NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
596721 |
2mti   |
19282 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! NOEs assigned by ARIA
assign (resid 109 and name HG22) (resid 91 and name HA) 3.265 3.265 1.832 weight 1.000 ! spec=HCH, no=4, id=1616, vol=9.020000e+06
or (resid 109 and name HG21) (resid 91 and name HA)
or (resid 109 and name HG23) (resid 91 and name HA)
assign (resid 103 and name HB2) (resid 63 and name HN) 3.264 3.264 1.831 weight 1.000 ! spec=HCH, no=7, id=1619, vol=9.030000e+06
or (resid 103 and name HB1) (resid 63 and name HN)
or (resid 103 and name HB3) (resid 63 and name HN)
assign (resid 29 and name HA) (resid 28 and name HA) 3.264 3.264 1.831 weight 1.000 ! spec=HCH, no=8, id=1620, vol=9.040000e+06
assign (resid 80 and name HG22) (resid 67 and name HN) 3.263 3.263 1.831 weight 1.000 ! spec=HCH, no=10, id=1622, vol=9.040000e+06
or (resid 80 and name HG21) (resid 67 and name HN)
or (resid 80 and name HG23) (resid 67 and name HN)
assign (resid 77 and name HB1) (resid 77 and name HA) 3.262 3.262 1.83 weight 1.000 ! spec=HCH, no=14, id=1626, vol=9.070000e+06
assign (resid 54 and name HD22) (resid 57 and name HN) 3.261 3.261 1.83 weight 1.000 ! spec=HCH, no=16, id=1628, vol=9.070000e+06
or (resid 54 and name HD21) (resid 57 and name HN)
or (resid 54 and name HD23) (resid 57 and name HN)
assign (resid 92 and name HG22) (resid 87 and name HB1) 3.260 3.260 1.829 weight 1.000 ! spec=HCH, no=19, id=1631, vol=9.090000e+06
or (resid 92 and name HG21) (resid 87 and name HB1)
or (resid 92 and name HG23) (resid 87 and name HB1)
assign (resid 113 and name HB2) (resid 112 and name HA) 3.259 3.259 1.827 weight 1.000 ! spec=HCH, no=21, id=1633, vol=9.120000e+06
assign (resid 123 and name HE22) (resid 43 and name HB1) 3.259 3.259 1.827 weight 1.000 ! spec=HCH, no=24, id=1636, vol=9.120000e+06
assign (resid 104 and name HD12) (resid 64 and name HE1) 3.258 3.258 1.827 weight 1.000 ! spec=HCH, no=26, id=1638, vol=9.120000e+06
or (resid 104 and name HD12) (resid 64 and name HE2)
or (resid 104 and name HD11) (resid 64 and name HE1)
or (resid 104 and name HD11) (resid 64 and name HE2)
or (resid 104 and name HD13) (resid 64 and name HE1)
or (resid 104 and name HD13) (resid 64 and name HE2)
assign (resid 60 and name HA) (resid 61 and name HA) 3.258 3.258 1.827 weight 1.000 ! spec=HCH, no=28, id=1640, vol=9.130000e+06
assign (resid 12 and name HB2) (resid 5 and name HA) 3.257 3.257 1.826 weight 1.000 ! spec=HCH, no=34, id=1646, vol=9.150000e+06
or (resid 12 and name HB1) (resid 5 and name HA)
assign (resid 69 and name HA) (resid 69 and name HD2) 3.257 3.257 1.826 weight 1.000 ! spec=HCH, no=35, id=1647, vol=9.150000e+06
assign (resid 13 and name HA) (resid 14 and name HB2) 3.256 3.256 1.826 weight 1.000 ! spec=HCH, no=38, id=1650, vol=9.160000e+06
or (resid 13 and name HA) (resid 14 and name HB1)
assign (resid 85 and name HD22) (resid 77 and name HE3) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=40, id=1652, vol=9.160000e+06
or (resid 85 and name HD21) (resid 77 and name HE3)
or (resid 85 and name HD23) (resid 77 and name HE3)
assign (resid 104 and name HG22) (resid 60 and name HN) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=42, id=1654, vol=9.160000e+06
or (resid 104 and name HG21) (resid 60 and name HN)
or (resid 104 and name HG23) (resid 60 and name HN)
assign (resid 49 and name HA) (resid 52 and name HD1) 3.256 3.256 1.825 weight 1.000 ! spec=HCH, no=43, id=1655, vol=9.170000e+06
or (resid 49 and name HA) (resid 52 and name HD2)
assign (resid 44 and name HD12) (resid 50 and name HN) 3.255 3.255 1.824 weight 1.000 ! spec=HCH, no=50, id=1662, vol=9.180000e+06
or (resid 44 and name HD11) (resid 50 and name HN)
or (resid 44 and name HD13) (resid 50 and name HN)
assign (resid 70 and name HA) (resid 71 and name HG21) 3.254 3.254 1.824 weight 1.000 ! spec=HCH, no=52, id=1664, vol=9.190000e+06
or (resid 70 and name HA) (resid 71 and name HG22)
or (resid 70 and name HA) (resid 71 and name HG23)
assign (resid 72 and name HB1) (resid 73 and name HB2) 3.254 3.254 1.824 weight 1.000 ! spec=HCH, no=54, id=1666, vol=9.190000e+06
or (resid 72 and name HB1) (resid 73 and name HB1)
assign (resid 10 and name HB2) (resid 10 and name HE3) 3.253 3.253 1.823 weight 1.000 ! spec=HCH, no=57, id=1669, vol=9.210000e+06
assign (resid 31 and name HA) (resid 34 and name HB2) 3.253 3.253 1.823 weight 1.000 ! spec=HCH, no=58, id=1670, vol=9.220000e+06
assign (resid 124 and name HB2) (resid 39 and name HA) 3.252 3.252 1.822 weight 1.000 ! spec=HCH, no=60, id=1672, vol=9.230000e+06
or (resid 39 and name HB1) (resid 40 and name HB)
or (resid 39 and name HB3) (resid 40 and name HB)
assign (resid 42 and name HA) (resid 121 and name HG22) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=66, id=1678, vol=9.260000e+06
or (resid 42 and name HA) (resid 121 and name HG21)
or (resid 42 and name HA) (resid 121 and name HG23)
assign (resid 119 and name HA) (resid 23 and name HA) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=67, id=1679, vol=9.260000e+06
assign (resid 80 and name HG22) (resid 79 and name HA) 3.250 3.250 1.82 weight 1.000 ! spec=HCH, no=68, id=1680, vol=9.270000e+06
or (resid 80 and name HG21) (resid 79 and name HA)
or (resid 80 and name HG23) (resid 79 and name HA)
assign (resid 41 and name HD22) (resid 27 and name HA) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=76, id=1688, vol=9.300000e+06
or (resid 41 and name HD21) (resid 27 and name HA)
or (resid 41 and name HD23) (resid 27 and name HA)
assign (resid 22 and name HA) (resid 119 and name HD2) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=77, id=1689, vol=9.300000e+06
assign (resid 103 and name HA) (resid 65 and name HE3) 3.248 3.248 1.819 weight 1.000 ! spec=HCH, no=78, id=1690, vol=9.300000e+06
assign (resid 60 and name HD2) (resid 57 and name HG22) 3.248 3.248 1.818 weight 1.000 ! spec=HCH, no=80, id=1692, vol=9.300000e+06
or (resid 60 and name HD2) (resid 57 and name HG21)
or (resid 60 and name HD2) (resid 57 and name HG23)
or (resid 60 and name HD1) (resid 57 and name HG22)
or (resid 60 and name HD1) (resid 57 and name HG21)
or (resid 60 and name HD1) (resid 57 and name HG23)
assign (resid 121 and name HG11) (resid 121 and name HA) 3.246 3.246 1.817 weight 1.000 ! spec=HCH, no=87, id=1699, vol=9.340000e+06
assign (resid 10 and name HB1) (resid 10 and name HE3) 3.244 3.244 1.815 weight 1.000 ! spec=HCH, no=95, id=1707, vol=9.370000e+06
assign (resid 120 and name HB2) (resid 21 and name HB2) 3.243 3.243 1.815 weight 1.000 ! spec=HCH, no=97, id=1709, vol=9.380000e+06
assign (resid 125 and name HG1) (resid 123 and name HE22) 3.241 3.241 1.813 weight 1.000 ! spec=HCH, no=102, id=1714, vol=9.420000e+06
assign (resid 44 and name HB) (resid 79 and name HZ2) 3.241 3.241 1.813 weight 1.000 ! spec=HCH, no=103, id=1715, vol=9.420000e+06
assign (resid 18 and name HN) (resid 10 and name HA) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=109, id=1721, vol=9.430000e+06
assign (resid 57 and name HA) (resid 58 and name HB2) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=110, id=1722, vol=9.440000e+06
or (resid 57 and name HA) (resid 58 and name HB1)
assign (resid 68 and name HD22) (resid 66 and name HG12) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=112, id=1724, vol=9.440000e+06
or (resid 68 and name HD21) (resid 66 and name HG12)
or (resid 68 and name HD23) (resid 66 and name HG12)
assign (resid 104 and name HG11) (resid 104 and name HA) 3.240 3.240 1.812 weight 1.000 ! spec=HCH, no=113, id=1725, vol=9.440000e+06
assign (resid 127 and name HB2) (resid 127 and name HE1) 3.239 3.239 1.811 weight 1.000 ! spec=HCH, no=116, id=1728, vol=9.460000e+06
or (resid 127 and name HB2) (resid 127 and name HE2)
assign (resid 33 and name HB1) (resid 30 and name HA1) 3.237 3.237 1.81 weight 1.000 ! spec=HCH, no=118, id=1730, vol=9.490000e+06
assign (resid 21 and name HB1) (resid 23 and name HN) 3.235 3.235 1.808 weight 1.000 ! spec=HCH, no=123, id=1735, vol=9.530000e+06
assign (resid 3 and name HA) (resid 3 and name HE2) 3.233 3.233 1.807 weight 1.000 ! spec=HCH, no=125, id=1737, vol=9.550000e+06
or (resid 3 and name HA) (resid 3 and name HE1)
assign (resid 52 and name HA) (resid 51 and name HB2) 3.231 3.231 1.805 weight 1.000 ! spec=HCH, no=130, id=1742, vol=9.590000e+06
or (resid 52 and name HA) (resid 51 and name HB1)
assign (resid 127 and name HB1) (resid 127 and name HE1) 3.231 3.231 1.805 weight 1.000 ! spec=HCH, no=132, id=1744, vol=9.600000e+06
or (resid 127 and name HB1) (resid 127 and name HE2)
assign (resid 80 and name HD12) (resid 81 and name HA) 3.229 3.229 1.804 weight 1.000 ! spec=HCH, no=136, id=1748, vol=9.630000e+06
or (resid 80 and name HD11) (resid 81 and name HA)
or (resid 80 and name HD13) (resid 81 and name HA)
assign (resid 78 and name HE2) (resid 71 and name HG21) 3.229 3.229 1.803 weight 1.000 ! spec=HCH, no=137, id=1749, vol=9.630000e+06
or (resid 78 and name HE2) (resid 71 and name HG22)
or (resid 78 and name HE2) (resid 71 and name HG23)
or (resid 78 and name HE1) (resid 71 and name HG21)
or (resid 78 and name HE1) (resid 71 and name HG22)
or (resid 78 and name HE1) (resid 71 and name HG23)
assign (resid 100 and name HN) (resid 100 and name HB2) 3.228 3.228 1.802 weight 1.000 ! spec=HCH, no=143, id=1755, vol=9.660000e+06
assign (resid 71 and name HA) (resid 69 and name HB2) 3.227 3.227 1.802 weight 1.000 ! spec=HCH, no=144, id=1756, vol=9.660000e+06
assign (resid 59 and name HB1) (resid 64 and name HZ) 3.227 3.227 1.802 weight 1.000 ! spec=HCH, no=146, id=1758, vol=9.670000e+06
assign (resid 126 and name HN) (resid 125 and name HG2) 3.226 3.226 1.801 weight 1.000 ! spec=HCH, no=149, id=1760, vol=9.680000e+06
assign (resid 50 and name HA) (resid 51 and name HN) 3.223 3.223 1.798 weight 1.000 ! spec=HCH, no=163, id=1774, vol=9.740000e+06
assign (resid 80 and name HG12) (resid 40 and name HB) 3.223 3.223 1.798 weight 1.000 ! spec=HCH, no=164, id=1775, vol=9.740000e+06
assign (resid 55 and name HN) (resid 54 and name HA) 3.222 3.222 1.798 weight 1.000 ! spec=HCH, no=165, id=1776, vol=9.750000e+06
assign (resid 83 and name HN) (resid 82 and name HA1) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=167, id=1778, vol=9.770000e+06
assign (resid 43 and name HG) (resid 43 and name HA) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=168, id=1779, vol=9.770000e+06
assign (resid 32 and name HA) (resid 31 and name HD12) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=170, id=1781, vol=9.780000e+06
or (resid 32 and name HA) (resid 31 and name HD11)
or (resid 32 and name HA) (resid 31 and name HD13)
assign (resid 122 and name HB1) (resid 19 and name HB1) 3.221 3.221 1.797 weight 1.000 ! spec=HCH, no=171, id=1782, vol=9.780000e+06
assign (resid 28 and name HG1) (resid 27 and name HB2) 3.220 3.220 1.796 weight 1.000 ! spec=HCH, no=172, id=1783, vol=9.800000e+06
assign (resid 13 and name HA) (resid 18 and name HE1) 3.220 3.220 1.796 weight 1.000 ! spec=HCH, no=173, id=1784, vol=9.800000e+06
or (resid 13 and name HA) (resid 18 and name HE2)
assign (resid 103 and name HA) (resid 103 and name HN) 3.219 3.219 1.795 weight 1.000 ! spec=HCH, no=177, id=1788, vol=9.820000e+06
assign (resid 10 and name HB1) (resid 6 and name HB1) 3.218 3.218 1.794 weight 1.000 ! spec=HCH, no=181, id=1792, vol=9.840000e+06
assign (resid 17 and name HB2) (resid 6 and name HB1) 3.217 3.217 1.794 weight 1.000 ! spec=HCH, no=182, id=1793, vol=9.840000e+06
assign (resid 54 and name HN) (resid 104 and name HD12) 3.216 3.216 1.793 weight 1.000 ! spec=HCH, no=184, id=1795, vol=9.860000e+06
or (resid 54 and name HN) (resid 104 and name HD11)
or (resid 54 and name HN) (resid 104 and name HD13)
assign (resid 124 and name HE2) (resid 7 and name HG1) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=189, id=1800, vol=9.900000e+06
or (resid 124 and name HE1) (resid 7 and name HG1)
assign (resid 125 and name HG1) (resid 123 and name HE21) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=190, id=1801, vol=9.910000e+06
assign (resid 112 and name HG2) (resid 112 and name HA) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=191, id=1802, vol=9.910000e+06
assign (resid 29 and name HN) (resid 28 and name HB2) 3.214 3.214 1.791 weight 1.000 ! spec=HCH, no=192, id=1803, vol=9.910000e+06
assign (resid 123 and name HB2) (resid 42 and name HA) 3.213 3.213 1.791 weight 1.000 ! spec=HCH, no=194, id=1805, vol=9.920000e+06
assign (resid 78 and name HN) (resid 78 and name HG2) 3.213 3.213 1.79 weight 1.000 ! spec=HCH, no=195, id=1806, vol=9.930000e+06
assign (resid 89 and name HB) (resid 90 and name HG) 3.212 3.212 1.79 weight 1.000 ! spec=HCH, no=196, id=1807, vol=9.940000e+06
assign (resid 44 and name HD12) (resid 43 and name HA) 3.211 3.211 1.789 weight 1.000 ! spec=HCH, no=203, id=1814, vol=9.970000e+06
or (resid 44 and name HD11) (resid 43 and name HA)
or (resid 44 and name HD13) (resid 43 and name HA)
assign (resid 123 and name HA) (resid 18 and name HD1) 3.209 3.209 1.787 weight 1.000 ! spec=HCH, no=207, id=1818, vol=1.000000e+07
or (resid 123 and name HA) (resid 18 and name HD2)
assign (resid 102 and name HB2) (resid 111 and name HB1) 3.207 3.207 1.786 weight 1.000 ! spec=HCH, no=211, id=1822, vol=1.000000e+07
or (resid 102 and name HB1) (resid 111 and name HB1)
or (resid 102 and name HB3) (resid 111 and name HB1)
assign (resid 37 and name HN) (resid 36 and name HA2) 3.206 3.206 1.784 weight 1.000 ! spec=HCH, no=216, id=1827, vol=1.010000e+07
assign (resid 45 and name HN) (resid 45 and name HG1) 3.205 3.205 1.784 weight 1.000 ! spec=HCH, no=222, id=1833, vol=1.010000e+07
assign (resid 121 and name HG22) (resid 122 and name HA) 3.204 3.204 1.783 weight 1.000 ! spec=HCH, no=223, id=1834, vol=1.010000e+07
or (resid 121 and name HG21) (resid 122 and name HA)
or (resid 121 and name HG23) (resid 122 and name HA)
assign (resid 28 and name HA) (resid 31 and name HG) 3.204 3.204 1.783 weight 1.000 ! spec=HCH, no=226, id=1837, vol=1.010000e+07
assign (resid 126 and name HA) (resid 125 and name HG2) 3.203 3.203 1.782 weight 1.000 ! spec=HCH, no=230, id=1841, vol=1.010000e+07
assign (resid 123 and name HG1) (resid 16 and name HB1) 3.202 3.202 1.782 weight 1.000 ! spec=HCH, no=232, id=1843, vol=1.010000e+07
assign (resid 5 and name HN) (resid 5 and name HB2) 3.201 3.201 1.781 weight 1.000 ! spec=HCH, no=236, id=1847, vol=1.010000e+07
assign (resid 51 and name HA) (resid 53 and name HB2) 3.200 3.200 1.78 weight 1.000 ! spec=HCH, no=241, id=1852, vol=1.020000e+07
assign (resid 16 and name HG2) (resid 125 and name HA) 3.200 3.200 1.78 weight 1.000 ! spec=HCH, no=242, id=1853, vol=1.020000e+07
assign (resid 104 and name HB) (resid 104 and name HA) 3.199 3.199 1.779 weight 1.000 ! spec=HCH, no=245, id=1856, vol=1.020000e+07
assign (resid 124 and name HB1) (resid 17 and name HB1) 3.197 3.197 1.778 weight 1.000 ! spec=HCH, no=252, id=1863, vol=1.020000e+07
assign (resid 111 and name HA) (resid 111 and name HD1) 3.197 3.197 1.778 weight 1.000 ! spec=HCH, no=256, id=1867, vol=1.020000e+07
or (resid 111 and name HA) (resid 111 and name HD2)
assign (resid 124 and name HB1) (resid 124 and name HA) 3.196 3.196 1.777 weight 1.000 ! spec=HCH, no=261, id=1872, vol=1.020000e+07
assign (resid 23 and name HN) (resid 22 and name HB1) 3.196 3.196 1.777 weight 1.000 ! spec=HCH, no=263, id=1874, vol=1.030000e+07
assign (resid 23 and name HA) (resid 120 and name HZ3) 3.192 3.192 1.774 weight 1.000 ! spec=HCH, no=270, id=1879, vol=1.030000e+07
assign (resid 101 and name HA) (resid 101 and name HN) 3.192 3.192 1.774 weight 1.000 ! spec=HCH, no=271, id=1880, vol=1.030000e+07
assign (resid 113 and name HB2) (resid 114 and name HN) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=273, id=1882, vol=1.030000e+07
assign (resid 24 and name HB2) (resid 119 and name HG1) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=274, id=1883, vol=1.030000e+07
assign (resid 45 and name HN) (resid 45 and name HG2) 3.191 3.191 1.773 weight 1.000 ! spec=HCH, no=276, id=1885, vol=1.030000e+07
assign (resid 54 and name HD22) (resid 64 and name HE1) 3.190 3.190 1.772 weight 1.000 ! spec=HCH, no=280, id=1889, vol=1.040000e+07
or (resid 54 and name HD22) (resid 64 and name HE2)
or (resid 54 and name HD21) (resid 64 and name HE1)
or (resid 54 and name HD21) (resid 64 and name HE2)
or (resid 54 and name HD23) (resid 64 and name HE1)
or (resid 54 and name HD23) (resid 64 and name HE2)
assign (resid 7 and name HG2) (resid 7 and name HA) 3.189 3.189 1.772 weight 1.000 ! spec=HCH, no=281, id=1890, vol=1.040000e+07
assign (resid 80 and name HD12) (resid 31 and name HA) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=282, id=1891, vol=1.040000e+07
or (resid 80 and name HD11) (resid 31 and name HA)
or (resid 80 and name HD13) (resid 31 and name HA)
assign (resid 111 and name HA) (resid 103 and name HN) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=286, id=1895, vol=1.040000e+07
assign (resid 80 and name HD12) (resid 34 and name HB1) 3.189 3.189 1.771 weight 1.000 ! spec=HCH, no=287, id=1896, vol=1.040000e+07
or (resid 80 and name HD11) (resid 34 and name HB1)
or (resid 80 and name HD13) (resid 34 and name HB1)
assign (resid 66 and name HA) (resid 121 and name HB) 3.188 3.188 1.771 weight 1.000 ! spec=HCH, no=289, id=1898, vol=1.040000e+07
assign (resid 121 and name HD12) (resid 42 and name HG1) 3.186 3.186 1.768 weight 1.000 ! spec=HCH, no=297, id=1906, vol=1.040000e+07
or (resid 121 and name HD11) (resid 42 and name HG1)
or (resid 121 and name HD13) (resid 42 and name HG1)
assign (resid 124 and name HB2) (resid 124 and name HD1) 3.185 3.185 1.768 weight 1.000 ! spec=HCH, no=299, id=1908, vol=1.050000e+07
assign (resid 39 and name HA) (resid 124 and name HA) 3.184 3.184 1.768 weight 1.000 ! spec=HCH, no=300, id=1909, vol=1.050000e+07
assign (resid 70 and name HA) (resid 70 and name HB1) 3.184 3.184 1.767 weight 1.000 ! spec=HCH, no=301, id=1910, vol=1.050000e+07
assign (resid 108 and name HB2) (resid 108 and name HE2) 3.183 3.183 1.767 weight 1.000 ! spec=HCH, no=304, id=1913, vol=1.050000e+07
or (resid 108 and name HB2) (resid 108 and name HE1)
or (resid 108 and name HB1) (resid 108 and name HE2)
or (resid 108 and name HB1) (resid 108 and name HE1)
assign (resid 53 and name HB2) (resid 50 and name HA) 3.183 3.183 1.766 weight 1.000 ! spec=HCH, no=305, id=1914, vol=1.050000e+07
assign (resid 126 and name HD22) (resid 17 and name HN) 3.183 3.183 1.766 weight 1.000 ! spec=HCH, no=307, id=1916, vol=1.050000e+07
or (resid 126 and name HD21) (resid 17 and name HN)
or (resid 126 and name HD23) (resid 17 and name HN)
assign (resid 64 and name HB1) (resid 121 and name HB) 3.182 3.182 1.766 weight 1.000 ! spec=HCH, no=310, id=1919, vol=1.050000e+07
assign (resid 41 and name HN) (resid 41 and name HG) 3.181 3.181 1.765 weight 1.000 ! spec=HCH, no=315, id=1924, vol=1.050000e+07
assign (resid 12 and name HB2) (resid 17 and name HA) 3.180 3.180 1.764 weight 1.000 ! spec=HCH, no=319, id=1928, vol=1.060000e+07
or (resid 12 and name HB1) (resid 17 and name HA)
assign (resid 16 and name HN) (resid 16 and name HB1) 3.179 3.179 1.763 weight 1.000 ! spec=HCH, no=323, id=1931, vol=1.060000e+07
assign (resid 121 and name HD12) (resid 20 and name HA) 3.178 3.178 1.763 weight 1.000 ! spec=HCH, no=324, id=1932, vol=1.060000e+07
or (resid 121 and name HD11) (resid 20 and name HA)
or (resid 121 and name HD13) (resid 20 and name HA)
assign (resid 108 and name HG1) (resid 108 and name HA) 3.178 3.178 1.762 weight 1.000 ! spec=HCH, no=327, id=1935, vol=1.060000e+07
assign (resid 19 and name HA) (resid 10 and name HA) 3.175 3.175 1.76 weight 1.000 ! spec=HCH, no=332, id=1940, vol=1.070000e+07
assign (resid 29 and name HN) (resid 26 and name HG21) 3.174 3.174 1.759 weight 1.000 ! spec=HCH, no=334, id=1942, vol=1.070000e+07
or (resid 29 and name HN) (resid 26 and name HG22)
or (resid 29 and name HN) (resid 26 and name HG23)
assign (resid 111 and name HB1) (resid 102 and name HA) 3.171 3.171 1.757 weight 1.000 ! spec=HCH, no=339, id=1947, vol=1.070000e+07
assign (resid 57 and name HD12) (resid 53 and name HA) 3.171 3.171 1.757 weight 1.000 ! spec=HCH, no=340, id=1948, vol=1.070000e+07
or (resid 57 and name HD11) (resid 53 and name HA)
or (resid 57 and name HD13) (resid 53 and name HA)
assign (resid 24 and name HB1) (resid 25 and name HA) 3.170 3.170 1.756 weight 1.000 ! spec=HCH, no=341, id=1949, vol=1.080000e+07
assign (resid 104 and name HG12) (resid 104 and name HA) 3.170 3.170 1.756 weight 1.000 ! spec=HCH, no=342, id=1950, vol=1.080000e+07
assign (resid 49 and name HB1) (resid 50 and name HN) 3.169 3.169 1.755 weight 1.000 ! spec=HCH, no=344, id=1952, vol=1.080000e+07
assign (resid 54 and name HA) (resid 104 and name HG22) 3.169 3.169 1.755 weight 1.000 ! spec=HCH, no=346, id=1954, vol=1.080000e+07
or (resid 54 and name HA) (resid 104 and name HG21)
or (resid 54 and name HA) (resid 104 and name HG23)
assign (resid 119 and name HD2) (resid 62 and name HB2) 3.168 3.168 1.754 weight 1.000 ! spec=HCH, no=350, id=1958, vol=1.080000e+07
or (resid 119 and name HD2) (resid 62 and name HB1)
assign (resid 102 and name HB2) (resid 109 and name HB) 3.167 3.167 1.754 weight 1.000 ! spec=HCH, no=354, id=1962, vol=1.080000e+07
or (resid 102 and name HB1) (resid 109 and name HB)
or (resid 102 and name HB3) (resid 109 and name HB)
assign (resid 81 and name HN) (resid 80 and name HG22) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=355, id=1963, vol=1.080000e+07
or (resid 81 and name HN) (resid 80 and name HG21)
or (resid 81 and name HN) (resid 80 and name HG23)
assign (resid 44 and name HG12) (resid 42 and name HG1) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=356, id=1964, vol=1.080000e+07
assign (resid 43 and name HA) (resid 79 and name HB2) 3.166 3.166 1.753 weight 1.000 ! spec=HCH, no=357, id=1965, vol=1.080000e+07
assign (resid 14 and name HD2) (resid 13 and name HD2) 3.165 3.165 1.752 weight 1.000 ! spec=HCH, no=359, id=1967, vol=1.090000e+07
or (resid 14 and name HD1) (resid 13 and name HD2)
assign (resid 74 and name HB2) (resid 74 and name HN) 3.163 3.163 1.751 weight 1.000 ! spec=HCH, no=363, id=1971, vol=1.090000e+07
assign (resid 27 and name HB1) (resid 27 and name HD1) 3.163 3.163 1.751 weight 1.000 ! spec=HCH, no=364, id=1972, vol=1.090000e+07
assign (resid 25 and name HA) (resid 29 and name HB2) 3.163 3.163 1.75 weight 1.000 ! spec=HCH, no=365, id=1973, vol=1.090000e+07
or (resid 25 and name HA) (resid 29 and name HB1)
assign (resid 54 and name HD22) (resid 53 and name HA) 3.159 3.159 1.748 weight 1.000 ! spec=HCH, no=371, id=1979, vol=1.100000e+07
or (resid 54 and name HD21) (resid 53 and name HA)
or (resid 54 and name HD23) (resid 53 and name HA)
assign (resid 126 and name HN) (resid 125 and name HB1) 3.159 3.159 1.747 weight 1.000 ! spec=HCH, no=372, id=1980, vol=1.100000e+07
assign (resid 80 and name HD12) (resid 81 and name HB1) 3.159 3.159 1.747 weight 1.000 ! spec=HCH, no=373, id=1981, vol=1.100000e+07
or (resid 80 and name HD11) (resid 81 and name HB1)
or (resid 80 and name HD13) (resid 81 and name HB1)
assign (resid 108 and name HN) (resid 108 and name HG1) 3.158 3.158 1.747 weight 1.000 ! spec=HCH, no=375, id=1983, vol=1.100000e+07
assign (resid 122 and name HB2) (resid 10 and name HH2) 3.158 3.158 1.747 weight 1.000 ! spec=HCH, no=376, id=1984, vol=1.100000e+07
assign (resid 123 and name HA) (resid 10 and name HZ3) 3.158 3.158 1.746 weight 1.000 ! spec=HCH, no=378, id=1986, vol=1.100000e+07
assign (resid 10 and name HB2) (resid 6 and name HB2) 3.157 3.157 1.746 weight 1.000 ! spec=HCH, no=379, id=1987, vol=1.100000e+07
assign (resid 13 and name HA) (resid 13 and name HD2) 3.156 3.156 1.745 weight 1.000 ! spec=HCH, no=383, id=1991, vol=1.100000e+07
assign (resid 19 and name HA) (resid 121 and name HG22) 3.154 3.154 1.744 weight 1.000 ! spec=HCH, no=388, id=1996, vol=1.110000e+07
or (resid 19 and name HA) (resid 121 and name HG21)
or (resid 19 and name HA) (resid 121 and name HG23)
assign (resid 41 and name HB1) (resid 67 and name HA2) 3.154 3.154 1.743 weight 1.000 ! spec=HCH, no=390, id=1998, vol=1.110000e+07
assign (resid 45 and name HB1) (resid 46 and name HN) 3.153 3.153 1.743 weight 1.000 ! spec=HCH, no=392, id=2000, vol=1.110000e+07
assign (resid 25 and name HA) (resid 120 and name HZ3) 3.152 3.152 1.742 weight 1.000 ! spec=HCH, no=396, id=2004, vol=1.110000e+07
assign (resid 41 and name HD22) (resid 68 and name HN) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=399, id=2007, vol=1.110000e+07
or (resid 41 and name HD21) (resid 68 and name HN)
or (resid 41 and name HD23) (resid 68 and name HN)
assign (resid 121 and name HG12) (resid 64 and name HB2) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=400, id=2008, vol=1.120000e+07
assign (resid 42 and name HB1) (resid 42 and name HA) 3.151 3.151 1.741 weight 1.000 ! spec=HCH, no=401, id=2009, vol=1.120000e+07
assign (resid 41 and name HA) (resid 42 and name HB1) 3.149 3.149 1.74 weight 1.000 ! spec=HCH, no=404, id=2012, vol=1.120000e+07
assign (resid 22 and name HA) (resid 119 and name HD1) 3.149 3.149 1.74 weight 1.000 ! spec=HCH, no=406, id=2014, vol=1.120000e+07
assign (resid 80 and name HB) (resid 43 and name HD12) 3.148 3.148 1.739 weight 1.000 ! spec=HCH, no=410, id=2018, vol=1.120000e+07
or (resid 80 and name HB) (resid 43 and name HD11)
or (resid 80 and name HB) (resid 43 and name HD13)
assign (resid 53 and name HD12) (resid 20 and name HA) 3.148 3.148 1.738 weight 1.000 ! spec=HCH, no=413, id=2021, vol=1.120000e+07
or (resid 53 and name HD11) (resid 20 and name HA)
or (resid 53 and name HD13) (resid 20 and name HA)
assign (resid 10 and name HB2) (resid 17 and name HB1) 3.148 3.148 1.738 weight 1.000 ! spec=HCH, no=414, id=2022, vol=1.120000e+07
assign (resid 44 and name HD12) (resid 49 and name HB1) 3.147 3.147 1.738 weight 1.000 ! spec=HCH, no=416, id=2024, vol=1.120000e+07
or (resid 44 and name HD11) (resid 49 and name HB1)
or (resid 44 and name HD13) (resid 49 and name HB1)
assign (resid 10 and name HB1) (resid 10 and name HA) 3.147 3.147 1.738 weight 1.000 ! spec=HCH, no=419, id=2027, vol=1.120000e+07
assign (resid 49 and name HB2) (resid 46 and name HN) 3.146 3.146 1.737 weight 1.000 ! spec=HCH, no=421, id=2029, vol=1.130000e+07
assign (resid 68 and name HD22) (resid 77 and name HA) 3.145 3.145 1.736 weight 1.000 ! spec=HCH, no=427, id=2035, vol=1.130000e+07
or (resid 68 and name HD21) (resid 77 and name HA)
or (resid 68 and name HD23) (resid 77 and name HA)
assign (resid 101 and name HB1) (resid 114 and name HA) 3.145 3.145 1.736 weight 1.000 ! spec=HCH, no=430, id=2038, vol=1.130000e+07
assign (resid 37 and name HD2) (resid 34 and name HA) 3.144 3.144 1.736 weight 1.000 ! spec=HCH, no=432, id=2040, vol=1.130000e+07
assign (resid 42 and name HB2) (resid 42 and name HA) 3.143 3.143 1.735 weight 1.000 ! spec=HCH, no=433, id=2041, vol=1.130000e+07
assign (resid 115 and name HA) (resid 27 and name HN) 3.143 3.143 1.735 weight 1.000 ! spec=HCH, no=436, id=2044, vol=1.130000e+07
assign (resid 88 and name HB2) (resid 89 and name HG12) 3.142 3.142 1.734 weight 1.000 ! spec=HCH, no=439, id=2047, vol=1.130000e+07
or (resid 88 and name HB2) (resid 89 and name HG11)
or (resid 88 and name HB2) (resid 89 and name HG13)
or (resid 88 and name HB1) (resid 89 and name HG12)
or (resid 88 and name HB1) (resid 89 and name HG11)
or (resid 88 and name HB1) (resid 89 and name HG13)
assign (resid 24 and name HA) (resid 119 and name HB2) 3.142 3.142 1.734 weight 1.000 ! spec=HCH, no=440, id=2048, vol=1.130000e+07
assign (resid 45 and name HB2) (resid 46 and name HN) 3.141 3.141 1.733 weight 1.000 ! spec=HCH, no=442, id=2050, vol=1.140000e+07
assign (resid 37 and name HG2) (resid 37 and name HB2) 3.140 3.140 1.733 weight 1.000 ! spec=HCH, no=445, id=2053, vol=1.140000e+07
assign (resid 28 and name HB1) (resid 29 and name HN) 3.140 3.140 1.732 weight 1.000 ! spec=HCH, no=448, id=2056, vol=1.140000e+07
assign (resid 93 and name HA) (resid 95 and name HN) 3.139 3.139 1.732 weight 1.000 ! spec=HCH, no=450, id=2058, vol=1.140000e+07
assign (resid 67 and name HA1) (resid 43 and name HD12) 3.138 3.138 1.731 weight 1.000 ! spec=HCH, no=451, id=2059, vol=1.140000e+07
or (resid 67 and name HA1) (resid 43 and name HD11)
or (resid 67 and name HA1) (resid 43 and name HD13)
assign (resid 135 and name HA) (resid 135 and name HB) 3.138 3.138 1.731 weight 1.000 ! spec=HCH, no=453, id=2061, vol=1.140000e+07
assign (resid 123 and name HG1) (resid 42 and name HA) 3.134 3.134 1.728 weight 1.000 ! spec=HCH, no=467, id=2075, vol=1.150000e+07
assign (resid 89 and name HG12) (resid 47 and name HN) 3.134 3.134 1.727 weight 1.000 ! spec=HCH, no=469, id=2077, vol=1.150000e+07
or (resid 89 and name HG11) (resid 47 and name HN)
or (resid 89 and name HG13) (resid 47 and name HN)
assign (resid 81 and name HA) (resid 80 and name HG11) 3.134 3.134 1.727 weight 1.000 ! spec=HCH, no=470, id=2078, vol=1.150000e+07
assign (resid 81 and name HA) (resid 43 and name HD22) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=471, id=2079, vol=1.150000e+07
or (resid 81 and name HA) (resid 43 and name HD21)
or (resid 81 and name HA) (resid 43 and name HD23)
assign (resid 134 and name HB2) (resid 136 and name HA2) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=472, id=2080, vol=1.150000e+07
or (resid 134 and name HB1) (resid 136 and name HA2)
assign (resid 93 and name HG21) (resid 111 and name HE1) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=473, id=2081, vol=1.150000e+07
or (resid 93 and name HG21) (resid 111 and name HE2)
or (resid 93 and name HG22) (resid 111 and name HE1)
or (resid 93 and name HG22) (resid 111 and name HE2)
or (resid 93 and name HG23) (resid 111 and name HE1)
or (resid 93 and name HG23) (resid 111 and name HE2)
assign (resid 16 and name HG1) (resid 15 and name HB2) 3.133 3.133 1.727 weight 1.000 ! spec=HCH, no=474, id=2082, vol=1.150000e+07
assign (resid 49 and name HB1) (resid 46 and name HN) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=475, id=2083, vol=1.160000e+07
assign (resid 20 and name HB) (resid 19 and name HA) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=476, id=2084, vol=1.160000e+07
assign (resid 64 and name HB2) (resid 20 and name HG12) 3.132 3.132 1.726 weight 1.000 ! spec=HCH, no=477, id=2085, vol=1.160000e+07
or (resid 64 and name HB2) (resid 20 and name HG11)
or (resid 64 and name HB2) (resid 20 and name HG13)
assign (resid 47 and name HN) (resid 47 and name HA) 3.130 3.130 1.725 weight 1.000 ! spec=HCH, no=481, id=2089, vol=1.160000e+07
assign (resid 96 and name HA) (resid 97 and name HG2) 3.130 3.130 1.725 weight 1.000 ! spec=HCH, no=484, id=2092, vol=1.160000e+07
assign (resid 90 and name HN) (resid 50 and name HD12) 3.129 3.129 1.724 weight 1.000 ! spec=HCH, no=490, id=2098, vol=1.160000e+07
or (resid 90 and name HN) (resid 50 and name HD11)
or (resid 90 and name HN) (resid 50 and name HD13)
assign (resid 10 and name HB2) (resid 10 and name HA) 3.128 3.128 1.723 weight 1.000 ! spec=HCH, no=495, id=2103, vol=1.160000e+07
assign (resid 121 and name HG11) (resid 64 and name HB1) 3.127 3.127 1.722 weight 1.000 ! spec=HCH, no=500, id=2108, vol=1.170000e+07
assign (resid 119 and name HD2) (resid 64 and name HD1) 3.126 3.126 1.722 weight 1.000 ! spec=HCH, no=503, id=2111, vol=1.170000e+07
or (resid 119 and name HD2) (resid 64 and name HD2)
assign (resid 37 and name HE2) (resid 19 and name HB2) 3.126 3.126 1.721 weight 1.000 ! spec=HCH, no=504, id=2112, vol=1.170000e+07
or (resid 37 and name HE1) (resid 19 and name HB2)
assign (resid 125 and name HN) (resid 124 and name HB2) 3.126 3.126 1.721 weight 1.000 ! spec=HCH, no=507, id=2115, vol=1.170000e+07
assign (resid 49 and name HB2) (resid 50 and name HN) 3.125 3.125 1.721 weight 1.000 ! spec=HCH, no=508, id=2116, vol=1.170000e+07
assign (resid 20 and name HG22) (resid 18 and name HD1) 3.124 3.124 1.72 weight 1.000 ! spec=HCH, no=510, id=2118, vol=1.170000e+07
or (resid 20 and name HG22) (resid 18 and name HD2)
or (resid 20 and name HG21) (resid 18 and name HD1)
or (resid 20 and name HG21) (resid 18 and name HD2)
or (resid 20 and name HG23) (resid 18 and name HD1)
or (resid 20 and name HG23) (resid 18 and name HD2)
assign (resid 66 and name HG12) (resid 66 and name HB) 3.124 3.124 1.72 weight 1.000 ! spec=HCH, no=512, id=2120, vol=1.180000e+07
assign (resid 114 and name HB1) (resid 114 and name HA) 3.123 3.123 1.719 weight 1.000 ! spec=HCH, no=513, id=2121, vol=1.180000e+07
assign (resid 104 and name HN) (resid 104 and name HG11) 3.122 3.122 1.718 weight 1.000 ! spec=HCH, no=515, id=2123, vol=1.180000e+07
assign (resid 49 and name HG1) (resid 42 and name HE2) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=519, id=2127, vol=1.180000e+07
or (resid 49 and name HG1) (resid 42 and name HE1)
or (resid 49 and name HG1) (resid 42 and name HE3)
assign (resid 85 and name HD12) (resid 77 and name HE3) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=520, id=2128, vol=1.180000e+07
or (resid 85 and name HD11) (resid 77 and name HE3)
or (resid 85 and name HD13) (resid 77 and name HE3)
assign (resid 39 and name HB2) (resid 123 and name HA) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=521, id=2129, vol=1.180000e+07
or (resid 39 and name HB1) (resid 123 and name HA)
or (resid 39 and name HB3) (resid 123 and name HA)
assign (resid 121 and name HG12) (resid 121 and name HA) 3.120 3.120 1.717 weight 1.000 ! spec=HCH, no=522, id=2130, vol=1.180000e+07
assign (resid 92 and name HA) (resid 110 and name HA) 3.119 3.119 1.716 weight 1.000 ! spec=HCH, no=526, id=2134, vol=1.190000e+07
assign (resid 44 and name HA) (resid 45 and name HB2) 3.118 3.118 1.715 weight 1.000 ! spec=HCH, no=532, id=2140, vol=1.190000e+07
assign (resid 117 and name HB2) (resid 116 and name HA) 3.117 3.117 1.714 weight 1.000 ! spec=HCH, no=534, id=2142, vol=1.190000e+07
or (resid 117 and name HB1) (resid 116 and name HA)
assign (resid 66 and name HA) (resid 66 and name HG12) 3.116 3.116 1.713 weight 1.000 ! spec=HCH, no=539, id=2147, vol=1.190000e+07
assign (resid 57 and name HN) (resid 54 and name HA) 3.116 3.116 1.713 weight 1.000 ! spec=HCH, no=540, id=2148, vol=1.190000e+07
assign (resid 107 and name HN) (resid 107 and name HB2) 3.115 3.115 1.713 weight 1.000 ! spec=HCH, no=541, id=2149, vol=1.190000e+07
assign (resid 50 and name HA) (resid 104 and name HD12) 3.114 3.114 1.712 weight 1.000 ! spec=HCH, no=546, id=2154, vol=1.200000e+07
or (resid 50 and name HA) (resid 104 and name HD11)
or (resid 50 and name HA) (resid 104 and name HD13)
assign (resid 118 and name HN) (resid 24 and name HB1) 3.114 3.114 1.712 weight 1.000 ! spec=HCH, no=547, id=2155, vol=1.200000e+07
assign (resid 33 and name HA) (resid 36 and name HA1) 3.112 3.112 1.711 weight 1.000 ! spec=HCH, no=554, id=2162, vol=1.200000e+07
assign (resid 96 and name HG21) (resid 70 and name HD1) 3.112 3.112 1.71 weight 1.000 ! spec=HCH, no=556, id=2164, vol=1.200000e+07
or (resid 96 and name HG21) (resid 70 and name HD2)
or (resid 96 and name HG22) (resid 70 and name HD1)
or (resid 96 and name HG22) (resid 70 and name HD2)
or (resid 96 and name HG23) (resid 70 and name HD1)
or (resid 96 and name HG23) (resid 70 and name HD2)
assign (resid 57 and name HG11) (resid 104 and name HG11) 3.110 3.110 1.709 weight 1.000 ! spec=HCH, no=558, id=2166, vol=1.210000e+07
assign (resid 59 and name HB2) (resid 64 and name HZ) 3.110 3.110 1.709 weight 1.000 ! spec=HCH, no=561, id=2169, vol=1.210000e+07
assign (resid 11 and name HD12) (resid 10 and name HA) 3.108 3.108 1.708 weight 1.000 ! spec=HCH, no=562, id=2170, vol=1.210000e+07
or (resid 11 and name HD11) (resid 10 and name HA)
or (resid 11 and name HD13) (resid 10 and name HA)
assign (resid 18 and name HB2) (resid 11 and name HD22) 3.108 3.108 1.707 weight 1.000 ! spec=HCH, no=563, id=2171, vol=1.210000e+07
or (resid 18 and name HB2) (resid 11 and name HD21)
or (resid 18 and name HB2) (resid 11 and name HD23)
assign (resid 100 and name HB2) (resid 111 and name HB2) 3.107 3.107 1.707 weight 1.000 ! spec=HCH, no=564, id=2172, vol=1.210000e+07
assign (resid 7 and name HA) (resid 6 and name HA) 3.107 3.107 1.707 weight 1.000 ! spec=HCH, no=566, id=2174, vol=1.210000e+07
assign (resid 41 and name HN) (resid 41 and name HA) 3.107 3.107 1.706 weight 1.000 ! spec=HCH, no=569, id=2177, vol=1.210000e+07
assign (resid 18 and name HB2) (resid 18 and name HN) 3.106 3.106 1.706 weight 1.000 ! spec=HCH, no=572, id=2180, vol=1.220000e+07
assign (resid 115 and name HN) (resid 115 and name HB2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=575, id=2183, vol=1.220000e+07
assign (resid 134 and name HB2) (resid 133 and name HA) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=576, id=2184, vol=1.220000e+07
or (resid 134 and name HB1) (resid 133 and name HA)
assign (resid 91 and name HA) (resid 92 and name HG11) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=577, id=2185, vol=1.220000e+07
assign (resid 37 and name HD2) (resid 37 and name HB2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=578, id=2186, vol=1.220000e+07
assign (resid 44 and name HG12) (resid 79 and name HH2) 3.105 3.105 1.705 weight 1.000 ! spec=HCH, no=581, id=2189, vol=1.220000e+07
assign (resid 100 and name HB1) (resid 70 and name HB2) 3.104 3.104 1.704 weight 1.000 ! spec=HCH, no=583, id=2191, vol=1.220000e+07
assign (resid 7 and name HD2) (resid 7 and name HB1) 3.101 3.101 1.702 weight 1.000 ! spec=HCH, no=587, id=2195, vol=1.230000e+07
assign (resid 39 and name HB2) (resid 35 and name HA) 3.100 3.100 1.701 weight 1.000 ! spec=HCH, no=591, id=2199, vol=1.230000e+07
or (resid 39 and name HB1) (resid 35 and name HA)
or (resid 39 and name HB3) (resid 35 and name HA)
assign (resid 57 and name HG22) (resid 60 and name HE2) 3.099 3.099 1.701 weight 1.000 ! spec=HCH, no=595, id=2203, vol=1.230000e+07
or (resid 57 and name HG22) (resid 60 and name HE1)
or (resid 57 and name HG21) (resid 60 and name HE2)
or (resid 57 and name HG21) (resid 60 and name HE1)
or (resid 57 and name HG23) (resid 60 and name HE2)
or (resid 57 and name HG23) (resid 60 and name HE1)
assign (resid 54 and name HA) (resid 57 and name HG22) 3.099 3.099 1.7 weight 1.000 ! spec=HCH, no=599, id=2207, vol=1.230000e+07
or (resid 54 and name HA) (resid 57 and name HG21)
or (resid 54 and name HA) (resid 57 and name HG23)
assign (resid 72 and name HA) (resid 74 and name HN) 3.098 3.098 1.699 weight 1.000 ! spec=HCH, no=601, id=2209, vol=1.240000e+07
assign (resid 3 and name HA) (resid 4 and name HD12) 3.098 3.098 1.699 weight 1.000 ! spec=HCH, no=602, id=2210, vol=1.240000e+07
or (resid 3 and name HA) (resid 4 and name HD11)
or (resid 3 and name HA) (resid 4 and name HD13)
assign (resid 41 and name HD12) (resid 65 and name HD1) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=603, id=2211, vol=1.240000e+07
or (resid 41 and name HD11) (resid 65 and name HD1)
or (resid 41 and name HD13) (resid 65 and name HD1)
assign (resid 44 and name HG12) (resid 44 and name HA) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=606, id=2214, vol=1.240000e+07
assign (resid 12 and name HB2) (resid 6 and name HB1) 3.097 3.097 1.699 weight 1.000 ! spec=HCH, no=607, id=2215, vol=1.240000e+07
or (resid 12 and name HB1) (resid 6 and name HB1)
assign (resid 104 and name HN) (resid 104 and name HG12) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=610, id=2218, vol=1.240000e+07
assign (resid 27 and name HA) (resid 27 and name HD1) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=611, id=2219, vol=1.240000e+07
assign (resid 112 and name HG1) (resid 112 and name HA) 3.096 3.096 1.698 weight 1.000 ! spec=HCH, no=612, id=2220, vol=1.240000e+07
assign (resid 27 and name HB2) (resid 27 and name HE3) 3.095 3.095 1.698 weight 1.000 ! spec=HCH, no=614, id=2222, vol=1.240000e+07
assign (resid 63 and name HA) (resid 105 and name HB2) 3.095 3.095 1.698 weight 1.000 ! spec=HCH, no=615, id=2223, vol=1.240000e+07
assign (resid 11 and name HG) (resid 52 and name HE1) 3.095 3.095 1.697 weight 1.000 ! spec=HCH, no=617, id=2225, vol=1.240000e+07
or (resid 11 and name HG) (resid 52 and name HE2)
assign (resid 44 and name HN) (resid 44 and name HG22) 3.094 3.094 1.697 weight 1.000 ! spec=HCH, no=618, id=2226, vol=1.240000e+07
or (resid 44 and name HN) (resid 44 and name HG21)
or (resid 44 and name HN) (resid 44 and name HG23)
assign (resid 23 and name HA) (resid 119 and name HG2) 3.094 3.094 1.697 weight 1.000 ! spec=HCH, no=619, id=2227, vol=1.240000e+07
assign (resid 13 and name HB1) (resid 18 and name HE1) 3.093 3.093 1.696 weight 1.000 ! spec=HCH, no=623, id=2231, vol=1.250000e+07
or (resid 13 and name HB1) (resid 18 and name HE2)
assign (resid 57 and name HB) (resid 54 and name HD22) 3.092 3.092 1.695 weight 1.000 ! spec=HCH, no=625, id=2233, vol=1.250000e+07
or (resid 57 and name HB) (resid 54 and name HD21)
or (resid 57 and name HB) (resid 54 and name HD23)
assign (resid 44 and name HD12) (resid 79 and name HZ2) 3.091 3.091 1.694 weight 1.000 ! spec=HCH, no=629, id=2237, vol=1.250000e+07
or (resid 44 and name HD11) (resid 79 and name HZ2)
or (resid 44 and name HD13) (resid 79 and name HZ2)
assign (resid 72 and name HB2) (resid 72 and name HA) 3.090 3.090 1.694 weight 1.000 ! spec=HCH, no=632, id=2240, vol=1.250000e+07
assign (resid 100 and name HB2) (resid 111 and name HD1) 3.089 3.089 1.693 weight 1.000 ! spec=HCH, no=635, id=2243, vol=1.260000e+07
or (resid 100 and name HB2) (resid 111 and name HD2)
assign (resid 77 and name HE1) (resid 96 and name HG21) 3.088 3.088 1.692 weight 1.000 ! spec=HCH, no=642, id=2250, vol=1.260000e+07
or (resid 77 and name HE1) (resid 96 and name HG22)
or (resid 77 and name HE1) (resid 96 and name HG23)
assign (resid 37 and name HG1) (resid 37 and name HB2) 3.088 3.088 1.692 weight 1.000 ! spec=HCH, no=645, id=2252, vol=1.260000e+07
assign (resid 42 and name HA) (resid 66 and name HG22) 3.087 3.087 1.691 weight 1.000 ! spec=HCH, no=647, id=2254, vol=1.260000e+07
or (resid 42 and name HA) (resid 66 and name HG21)
or (resid 42 and name HA) (resid 66 and name HG23)
assign (resid 16 and name HG1) (resid 125 and name HG1) 3.086 3.086 1.69 weight 1.000 ! spec=HCH, no=649, id=2256, vol=1.260000e+07
assign (resid 119 and name HD2) (resid 119 and name HB1) 3.084 3.084 1.689 weight 1.000 ! spec=HCH, no=652, id=2259, vol=1.270000e+07
assign (resid 49 and name HB1) (resid 44 and name HG22) 3.081 3.081 1.687 weight 1.000 ! spec=HCH, no=660, id=2267, vol=1.280000e+07
or (resid 49 and name HB1) (resid 44 and name HG21)
or (resid 49 and name HB1) (resid 44 and name HG23)
assign (resid 66 and name HD12) (resid 103 and name HA) 3.080 3.080 1.686 weight 1.000 ! spec=HCH, no=667, id=2274, vol=1.280000e+07
or (resid 66 and name HD11) (resid 103 and name HA)
or (resid 66 and name HD13) (resid 103 and name HA)
assign (resid 100 and name HB1) (resid 70 and name HB1) 3.079 3.079 1.685 weight 1.000 ! spec=HCH, no=670, id=2277, vol=1.280000e+07
assign (resid 104 and name HG22) (resid 64 and name HD1) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=676, id=2283, vol=1.280000e+07
or (resid 104 and name HG22) (resid 64 and name HD2)
or (resid 104 and name HG21) (resid 64 and name HD1)
or (resid 104 and name HG21) (resid 64 and name HD2)
or (resid 104 and name HG23) (resid 64 and name HD1)
or (resid 104 and name HG23) (resid 64 and name HD2)
assign (resid 102 and name HB2) (resid 101 and name HA) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=677, id=2284, vol=1.280000e+07
or (resid 102 and name HB1) (resid 101 and name HA)
or (resid 102 and name HB3) (resid 101 and name HA)
assign (resid 46 and name HN) (resid 44 and name HA) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=678, id=2285, vol=1.280000e+07
assign (resid 30 and name HA1) (resid 41 and name HD12) 3.078 3.078 1.685 weight 1.000 ! spec=HCH, no=679, id=2286, vol=1.280000e+07
or (resid 30 and name HA1) (resid 41 and name HD11)
or (resid 30 and name HA1) (resid 41 and name HD13)
assign (resid 53 and name HB2) (resid 104 and name HG11) 3.078 3.078 1.684 weight 1.000 ! spec=HCH, no=681, id=2288, vol=1.280000e+07
assign (resid 126 and name HG) (resid 126 and name HA) 3.078 3.078 1.684 weight 1.000 ! spec=HCH, no=682, id=2289, vol=1.280000e+07
assign (resid 10 and name HB1) (resid 6 and name HB2) 3.077 3.077 1.683 weight 1.000 ! spec=HCH, no=685, id=2292, vol=1.290000e+07
assign (resid 94 and name HA2) (resid 93 and name HB) 3.075 3.075 1.682 weight 1.000 ! spec=HCH, no=691, id=2298, vol=1.290000e+07
assign (resid 119 and name HD1) (resid 62 and name HB2) 3.074 3.074 1.681 weight 1.000 ! spec=HCH, no=692, id=2299, vol=1.290000e+07
or (resid 119 and name HD1) (resid 62 and name HB1)
assign (resid 20 and name HG22) (resid 57 and name HA) 3.074 3.074 1.681 weight 1.000 ! spec=HCH, no=693, id=2300, vol=1.290000e+07
or (resid 20 and name HG21) (resid 57 and name HA)
or (resid 20 and name HG23) (resid 57 and name HA)
assign (resid 119 and name HD1) (resid 64 and name HD1) 3.073 3.073 1.681 weight 1.000 ! spec=HCH, no=695, id=2302, vol=1.300000e+07
or (resid 119 and name HD1) (resid 64 and name HD2)
assign (resid 23 and name HB) (resid 23 and name HN) 3.073 3.073 1.681 weight 1.000 ! spec=HCH, no=696, id=2303, vol=1.300000e+07
assign (resid 126 and name HD22) (resid 6 and name HN) 3.072 3.072 1.679 weight 1.000 ! spec=HCH, no=699, id=2306, vol=1.300000e+07
or (resid 126 and name HD21) (resid 6 and name HN)
or (resid 126 and name HD23) (resid 6 and name HN)
assign (resid 91 and name HB2) (resid 92 and name HG12) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=700, id=2307, vol=1.300000e+07
or (resid 91 and name HB1) (resid 92 and name HG12)
assign (resid 121 and name HB) (resid 121 and name HA) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=702, id=2309, vol=1.300000e+07
assign (resid 20 and name HG22) (resid 64 and name HD1) 3.071 3.071 1.679 weight 1.000 ! spec=HCH, no=703, id=2310, vol=1.300000e+07
or (resid 20 and name HG22) (resid 64 and name HD2)
or (resid 20 and name HG21) (resid 64 and name HD1)
or (resid 20 and name HG21) (resid 64 and name HD2)
or (resid 20 and name HG23) (resid 64 and name HD1)
or (resid 20 and name HG23) (resid 64 and name HD2)
assign (resid 107 and name HB1) (resid 54 and name HD12) 3.070 3.070 1.678 weight 1.000 ! spec=HCH, no=705, id=2312, vol=1.300000e+07
or (resid 107 and name HB1) (resid 54 and name HD11)
or (resid 107 and name HB1) (resid 54 and name HD13)
assign (resid 22 and name HB1) (resid 23 and name HG12) 3.070 3.070 1.678 weight 1.000 ! spec=HCH, no=707, id=2314, vol=1.300000e+07
or (resid 22 and name HB1) (resid 23 and name HG11)
or (resid 22 and name HB1) (resid 23 and name HG13)
assign (resid 108 and name HG1) (resid 108 and name HE2) 3.069 3.069 1.677 weight 1.000 ! spec=HCH, no=709, id=2316, vol=1.310000e+07
or (resid 108 and name HG1) (resid 108 and name HE1)
assign (resid 54 and name HN) (resid 53 and name HB1) 3.068 3.068 1.677 weight 1.000 ! spec=HCH, no=713, id=2320, vol=1.310000e+07
assign (resid 78 and name HG1) (resid 78 and name HA) 3.068 3.068 1.677 weight 1.000 ! spec=HCH, no=715, id=2322, vol=1.310000e+07
assign (resid 98 and name HB2) (resid 98 and name HN) 3.068 3.068 1.676 weight 1.000 ! spec=HCH, no=717, id=2324, vol=1.310000e+07
assign (resid 44 and name HD12) (resid 42 and name HG2) 3.067 3.067 1.676 weight 1.000 ! spec=HCH, no=719, id=2326, vol=1.310000e+07
or (resid 44 and name HD11) (resid 42 and name HG2)
or (resid 44 and name HD13) (resid 42 and name HG2)
assign (resid 73 and name HA) (resid 73 and name HG2) 3.066 3.066 1.675 weight 1.000 ! spec=HCH, no=721, id=2328, vol=1.310000e+07
assign (resid 23 and name HN) (resid 119 and name HB2) 3.065 3.065 1.674 weight 1.000 ! spec=HCH, no=725, id=2332, vol=1.320000e+07
assign (resid 93 and name HB) (resid 93 and name HN) 3.064 3.064 1.674 weight 1.000 ! spec=HCH, no=727, id=2334, vol=1.320000e+07
assign (resid 68 and name HA) (resid 68 and name HD12) 3.064 3.064 1.673 weight 1.000 ! spec=HCH, no=729, id=2336, vol=1.320000e+07
or (resid 68 and name HA) (resid 68 and name HD11)
or (resid 68 and name HA) (resid 68 and name HD13)
assign (resid 53 and name HA) (resid 56 and name HN) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=731, id=2338, vol=1.320000e+07
assign (resid 131 and name HA) (resid 130 and name HG21) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=732, id=2339, vol=1.320000e+07
or (resid 131 and name HA) (resid 130 and name HG22)
or (resid 131 and name HA) (resid 130 and name HG23)
assign (resid 69 and name HD1) (resid 27 and name HH2) 3.063 3.063 1.673 weight 1.000 ! spec=HCH, no=733, id=2340, vol=1.320000e+07
assign (resid 7 and name HA) (resid 7 and name HG1) 3.061 3.061 1.671 weight 1.000 ! spec=HCH, no=736, id=2343, vol=1.330000e+07
assign (resid 119 and name HD1) (resid 119 and name HB1) 3.060 3.060 1.67 weight 1.000 ! spec=HCH, no=738, id=2345, vol=1.330000e+07
assign (resid 71 and name HN) (resid 71 and name HA) 3.059 3.059 1.67 weight 1.000 ! spec=HCH, no=741, id=2347, vol=1.330000e+07
assign (resid 108 and name HG2) (resid 110 and name HG21) 3.059 3.059 1.669 weight 1.000 ! spec=HCH, no=742, id=2348, vol=1.330000e+07
or (resid 108 and name HG2) (resid 110 and name HG22)
or (resid 108 and name HG2) (resid 110 and name HG23)
assign (resid 96 and name HA) (resid 95 and name HA) 3.058 3.058 1.669 weight 1.000 ! spec=HCH, no=745, id=2351, vol=1.330000e+07
assign (resid 47 and name HA) (resid 48 and name HN) 3.058 3.058 1.669 weight 1.000 ! spec=HCH, no=746, id=2352, vol=1.340000e+07
assign (resid 73 and name HB2) (resid 72 and name HD12) 3.057 3.057 1.668 weight 1.000 ! spec=HCH, no=747, id=2353, vol=1.340000e+07
or (resid 73 and name HB2) (resid 72 and name HD11)
or (resid 73 and name HB2) (resid 72 and name HD13)
or (resid 73 and name HB1) (resid 72 and name HD12)
or (resid 73 and name HB1) (resid 72 and name HD11)
or (resid 73 and name HB1) (resid 72 and name HD13)
assign (resid 126 and name HD22) (resid 3 and name HE2) 3.057 3.057 1.668 weight 1.000 ! spec=HCH, no=748, id=2354, vol=1.340000e+07
or (resid 126 and name HD22) (resid 3 and name HE1)
or (resid 126 and name HD21) (resid 3 and name HE2)
or (resid 126 and name HD21) (resid 3 and name HE1)
or (resid 126 and name HD23) (resid 3 and name HE2)
or (resid 126 and name HD23) (resid 3 and name HE1)
assign (resid 18 and name HB1) (resid 18 and name HA) 3.055 3.055 1.667 weight 1.000 ! spec=HCH, no=750, id=2356, vol=1.340000e+07
assign (resid 81 and name HN) (resid 80 and name HA) 3.054 3.054 1.666 weight 1.000 ! spec=HCH, no=755, id=2361, vol=1.350000e+07
assign (resid 90 and name HB1) (resid 90 and name HN) 3.053 3.053 1.665 weight 1.000 ! spec=HCH, no=756, id=2362, vol=1.350000e+07
assign (resid 72 and name HG) (resid 73 and name HA) 3.053 3.053 1.665 weight 1.000 ! spec=HCH, no=757, id=2363, vol=1.350000e+07
assign (resid 53 and name HN) (resid 54 and name HD22) 3.052 3.052 1.664 weight 1.000 ! spec=HCH, no=760, id=2366, vol=1.350000e+07
or (resid 53 and name HN) (resid 54 and name HD21)
or (resid 53 and name HN) (resid 54 and name HD23)
assign (resid 44 and name HD12) (resid 50 and name HA) 3.051 3.051 1.664 weight 1.000 ! spec=HCH, no=762, id=2368, vol=1.350000e+07
or (resid 44 and name HD11) (resid 50 and name HA)
or (resid 44 and name HD13) (resid 50 and name HA)
assign (resid 69 and name HB2) (resid 69 and name HA) 3.051 3.051 1.663 weight 1.000 ! spec=HCH, no=764, id=2370, vol=1.350000e+07
assign (resid 7 and name HD2) (resid 6 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HCH, no=766, id=2372, vol=1.360000e+07
assign (resid 4 and name HB1) (resid 4 and name HN) 3.049 3.049 1.662 weight 1.000 ! spec=HCH, no=769, id=2375, vol=1.360000e+07
assign (resid 101 and name HB2) (resid 101 and name HA) 3.049 3.049 1.662 weight 1.000 ! spec=HCH, no=771, id=2377, vol=1.360000e+07
assign (resid 90 and name HB2) (resid 90 and name HN) 3.048 3.048 1.661 weight 1.000 ! spec=HCH, no=773, id=2379, vol=1.360000e+07
assign (resid 24 and name HB1) (resid 119 and name HG1) 3.047 3.047 1.661 weight 1.000 ! spec=HCH, no=774, id=2380, vol=1.360000e+07
assign (resid 7 and name HB1) (resid 7 and name HA) 3.047 3.047 1.66 weight 1.000 ! spec=HCH, no=775, id=2381, vol=1.360000e+07
assign (resid 114 and name HA) (resid 113 and name HA) 3.046 3.046 1.66 weight 1.000 ! spec=HCH, no=778, id=2384, vol=1.370000e+07
assign (resid 104 and name HB) (resid 64 and name HB2) 3.044 3.044 1.658 weight 1.000 ! spec=HCH, no=785, id=2391, vol=1.370000e+07
assign (resid 78 and name HG2) (resid 78 and name HA) 3.044 3.044 1.658 weight 1.000 ! spec=HCH, no=787, id=2393, vol=1.370000e+07
assign (resid 37 and name HE2) (resid 10 and name HZ2) 3.042 3.042 1.657 weight 1.000 ! spec=HCH, no=790, id=2396, vol=1.380000e+07
or (resid 37 and name HE1) (resid 10 and name HZ2)
assign (resid 108 and name HG2) (resid 108 and name HE2) 3.042 3.042 1.656 weight 1.000 ! spec=HCH, no=791, id=2397, vol=1.380000e+07
or (resid 108 and name HG2) (resid 108 and name HE1)
assign (resid 135 and name HG12) (resid 137 and name HN) 3.042 3.042 1.656 weight 1.000 ! spec=HCH, no=792, id=2398, vol=1.380000e+07
or (resid 135 and name HG11) (resid 137 and name HN)
or (resid 135 and name HG13) (resid 137 and name HN)
assign (resid 72 and name HG) (resid 72 and name HA) 3.040 3.040 1.655 weight 1.000 ! spec=HCH, no=795, id=2401, vol=1.380000e+07
assign (resid 29 and name HB2) (resid 25 and name HB2) 3.040 3.040 1.655 weight 1.000 ! spec=HCH, no=797, id=2403, vol=1.380000e+07
or (resid 29 and name HB1) (resid 25 and name HB2)
assign (resid 49 and name HG1) (resid 49 and name HN) 3.039 3.039 1.654 weight 1.000 ! spec=HCH, no=801, id=2407, vol=1.390000e+07
assign (resid 8 and name HN) (resid 7 and name HB2) 3.038 3.038 1.654 weight 1.000 ! spec=HCH, no=802, id=2408, vol=1.390000e+07
assign (resid 125 and name HN) (resid 125 and name HG2) 3.036 3.036 1.652 weight 1.000 ! spec=HCH, no=807, id=2413, vol=1.390000e+07
assign (resid 42 and name HG1) (resid 66 and name HG22) 3.036 3.036 1.652 weight 1.000 ! spec=HCH, no=809, id=2415, vol=1.390000e+07
or (resid 42 and name HG1) (resid 66 and name HG21)
or (resid 42 and name HG1) (resid 66 and name HG23)
assign (resid 4 and name HD22) (resid 127 and name HD1) 3.033 3.033 1.65 weight 1.000 ! spec=HCH, no=815, id=2421, vol=1.400000e+07
or (resid 4 and name HD22) (resid 127 and name HD2)
or (resid 4 and name HD21) (resid 127 and name HD1)
or (resid 4 and name HD21) (resid 127 and name HD2)
or (resid 4 and name HD23) (resid 127 and name HD1)
or (resid 4 and name HD23) (resid 127 and name HD2)
assign (resid 49 and name HB2) (resid 44 and name HG22) 3.032 3.032 1.649 weight 1.000 ! spec=HCH, no=819, id=2425, vol=1.410000e+07
or (resid 49 and name HB2) (resid 44 and name HG21)
or (resid 49 and name HB2) (resid 44 and name HG23)
assign (resid 85 and name HB1) (resid 85 and name HD12) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=822, id=2428, vol=1.410000e+07
or (resid 85 and name HB1) (resid 85 and name HD11)
or (resid 85 and name HB1) (resid 85 and name HD13)
assign (resid 40 and name HA) (resid 80 and name HD12) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=823, id=2429, vol=1.410000e+07
or (resid 40 and name HA) (resid 80 and name HD11)
or (resid 40 and name HA) (resid 80 and name HD13)
assign (resid 37 and name HG2) (resid 37 and name HE2) 3.030 3.030 1.648 weight 1.000 ! spec=HCH, no=824, id=2430, vol=1.410000e+07
or (resid 37 and name HG2) (resid 37 and name HE1)
assign (resid 44 and name HG11) (resid 44 and name HA) 3.029 3.029 1.647 weight 1.000 ! spec=HCH, no=826, id=2432, vol=1.410000e+07
assign (resid 86 and name HB1) (resid 89 and name HG12) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=829, id=2435, vol=1.420000e+07
or (resid 86 and name HB1) (resid 89 and name HG11)
or (resid 86 and name HB1) (resid 89 and name HG13)
assign (resid 18 and name HB2) (resid 19 and name HN) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=830, id=2436, vol=1.420000e+07
assign (resid 10 and name HN) (resid 10 and name HB2) 3.028 3.028 1.646 weight 1.000 ! spec=HCH, no=831, id=2437, vol=1.420000e+07
assign (resid 126 and name HD22) (resid 6 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HCH, no=837, id=2443, vol=1.420000e+07
or (resid 126 and name HD21) (resid 6 and name HB1)
or (resid 126 and name HD23) (resid 6 and name HB1)
assign (resid 72 and name HA) (resid 73 and name HB2) 3.025 3.025 1.644 weight 1.000 ! spec=HCH, no=838, id=2444, vol=1.420000e+07
or (resid 72 and name HA) (resid 73 and name HB1)
assign (resid 112 and name HA) (resid 111 and name HD1) 3.023 3.023 1.642 weight 1.000 ! spec=HCH, no=842, id=2448, vol=1.430000e+07
or (resid 112 and name HA) (resid 111 and name HD2)
assign (resid 7 and name HA) (resid 8 and name HA) 3.022 3.022 1.642 weight 1.000 ! spec=HCH, no=844, id=2450, vol=1.430000e+07
assign (resid 96 and name HG21) (resid 95 and name HA) 3.022 3.022 1.642 weight 1.000 ! spec=HCH, no=847, id=2453, vol=1.430000e+07
or (resid 96 and name HG22) (resid 95 and name HA)
or (resid 96 and name HG23) (resid 95 and name HA)
assign (resid 41 and name HG) (resid 41 and name HB2) 3.022 3.022 1.641 weight 1.000 ! spec=HCH, no=849, id=2455, vol=1.430000e+07
assign (resid 124 and name HB2) (resid 124 and name HE2) 3.022 3.022 1.641 weight 1.000 ! spec=HCH, no=850, id=2456, vol=1.430000e+07
or (resid 124 and name HB2) (resid 124 and name HE1)
assign (resid 34 and name HB2) (resid 40 and name HA) 3.020 3.020 1.64 weight 1.000 ! spec=HCH, no=855, id=2461, vol=1.440000e+07
assign (resid 50 and name HB2) (resid 51 and name HN) 3.019 3.019 1.64 weight 1.000 ! spec=HCH, no=856, id=2462, vol=1.440000e+07
assign (resid 53 and name HB2) (resid 54 and name HG) 3.018 3.018 1.639 weight 1.000 ! spec=HCH, no=860, id=2466, vol=1.440000e+07
assign (resid 4 and name HA) (resid 5 and name HG2) 3.018 3.018 1.639 weight 1.000 ! spec=HCH, no=861, id=2467, vol=1.440000e+07
or (resid 4 and name HA) (resid 5 and name HG1)
assign (resid 43 and name HD22) (resid 81 and name HN) 3.017 3.017 1.637 weight 1.000 ! spec=HCH, no=866, id=2472, vol=1.450000e+07
or (resid 43 and name HD21) (resid 81 and name HN)
or (resid 43 and name HD23) (resid 81 and name HN)
assign (resid 50 and name HA) (resid 53 and name HB1) 3.016 3.016 1.637 weight 1.000 ! spec=HCH, no=868, id=2474, vol=1.450000e+07
assign (resid 43 and name HB2) (resid 43 and name HA) 3.014 3.014 1.636 weight 1.000 ! spec=HCH, no=876, id=2482, vol=1.460000e+07
assign (resid 57 and name HN) (resid 57 and name HG11) 3.014 3.014 1.635 weight 1.000 ! spec=HCH, no=883, id=2489, vol=1.460000e+07
assign (resid 80 and name HG11) (resid 80 and name HB) 3.013 3.013 1.635 weight 1.000 ! spec=HCH, no=884, id=2490, vol=1.460000e+07
assign (resid 64 and name HB1) (resid 64 and name HA) 3.012 3.012 1.634 weight 1.000 ! spec=HCH, no=886, id=2492, vol=1.460000e+07
assign (resid 121 and name HG22) (resid 57 and name HD12) 3.011 3.011 1.633 weight 1.000 ! spec=HCH, no=893, id=2499, vol=1.470000e+07
or (resid 121 and name HG22) (resid 57 and name HD11)
or (resid 121 and name HG22) (resid 57 and name HD13)
or (resid 121 and name HG21) (resid 57 and name HD12)
or (resid 121 and name HG21) (resid 57 and name HD11)
or (resid 121 and name HG21) (resid 57 and name HD13)
or (resid 121 and name HG23) (resid 57 and name HD12)
or (resid 121 and name HG23) (resid 57 and name HD11)
or (resid 121 and name HG23) (resid 57 and name HD13)
assign (resid 64 and name HB1) (resid 121 and name HD12) 3.011 3.011 1.633 weight 1.000 ! spec=HCH, no=894, id=2500, vol=1.470000e+07
or (resid 64 and name HB1) (resid 121 and name HD11)
or (resid 64 and name HB1) (resid 121 and name HD13)
assign (resid 46 and name HN) (resid 45 and name HA) 3.009 3.009 1.632 weight 1.000 ! spec=HCH, no=895, id=2501, vol=1.470000e+07
assign (resid 37 and name HD1) (resid 37 and name HB1) 3.007 3.007 1.63 weight 1.000 ! spec=HCH, no=901, id=2507, vol=1.480000e+07
assign (resid 92 and name HD12) (resid 92 and name HA) 3.006 3.006 1.63 weight 1.000 ! spec=HCH, no=902, id=2508, vol=1.480000e+07
or (resid 92 and name HD11) (resid 92 and name HA)
or (resid 92 and name HD13) (resid 92 and name HA)
assign (resid 54 and name HA) (resid 57 and name HD12) 3.006 3.006 1.63 weight 1.000 ! spec=HCH, no=903, id=2509, vol=1.480000e+07
or (resid 54 and name HA) (resid 57 and name HD11)
or (resid 54 and name HA) (resid 57 and name HD13)
assign (resid 57 and name HD12) (resid 64 and name HE1) 3.004 3.004 1.628 weight 1.000 ! spec=HCH, no=905, id=2511, vol=1.490000e+07
or (resid 57 and name HD12) (resid 64 and name HE2)
or (resid 57 and name HD11) (resid 64 and name HE1)
or (resid 57 and name HD11) (resid 64 and name HE2)
or (resid 57 and name HD13) (resid 64 and name HE1)
or (resid 57 and name HD13) (resid 64 and name HE2)
assign (resid 70 and name HA) (resid 70 and name HB2) 3.004 3.004 1.628 weight 1.000 ! spec=HCH, no=906, id=2512, vol=1.490000e+07
assign (resid 78 and name HD2) (resid 71 and name HG21) 3.002 3.002 1.627 weight 1.000 ! spec=HCH, no=913, id=2519, vol=1.490000e+07
or (resid 78 and name HD2) (resid 71 and name HG22)
or (resid 78 and name HD2) (resid 71 and name HG23)
or (resid 78 and name HD1) (resid 71 and name HG21)
or (resid 78 and name HD1) (resid 71 and name HG22)
or (resid 78 and name HD1) (resid 71 and name HG23)
assign (resid 19 and name HB2) (resid 122 and name HB1) 2.999 2.999 1.625 weight 1.000 ! spec=HCH, no=918, id=2524, vol=1.500000e+07
assign (resid 49 and name HG2) (resid 49 and name HN) 2.999 2.999 1.624 weight 1.000 ! spec=HCH, no=920, id=2526, vol=1.500000e+07
assign (resid 34 and name HB1) (resid 40 and name HA) 2.998 2.998 1.624 weight 1.000 ! spec=HCH, no=922, id=2528, vol=1.500000e+07
assign (resid 68 and name HD22) (resid 85 and name HB2) 2.998 2.998 1.623 weight 1.000 ! spec=HCH, no=924, id=2530, vol=1.500000e+07
or (resid 68 and name HD21) (resid 85 and name HB2)
or (resid 68 and name HD23) (resid 85 and name HB2)
assign (resid 55 and name HA) (resid 54 and name HB1) 2.998 2.998 1.623 weight 1.000 ! spec=HCH, no=926, id=2532, vol=1.510000e+07
assign (resid 108 and name HG2) (resid 108 and name HA) 2.997 2.997 1.623 weight 1.000 ! spec=HCH, no=928, id=2534, vol=1.510000e+07
assign (resid 126 and name HD22) (resid 3 and name HA) 2.996 2.996 1.622 weight 1.000 ! spec=HCH, no=932, id=2538, vol=1.510000e+07
or (resid 126 and name HD21) (resid 3 and name HA)
or (resid 126 and name HD23) (resid 3 and name HA)
assign (resid 50 and name HB1) (resid 53 and name HB1) 2.996 2.996 1.622 weight 1.000 ! spec=HCH, no=934, id=2540, vol=1.510000e+07
assign (resid 42 and name HA) (resid 42 and name HG2) 2.995 2.995 1.622 weight 1.000 ! spec=HCH, no=937, id=2543, vol=1.510000e+07
assign (resid 69 and name HD2) (resid 27 and name HH2) 2.995 2.995 1.621 weight 1.000 ! spec=HCH, no=940, id=2546, vol=1.510000e+07
assign (resid 92 and name HA) (resid 102 and name HB2) 2.995 2.995 1.621 weight 1.000 ! spec=HCH, no=941, id=2547, vol=1.510000e+07
or (resid 92 and name HA) (resid 102 and name HB1)
or (resid 92 and name HA) (resid 102 and name HB3)
assign (resid 7 and name HD2) (resid 10 and name HB1) 2.994 2.994 1.621 weight 1.000 ! spec=HCH, no=943, id=2549, vol=1.510000e+07
assign (resid 9 and name HA) (resid 8 and name HB2) 2.994 2.994 1.621 weight 1.000 ! spec=HCH, no=944, id=2550, vol=1.520000e+07
assign (resid 121 and name HG12) (resid 64 and name HB1) 2.993 2.993 1.62 weight 1.000 ! spec=HCH, no=947, id=2553, vol=1.520000e+07
assign (resid 40 and name HG21) (resid 35 and name HA) 2.993 2.993 1.62 weight 1.000 ! spec=HCH, no=948, id=2554, vol=1.520000e+07
or (resid 40 and name HG22) (resid 35 and name HA)
or (resid 40 and name HG23) (resid 35 and name HA)
assign (resid 101 and name HA) (resid 69 and name HB1) 2.992 2.992 1.619 weight 1.000 ! spec=HCH, no=949, id=2555, vol=1.520000e+07
assign (resid 66 and name HA) (resid 42 and name HB2) 2.991 2.991 1.618 weight 1.000 ! spec=HCH, no=952, id=2558, vol=1.530000e+07
assign (resid 41 and name HB1) (resid 67 and name HA1) 2.990 2.990 1.618 weight 1.000 ! spec=HCH, no=956, id=2562, vol=1.530000e+07
assign (resid 42 and name HB2) (resid 42 and name HN) 2.987 2.987 1.616 weight 1.000 ! spec=HCH, no=963, id=2569, vol=1.540000e+07
assign (resid 92 and name HD12) (resid 111 and name HD1) 2.987 2.987 1.615 weight 1.000 ! spec=HCH, no=964, id=2570, vol=1.540000e+07
or (resid 92 and name HD12) (resid 111 and name HD2)
or (resid 92 and name HD11) (resid 111 and name HD1)
or (resid 92 and name HD11) (resid 111 and name HD2)
or (resid 92 and name HD13) (resid 111 and name HD1)
or (resid 92 and name HD13) (resid 111 and name HD2)
assign (resid 55 and name HN) (resid 54 and name HB2) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=968, id=2574, vol=1.540000e+07
assign (resid 27 and name HN) (resid 27 and name HB1) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=970, id=2576, vol=1.540000e+07
assign (resid 57 and name HG22) (resid 64 and name HE1) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=971, id=2577, vol=1.540000e+07
or (resid 57 and name HG22) (resid 64 and name HE2)
or (resid 57 and name HG21) (resid 64 and name HE1)
or (resid 57 and name HG21) (resid 64 and name HE2)
or (resid 57 and name HG23) (resid 64 and name HE1)
or (resid 57 and name HG23) (resid 64 and name HE2)
assign (resid 37 and name HD1) (resid 37 and name HB2) 2.986 2.986 1.614 weight 1.000 ! spec=HCH, no=972, id=2578, vol=1.540000e+07
assign (resid 96 and name HG21) (resid 98 and name HD22) 2.984 2.984 1.613 weight 1.000 ! spec=HCH, no=975, id=2581, vol=1.550000e+07
or (resid 96 and name HG22) (resid 98 and name HD22)
or (resid 96 and name HG23) (resid 98 and name HD22)
assign (resid 40 and name HN) (resid 40 and name HA) 2.984 2.984 1.613 weight 1.000 ! spec=HCH, no=976, id=2582, vol=1.550000e+07
assign (resid 37 and name HG1) (resid 37 and name HB1) 2.983 2.983 1.612 weight 1.000 ! spec=HCH, no=979, id=2585, vol=1.550000e+07
assign (resid 43 and name HD12) (resid 81 and name HA) 2.983 2.983 1.612 weight 1.000 ! spec=HCH, no=981, id=2587, vol=1.550000e+07
or (resid 43 and name HD11) (resid 81 and name HA)
or (resid 43 and name HD13) (resid 81 and name HA)
assign (resid 98 and name HA) (resid 70 and name HE1) 2.982 2.982 1.611 weight 1.000 ! spec=HCH, no=983, id=2589, vol=1.550000e+07
or (resid 98 and name HA) (resid 70 and name HE2)
assign (resid 121 and name HD12) (resid 42 and name HB1) 2.980 2.980 1.61 weight 1.000 ! spec=HCH, no=986, id=2592, vol=1.560000e+07
or (resid 121 and name HD11) (resid 42 and name HB1)
or (resid 121 and name HD13) (resid 42 and name HB1)
assign (resid 44 and name HA) (resid 49 and name HG1) 2.979 2.979 1.609 weight 1.000 ! spec=HCH, no=988, id=2594, vol=1.560000e+07
assign (resid 104 and name HD12) (resid 50 and name HB2) 2.978 2.978 1.609 weight 1.000 ! spec=HCH, no=989, id=2595, vol=1.570000e+07
or (resid 104 and name HD11) (resid 50 and name HB2)
or (resid 104 and name HD13) (resid 50 and name HB2)
assign (resid 92 and name HG22) (resid 93 and name HA) 2.978 2.978 1.608 weight 1.000 ! spec=HCH, no=990, id=2596, vol=1.570000e+07
or (resid 92 and name HG21) (resid 93 and name HA)
or (resid 92 and name HG23) (resid 93 and name HA)
assign (resid 121 and name HA) (resid 20 and name HG12) 2.977 2.977 1.608 weight 1.000 ! spec=HCH, no=991, id=2597, vol=1.570000e+07
or (resid 121 and name HA) (resid 20 and name HG11)
or (resid 121 and name HA) (resid 20 and name HG13)
assign (resid 89 and name HA) (resid 90 and name HN) 2.977 2.977 1.608 weight 1.000 ! spec=HCH, no=992, id=2598, vol=1.570000e+07
assign (resid 65 and name HB1) (resid 120 and name HA) 2.976 2.976 1.607 weight 1.000 ! spec=HCH, no=994, id=2600, vol=1.570000e+07
assign (resid 119 and name HN) (resid 118 and name HB2) 2.976 2.976 1.607 weight 1.000 ! spec=HCH, no=995, id=2601, vol=1.570000e+07
assign (resid 109 and name HB) (resid 109 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=998, id=2604, vol=1.570000e+07
assign (resid 3 and name HA) (resid 15 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=999, id=2605, vol=1.570000e+07
assign (resid 24 and name HB1) (resid 119 and name HA) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=1000, id=2606, vol=1.570000e+07
assign (resid 6 and name HB2) (resid 6 and name HN) 2.975 2.975 1.606 weight 1.000 ! spec=HCH, no=1001, id=2607, vol=1.580000e+07
assign (resid 115 and name HN) (resid 113 and name HB1) 2.974 2.974 1.606 weight 1.000 ! spec=HCH, no=1004, id=2610, vol=1.580000e+07
assign (resid 21 and name HB1) (resid 23 and name HG22) 2.974 2.974 1.606 weight 1.000 ! spec=HCH, no=1005, id=2611, vol=1.580000e+07
or (resid 21 and name HB1) (resid 23 and name HG21)
or (resid 21 and name HB1) (resid 23 and name HG23)
assign (resid 53 and name HN) (resid 53 and name HG) 2.974 2.974 1.605 weight 1.000 ! spec=HCH, no=1006, id=2612, vol=1.580000e+07
assign (resid 3 and name HN) (resid 2 and name HB2) 2.973 2.973 1.605 weight 1.000 ! spec=HCH, no=1007, id=2613, vol=1.580000e+07
or (resid 3 and name HN) (resid 2 and name HB1)
or (resid 3 and name HN) (resid 2 and name HB3)
assign (resid 17 and name HB1) (resid 10 and name HE3) 2.973 2.973 1.605 weight 1.000 ! spec=HCH, no=1009, id=2615, vol=1.580000e+07
assign (resid 101 and name HB1) (resid 101 and name HA) 2.972 2.972 1.604 weight 1.000 ! spec=HCH, no=1011, id=2617, vol=1.590000e+07
assign (resid 16 and name HB1) (resid 16 and name HA) 2.971 2.971 1.604 weight 1.000 ! spec=HCH, no=1013, id=2619, vol=1.590000e+07
assign (resid 39 and name HB2) (resid 124 and name HA) 2.971 2.971 1.603 weight 1.000 ! spec=HCH, no=1014, id=2620, vol=1.590000e+07
or (resid 39 and name HB1) (resid 124 and name HA)
or (resid 39 and name HB3) (resid 124 and name HA)
assign (resid 121 and name HG12) (resid 66 and name HG22) 2.971 2.971 1.603 weight 1.000 ! spec=HCH, no=1016, id=2622, vol=1.590000e+07
or (resid 121 and name HG12) (resid 66 and name HG21)
or (resid 121 and name HG12) (resid 66 and name HG23)
assign (resid 108 and name HD2) (resid 107 and name HA) 2.968 2.968 1.601 weight 1.000 ! spec=HCH, no=1027, id=2632, vol=1.600000e+07
or (resid 108 and name HD1) (resid 107 and name HA)
assign (resid 76 and name HA) (resid 76 and name HD21) 2.967 2.967 1.601 weight 1.000 ! spec=HCH, no=1032, id=2637, vol=1.600000e+07
assign (resid 80 and name HN) (resid 80 and name HD12) 2.966 2.966 1.6 weight 1.000 ! spec=HCH, no=1035, id=2640, vol=1.600000e+07
or (resid 80 and name HN) (resid 80 and name HD11)
or (resid 80 and name HN) (resid 80 and name HD13)
assign (resid 44 and name HG22) (resid 46 and name HA) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1038, id=2643, vol=1.610000e+07
or (resid 44 and name HG21) (resid 46 and name HA)
or (resid 44 and name HG23) (resid 46 and name HA)
assign (resid 43 and name HD12) (resid 81 and name HD21) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1040, id=2645, vol=1.610000e+07
or (resid 43 and name HD11) (resid 81 and name HD21)
or (resid 43 and name HD13) (resid 81 and name HD21)
assign (resid 80 and name HD12) (resid 67 and name HA2) 2.965 2.965 1.599 weight 1.000 ! spec=HCH, no=1041, id=2646, vol=1.610000e+07
or (resid 80 and name HD11) (resid 67 and name HA2)
or (resid 80 and name HD13) (resid 67 and name HA2)
assign (resid 42 and name HN) (resid 123 and name HG2) 2.963 2.963 1.597 weight 1.000 ! spec=HCH, no=1044, id=2649, vol=1.610000e+07
assign (resid 41 and name HA) (resid 41 and name HD22) 2.962 2.962 1.597 weight 1.000 ! spec=HCH, no=1046, id=2651, vol=1.620000e+07
or (resid 41 and name HA) (resid 41 and name HD21)
or (resid 41 and name HA) (resid 41 and name HD23)
assign (resid 52 and name HB2) (resid 49 and name HA) 2.960 2.960 1.595 weight 1.000 ! spec=HCH, no=1052, id=2657, vol=1.620000e+07
assign (resid 91 and name HG1) (resid 92 and name HG12) 2.960 2.960 1.595 weight 1.000 ! spec=HCH, no=1053, id=2658, vol=1.620000e+07
assign (resid 68 and name HG) (resid 68 and name HD12) 2.959 2.959 1.595 weight 1.000 ! spec=HCH, no=1054, id=2659, vol=1.630000e+07
or (resid 68 and name HG) (resid 68 and name HD11)
or (resid 68 and name HG) (resid 68 and name HD13)
assign (resid 4 and name HB1) (resid 126 and name HG) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1057, id=2662, vol=1.630000e+07
assign (resid 48 and name HG2) (resid 48 and name HN) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1058, id=2663, vol=1.630000e+07
assign (resid 51 and name HD2) (resid 51 and name HA) 2.959 2.959 1.594 weight 1.000 ! spec=HCH, no=1059, id=2664, vol=1.630000e+07
assign (resid 7 and name HD2) (resid 6 and name HB2) 2.958 2.958 1.594 weight 1.000 ! spec=HCH, no=1061, id=2666, vol=1.630000e+07
assign (resid 25 and name HB1) (resid 25 and name HA) 2.958 2.958 1.594 weight 1.000 ! spec=HCH, no=1062, id=2667, vol=1.630000e+07
assign (resid 49 and name HB1) (resid 49 and name HA) 2.958 2.958 1.593 weight 1.000 ! spec=HCH, no=1064, id=2669, vol=1.630000e+07
assign (resid 53 and name HN) (resid 53 and name HD12) 2.957 2.957 1.593 weight 1.000 ! spec=HCH, no=1067, id=2672, vol=1.630000e+07
or (resid 53 and name HN) (resid 53 and name HD11)
or (resid 53 and name HN) (resid 53 and name HD13)
assign (resid 126 and name HD12) (resid 12 and name HB2) 2.953 2.953 1.59 weight 1.000 ! spec=HCH, no=1075, id=2680, vol=1.650000e+07
or (resid 126 and name HD12) (resid 12 and name HB1)
or (resid 126 and name HD11) (resid 12 and name HB2)
or (resid 126 and name HD11) (resid 12 and name HB1)
or (resid 126 and name HD13) (resid 12 and name HB2)
or (resid 126 and name HD13) (resid 12 and name HB1)
assign (resid 37 and name HG1) (resid 37 and name HA) 2.952 2.952 1.59 weight 1.000 ! spec=HCH, no=1076, id=2681, vol=1.650000e+07
assign (resid 104 and name HG22) (resid 64 and name HE1) 2.952 2.952 1.589 weight 1.000 ! spec=HCH, no=1078, id=2683, vol=1.650000e+07
or (resid 104 and name HG22) (resid 64 and name HE2)
or (resid 104 and name HG21) (resid 64 and name HE1)
or (resid 104 and name HG21) (resid 64 and name HE2)
or (resid 104 and name HG23) (resid 64 and name HE1)
or (resid 104 and name HG23) (resid 64 and name HE2)
assign (resid 41 and name HD22) (resid 67 and name HA2) 2.951 2.951 1.589 weight 1.000 ! spec=HCH, no=1080, id=2685, vol=1.650000e+07
or (resid 41 and name HD21) (resid 67 and name HA2)
or (resid 41 and name HD23) (resid 67 and name HA2)
assign (resid 68 and name HA) (resid 68 and name HB1) 2.951 2.951 1.588 weight 1.000 ! spec=HCH, no=1082, id=2687, vol=1.650000e+07
assign (resid 20 and name HG22) (resid 121 and name HA) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1083, id=2688, vol=1.660000e+07
or (resid 20 and name HG21) (resid 121 and name HA)
or (resid 20 and name HG23) (resid 121 and name HA)
assign (resid 97 and name HA) (resid 97 and name HN) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1084, id=2689, vol=1.660000e+07
assign (resid 95 and name HB2) (resid 95 and name HN) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1085, id=2690, vol=1.660000e+07
assign (resid 43 and name HN) (resid 42 and name HG2) 2.950 2.950 1.588 weight 1.000 ! spec=HCH, no=1086, id=2691, vol=1.660000e+07
assign (resid 122 and name HB1) (resid 122 and name HA) 2.949 2.949 1.587 weight 1.000 ! spec=HCH, no=1087, id=2692, vol=1.660000e+07
assign (resid 118 and name HA) (resid 118 and name HN) 2.947 2.947 1.586 weight 1.000 ! spec=HCH, no=1090, id=2695, vol=1.670000e+07
assign (resid 110 and name HG21) (resid 104 and name HA) 2.945 2.945 1.584 weight 1.000 ! spec=HCH, no=1092, id=2697, vol=1.670000e+07
or (resid 110 and name HG22) (resid 104 and name HA)
or (resid 110 and name HG23) (resid 104 and name HA)
assign (resid 85 and name HG) (resid 85 and name HB2) 2.944 2.944 1.584 weight 1.000 ! spec=HCH, no=1093, id=2698, vol=1.680000e+07
assign (resid 86 and name HN) (resid 85 and name HD12) 2.944 2.944 1.584 weight 1.000 ! spec=HCH, no=1095, id=2700, vol=1.680000e+07
or (resid 86 and name HN) (resid 85 and name HD11)
or (resid 86 and name HN) (resid 85 and name HD13)
assign (resid 76 and name HB2) (resid 74 and name HB1) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1097, id=2702, vol=1.680000e+07
assign (resid 115 and name HA) (resid 116 and name HN) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1098, id=2703, vol=1.680000e+07
assign (resid 53 and name HG) (resid 42 and name HE2) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1100, id=2705, vol=1.680000e+07
or (resid 53 and name HG) (resid 42 and name HE1)
or (resid 53 and name HG) (resid 42 and name HE3)
assign (resid 33 and name HB2) (resid 34 and name HN) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1101, id=2706, vol=1.680000e+07
assign (resid 80 and name HG22) (resid 67 and name HA2) 2.943 2.943 1.583 weight 1.000 ! spec=HCH, no=1102, id=2707, vol=1.680000e+07
or (resid 80 and name HG21) (resid 67 and name HA2)
or (resid 80 and name HG23) (resid 67 and name HA2)
assign (resid 37 and name HG1) (resid 37 and name HE2) 2.942 2.942 1.582 weight 1.000 ! spec=HCH, no=1103, id=2708, vol=1.680000e+07
or (resid 37 and name HG1) (resid 37 and name HE1)
assign (resid 13 and name HB2) (resid 18 and name HE1) 2.940 2.940 1.581 weight 1.000 ! spec=HCH, no=1106, id=2711, vol=1.690000e+07
or (resid 13 and name HB2) (resid 18 and name HE2)
assign (resid 79 and name HB1) (resid 79 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1110, id=2715, vol=1.700000e+07
assign (resid 41 and name HB2) (resid 41 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1113, id=2718, vol=1.700000e+07
assign (resid 14 and name HA) (resid 14 and name HD2) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1114, id=2719, vol=1.700000e+07
or (resid 14 and name HA) (resid 14 and name HD1)
assign (resid 29 and name HN) (resid 29 and name HG1) 2.938 2.938 1.579 weight 1.000 ! spec=HCH, no=1115, id=2720, vol=1.700000e+07
assign (resid 53 and name HD22) (resid 49 and name HA) 2.937 2.937 1.578 weight 1.000 ! spec=HCH, no=1117, id=2722, vol=1.700000e+07
or (resid 53 and name HD21) (resid 49 and name HA)
or (resid 53 and name HD23) (resid 49 and name HA)
assign (resid 115 and name HA) (resid 26 and name HA) 2.936 2.936 1.578 weight 1.000 ! spec=HCH, no=1118, id=2723, vol=1.700000e+07
assign (resid 20 and name HG22) (resid 18 and name HB2) 2.935 2.935 1.577 weight 1.000 ! spec=HCH, no=1124, id=2729, vol=1.710000e+07
or (resid 20 and name HG21) (resid 18 and name HB2)
or (resid 20 and name HG23) (resid 18 and name HB2)
assign (resid 3 and name HG2) (resid 126 and name HD22) 2.933 2.933 1.575 weight 1.000 ! spec=HCH, no=1127, id=2732, vol=1.720000e+07
or (resid 3 and name HG2) (resid 126 and name HD21)
or (resid 3 and name HG2) (resid 126 and name HD23)
or (resid 3 and name HG1) (resid 126 and name HD22)
or (resid 3 and name HG1) (resid 126 and name HD21)
or (resid 3 and name HG1) (resid 126 and name HD23)
assign (resid 3 and name HB2) (resid 126 and name HB1) 2.932 2.932 1.575 weight 1.000 ! spec=HCH, no=1130, id=2735, vol=1.720000e+07
or (resid 3 and name HB1) (resid 126 and name HB1)
assign (resid 121 and name HA) (resid 121 and name HD12) 2.932 2.932 1.574 weight 1.000 ! spec=HCH, no=1132, id=2737, vol=1.720000e+07
or (resid 121 and name HA) (resid 121 and name HD11)
or (resid 121 and name HA) (resid 121 and name HD13)
assign (resid 25 and name HB2) (resid 120 and name HZ3) 2.931 2.931 1.573 weight 1.000 ! spec=HCH, no=1135, id=2740, vol=1.720000e+07
assign (resid 126 and name HD12) (resid 127 and name HN) 2.929 2.929 1.572 weight 1.000 ! spec=HCH, no=1139, id=2744, vol=1.730000e+07
or (resid 126 and name HD11) (resid 127 and name HN)
or (resid 126 and name HD13) (resid 127 and name HN)
assign (resid 51 and name HG2) (resid 48 and name HA) 2.928 2.928 1.571 weight 1.000 ! spec=HCH, no=1145, id=2750, vol=1.730000e+07
assign (resid 55 and name HB2) (resid 56 and name HA) 2.927 2.927 1.571 weight 1.000 ! spec=HCH, no=1149, id=2754, vol=1.740000e+07
assign (resid 53 and name HN) (resid 52 and name HB2) 2.926 2.926 1.57 weight 1.000 ! spec=HCH, no=1151, id=2756, vol=1.740000e+07
assign (resid 70 and name HB1) (resid 96 and name HG21) 2.925 2.925 1.569 weight 1.000 ! spec=HCH, no=1155, id=2759, vol=1.740000e+07
or (resid 70 and name HB1) (resid 96 and name HG22)
or (resid 70 and name HB1) (resid 96 and name HG23)
assign (resid 31 and name HG) (resid 31 and name HD12) 2.925 2.925 1.569 weight 1.000 ! spec=HCH, no=1157, id=2761, vol=1.740000e+07
or (resid 31 and name HG) (resid 31 and name HD11)
or (resid 31 and name HG) (resid 31 and name HD13)
assign (resid 45 and name HB1) (resid 45 and name HN) 2.924 2.924 1.569 weight 1.000 ! spec=HCH, no=1160, id=2764, vol=1.750000e+07
assign (resid 66 and name HA) (resid 66 and name HD12) 2.923 2.923 1.568 weight 1.000 ! spec=HCH, no=1163, id=2767, vol=1.750000e+07
or (resid 66 and name HA) (resid 66 and name HD11)
or (resid 66 and name HA) (resid 66 and name HD13)
assign (resid 104 and name HD12) (resid 104 and name HA) 2.922 2.922 1.568 weight 1.000 ! spec=HCH, no=1165, id=2769, vol=1.750000e+07
or (resid 104 and name HD11) (resid 104 and name HA)
or (resid 104 and name HD13) (resid 104 and name HA)
assign (resid 7 and name HG2) (resid 124 and name HD2) 2.922 2.922 1.567 weight 1.000 ! spec=HCH, no=1167, id=2771, vol=1.750000e+07
assign (resid 85 and name HG) (resid 85 and name HB1) 2.922 2.922 1.567 weight 1.000 ! spec=HCH, no=1168, id=2772, vol=1.760000e+07
assign (resid 104 and name HB) (resid 104 and name HG11) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1173, id=2777, vol=1.760000e+07
assign (resid 47 and name HA) (resid 50 and name HN) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1174, id=2778, vol=1.760000e+07
assign (resid 119 and name HG1) (resid 119 and name HD1) 2.920 2.920 1.566 weight 1.000 ! spec=HCH, no=1175, id=2779, vol=1.760000e+07
assign (resid 59 and name HG1) (resid 58 and name HG1) 2.920 2.920 1.565 weight 1.000 ! spec=HCH, no=1177, id=2781, vol=1.760000e+07
assign (resid 41 and name HD22) (resid 31 and name HB2) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1179, id=2783, vol=1.760000e+07
or (resid 41 and name HD21) (resid 31 and name HB2)
or (resid 41 and name HD23) (resid 31 and name HB2)
assign (resid 39 and name HB2) (resid 10 and name HZ2) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1181, id=2785, vol=1.760000e+07
or (resid 39 and name HB1) (resid 10 and name HZ2)
or (resid 39 and name HB3) (resid 10 and name HZ2)
assign (resid 29 and name HG1) (resid 29 and name HA) 2.919 2.919 1.565 weight 1.000 ! spec=HCH, no=1182, id=2786, vol=1.760000e+07
assign (resid 4 and name HB2) (resid 126 and name HG) 2.916 2.916 1.563 weight 1.000 ! spec=HCH, no=1185, id=2789, vol=1.780000e+07
assign (resid 11 and name HD22) (resid 11 and name HN) 2.916 2.916 1.563 weight 1.000 ! spec=HCH, no=1186, id=2790, vol=1.780000e+07
or (resid 11 and name HD21) (resid 11 and name HN)
or (resid 11 and name HD23) (resid 11 and name HN)
assign (resid 89 and name HG12) (resid 86 and name HB2) 2.915 2.915 1.562 weight 1.000 ! spec=HCH, no=1187, id=2791, vol=1.780000e+07
or (resid 89 and name HG11) (resid 86 and name HB2)
or (resid 89 and name HG13) (resid 86 and name HB2)
assign (resid 11 and name HG) (resid 11 and name HA) 2.913 2.913 1.561 weight 1.000 ! spec=HCH, no=1189, id=2793, vol=1.790000e+07
assign (resid 57 and name HG11) (resid 57 and name HB) 2.912 2.912 1.56 weight 1.000 ! spec=HCH, no=1191, id=2795, vol=1.790000e+07
assign (resid 75 and name HG1) (resid 75 and name HA) 2.912 2.912 1.56 weight 1.000 ! spec=HCH, no=1192, id=2796, vol=1.790000e+07
assign (resid 68 and name HA) (resid 66 and name HG12) 2.911 2.911 1.56 weight 1.000 ! spec=HCH, no=1193, id=2797, vol=1.790000e+07
assign (resid 92 and name HB) (resid 92 and name HG11) 2.911 2.911 1.559 weight 1.000 ! spec=HCH, no=1196, id=2800, vol=1.800000e+07
assign (resid 41 and name HG) (resid 41 and name HA) 2.910 2.910 1.559 weight 1.000 ! spec=HCH, no=1197, id=2801, vol=1.800000e+07
assign (resid 91 and name HG2) (resid 91 and name HA) 2.908 2.908 1.557 weight 1.000 ! spec=HCH, no=1203, id=2807, vol=1.810000e+07
assign (resid 51 and name HA) (resid 51 and name HD1) 2.907 2.907 1.556 weight 1.000 ! spec=HCH, no=1206, id=2810, vol=1.810000e+07
assign (resid 80 and name HA) (resid 80 and name HG11) 2.907 2.907 1.556 weight 1.000 ! spec=HCH, no=1207, id=2811, vol=1.810000e+07
assign (resid 36 and name HN) (resid 35 and name HB1) 2.906 2.906 1.556 weight 1.000 ! spec=HCH, no=1208, id=2812, vol=1.810000e+07
assign (resid 16 and name HD1) (resid 15 and name HB2) 2.906 2.906 1.556 weight 1.000 ! spec=HCH, no=1209, id=2813, vol=1.810000e+07
assign (resid 43 and name HD12) (resid 79 and name HA) 2.906 2.906 1.555 weight 1.000 ! spec=HCH, no=1211, id=2814, vol=1.810000e+07
or (resid 43 and name HD11) (resid 79 and name HA)
or (resid 43 and name HD13) (resid 79 and name HA)
assign (resid 55 and name HB1) (resid 52 and name HA) 2.903 2.903 1.553 weight 1.000 ! spec=HCH, no=1218, id=2821, vol=1.820000e+07
assign (resid 63 and name HA) (resid 105 and name HA) 2.902 2.902 1.552 weight 1.000 ! spec=HCH, no=1221, id=2824, vol=1.830000e+07
assign (resid 76 and name HD21) (resid 84 and name HG21) 2.900 2.900 1.551 weight 1.000 ! spec=HCH, no=1226, id=2829, vol=1.840000e+07
or (resid 76 and name HD21) (resid 84 and name HG22)
or (resid 76 and name HD21) (resid 84 and name HG23)
assign (resid 100 and name HA) (resid 100 and name HB1) 2.899 2.899 1.551 weight 1.000 ! spec=HCH, no=1227, id=2830, vol=1.840000e+07
assign (resid 75 and name HA) (resid 75 and name HG2) 2.899 2.899 1.55 weight 1.000 ! spec=HCH, no=1228, id=2831, vol=1.840000e+07
assign (resid 6 and name HB1) (resid 6 and name HA) 2.899 2.899 1.55 weight 1.000 ! spec=HCH, no=1230, id=2833, vol=1.840000e+07
assign (resid 121 and name HD12) (resid 64 and name HE1) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1231, id=2834, vol=1.840000e+07
or (resid 121 and name HD12) (resid 64 and name HE2)
or (resid 121 and name HD11) (resid 64 and name HE1)
or (resid 121 and name HD11) (resid 64 and name HE2)
or (resid 121 and name HD13) (resid 64 and name HE1)
or (resid 121 and name HD13) (resid 64 and name HE2)
assign (resid 70 and name HA) (resid 77 and name HA) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1232, id=2835, vol=1.840000e+07
assign (resid 100 and name HA) (resid 113 and name HA) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1234, id=2837, vol=1.840000e+07
assign (resid 14 and name HG1) (resid 14 and name HB2) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1235, id=2838, vol=1.840000e+07
or (resid 14 and name HG1) (resid 14 and name HB1)
assign (resid 72 and name HN) (resid 72 and name HB2) 2.898 2.898 1.55 weight 1.000 ! spec=HCH, no=1236, id=2839, vol=1.840000e+07
assign (resid 93 and name HN) (resid 93 and name HG21) 2.896 2.896 1.548 weight 1.000 ! spec=HCH, no=1239, id=2842, vol=1.850000e+07
or (resid 93 and name HN) (resid 93 and name HG22)
or (resid 93 and name HN) (resid 93 and name HG23)
assign (resid 96 and name HG21) (resid 77 and name HZ2) 2.895 2.895 1.548 weight 1.000 ! spec=HCH, no=1242, id=2845, vol=1.850000e+07
or (resid 96 and name HG22) (resid 77 and name HZ2)
or (resid 96 and name HG23) (resid 77 and name HZ2)
assign (resid 7 and name HD1) (resid 6 and name HB2) 2.894 2.894 1.547 weight 1.000 ! spec=HCH, no=1244, id=2847, vol=1.860000e+07
assign (resid 5 and name HN) (resid 4 and name HD22) 2.894 2.894 1.547 weight 1.000 ! spec=HCH, no=1245, id=2848, vol=1.860000e+07
or (resid 5 and name HN) (resid 4 and name HD21)
or (resid 5 and name HN) (resid 4 and name HD23)
assign (resid 124 and name HB2) (resid 124 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1247, id=2850, vol=1.860000e+07
assign (resid 125 and name HB1) (resid 125 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1248, id=2851, vol=1.860000e+07
assign (resid 16 and name HD2) (resid 16 and name HE2) 2.893 2.893 1.546 weight 1.000 ! spec=HCH, no=1250, id=2853, vol=1.860000e+07
assign (resid 44 and name HD12) (resid 92 and name HD12) 2.892 2.892 1.546 weight 1.000 ! spec=HCH, no=1251, id=2854, vol=1.870000e+07
or (resid 44 and name HD12) (resid 92 and name HD11)
or (resid 44 and name HD12) (resid 92 and name HD13)
or (resid 44 and name HD11) (resid 92 and name HD12)
or (resid 44 and name HD11) (resid 92 and name HD11)
or (resid 44 and name HD11) (resid 92 and name HD13)
or (resid 44 and name HD13) (resid 92 and name HD12)
or (resid 44 and name HD13) (resid 92 and name HD11)
or (resid 44 and name HD13) (resid 92 and name HD13)
assign (resid 119 and name HG2) (resid 119 and name HD1) 2.890 2.890 1.544 weight 1.000 ! spec=HCH, no=1256, id=2859, vol=1.870000e+07
assign (resid 65 and name HB2) (resid 65 and name HA) 2.890 2.890 1.544 weight 1.000 ! spec=HCH, no=1261, id=2864, vol=1.880000e+07
assign (resid 71 and name HN) (resid 71 and name HB) 2.889 2.889 1.543 weight 1.000 ! spec=HCH, no=1262, id=2865, vol=1.880000e+07
assign (resid 50 and name HG) (resid 50 and name HB2) 2.888 2.888 1.543 weight 1.000 ! spec=HCH, no=1264, id=2867, vol=1.880000e+07
assign (resid 85 and name HD12) (resid 86 and name HB1) 2.888 2.888 1.542 weight 1.000 ! spec=HCH, no=1266, id=2869, vol=1.880000e+07
or (resid 85 and name HD11) (resid 86 and name HB1)
or (resid 85 and name HD13) (resid 86 and name HB1)
assign (resid 18 and name HB2) (resid 121 and name HG22) 2.886 2.886 1.541 weight 1.000 ! spec=HCH, no=1270, id=2873, vol=1.890000e+07
or (resid 18 and name HB2) (resid 121 and name HG21)
or (resid 18 and name HB2) (resid 121 and name HG23)
assign (resid 121 and name HG22) (resid 20 and name HA) 2.885 2.885 1.54 weight 1.000 ! spec=HCH, no=1273, id=2876, vol=1.890000e+07
or (resid 121 and name HG21) (resid 20 and name HA)
or (resid 121 and name HG23) (resid 20 and name HA)
assign (resid 47 and name HB2) (resid 48 and name HN) 2.884 2.884 1.54 weight 1.000 ! spec=HCH, no=1278, id=2881, vol=1.900000e+07
or (resid 47 and name HB1) (resid 48 and name HN)
assign (resid 85 and name HD22) (resid 77 and name HB1) 2.883 2.883 1.539 weight 1.000 ! spec=HCH, no=1279, id=2882, vol=1.900000e+07
or (resid 85 and name HD21) (resid 77 and name HB1)
or (resid 85 and name HD23) (resid 77 and name HB1)
assign (resid 28 and name HG1) (resid 28 and name HA) 2.883 2.883 1.539 weight 1.000 ! spec=HCH, no=1282, id=2885, vol=1.900000e+07
assign (resid 31 and name HB2) (resid 31 and name HG) 2.882 2.882 1.538 weight 1.000 ! spec=HCH, no=1283, id=2886, vol=1.910000e+07
assign (resid 43 and name HD12) (resid 67 and name HN) 2.878 2.878 1.536 weight 1.000 ! spec=HCH, no=1296, id=2899, vol=1.920000e+07
or (resid 43 and name HD11) (resid 67 and name HN)
or (resid 43 and name HD13) (resid 67 and name HN)
assign (resid 57 and name HG12) (resid 54 and name HA) 2.878 2.878 1.536 weight 1.000 ! spec=HCH, no=1297, id=2900, vol=1.920000e+07
assign (resid 119 and name HA) (resid 120 and name HE3) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1298, id=2901, vol=1.920000e+07
assign (resid 17 and name HB1) (resid 17 and name HA) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1299, id=2902, vol=1.920000e+07
assign (resid 64 and name HA) (resid 120 and name HA) 2.878 2.878 1.535 weight 1.000 ! spec=HCH, no=1300, id=2903, vol=1.920000e+07
assign (resid 51 and name HA) (resid 54 and name HB1) 2.875 2.875 1.533 weight 1.000 ! spec=HCH, no=1306, id=2909, vol=1.930000e+07
assign (resid 19 and name HB1) (resid 19 and name HA) 2.873 2.873 1.532 weight 1.000 ! spec=HCH, no=1307, id=2910, vol=1.940000e+07
assign (resid 92 and name HD12) (resid 102 and name HB2) 2.873 2.873 1.532 weight 1.000 ! spec=HCH, no=1308, id=2911, vol=1.940000e+07
or (resid 92 and name HD12) (resid 102 and name HB1)
or (resid 92 and name HD12) (resid 102 and name HB3)
or (resid 92 and name HD11) (resid 102 and name HB2)
or (resid 92 and name HD11) (resid 102 and name HB1)
or (resid 92 and name HD11) (resid 102 and name HB3)
or (resid 92 and name HD13) (resid 102 and name HB2)
or (resid 92 and name HD13) (resid 102 and name HB1)
or (resid 92 and name HD13) (resid 102 and name HB3)
assign (resid 87 and name HA) (resid 90 and name HN) 2.872 2.872 1.531 weight 1.000 ! spec=HCH, no=1309, id=2912, vol=1.950000e+07
assign (resid 122 and name HA) (resid 39 and name HB2) 2.871 2.871 1.531 weight 1.000 ! spec=HCH, no=1310, id=2913, vol=1.950000e+07
or (resid 122 and name HA) (resid 39 and name HB1)
or (resid 122 and name HA) (resid 39 and name HB3)
assign (resid 134 and name HB2) (resid 133 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HCH, no=1313, id=2916, vol=1.950000e+07
or (resid 134 and name HB1) (resid 133 and name HB2)
assign (resid 68 and name HD22) (resid 77 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HCH, no=1314, id=2917, vol=1.960000e+07
or (resid 68 and name HD21) (resid 77 and name HB2)
or (resid 68 and name HD23) (resid 77 and name HB2)
assign (resid 54 and name HN) (resid 54 and name HB2) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1315, id=2918, vol=1.960000e+07
assign (resid 44 and name HB) (resid 44 and name HG12) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1316, id=2919, vol=1.960000e+07
assign (resid 33 and name HN) (resid 30 and name HA1) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1317, id=2920, vol=1.960000e+07
assign (resid 58 and name HB2) (resid 59 and name HA) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1318, id=2921, vol=1.960000e+07
or (resid 58 and name HB1) (resid 59 and name HA)
assign (resid 97 and name HG1) (resid 97 and name HA) 2.869 2.869 1.529 weight 1.000 ! spec=HCH, no=1322, id=2925, vol=1.960000e+07
assign (resid 57 and name HG12) (resid 104 and name HG22) 2.868 2.868 1.528 weight 1.000 ! spec=HCH, no=1326, id=2929, vol=1.960000e+07
or (resid 57 and name HG12) (resid 104 and name HG21)
or (resid 57 and name HG12) (resid 104 and name HG23)
assign (resid 53 and name HD12) (resid 42 and name HB2) 2.866 2.866 1.527 weight 1.000 ! spec=HCH, no=1330, id=2933, vol=1.970000e+07
or (resid 53 and name HD11) (resid 42 and name HB2)
or (resid 53 and name HD13) (resid 42 and name HB2)
assign (resid 42 and name HG1) (resid 42 and name HA) 2.864 2.864 1.526 weight 1.000 ! spec=HCH, no=1334, id=2937, vol=1.980000e+07
assign (resid 121 and name HB) (resid 42 and name HB1) 2.864 2.864 1.525 weight 1.000 ! spec=HCH, no=1336, id=2939, vol=1.980000e+07
assign (resid 119 and name HA) (resid 25 and name HB2) 2.863 2.863 1.524 weight 1.000 ! spec=HCH, no=1340, id=2943, vol=1.980000e+07
assign (resid 73 and name HB2) (resid 73 and name HD1) 2.862 2.862 1.524 weight 1.000 ! spec=HCH, no=1342, id=2945, vol=1.990000e+07
or (resid 73 and name HB1) (resid 73 and name HD1)
assign (resid 125 and name HB2) (resid 125 and name HA) 2.861 2.861 1.523 weight 1.000 ! spec=HCH, no=1344, id=2947, vol=1.990000e+07
assign (resid 92 and name HB) (resid 92 and name HG12) 2.860 2.860 1.523 weight 1.000 ! spec=HCH, no=1347, id=2950, vol=1.990000e+07
assign (resid 18 and name HA) (resid 121 and name HG22) 2.859 2.859 1.521 weight 1.000 ! spec=HCH, no=1352, id=2955, vol=2.000000e+07
or (resid 18 and name HA) (resid 121 and name HG21)
or (resid 18 and name HA) (resid 121 and name HG23)
assign (resid 41 and name HG) (resid 41 and name HB1) 2.858 2.858 1.521 weight 1.000 ! spec=HCH, no=1354, id=2957, vol=2.000000e+07
assign (resid 91 and name HD2) (resid 91 and name HA) 2.857 2.857 1.52 weight 1.000 ! spec=HCH, no=1355, id=2958, vol=2.010000e+07
or (resid 91 and name HD1) (resid 91 and name HA)
assign (resid 52 and name HB1) (resid 52 and name HD1) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1357, id=2960, vol=2.010000e+07
or (resid 52 and name HB1) (resid 52 and name HD2)
assign (resid 14 and name HG1) (resid 14 and name HA) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1358, id=2961, vol=2.010000e+07
assign (resid 30 and name HN) (resid 29 and name HA) 2.856 2.856 1.52 weight 1.000 ! spec=HCH, no=1359, id=2962, vol=2.010000e+07
assign (resid 53 and name HG) (resid 53 and name HA) 2.856 2.856 1.519 weight 1.000 ! spec=HCH, no=1361, id=2964, vol=2.010000e+07
assign (resid 74 and name HA) (resid 74 and name HN) 2.855 2.855 1.519 weight 1.000 ! spec=HCH, no=1364, id=2967, vol=2.020000e+07
assign (resid 6 and name HB2) (resid 6 and name HA) 2.855 2.855 1.519 weight 1.000 ! spec=HCH, no=1365, id=2968, vol=2.020000e+07
assign (resid 25 and name HB1) (resid 29 and name HB2) 2.854 2.854 1.518 weight 1.000 ! spec=HCH, no=1367, id=2970, vol=2.020000e+07
or (resid 25 and name HB1) (resid 29 and name HB1)
assign (resid 121 and name HB) (resid 121 and name HG12) 2.854 2.854 1.518 weight 1.000 ! spec=HCH, no=1368, id=2971, vol=2.020000e+07
assign (resid 18 and name HA) (resid 18 and name HD1) 2.853 2.853 1.517 weight 1.000 ! spec=HCH, no=1370, id=2973, vol=2.020000e+07
or (resid 18 and name HA) (resid 18 and name HD2)
assign (resid 6 and name HB1) (resid 17 and name HB1) 2.853 2.853 1.517 weight 1.000 ! spec=HCH, no=1371, id=2974, vol=2.020000e+07
assign (resid 7 and name HD1) (resid 7 and name HG2) 2.852 2.852 1.517 weight 1.000 ! spec=HCH, no=1374, id=2977, vol=2.030000e+07
assign (resid 7 and name HD1) (resid 7 and name HG1) 2.851 2.851 1.516 weight 1.000 ! spec=HCH, no=1377, id=2980, vol=2.030000e+07
assign (resid 80 and name HA) (resid 80 and name HD12) 2.850 2.850 1.515 weight 1.000 ! spec=HCH, no=1383, id=2986, vol=2.040000e+07
or (resid 80 and name HA) (resid 80 and name HD11)
or (resid 80 and name HA) (resid 80 and name HD13)
assign (resid 50 and name HD12) (resid 50 and name HN) 2.850 2.850 1.515 weight 1.000 ! spec=HCH, no=1384, id=2987, vol=2.040000e+07
or (resid 50 and name HD11) (resid 50 and name HN)
or (resid 50 and name HD13) (resid 50 and name HN)
assign (resid 41 and name HG) (resid 31 and name HA) 2.849 2.849 1.515 weight 1.000 ! spec=HCH, no=1386, id=2989, vol=2.040000e+07
assign (resid 19 and name HB2) (resid 19 and name HA) 2.847 2.847 1.513 weight 1.000 ! spec=HCH, no=1391, id=2994, vol=2.050000e+07
assign (resid 82 and name HN) (resid 81 and name HA) 2.847 2.847 1.513 weight 1.000 ! spec=HCH, no=1393, id=2996, vol=2.050000e+07
assign (resid 119 and name HG2) (resid 119 and name HD2) 2.845 2.845 1.512 weight 1.000 ! spec=HCH, no=1395, id=2998, vol=2.060000e+07
assign (resid 68 and name HD12) (resid 77 and name HE3) 2.845 2.845 1.512 weight 1.000 ! spec=HCH, no=1396, id=2999, vol=2.060000e+07
or (resid 68 and name HD11) (resid 77 and name HE3)
or (resid 68 and name HD13) (resid 77 and name HE3)
assign (resid 80 and name HD12) (resid 41 and name HD22) 2.845 2.845 1.511 weight 1.000 ! spec=HCH, no=1397, id=3000, vol=2.060000e+07
or (resid 80 and name HD12) (resid 41 and name HD21)
or (resid 80 and name HD12) (resid 41 and name HD23)
or (resid 80 and name HD11) (resid 41 and name HD22)
or (resid 80 and name HD11) (resid 41 and name HD21)
or (resid 80 and name HD11) (resid 41 and name HD23)
or (resid 80 and name HD13) (resid 41 and name HD22)
or (resid 80 and name HD13) (resid 41 and name HD21)
or (resid 80 and name HD13) (resid 41 and name HD23)
assign (resid 24 and name HB2) (resid 117 and name HB2) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1399, id=3002, vol=2.060000e+07
or (resid 24 and name HB2) (resid 117 and name HB1)
assign (resid 103 and name HA) (resid 65 and name HA) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1401, id=3004, vol=2.060000e+07
assign (resid 11 and name HB2) (resid 18 and name HB1) 2.844 2.844 1.511 weight 1.000 ! spec=HCH, no=1403, id=3006, vol=2.060000e+07
or (resid 11 and name HB1) (resid 18 and name HB1)
assign (resid 120 and name HB2) (resid 120 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HCH, no=1404, id=3007, vol=2.070000e+07
assign (resid 66 and name HG22) (resid 103 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HCH, no=1407, id=3010, vol=2.070000e+07
or (resid 66 and name HG21) (resid 103 and name HA)
or (resid 66 and name HG23) (resid 103 and name HA)
assign (resid 50 and name HN) (resid 50 and name HB1) 2.842 2.842 1.51 weight 1.000 ! spec=HCH, no=1409, id=3012, vol=2.070000e+07
assign (resid 37 and name HE2) (resid 37 and name HB1) 2.841 2.841 1.509 weight 1.000 ! spec=HCH, no=1413, id=3016, vol=2.080000e+07
or (resid 37 and name HE1) (resid 37 and name HB1)
assign (resid 53 and name HD12) (resid 18 and name HE1) 2.840 2.840 1.508 weight 1.000 ! spec=HCH, no=1414, id=3017, vol=2.080000e+07
or (resid 53 and name HD12) (resid 18 and name HE2)
or (resid 53 and name HD11) (resid 18 and name HE1)
or (resid 53 and name HD11) (resid 18 and name HE2)
or (resid 53 and name HD13) (resid 18 and name HE1)
or (resid 53 and name HD13) (resid 18 and name HE2)
assign (resid 53 and name HN) (resid 53 and name HB1) 2.839 2.839 1.508 weight 1.000 ! spec=HCH, no=1415, id=3018, vol=2.080000e+07
assign (resid 33 and name HN) (resid 33 and name HB2) 2.839 2.839 1.507 weight 1.000 ! spec=HCH, no=1417, id=3020, vol=2.090000e+07
assign (resid 49 and name HG1) (resid 49 and name HA) 2.837 2.837 1.506 weight 1.000 ! spec=HCH, no=1421, id=3024, vol=2.090000e+07
assign (resid 107 and name HB1) (resid 54 and name HD22) 2.837 2.837 1.506 weight 1.000 ! spec=HCH, no=1422, id=3025, vol=2.100000e+07
or (resid 107 and name HB1) (resid 54 and name HD21)
or (resid 107 and name HB1) (resid 54 and name HD23)
assign (resid 85 and name HB2) (resid 85 and name HA) 2.836 2.836 1.506 weight 1.000 ! spec=HCH, no=1423, id=3026, vol=2.100000e+07
assign (resid 93 and name HG21) (resid 94 and name HA1) 2.836 2.836 1.506 weight 1.000 ! spec=HCH, no=1424, id=3027, vol=2.100000e+07
or (resid 93 and name HG22) (resid 94 and name HA1)
or (resid 93 and name HG23) (resid 94 and name HA1)
assign (resid 91 and name HG1) (resid 91 and name HA) 2.836 2.836 1.505 weight 1.000 ! spec=HCH, no=1425, id=3028, vol=2.100000e+07
assign (resid 118 and name HB1) (resid 118 and name HA) 2.836 2.836 1.505 weight 1.000 ! spec=HCH, no=1426, id=3029, vol=2.100000e+07
assign (resid 80 and name HG12) (resid 80 and name HB) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1430, id=3033, vol=2.110000e+07
assign (resid 53 and name HD22) (resid 42 and name HG1) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1431, id=3034, vol=2.110000e+07
or (resid 53 and name HD21) (resid 42 and name HG1)
or (resid 53 and name HD23) (resid 42 and name HG1)
assign (resid 31 and name HB1) (resid 28 and name HA) 2.834 2.834 1.504 weight 1.000 ! spec=HCH, no=1432, id=3035, vol=2.110000e+07
assign (resid 80 and name HG12) (resid 80 and name HN) 2.831 2.831 1.502 weight 1.000 ! spec=HCH, no=1438, id=3041, vol=2.120000e+07
assign (resid 92 and name HA) (resid 92 and name HG12) 2.830 2.830 1.501 weight 1.000 ! spec=HCH, no=1441, id=3044, vol=2.130000e+07
assign (resid 20 and name HN) (resid 20 and name HG12) 2.829 2.829 1.501 weight 1.000 ! spec=HCH, no=1443, id=3046, vol=2.130000e+07
or (resid 20 and name HN) (resid 20 and name HG11)
or (resid 20 and name HN) (resid 20 and name HG13)
assign (resid 79 and name HA) (resid 68 and name HD22) 2.829 2.829 1.5 weight 1.000 ! spec=HCH, no=1445, id=3048, vol=2.130000e+07
or (resid 79 and name HA) (resid 68 and name HD21)
or (resid 79 and name HA) (resid 68 and name HD23)
assign (resid 58 and name HG1) (resid 58 and name HA) 2.828 2.828 1.5 weight 1.000 ! spec=HCH, no=1446, id=3049, vol=2.130000e+07
assign (resid 29 and name HG2) (resid 29 and name HA) 2.828 2.828 1.499 weight 1.000 ! spec=HCH, no=1449, id=3052, vol=2.140000e+07
assign (resid 28 and name HA) (resid 31 and name HD12) 2.827 2.827 1.499 weight 1.000 ! spec=HCH, no=1451, id=3054, vol=2.140000e+07
or (resid 28 and name HA) (resid 31 and name HD11)
or (resid 28 and name HA) (resid 31 and name HD13)
assign (resid 126 and name HD22) (resid 3 and name HB2) 2.824 2.824 1.497 weight 1.000 ! spec=HCH, no=1457, id=3060, vol=2.150000e+07
or (resid 126 and name HD22) (resid 3 and name HB1)
or (resid 126 and name HD21) (resid 3 and name HB2)
or (resid 126 and name HD21) (resid 3 and name HB1)
or (resid 126 and name HD23) (resid 3 and name HB2)
or (resid 126 and name HD23) (resid 3 and name HB1)
assign (resid 108 and name HG1) (resid 110 and name HG21) 2.822 2.822 1.495 weight 1.000 ! spec=HCH, no=1462, id=3065, vol=2.160000e+07
or (resid 108 and name HG1) (resid 110 and name HG22)
or (resid 108 and name HG1) (resid 110 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HA) 2.821 2.821 1.495 weight 1.000 ! spec=HCH, no=1463, id=3066, vol=2.160000e+07
assign (resid 122 and name HB1) (resid 39 and name HB2) 2.820 2.820 1.494 weight 1.000 ! spec=HCH, no=1469, id=3072, vol=2.170000e+07
or (resid 122 and name HB1) (resid 39 and name HB1)
or (resid 122 and name HB1) (resid 39 and name HB3)
assign (resid 92 and name HG11) (resid 92 and name HA) 2.819 2.819 1.494 weight 1.000 ! spec=HCH, no=1471, id=3074, vol=2.170000e+07
assign (resid 121 and name HG22) (resid 42 and name HG1) 2.818 2.818 1.493 weight 1.000 ! spec=HCH, no=1472, id=3075, vol=2.180000e+07
or (resid 121 and name HG21) (resid 42 and name HG1)
or (resid 121 and name HG23) (resid 42 and name HG1)
assign (resid 24 and name HA) (resid 120 and name HZ3) 2.818 2.818 1.493 weight 1.000 ! spec=HCH, no=1473, id=3076, vol=2.180000e+07
assign (resid 34 and name HB1) (resid 39 and name HB2) 2.818 2.818 1.492 weight 1.000 ! spec=HCH, no=1474, id=3077, vol=2.180000e+07
or (resid 34 and name HB1) (resid 39 and name HB1)
or (resid 34 and name HB1) (resid 39 and name HB3)
assign (resid 124 and name HB1) (resid 124 and name HD1) 2.815 2.815 1.491 weight 1.000 ! spec=HCH, no=1477, id=3080, vol=2.190000e+07
assign (resid 50 and name HA) (resid 53 and name HD12) 2.815 2.815 1.491 weight 1.000 ! spec=HCH, no=1478, id=3081, vol=2.190000e+07
or (resid 50 and name HA) (resid 53 and name HD11)
or (resid 50 and name HA) (resid 53 and name HD13)
assign (resid 122 and name HA) (resid 41 and name HD12) 2.815 2.815 1.49 weight 1.000 ! spec=HCH, no=1479, id=3082, vol=2.200000e+07
or (resid 122 and name HA) (resid 41 and name HD11)
or (resid 122 and name HA) (resid 41 and name HD13)
assign (resid 18 and name HB1) (resid 18 and name HD1) 2.814 2.814 1.49 weight 1.000 ! spec=HCH, no=1481, id=3084, vol=2.200000e+07
or (resid 18 and name HB1) (resid 18 and name HD2)
assign (resid 16 and name HG1) (resid 16 and name HA) 2.814 2.814 1.49 weight 1.000 ! spec=HCH, no=1482, id=3085, vol=2.200000e+07
assign (resid 3 and name HG2) (resid 126 and name HB1) 2.812 2.812 1.488 weight 1.000 ! spec=HCH, no=1484, id=3087, vol=2.210000e+07
or (resid 3 and name HG1) (resid 126 and name HB1)
assign (resid 73 and name HD2) (resid 73 and name HB2) 2.809 2.809 1.487 weight 1.000 ! spec=HCH, no=1487, id=3090, vol=2.220000e+07
or (resid 73 and name HD2) (resid 73 and name HB1)
assign (resid 84 and name HN) (resid 84 and name HB) 2.809 2.809 1.486 weight 1.000 ! spec=HCH, no=1488, id=3091, vol=2.220000e+07
assign (resid 58 and name HG1) (resid 59 and name HA) 2.807 2.807 1.485 weight 1.000 ! spec=HCH, no=1492, id=3094, vol=2.230000e+07
assign (resid 50 and name HB2) (resid 50 and name HA) 2.807 2.807 1.485 weight 1.000 ! spec=HCH, no=1493, id=3095, vol=2.230000e+07
assign (resid 69 and name HD1) (resid 69 and name HB2) 2.806 2.806 1.485 weight 1.000 ! spec=HCH, no=1495, id=3097, vol=2.230000e+07
assign (resid 16 and name HB2) (resid 16 and name HA) 2.806 2.806 1.484 weight 1.000 ! spec=HCH, no=1497, id=3099, vol=2.240000e+07
assign (resid 119 and name HG1) (resid 119 and name HD2) 2.805 2.805 1.483 weight 1.000 ! spec=HCH, no=1503, id=3105, vol=2.240000e+07
assign (resid 18 and name HB2) (resid 18 and name HD1) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1506, id=3108, vol=2.240000e+07
or (resid 18 and name HB2) (resid 18 and name HD2)
assign (resid 120 and name HB1) (resid 120 and name HA) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1508, id=3110, vol=2.250000e+07
assign (resid 96 and name HG21) (resid 93 and name HG21) 2.804 2.804 1.483 weight 1.000 ! spec=HCH, no=1510, id=3112, vol=2.250000e+07
or (resid 96 and name HG21) (resid 93 and name HG22)
or (resid 96 and name HG21) (resid 93 and name HG23)
or (resid 96 and name HG22) (resid 93 and name HG21)
or (resid 96 and name HG22) (resid 93 and name HG22)
or (resid 96 and name HG22) (resid 93 and name HG23)
or (resid 96 and name HG23) (resid 93 and name HG21)
or (resid 96 and name HG23) (resid 93 and name HG22)
or (resid 96 and name HG23) (resid 93 and name HG23)
assign (resid 41 and name HN) (resid 31 and name HD22) 2.802 2.802 1.482 weight 1.000 ! spec=HCH, no=1513, id=3115, vol=2.250000e+07
or (resid 41 and name HN) (resid 31 and name HD21)
or (resid 41 and name HN) (resid 31 and name HD23)
assign (resid 57 and name HG12) (resid 57 and name HA) 2.802 2.802 1.481 weight 1.000 ! spec=HCH, no=1514, id=3116, vol=2.260000e+07
assign (resid 120 and name HB2) (resid 120 and name HB1) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1515, id=3117, vol=2.260000e+07
assign (resid 105 and name HN) (resid 105 and name HB2) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1516, id=3118, vol=2.260000e+07
assign (resid 102 and name HA) (resid 111 and name HA) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1517, id=3119, vol=2.260000e+07
assign (resid 44 and name HD12) (resid 42 and name HG1) 2.801 2.801 1.481 weight 1.000 ! spec=HCH, no=1518, id=3120, vol=2.260000e+07
or (resid 44 and name HD11) (resid 42 and name HG1)
or (resid 44 and name HD13) (resid 42 and name HG1)
assign (resid 41 and name HB1) (resid 41 and name HA) 2.799 2.799 1.479 weight 1.000 ! spec=HCH, no=1520, id=3122, vol=2.270000e+07
assign (resid 81 and name HN) (resid 81 and name HA) 2.798 2.798 1.478 weight 1.000 ! spec=HCH, no=1523, id=3125, vol=2.280000e+07
assign (resid 67 and name HA1) (resid 80 and name HG22) 2.797 2.797 1.478 weight 1.000 ! spec=HCH, no=1525, id=3127, vol=2.280000e+07
or (resid 67 and name HA1) (resid 80 and name HG21)
or (resid 67 and name HA1) (resid 80 and name HG23)
assign (resid 69 and name HA) (resid 77 and name HZ3) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1528, id=3130, vol=2.280000e+07
assign (resid 31 and name HB2) (resid 31 and name HA) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1529, id=3131, vol=2.290000e+07
assign (resid 49 and name HG2) (resid 49 and name HA) 2.796 2.796 1.477 weight 1.000 ! spec=HCH, no=1530, id=3132, vol=2.290000e+07
assign (resid 124 and name HG2) (resid 124 and name HE2) 2.795 2.795 1.476 weight 1.000 ! spec=HCH, no=1533, id=3135, vol=2.290000e+07
or (resid 124 and name HG2) (resid 124 and name HE1)
assign (resid 119 and name HA) (resid 119 and name HB1) 2.794 2.794 1.476 weight 1.000 ! spec=HCH, no=1535, id=3137, vol=2.300000e+07
assign (resid 81 and name HD22) (resid 43 and name HD12) 2.793 2.793 1.475 weight 1.000 ! spec=HCH, no=1536, id=3138, vol=2.300000e+07
or (resid 81 and name HD22) (resid 43 and name HD11)
or (resid 81 and name HD22) (resid 43 and name HD13)
assign (resid 66 and name HA) (resid 41 and name HD12) 2.792 2.792 1.475 weight 1.000 ! spec=HCH, no=1537, id=3139, vol=2.300000e+07
or (resid 66 and name HA) (resid 41 and name HD11)
or (resid 66 and name HA) (resid 41 and name HD13)
assign (resid 124 and name HD2) (resid 124 and name HE2) 2.791 2.791 1.474 weight 1.000 ! spec=HCH, no=1541, id=3143, vol=2.310000e+07
or (resid 124 and name HD2) (resid 124 and name HE1)
assign (resid 18 and name HB2) (resid 18 and name HA) 2.791 2.791 1.474 weight 1.000 ! spec=HCH, no=1542, id=3144, vol=2.310000e+07
assign (resid 39 and name HB2) (resid 124 and name HD2) 2.790 2.790 1.473 weight 1.000 ! spec=HCH, no=1544, id=3146, vol=2.310000e+07
or (resid 39 and name HB1) (resid 124 and name HD2)
or (resid 39 and name HB3) (resid 124 and name HD2)
assign (resid 120 and name HA) (resid 41 and name HD12) 2.789 2.789 1.472 weight 1.000 ! spec=HCH, no=1546, id=3148, vol=2.320000e+07
or (resid 120 and name HA) (resid 41 and name HD11)
or (resid 120 and name HA) (resid 41 and name HD13)
assign (resid 19 and name HN) (resid 121 and name HG22) 2.788 2.788 1.472 weight 1.000 ! spec=HCH, no=1548, id=3150, vol=2.320000e+07
or (resid 19 and name HN) (resid 121 and name HG21)
or (resid 19 and name HN) (resid 121 and name HG23)
assign (resid 11 and name HB2) (resid 11 and name HA) 2.788 2.788 1.471 weight 1.000 ! spec=HCH, no=1550, id=3152, vol=2.330000e+07
or (resid 11 and name HB1) (resid 11 and name HA)
assign (resid 114 and name HB2) (resid 114 and name HA) 2.787 2.787 1.471 weight 1.000 ! spec=HCH, no=1552, id=3154, vol=2.330000e+07
assign (resid 65 and name HB1) (resid 65 and name HB2) 2.786 2.786 1.47 weight 1.000 ! spec=HCH, no=1556, id=3158, vol=2.330000e+07
assign (resid 90 and name HB1) (resid 90 and name HA) 2.786 2.786 1.47 weight 1.000 ! spec=HCH, no=1558, id=3160, vol=2.340000e+07
assign (resid 70 and name HB1) (resid 70 and name HB2) 2.784 2.784 1.469 weight 1.000 ! spec=HCH, no=1560, id=3162, vol=2.340000e+07
assign (resid 104 and name HG22) (resid 64 and name HB2) 2.783 2.783 1.468 weight 1.000 ! spec=HCH, no=1566, id=3168, vol=2.350000e+07
or (resid 104 and name HG21) (resid 64 and name HB2)
or (resid 104 and name HG23) (resid 64 and name HB2)
assign (resid 23 and name HN) (resid 23 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HCH, no=1568, id=3170, vol=2.360000e+07
assign (resid 78 and name HB2) (resid 78 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HCH, no=1569, id=3171, vol=2.360000e+07
assign (resid 34 and name HB1) (resid 34 and name HN) 2.780 2.780 1.466 weight 1.000 ! spec=HCH, no=1570, id=3172, vol=2.370000e+07
assign (resid 119 and name HA) (resid 119 and name HB2) 2.779 2.779 1.465 weight 1.000 ! spec=HCH, no=1573, id=3175, vol=2.370000e+07
assign (resid 7 and name HG2) (resid 7 and name HB2) 2.779 2.779 1.465 weight 1.000 ! spec=HCH, no=1575, id=3177, vol=2.370000e+07
assign (resid 50 and name HD22) (resid 50 and name HN) 2.778 2.778 1.465 weight 1.000 ! spec=HCH, no=1577, id=3179, vol=2.370000e+07
or (resid 50 and name HD21) (resid 50 and name HN)
or (resid 50 and name HD23) (resid 50 and name HN)
assign (resid 43 and name HB2) (resid 43 and name HG) 2.778 2.778 1.465 weight 1.000 ! spec=HCH, no=1578, id=3180, vol=2.370000e+07
assign (resid 78 and name HB1) (resid 78 and name HA) 2.777 2.777 1.464 weight 1.000 ! spec=HCH, no=1580, id=3182, vol=2.380000e+07
assign (resid 51 and name HG2) (resid 51 and name HA) 2.776 2.776 1.463 weight 1.000 ! spec=HCH, no=1586, id=3188, vol=2.390000e+07
assign (resid 66 and name HN) (resid 103 and name HB2) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1587, id=3189, vol=2.390000e+07
or (resid 66 and name HN) (resid 103 and name HB1)
or (resid 66 and name HN) (resid 103 and name HB3)
assign (resid 92 and name HG22) (resid 109 and name HB) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1588, id=3190, vol=2.390000e+07
or (resid 92 and name HG21) (resid 109 and name HB)
or (resid 92 and name HG23) (resid 109 and name HB)
assign (resid 108 and name HB2) (resid 110 and name HG21) 2.775 2.775 1.463 weight 1.000 ! spec=HCH, no=1590, id=3192, vol=2.390000e+07
or (resid 108 and name HB2) (resid 110 and name HG22)
or (resid 108 and name HB2) (resid 110 and name HG23)
or (resid 108 and name HB1) (resid 110 and name HG21)
or (resid 108 and name HB1) (resid 110 and name HG22)
or (resid 108 and name HB1) (resid 110 and name HG23)
assign (resid 43 and name HN) (resid 42 and name HE2) 2.773 2.773 1.461 weight 1.000 ! spec=HCH, no=1594, id=3196, vol=2.400000e+07
or (resid 43 and name HN) (resid 42 and name HE1)
or (resid 43 and name HN) (resid 42 and name HE3)
assign (resid 58 and name HD2) (resid 59 and name HA) 2.772 2.772 1.46 weight 1.000 ! spec=HCH, no=1597, id=3199, vol=2.410000e+07
or (resid 58 and name HD1) (resid 59 and name HA)
assign (resid 80 and name HG11) (resid 80 and name HD12) 2.771 2.771 1.46 weight 1.000 ! spec=HCH, no=1598, id=3200, vol=2.410000e+07
or (resid 80 and name HG11) (resid 80 and name HD11)
or (resid 80 and name HG11) (resid 80 and name HD13)
assign (resid 122 and name HB2) (resid 122 and name HA) 2.770 2.770 1.459 weight 1.000 ! spec=HCH, no=1600, id=3202, vol=2.420000e+07
assign (resid 91 and name HG1) (resid 109 and name HG22) 2.770 2.770 1.459 weight 1.000 ! spec=HCH, no=1601, id=3203, vol=2.420000e+07
or (resid 91 and name HG1) (resid 109 and name HG21)
or (resid 91 and name HG1) (resid 109 and name HG23)
assign (resid 105 and name HN) (resid 105 and name HB1) 2.768 2.768 1.458 weight 1.000 ! spec=HCH, no=1605, id=3206, vol=2.430000e+07
assign (resid 50 and name HB1) (resid 50 and name HA) 2.767 2.767 1.457 weight 1.000 ! spec=HCH, no=1609, id=3210, vol=2.430000e+07
assign (resid 75 and name HB1) (resid 75 and name HA) 2.766 2.766 1.456 weight 1.000 ! spec=HCH, no=1613, id=3214, vol=2.440000e+07
assign (resid 8 and name HG2) (resid 9 and name HB2) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1614, id=3215, vol=2.440000e+07
or (resid 8 and name HG1) (resid 9 and name HB2)
assign (resid 52 and name HB1) (resid 49 and name HA) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1615, id=3216, vol=2.440000e+07
assign (resid 4 and name HB2) (resid 5 and name HN) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1616, id=3217, vol=2.440000e+07
assign (resid 60 and name HB1) (resid 60 and name HA) 2.765 2.765 1.456 weight 1.000 ! spec=HCH, no=1620, id=3221, vol=2.440000e+07
assign (resid 59 and name HG2) (resid 59 and name HA) 2.765 2.765 1.455 weight 1.000 ! spec=HCH, no=1622, id=3223, vol=2.450000e+07
assign (resid 53 and name HD22) (resid 52 and name HB1) 2.765 2.765 1.455 weight 1.000 ! spec=HCH, no=1623, id=3224, vol=2.450000e+07
or (resid 53 and name HD21) (resid 52 and name HB1)
or (resid 53 and name HD23) (resid 52 and name HB1)
assign (resid 16 and name HG2) (resid 16 and name HA) 2.764 2.764 1.455 weight 1.000 ! spec=HCH, no=1624, id=3225, vol=2.450000e+07
assign (resid 97 and name HA) (resid 98 and name HN) 2.764 2.764 1.455 weight 1.000 ! spec=HCH, no=1625, id=3226, vol=2.450000e+07
assign (resid 45 and name HN) (resid 45 and name HA) 2.763 2.763 1.454 weight 1.000 ! spec=HCH, no=1628, id=3229, vol=2.460000e+07
assign (resid 97 and name HG2) (resid 97 and name HA) 2.763 2.763 1.454 weight 1.000 ! spec=HCH, no=1629, id=3230, vol=2.460000e+07
assign (resid 135 and name HA) (resid 135 and name HG22) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1636, id=3237, vol=2.480000e+07
or (resid 135 and name HA) (resid 135 and name HG21)
or (resid 135 and name HA) (resid 135 and name HG23)
assign (resid 68 and name HD22) (resid 68 and name HB2) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1638, id=3239, vol=2.480000e+07
or (resid 68 and name HD21) (resid 68 and name HB2)
or (resid 68 and name HD23) (resid 68 and name HB2)
assign (resid 72 and name HB1) (resid 72 and name HA) 2.759 2.759 1.451 weight 1.000 ! spec=HCH, no=1639, id=3240, vol=2.480000e+07
assign (resid 66 and name HN) (resid 66 and name HG22) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1640, id=3241, vol=2.480000e+07
or (resid 66 and name HN) (resid 66 and name HG21)
or (resid 66 and name HN) (resid 66 and name HG23)
assign (resid 129 and name HB1) (resid 129 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1641, id=3242, vol=2.480000e+07
assign (resid 126 and name HD22) (resid 15 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HCH, no=1644, id=3245, vol=2.480000e+07
or (resid 126 and name HD21) (resid 15 and name HA)
or (resid 126 and name HD23) (resid 15 and name HA)
assign (resid 17 and name HB2) (resid 17 and name HA) 2.757 2.757 1.45 weight 1.000 ! spec=HCH, no=1645, id=3246, vol=2.480000e+07
assign (resid 119 and name HA) (resid 24 and name HA) 2.756 2.756 1.45 weight 1.000 ! spec=HCH, no=1647, id=3248, vol=2.490000e+07
assign (resid 24 and name HB1) (resid 24 and name HN) 2.756 2.756 1.45 weight 1.000 ! spec=HCH, no=1648, id=3249, vol=2.490000e+07
assign (resid 124 and name HD1) (resid 124 and name HE2) 2.756 2.756 1.449 weight 1.000 ! spec=HCH, no=1649, id=3250, vol=2.490000e+07
or (resid 124 and name HD1) (resid 124 and name HE1)
assign (resid 18 and name HB2) (resid 11 and name HB2) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1650, id=3251, vol=2.490000e+07
or (resid 18 and name HB2) (resid 11 and name HB1)
assign (resid 54 and name HD12) (resid 107 and name HA) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1651, id=3252, vol=2.500000e+07
or (resid 54 and name HD11) (resid 107 and name HA)
or (resid 54 and name HD13) (resid 107 and name HA)
assign (resid 21 and name HN) (resid 21 and name HB1) 2.755 2.755 1.449 weight 1.000 ! spec=HCH, no=1652, id=3253, vol=2.500000e+07
assign (resid 124 and name HB2) (resid 124 and name HD2) 2.753 2.753 1.448 weight 1.000 ! spec=HCH, no=1653, id=3254, vol=2.510000e+07
assign (resid 42 and name HG2) (resid 66 and name HG22) 2.752 2.752 1.447 weight 1.000 ! spec=HCH, no=1657, id=3258, vol=2.510000e+07
or (resid 42 and name HG2) (resid 66 and name HG21)
or (resid 42 and name HG2) (resid 66 and name HG23)
assign (resid 90 and name HB2) (resid 90 and name HA) 2.752 2.752 1.447 weight 1.000 ! spec=HCH, no=1658, id=3259, vol=2.510000e+07
assign (resid 35 and name HB2) (resid 32 and name HG22) 2.750 2.750 1.445 weight 1.000 ! spec=HCH, no=1662, id=3263, vol=2.520000e+07
or (resid 35 and name HB2) (resid 32 and name HG21)
or (resid 35 and name HB2) (resid 32 and name HG23)
assign (resid 73 and name HD1) (resid 73 and name HG1) 2.750 2.750 1.445 weight 1.000 ! spec=HCH, no=1664, id=3265, vol=2.530000e+07
assign (resid 7 and name HG1) (resid 7 and name HD2) 2.749 2.749 1.445 weight 1.000 ! spec=HCH, no=1665, id=3266, vol=2.530000e+07
assign (resid 57 and name HN) (resid 57 and name HA) 2.748 2.748 1.444 weight 1.000 ! spec=HCH, no=1666, id=3267, vol=2.530000e+07
assign (resid 13 and name HB2) (resid 13 and name HA) 2.748 2.748 1.444 weight 1.000 ! spec=HCH, no=1667, id=3268, vol=2.530000e+07
assign (resid 60 and name HA) (resid 57 and name HG22) 2.747 2.747 1.444 weight 1.000 ! spec=HCH, no=1669, id=3270, vol=2.540000e+07
or (resid 60 and name HA) (resid 57 and name HG21)
or (resid 60 and name HA) (resid 57 and name HG23)
assign (resid 126 and name HB1) (resid 126 and name HA) 2.745 2.745 1.442 weight 1.000 ! spec=HCH, no=1675, id=3276, vol=2.550000e+07
assign (resid 126 and name HB2) (resid 126 and name HA) 2.744 2.744 1.441 weight 1.000 ! spec=HCH, no=1676, id=3277, vol=2.560000e+07
assign (resid 31 and name HB1) (resid 31 and name HG) 2.743 2.743 1.441 weight 1.000 ! spec=HCH, no=1679, id=3280, vol=2.560000e+07
assign (resid 42 and name HG2) (resid 53 and name HD12) 2.743 2.743 1.44 weight 1.000 ! spec=HCH, no=1680, id=3281, vol=2.560000e+07
or (resid 42 and name HG2) (resid 53 and name HD11)
or (resid 42 and name HG2) (resid 53 and name HD13)
assign (resid 64 and name HB2) (resid 121 and name HD12) 2.742 2.742 1.44 weight 1.000 ! spec=HCH, no=1681, id=3282, vol=2.570000e+07
or (resid 64 and name HB2) (resid 121 and name HD11)
or (resid 64 and name HB2) (resid 121 and name HD13)
assign (resid 67 and name HN) (resid 66 and name HA) 2.742 2.742 1.44 weight 1.000 ! spec=HCH, no=1682, id=3283, vol=2.570000e+07
assign (resid 44 and name HD12) (resid 44 and name HA) 2.741 2.741 1.439 weight 1.000 ! spec=HCH, no=1684, id=3285, vol=2.570000e+07
or (resid 44 and name HD11) (resid 44 and name HA)
or (resid 44 and name HD13) (resid 44 and name HA)
assign (resid 123 and name HE21) (resid 43 and name HD22) 2.740 2.740 1.439 weight 1.000 ! spec=HCH, no=1685, id=3286, vol=2.580000e+07
or (resid 123 and name HE21) (resid 43 and name HD21)
or (resid 123 and name HE21) (resid 43 and name HD23)
assign (resid 22 and name HG1) (resid 22 and name HA) 2.739 2.739 1.438 weight 1.000 ! spec=HCH, no=1687, id=3288, vol=2.580000e+07
assign (resid 19 and name HA) (resid 20 and name HG22) 2.737 2.737 1.436 weight 1.000 ! spec=HCH, no=1691, id=3292, vol=2.600000e+07
or (resid 19 and name HA) (resid 20 and name HG21)
or (resid 19 and name HA) (resid 20 and name HG23)
assign (resid 5 and name HA) (resid 126 and name HD12) 2.736 2.736 1.436 weight 1.000 ! spec=HCH, no=1693, id=3294, vol=2.600000e+07
or (resid 5 and name HA) (resid 126 and name HD11)
or (resid 5 and name HA) (resid 126 and name HD13)
assign (resid 127 and name HA) (resid 4 and name HD12) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1695, id=3296, vol=2.610000e+07
or (resid 127 and name HA) (resid 4 and name HD11)
or (resid 127 and name HA) (resid 4 and name HD13)
assign (resid 121 and name HG22) (resid 53 and name HG) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1696, id=3297, vol=2.610000e+07
or (resid 121 and name HG21) (resid 53 and name HG)
or (resid 121 and name HG23) (resid 53 and name HG)
assign (resid 59 and name HB1) (resid 59 and name HA) 2.735 2.735 1.435 weight 1.000 ! spec=HCH, no=1697, id=3298, vol=2.610000e+07
assign (resid 49 and name HB2) (resid 49 and name HN) 2.733 2.733 1.434 weight 1.000 ! spec=HCH, no=1702, id=3303, vol=2.620000e+07
assign (resid 79 and name HA) (resid 68 and name HA) 2.733 2.733 1.434 weight 1.000 ! spec=HCH, no=1703, id=3304, vol=2.620000e+07
assign (resid 64 and name HA) (resid 119 and name HN) 2.732 2.732 1.433 weight 1.000 ! spec=HCH, no=1705, id=3306, vol=2.620000e+07
assign (resid 7 and name HG1) (resid 7 and name HB2) 2.732 2.732 1.433 weight 1.000 ! spec=HCH, no=1708, id=3309, vol=2.630000e+07
assign (resid 124 and name HG2) (resid 39 and name HA) 2.731 2.731 1.432 weight 1.000 ! spec=HCH, no=1709, id=3310, vol=2.630000e+07
assign (resid 123 and name HB2) (resid 123 and name HA) 2.731 2.731 1.432 weight 1.000 ! spec=HCH, no=1710, id=3311, vol=2.630000e+07
assign (resid 68 and name HD22) (resid 77 and name HE3) 2.729 2.729 1.431 weight 1.000 ! spec=HCH, no=1715, id=3316, vol=2.640000e+07
or (resid 68 and name HD21) (resid 77 and name HE3)
or (resid 68 and name HD23) (resid 77 and name HE3)
assign (resid 12 and name HB2) (resid 11 and name HA) 2.729 2.729 1.431 weight 1.000 ! spec=HCH, no=1716, id=3317, vol=2.640000e+07
or (resid 12 and name HB1) (resid 11 and name HA)
assign (resid 22 and name HG2) (resid 22 and name HA) 2.728 2.728 1.43 weight 1.000 ! spec=HCH, no=1721, id=3322, vol=2.650000e+07
assign (resid 123 and name HB1) (resid 123 and name HA) 2.727 2.727 1.43 weight 1.000 ! spec=HCH, no=1724, id=3325, vol=2.650000e+07
assign (resid 63 and name HA) (resid 103 and name HB2) 2.727 2.727 1.429 weight 1.000 ! spec=HCH, no=1728, id=3329, vol=2.660000e+07
or (resid 63 and name HA) (resid 103 and name HB1)
or (resid 63 and name HA) (resid 103 and name HB3)
assign (resid 124 and name HE2) (resid 37 and name HB2) 2.727 2.727 1.429 weight 1.000 ! spec=HCH, no=1729, id=3330, vol=2.660000e+07
or (resid 124 and name HE1) (resid 37 and name HB2)
assign (resid 5 and name HN) (resid 5 and name HB1) 2.726 2.726 1.429 weight 1.000 ! spec=HCH, no=1732, id=3333, vol=2.660000e+07
assign (resid 119 and name HA) (resid 119 and name HG2) 2.726 2.726 1.429 weight 1.000 ! spec=HCH, no=1733, id=3334, vol=2.660000e+07
assign (resid 44 and name HN) (resid 43 and name HA) 2.725 2.725 1.428 weight 1.000 ! spec=HCH, no=1735, id=3336, vol=2.670000e+07
assign (resid 57 and name HD12) (resid 64 and name HD1) 2.724 2.724 1.427 weight 1.000 ! spec=HCH, no=1738, id=3339, vol=2.670000e+07
or (resid 57 and name HD12) (resid 64 and name HD2)
or (resid 57 and name HD11) (resid 64 and name HD1)
or (resid 57 and name HD11) (resid 64 and name HD2)
or (resid 57 and name HD13) (resid 64 and name HD1)
or (resid 57 and name HD13) (resid 64 and name HD2)
assign (resid 90 and name HN) (resid 89 and name HB) 2.723 2.723 1.427 weight 1.000 ! spec=HCH, no=1740, id=3341, vol=2.680000e+07
assign (resid 85 and name HB1) (resid 85 and name HA) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1741, id=3342, vol=2.680000e+07
assign (resid 92 and name HB) (resid 92 and name HD12) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1743, id=3344, vol=2.690000e+07
or (resid 92 and name HB) (resid 92 and name HD11)
or (resid 92 and name HB) (resid 92 and name HD13)
assign (resid 52 and name HB2) (resid 52 and name HD1) 2.722 2.722 1.426 weight 1.000 ! spec=HCH, no=1744, id=3345, vol=2.690000e+07
or (resid 52 and name HB2) (resid 52 and name HD2)
assign (resid 41 and name HN) (resid 41 and name HD12) 2.721 2.721 1.426 weight 1.000 ! spec=HCH, no=1745, id=3346, vol=2.690000e+07
or (resid 41 and name HN) (resid 41 and name HD11)
or (resid 41 and name HN) (resid 41 and name HD13)
assign (resid 31 and name HB1) (resid 31 and name HD22) 2.720 2.720 1.425 weight 1.000 ! spec=HCH, no=1749, id=3350, vol=2.700000e+07
or (resid 31 and name HB1) (resid 31 and name HD21)
or (resid 31 and name HB1) (resid 31 and name HD23)
assign (resid 96 and name HG21) (resid 72 and name HD12) 2.719 2.719 1.424 weight 1.000 ! spec=HCH, no=1751, id=3352, vol=2.700000e+07
or (resid 96 and name HG21) (resid 72 and name HD11)
or (resid 96 and name HG21) (resid 72 and name HD13)
or (resid 96 and name HG22) (resid 72 and name HD12)
or (resid 96 and name HG22) (resid 72 and name HD11)
or (resid 96 and name HG22) (resid 72 and name HD13)
or (resid 96 and name HG23) (resid 72 and name HD12)
or (resid 96 and name HG23) (resid 72 and name HD11)
or (resid 96 and name HG23) (resid 72 and name HD13)
assign (resid 45 and name HG1) (resid 45 and name HA) 2.719 2.719 1.424 weight 1.000 ! spec=HCH, no=1752, id=3353, vol=2.700000e+07
assign (resid 80 and name HN) (resid 43 and name HD12) 2.718 2.718 1.424 weight 1.000 ! spec=HCH, no=1753, id=3354, vol=2.710000e+07
or (resid 80 and name HN) (resid 43 and name HD11)
or (resid 80 and name HN) (resid 43 and name HD13)
assign (resid 85 and name HG) (resid 85 and name HA) 2.715 2.715 1.422 weight 1.000 ! spec=HCH, no=1755, id=3356, vol=2.720000e+07
assign (resid 41 and name HD22) (resid 67 and name HA1) 2.715 2.715 1.421 weight 1.000 ! spec=HCH, no=1756, id=3357, vol=2.730000e+07
or (resid 41 and name HD21) (resid 67 and name HA1)
or (resid 41 and name HD23) (resid 67 and name HA1)
assign (resid 22 and name HB1) (resid 22 and name HA) 2.714 2.714 1.421 weight 1.000 ! spec=HCH, no=1757, id=3358, vol=2.730000e+07
assign (resid 26 and name HG21) (resid 115 and name HB1) 2.709 2.709 1.417 weight 1.000 ! spec=HCH, no=1769, id=3370, vol=2.760000e+07
or (resid 26 and name HG22) (resid 115 and name HB1)
or (resid 26 and name HG23) (resid 115 and name HB1)
assign (resid 41 and name HD12) (resid 30 and name HA2) 2.708 2.708 1.417 weight 1.000 ! spec=HCH, no=1772, id=3373, vol=2.770000e+07
or (resid 41 and name HD11) (resid 30 and name HA2)
or (resid 41 and name HD13) (resid 30 and name HA2)
assign (resid 85 and name HB1) (resid 68 and name HD22) 2.708 2.708 1.416 weight 1.000 ! spec=HCH, no=1773, id=3374, vol=2.770000e+07
or (resid 85 and name HB1) (resid 68 and name HD21)
or (resid 85 and name HB1) (resid 68 and name HD23)
assign (resid 77 and name HB2) (resid 85 and name HD22) 2.707 2.707 1.416 weight 1.000 ! spec=HCH, no=1776, id=3377, vol=2.780000e+07
or (resid 77 and name HB2) (resid 85 and name HD21)
or (resid 77 and name HB2) (resid 85 and name HD23)
assign (resid 111 and name HB2) (resid 111 and name HD1) 2.706 2.706 1.415 weight 1.000 ! spec=HCH, no=1778, id=3379, vol=2.780000e+07
or (resid 111 and name HB2) (resid 111 and name HD2)
assign (resid 100 and name HB2) (resid 100 and name HA) 2.703 2.703 1.413 weight 1.000 ! spec=HCH, no=1779, id=3380, vol=2.800000e+07
assign (resid 51 and name HB2) (resid 51 and name HD2) 2.702 2.702 1.413 weight 1.000 ! spec=HCH, no=1783, id=3384, vol=2.800000e+07
or (resid 51 and name HB1) (resid 51 and name HD2)
assign (resid 69 and name HG2) (resid 69 and name HD1) 2.702 2.702 1.412 weight 1.000 ! spec=HCH, no=1785, id=3386, vol=2.810000e+07
or (resid 69 and name HG1) (resid 69 and name HD1)
assign (resid 72 and name HD12) (resid 70 and name HD1) 2.701 2.701 1.412 weight 1.000 ! spec=HCH, no=1787, id=3388, vol=2.810000e+07
or (resid 72 and name HD12) (resid 70 and name HD2)
or (resid 72 and name HD11) (resid 70 and name HD1)
or (resid 72 and name HD11) (resid 70 and name HD2)
or (resid 72 and name HD13) (resid 70 and name HD1)
or (resid 72 and name HD13) (resid 70 and name HD2)
assign (resid 7 and name HG2) (resid 7 and name HD2) 2.699 2.699 1.41 weight 1.000 ! spec=HCH, no=1791, id=3392, vol=2.830000e+07
assign (resid 45 and name HN) (resid 42 and name HE2) 2.696 2.696 1.409 weight 1.000 ! spec=HCH, no=1793, id=3394, vol=2.840000e+07
or (resid 45 and name HN) (resid 42 and name HE1)
or (resid 45 and name HN) (resid 42 and name HE3)
assign (resid 14 and name HG2) (resid 14 and name HA) 2.696 2.696 1.408 weight 1.000 ! spec=HCH, no=1794, id=3395, vol=2.840000e+07
assign (resid 90 and name HB2) (resid 89 and name HG22) 2.696 2.696 1.408 weight 1.000 ! spec=HCH, no=1795, id=3396, vol=2.850000e+07
or (resid 90 and name HB2) (resid 89 and name HG21)
or (resid 90 and name HB2) (resid 89 and name HG23)
assign (resid 27 and name HB1) (resid 27 and name HB2) 2.695 2.695 1.408 weight 1.000 ! spec=HCH, no=1796, id=3397, vol=2.850000e+07
assign (resid 41 and name HA) (resid 122 and name HA) 2.694 2.694 1.407 weight 1.000 ! spec=HCH, no=1800, id=3401, vol=2.860000e+07
assign (resid 58 and name HN) (resid 57 and name HA) 2.693 2.693 1.407 weight 1.000 ! spec=HCH, no=1801, id=3402, vol=2.860000e+07
assign (resid 57 and name HB) (resid 57 and name HG12) 2.693 2.693 1.406 weight 1.000 ! spec=HCH, no=1803, id=3404, vol=2.860000e+07
assign (resid 112 and name HB1) (resid 112 and name HA) 2.692 2.692 1.406 weight 1.000 ! spec=HCH, no=1805, id=3406, vol=2.870000e+07
assign (resid 31 and name HG) (resid 31 and name HA) 2.691 2.691 1.405 weight 1.000 ! spec=HCH, no=1806, id=3407, vol=2.880000e+07
assign (resid 115 and name HB2) (resid 26 and name HG21) 2.690 2.690 1.405 weight 1.000 ! spec=HCH, no=1807, id=3408, vol=2.880000e+07
or (resid 115 and name HB2) (resid 26 and name HG22)
or (resid 115 and name HB2) (resid 26 and name HG23)
assign (resid 126 and name HD12) (resid 126 and name HN) 2.690 2.690 1.405 weight 1.000 ! spec=HCH, no=1808, id=3409, vol=2.880000e+07
or (resid 126 and name HD11) (resid 126 and name HN)
or (resid 126 and name HD13) (resid 126 and name HN)
assign (resid 124 and name HB1) (resid 124 and name HD2) 2.690 2.690 1.404 weight 1.000 ! spec=HCH, no=1810, id=3411, vol=2.880000e+07
assign (resid 45 and name HG2) (resid 45 and name HA) 2.689 2.689 1.404 weight 1.000 ! spec=HCH, no=1812, id=3413, vol=2.890000e+07
assign (resid 126 and name HB2) (resid 126 and name HN) 2.688 2.688 1.403 weight 1.000 ! spec=HCH, no=1815, id=3416, vol=2.890000e+07
assign (resid 37 and name HD2) (resid 37 and name HB1) 2.687 2.687 1.402 weight 1.000 ! spec=HCH, no=1819, id=3420, vol=2.900000e+07
assign (resid 124 and name HD1) (resid 39 and name HB2) 2.686 2.686 1.402 weight 1.000 ! spec=HCH, no=1821, id=3422, vol=2.910000e+07
or (resid 124 and name HD1) (resid 39 and name HB1)
or (resid 124 and name HD1) (resid 39 and name HB3)
assign (resid 53 and name HG) (resid 121 and name HD12) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1822, id=3423, vol=2.910000e+07
or (resid 53 and name HG) (resid 121 and name HD11)
or (resid 53 and name HG) (resid 121 and name HD13)
assign (resid 50 and name HG) (resid 50 and name HA) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1824, id=3425, vol=2.910000e+07
assign (resid 73 and name HG1) (resid 73 and name HD2) 2.685 2.685 1.401 weight 1.000 ! spec=HCH, no=1825, id=3426, vol=2.910000e+07
assign (resid 28 and name HB2) (resid 28 and name HA) 2.684 2.684 1.401 weight 1.000 ! spec=HCH, no=1827, id=3428, vol=2.920000e+07
assign (resid 119 and name HB1) (resid 119 and name HB2) 2.684 2.684 1.401 weight 1.000 ! spec=HCH, no=1828, id=3429, vol=2.920000e+07
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1829, id=3430, vol=2.920000e+07
assign (resid 37 and name HB2) (resid 37 and name HA) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1830, id=3431, vol=2.930000e+07
assign (resid 26 and name HG21) (resid 27 and name HN) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1831, id=3432, vol=2.930000e+07
or (resid 26 and name HG22) (resid 27 and name HN)
or (resid 26 and name HG23) (resid 27 and name HN)
assign (resid 73 and name HD1) (resid 73 and name HG2) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1832, id=3433, vol=2.930000e+07
assign (resid 47 and name HG2) (resid 89 and name HG22) 2.683 2.683 1.4 weight 1.000 ! spec=HCH, no=1833, id=3434, vol=2.930000e+07
or (resid 47 and name HG2) (resid 89 and name HG21)
or (resid 47 and name HG2) (resid 89 and name HG23)
or (resid 47 and name HG1) (resid 89 and name HG22)
or (resid 47 and name HG1) (resid 89 and name HG21)
or (resid 47 and name HG1) (resid 89 and name HG23)
assign (resid 11 and name HD12) (resid 11 and name HN) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1835, id=3436, vol=2.930000e+07
or (resid 11 and name HD11) (resid 11 and name HN)
or (resid 11 and name HD13) (resid 11 and name HN)
assign (resid 31 and name HB1) (resid 31 and name HA) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1836, id=3437, vol=2.940000e+07
assign (resid 15 and name HB2) (resid 15 and name HA) 2.682 2.682 1.399 weight 1.000 ! spec=HCH, no=1837, id=3438, vol=2.940000e+07
assign (resid 121 and name HA) (resid 20 and name HA) 2.681 2.681 1.399 weight 1.000 ! spec=HCH, no=1838, id=3439, vol=2.940000e+07
assign (resid 31 and name HB2) (resid 28 and name HA) 2.681 2.681 1.398 weight 1.000 ! spec=HCH, no=1839, id=3440, vol=2.940000e+07
assign (resid 11 and name HD22) (resid 56 and name HA) 2.680 2.680 1.398 weight 1.000 ! spec=HCH, no=1841, id=3442, vol=2.950000e+07
or (resid 11 and name HD21) (resid 56 and name HA)
or (resid 11 and name HD23) (resid 56 and name HA)
assign (resid 17 and name HA) (resid 12 and name HA) 2.677 2.677 1.396 weight 1.000 ! spec=HCH, no=1843, id=3444, vol=2.970000e+07
assign (resid 32 and name HB) (resid 32 and name HA) 2.674 2.674 1.394 weight 1.000 ! spec=HCH, no=1848, id=3449, vol=2.980000e+07
assign (resid 57 and name HB) (resid 57 and name HD12) 2.674 2.674 1.394 weight 1.000 ! spec=HCH, no=1849, id=3450, vol=2.990000e+07
or (resid 57 and name HB) (resid 57 and name HD11)
or (resid 57 and name HB) (resid 57 and name HD13)
assign (resid 109 and name HG22) (resid 68 and name HD12) 2.674 2.674 1.393 weight 1.000 ! spec=HCH, no=1850, id=3451, vol=2.990000e+07
or (resid 109 and name HG22) (resid 68 and name HD11)
or (resid 109 and name HG22) (resid 68 and name HD13)
or (resid 109 and name HG21) (resid 68 and name HD12)
or (resid 109 and name HG21) (resid 68 and name HD11)
or (resid 109 and name HG21) (resid 68 and name HD13)
or (resid 109 and name HG23) (resid 68 and name HD12)
or (resid 109 and name HG23) (resid 68 and name HD11)
or (resid 109 and name HG23) (resid 68 and name HD13)
assign (resid 110 and name HG21) (resid 91 and name HE2) 2.673 2.673 1.393 weight 1.000 ! spec=HCH, no=1852, id=3453, vol=2.990000e+07
or (resid 110 and name HG21) (resid 91 and name HE1)
or (resid 110 and name HG22) (resid 91 and name HE2)
or (resid 110 and name HG22) (resid 91 and name HE1)
or (resid 110 and name HG23) (resid 91 and name HE2)
or (resid 110 and name HG23) (resid 91 and name HE1)
assign (resid 35 and name HB1) (resid 32 and name HA) 2.672 2.672 1.393 weight 1.000 ! spec=HCH, no=1854, id=3455, vol=3.000000e+07
assign (resid 89 and name HB) (resid 89 and name HA) 2.671 2.671 1.392 weight 1.000 ! spec=HCH, no=1856, id=3457, vol=3.010000e+07
assign (resid 109 and name HG12) (resid 92 and name HG22) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1857, id=3458, vol=3.020000e+07
or (resid 109 and name HG12) (resid 92 and name HG21)
or (resid 109 and name HG12) (resid 92 and name HG23)
or (resid 109 and name HG11) (resid 92 and name HG22)
or (resid 109 and name HG11) (resid 92 and name HG21)
or (resid 109 and name HG11) (resid 92 and name HG23)
or (resid 109 and name HG13) (resid 92 and name HG22)
or (resid 109 and name HG13) (resid 92 and name HG21)
or (resid 109 and name HG13) (resid 92 and name HG23)
assign (resid 113 and name HB1) (resid 113 and name HA) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1858, id=3459, vol=3.020000e+07
assign (resid 121 and name HG22) (resid 42 and name HG2) 2.669 2.669 1.391 weight 1.000 ! spec=HCH, no=1859, id=3460, vol=3.020000e+07
or (resid 121 and name HG21) (resid 42 and name HG2)
or (resid 121 and name HG23) (resid 42 and name HG2)
assign (resid 51 and name HB2) (resid 51 and name HD1) 2.669 2.669 1.39 weight 1.000 ! spec=HCH, no=1861, id=3462, vol=3.020000e+07
or (resid 51 and name HB1) (resid 51 and name HD1)
assign (resid 4 and name HD12) (resid 15 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HCH, no=1864, id=3465, vol=3.020000e+07
or (resid 4 and name HD11) (resid 15 and name HA)
or (resid 4 and name HD13) (resid 15 and name HA)
assign (resid 32 and name HB) (resid 29 and name HA) 2.668 2.668 1.389 weight 1.000 ! spec=HCH, no=1868, id=3469, vol=3.030000e+07
assign (resid 54 and name HN) (resid 54 and name HD12) 2.666 2.666 1.388 weight 1.000 ! spec=HCH, no=1874, id=3475, vol=3.040000e+07
or (resid 54 and name HN) (resid 54 and name HD11)
or (resid 54 and name HN) (resid 54 and name HD13)
assign (resid 31 and name HB1) (resid 41 and name HD22) 2.665 2.665 1.388 weight 1.000 ! spec=HCH, no=1875, id=3476, vol=3.050000e+07
or (resid 31 and name HB1) (resid 41 and name HD21)
or (resid 31 and name HB1) (resid 41 and name HD23)
assign (resid 4 and name HB2) (resid 4 and name HA) 2.664 2.664 1.387 weight 1.000 ! spec=HCH, no=1876, id=3477, vol=3.060000e+07
assign (resid 61 and name HB1) (resid 61 and name HA) 2.663 2.663 1.386 weight 1.000 ! spec=HCH, no=1877, id=3478, vol=3.060000e+07
assign (resid 11 and name HD22) (resid 11 and name HA) 2.662 2.662 1.386 weight 1.000 ! spec=HCH, no=1878, id=3479, vol=3.070000e+07
or (resid 11 and name HD21) (resid 11 and name HA)
or (resid 11 and name HD23) (resid 11 and name HA)
assign (resid 31 and name HA) (resid 41 and name HD22) 2.660 2.660 1.384 weight 1.000 ! spec=HCH, no=1880, id=3481, vol=3.080000e+07
or (resid 31 and name HA) (resid 41 and name HD21)
or (resid 31 and name HA) (resid 41 and name HD23)
assign (resid 21 and name HN) (resid 21 and name HA) 2.659 2.659 1.383 weight 1.000 ! spec=HCH, no=1882, id=3483, vol=3.090000e+07
assign (resid 118 and name HB2) (resid 118 and name HA) 2.658 2.658 1.383 weight 1.000 ! spec=HCH, no=1883, id=3484, vol=3.090000e+07
assign (resid 28 and name HB1) (resid 28 and name HN) 2.657 2.657 1.383 weight 1.000 ! spec=HCH, no=1884, id=3485, vol=3.100000e+07
assign (resid 42 and name HN) (resid 41 and name HD12) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1885, id=3486, vol=3.100000e+07
or (resid 42 and name HN) (resid 41 and name HD11)
or (resid 42 and name HN) (resid 41 and name HD13)
assign (resid 105 and name HB1) (resid 105 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1886, id=3487, vol=3.100000e+07
assign (resid 44 and name HG22) (resid 50 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1887, id=3488, vol=3.100000e+07
or (resid 44 and name HG21) (resid 50 and name HA)
or (resid 44 and name HG23) (resid 50 and name HA)
assign (resid 57 and name HB) (resid 57 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1888, id=3489, vol=3.110000e+07
assign (resid 92 and name HB) (resid 92 and name HA) 2.657 2.657 1.382 weight 1.000 ! spec=HCH, no=1889, id=3490, vol=3.110000e+07
assign (resid 27 and name HB2) (resid 27 and name HA) 2.652 2.652 1.379 weight 1.000 ! spec=HCH, no=1893, id=3494, vol=3.140000e+07
assign (resid 57 and name HN) (resid 57 and name HG22) 2.652 2.652 1.379 weight 1.000 ! spec=HCH, no=1894, id=3495, vol=3.140000e+07
or (resid 57 and name HN) (resid 57 and name HG21)
or (resid 57 and name HN) (resid 57 and name HG23)
assign (resid 7 and name HB1) (resid 7 and name HG1) 2.651 2.651 1.378 weight 1.000 ! spec=HCH, no=1900, id=3501, vol=3.150000e+07
assign (resid 23 and name HG12) (resid 23 and name HN) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1901, id=3502, vol=3.150000e+07
or (resid 23 and name HG11) (resid 23 and name HN)
or (resid 23 and name HG13) (resid 23 and name HN)
assign (resid 61 and name HB1) (resid 61 and name HD1) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1902, id=3503, vol=3.150000e+07
or (resid 61 and name HB1) (resid 61 and name HD2)
assign (resid 72 and name HD12) (resid 70 and name HE1) 2.650 2.650 1.378 weight 1.000 ! spec=HCH, no=1903, id=3504, vol=3.150000e+07
or (resid 72 and name HD12) (resid 70 and name HE2)
or (resid 72 and name HD11) (resid 70 and name HE1)
or (resid 72 and name HD11) (resid 70 and name HE2)
or (resid 72 and name HD13) (resid 70 and name HE1)
or (resid 72 and name HD13) (resid 70 and name HE2)
assign (resid 39 and name HB2) (resid 34 and name HA) 2.649 2.649 1.377 weight 1.000 ! spec=HCH, no=1905, id=3506, vol=3.160000e+07
or (resid 39 and name HB1) (resid 34 and name HA)
or (resid 39 and name HB3) (resid 34 and name HA)
assign (resid 86 and name HB2) (resid 86 and name HA) 2.649 2.649 1.377 weight 1.000 ! spec=HCH, no=1906, id=3507, vol=3.160000e+07
assign (resid 68 and name HB2) (resid 68 and name HD12) 2.648 2.648 1.377 weight 1.000 ! spec=HCH, no=1909, id=3510, vol=3.170000e+07
or (resid 68 and name HB2) (resid 68 and name HD11)
or (resid 68 and name HB2) (resid 68 and name HD13)
assign (resid 98 and name HB1) (resid 98 and name HA) 2.648 2.648 1.377 weight 1.000 ! spec=HCH, no=1910, id=3511, vol=3.170000e+07
assign (resid 16 and name HE1) (resid 16 and name HD2) 2.647 2.647 1.376 weight 1.000 ! spec=HCH, no=1916, id=3517, vol=3.170000e+07
assign (resid 123 and name HN) (resid 39 and name HB2) 2.647 2.647 1.376 weight 1.000 ! spec=HCH, no=1917, id=3518, vol=3.170000e+07
or (resid 123 and name HN) (resid 39 and name HB1)
or (resid 123 and name HN) (resid 39 and name HB3)
assign (resid 72 and name HN) (resid 72 and name HD22) 2.646 2.646 1.375 weight 1.000 ! spec=HCH, no=1922, id=3523, vol=3.180000e+07
or (resid 72 and name HN) (resid 72 and name HD21)
or (resid 72 and name HN) (resid 72 and name HD23)
assign (resid 101 and name HB2) (resid 114 and name HA) 2.645 2.645 1.375 weight 1.000 ! spec=HCH, no=1924, id=3525, vol=3.190000e+07
assign (resid 34 and name HB2) (resid 39 and name HB2) 2.644 2.644 1.374 weight 1.000 ! spec=HCH, no=1926, id=3527, vol=3.190000e+07
or (resid 34 and name HB2) (resid 39 and name HB1)
or (resid 34 and name HB2) (resid 39 and name HB3)
assign (resid 65 and name HA) (resid 65 and name HE3) 2.644 2.644 1.374 weight 1.000 ! spec=HCH, no=1928, id=3529, vol=3.200000e+07
assign (resid 89 and name HN) (resid 89 and name HB) 2.643 2.643 1.373 weight 1.000 ! spec=HCH, no=1930, id=3531, vol=3.200000e+07
assign (resid 53 and name HB2) (resid 53 and name HA) 2.643 2.643 1.373 weight 1.000 ! spec=HCH, no=1931, id=3532, vol=3.200000e+07
assign (resid 73 and name HA) (resid 72 and name HD22) 2.642 2.642 1.373 weight 1.000 ! spec=HCH, no=1933, id=3534, vol=3.210000e+07
or (resid 73 and name HA) (resid 72 and name HD21)
or (resid 73 and name HA) (resid 72 and name HD23)
assign (resid 16 and name HG1) (resid 125 and name HA) 2.639 2.639 1.371 weight 1.000 ! spec=HCH, no=1940, id=3541, vol=3.230000e+07
assign (resid 109 and name HB) (resid 109 and name HN) 2.639 2.639 1.371 weight 1.000 ! spec=HCH, no=1941, id=3542, vol=3.230000e+07
assign (resid 28 and name HB1) (resid 28 and name HA) 2.638 2.638 1.37 weight 1.000 ! spec=HCH, no=1942, id=3543, vol=3.240000e+07
assign (resid 110 and name HG21) (resid 91 and name HD2) 2.638 2.638 1.37 weight 1.000 ! spec=HCH, no=1943, id=3544, vol=3.240000e+07
or (resid 110 and name HG21) (resid 91 and name HD1)
or (resid 110 and name HG22) (resid 91 and name HD2)
or (resid 110 and name HG22) (resid 91 and name HD1)
or (resid 110 and name HG23) (resid 91 and name HD2)
or (resid 110 and name HG23) (resid 91 and name HD1)
assign (resid 67 and name HA1) (resid 67 and name HA2) 2.635 2.635 1.368 weight 1.000 ! spec=HCH, no=1946, id=3547, vol=3.260000e+07
assign (resid 109 and name HG22) (resid 92 and name HD12) 2.634 2.634 1.367 weight 1.000 ! spec=HCH, no=1948, id=3549, vol=3.270000e+07
or (resid 109 and name HG22) (resid 92 and name HD11)
or (resid 109 and name HG22) (resid 92 and name HD13)
or (resid 109 and name HG21) (resid 92 and name HD12)
or (resid 109 and name HG21) (resid 92 and name HD11)
or (resid 109 and name HG21) (resid 92 and name HD13)
or (resid 109 and name HG23) (resid 92 and name HD12)
or (resid 109 and name HG23) (resid 92 and name HD11)
or (resid 109 and name HG23) (resid 92 and name HD13)
assign (resid 105 and name HB2) (resid 105 and name HA) 2.634 2.634 1.367 weight 1.000 ! spec=HCH, no=1949, id=3550, vol=3.270000e+07
assign (resid 27 and name HB1) (resid 27 and name HA) 2.632 2.632 1.366 weight 1.000 ! spec=HCH, no=1953, id=3554, vol=3.280000e+07
assign (resid 47 and name HA) (resid 47 and name HG2) 2.631 2.631 1.365 weight 1.000 ! spec=HCH, no=1954, id=3555, vol=3.290000e+07
or (resid 47 and name HA) (resid 47 and name HG1)
assign (resid 66 and name HB) (resid 66 and name HA) 2.630 2.630 1.365 weight 1.000 ! spec=HCH, no=1956, id=3557, vol=3.300000e+07
assign (resid 88 and name HN) (resid 88 and name HA) 2.628 2.628 1.364 weight 1.000 ! spec=HCH, no=1957, id=3558, vol=3.310000e+07
assign (resid 66 and name HD12) (resid 68 and name HD12) 2.628 2.628 1.363 weight 1.000 ! spec=HCH, no=1958, id=3559, vol=3.310000e+07
or (resid 66 and name HD12) (resid 68 and name HD11)
or (resid 66 and name HD12) (resid 68 and name HD13)
or (resid 66 and name HD11) (resid 68 and name HD12)
or (resid 66 and name HD11) (resid 68 and name HD11)
or (resid 66 and name HD11) (resid 68 and name HD13)
or (resid 66 and name HD13) (resid 68 and name HD12)
or (resid 66 and name HD13) (resid 68 and name HD11)
or (resid 66 and name HD13) (resid 68 and name HD13)
assign (resid 49 and name HN) (resid 48 and name HB2) 2.622 2.622 1.359 weight 1.000 ! spec=HCH, no=1963, id=3564, vol=3.360000e+07
or (resid 49 and name HN) (resid 48 and name HB1)
assign (resid 33 and name HB2) (resid 33 and name HA) 2.622 2.622 1.359 weight 1.000 ! spec=HCH, no=1964, id=3565, vol=3.360000e+07
assign (resid 75 and name HA) (resid 72 and name HD22) 2.621 2.621 1.359 weight 1.000 ! spec=HCH, no=1965, id=3566, vol=3.360000e+07
or (resid 75 and name HA) (resid 72 and name HD21)
or (resid 75 and name HA) (resid 72 and name HD23)
assign (resid 74 and name HB1) (resid 74 and name HA) 2.621 2.621 1.359 weight 1.000 ! spec=HCH, no=1966, id=3567, vol=3.370000e+07
assign (resid 48 and name HG2) (resid 48 and name HA) 2.619 2.619 1.357 weight 1.000 ! spec=HCH, no=1968, id=3569, vol=3.380000e+07
assign (resid 47 and name HA) (resid 89 and name HG22) 2.617 2.617 1.356 weight 1.000 ! spec=HCH, no=1972, id=3573, vol=3.400000e+07
or (resid 47 and name HA) (resid 89 and name HG21)
or (resid 47 and name HA) (resid 89 and name HG23)
assign (resid 42 and name HG2) (resid 42 and name HB2) 2.616 2.616 1.356 weight 1.000 ! spec=HCH, no=1974, id=3575, vol=3.400000e+07
assign (resid 60 and name HN) (resid 59 and name HA) 2.616 2.616 1.355 weight 1.000 ! spec=HCH, no=1975, id=3576, vol=3.410000e+07
assign (resid 33 and name HN) (resid 32 and name HG12) 2.616 2.616 1.355 weight 1.000 ! spec=HCH, no=1976, id=3577, vol=3.410000e+07
or (resid 33 and name HN) (resid 32 and name HG11)
or (resid 33 and name HN) (resid 32 and name HG13)
assign (resid 73 and name HB2) (resid 73 and name HG1) 2.615 2.615 1.354 weight 1.000 ! spec=HCH, no=1978, id=3579, vol=3.420000e+07
or (resid 73 and name HB1) (resid 73 and name HG1)
assign (resid 57 and name HG11) (resid 57 and name HD12) 2.613 2.613 1.354 weight 1.000 ! spec=HCH, no=1979, id=3580, vol=3.430000e+07
or (resid 57 and name HG11) (resid 57 and name HD11)
or (resid 57 and name HG11) (resid 57 and name HD13)
assign (resid 60 and name HG2) (resid 60 and name HE2) 2.612 2.612 1.353 weight 1.000 ! spec=HCH, no=1983, id=3584, vol=3.440000e+07
or (resid 60 and name HG2) (resid 60 and name HE1)
or (resid 60 and name HG1) (resid 60 and name HE2)
or (resid 60 and name HG1) (resid 60 and name HE1)
assign (resid 101 and name HA) (resid 69 and name HA) 2.611 2.611 1.352 weight 1.000 ! spec=HCH, no=1985, id=3586, vol=3.450000e+07
assign (resid 127 and name HB1) (resid 127 and name HD1) 2.609 2.609 1.351 weight 1.000 ! spec=HCH, no=1991, id=3592, vol=3.460000e+07
or (resid 127 and name HB1) (resid 127 and name HD2)
assign (resid 59 and name HG1) (resid 59 and name HA) 2.609 2.609 1.351 weight 1.000 ! spec=HCH, no=1993, id=3594, vol=3.460000e+07
assign (resid 121 and name HG11) (resid 121 and name HD12) 2.606 2.606 1.349 weight 1.000 ! spec=HCH, no=1998, id=3599, vol=3.480000e+07
or (resid 121 and name HG11) (resid 121 and name HD11)
or (resid 121 and name HG11) (resid 121 and name HD13)
assign (resid 59 and name HB1) (resid 59 and name HG2) 2.606 2.606 1.349 weight 1.000 ! spec=HCH, no=1999, id=3600, vol=3.490000e+07
assign (resid 81 and name HB1) (resid 43 and name HD22) 2.605 2.605 1.349 weight 1.000 ! spec=HCH, no=2000, id=3601, vol=3.490000e+07
or (resid 81 and name HB1) (resid 43 and name HD21)
or (resid 81 and name HB1) (resid 43 and name HD23)
assign (resid 23 and name HG22) (resid 120 and name HZ2) 2.605 2.605 1.348 weight 1.000 ! spec=HCH, no=2002, id=3603, vol=3.490000e+07
or (resid 23 and name HG21) (resid 120 and name HZ2)
or (resid 23 and name HG23) (resid 120 and name HZ2)
assign (resid 81 and name HN) (resid 43 and name HD12) 2.605 2.605 1.348 weight 1.000 ! spec=HCH, no=2004, id=3605, vol=3.500000e+07
or (resid 81 and name HN) (resid 43 and name HD11)
or (resid 81 and name HN) (resid 43 and name HD13)
assign (resid 127 and name HN) (resid 126 and name HA) 2.604 2.604 1.348 weight 1.000 ! spec=HCH, no=2006, id=3607, vol=3.500000e+07
assign (resid 41 and name HN) (resid 40 and name HA) 2.601 2.601 1.346 weight 1.000 ! spec=HCH, no=2009, id=3610, vol=3.520000e+07
assign (resid 108 and name HG1) (resid 108 and name HB2) 2.601 2.601 1.345 weight 1.000 ! spec=HCH, no=2012, id=3613, vol=3.530000e+07
or (resid 108 and name HG1) (resid 108 and name HB1)
assign (resid 66 and name HD12) (resid 68 and name HB2) 2.598 2.598 1.344 weight 1.000 ! spec=HCH, no=2016, id=3617, vol=3.550000e+07
or (resid 66 and name HD11) (resid 68 and name HB2)
or (resid 66 and name HD13) (resid 68 and name HB2)
assign (resid 97 and name HB1) (resid 97 and name HA) 2.597 2.597 1.343 weight 1.000 ! spec=HCH, no=2019, id=3620, vol=3.560000e+07
assign (resid 105 and name HB2) (resid 110 and name HG21) 2.596 2.596 1.343 weight 1.000 ! spec=HCH, no=2021, id=3622, vol=3.560000e+07
or (resid 105 and name HB2) (resid 110 and name HG22)
or (resid 105 and name HB2) (resid 110 and name HG23)
assign (resid 120 and name HB2) (resid 41 and name HD12) 2.595 2.595 1.342 weight 1.000 ! spec=HCH, no=2023, id=3624, vol=3.570000e+07
or (resid 120 and name HB2) (resid 41 and name HD11)
or (resid 120 and name HB2) (resid 41 and name HD13)
assign (resid 45 and name HN) (resid 44 and name HG22) 2.595 2.595 1.342 weight 1.000 ! spec=HCH, no=2026, id=3627, vol=3.580000e+07
or (resid 45 and name HN) (resid 44 and name HG21)
or (resid 45 and name HN) (resid 44 and name HG23)
assign (resid 59 and name HB2) (resid 59 and name HA) 2.592 2.592 1.34 weight 1.000 ! spec=HCH, no=2033, id=3633, vol=3.600000e+07
assign (resid 69 and name HA) (resid 69 and name HG2) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2035, id=3635, vol=3.610000e+07
or (resid 69 and name HA) (resid 69 and name HG1)
assign (resid 21 and name HB2) (resid 23 and name HG22) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2036, id=3636, vol=3.610000e+07
or (resid 21 and name HB2) (resid 23 and name HG21)
or (resid 21 and name HB2) (resid 23 and name HG23)
assign (resid 123 and name HG2) (resid 42 and name HA) 2.591 2.591 1.339 weight 1.000 ! spec=HCH, no=2037, id=3637, vol=3.610000e+07
assign (resid 25 and name HB2) (resid 25 and name HA) 2.590 2.590 1.339 weight 1.000 ! spec=HCH, no=2040, id=3640, vol=3.620000e+07
assign (resid 53 and name HD22) (resid 52 and name HD1) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2043, id=3643, vol=3.630000e+07
or (resid 53 and name HD22) (resid 52 and name HD2)
or (resid 53 and name HD21) (resid 52 and name HD1)
or (resid 53 and name HD21) (resid 52 and name HD2)
or (resid 53 and name HD23) (resid 52 and name HD1)
or (resid 53 and name HD23) (resid 52 and name HD2)
assign (resid 130 and name HA) (resid 130 and name HG21) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2044, id=3644, vol=3.630000e+07
or (resid 130 and name HA) (resid 130 and name HG22)
or (resid 130 and name HA) (resid 130 and name HG23)
assign (resid 85 and name HD22) (resid 68 and name HD12) 2.589 2.589 1.338 weight 1.000 ! spec=HCH, no=2045, id=3645, vol=3.630000e+07
or (resid 85 and name HD22) (resid 68 and name HD11)
or (resid 85 and name HD22) (resid 68 and name HD13)
or (resid 85 and name HD21) (resid 68 and name HD12)
or (resid 85 and name HD21) (resid 68 and name HD11)
or (resid 85 and name HD21) (resid 68 and name HD13)
or (resid 85 and name HD23) (resid 68 and name HD12)
or (resid 85 and name HD23) (resid 68 and name HD11)
or (resid 85 and name HD23) (resid 68 and name HD13)
assign (resid 28 and name HA) (resid 27 and name HZ3) 2.588 2.588 1.337 weight 1.000 ! spec=HCH, no=2046, id=3646, vol=3.630000e+07
assign (resid 45 and name HB2) (resid 45 and name HA) 2.581 2.581 1.332 weight 1.000 ! spec=HCH, no=2055, id=3655, vol=3.700000e+07
assign (resid 7 and name HD1) (resid 6 and name HA) 2.580 2.580 1.332 weight 1.000 ! spec=HCH, no=2057, id=3657, vol=3.700000e+07
assign (resid 21 and name HB2) (resid 21 and name HA) 2.580 2.580 1.332 weight 1.000 ! spec=HCH, no=2058, id=3658, vol=3.700000e+07
assign (resid 78 and name HE2) (resid 78 and name HG2) 2.579 2.579 1.331 weight 1.000 ! spec=HCH, no=2060, id=3660, vol=3.710000e+07
or (resid 78 and name HE1) (resid 78 and name HG2)
assign (resid 77 and name HB2) (resid 77 and name HB1) 2.578 2.578 1.331 weight 1.000 ! spec=HCH, no=2062, id=3662, vol=3.710000e+07
assign (resid 11 and name HB2) (resid 11 and name HD22) 2.577 2.577 1.33 weight 1.000 ! spec=HCH, no=2064, id=3664, vol=3.730000e+07
or (resid 11 and name HB2) (resid 11 and name HD21)
or (resid 11 and name HB2) (resid 11 and name HD23)
or (resid 11 and name HB1) (resid 11 and name HD22)
or (resid 11 and name HB1) (resid 11 and name HD21)
or (resid 11 and name HB1) (resid 11 and name HD23)
assign (resid 80 and name HG22) (resid 43 and name HD12) 2.574 2.574 1.328 weight 1.000 ! spec=HCH, no=2068, id=3668, vol=3.750000e+07
or (resid 80 and name HG22) (resid 43 and name HD11)
or (resid 80 and name HG22) (resid 43 and name HD13)
or (resid 80 and name HG21) (resid 43 and name HD12)
or (resid 80 and name HG21) (resid 43 and name HD11)
or (resid 80 and name HG21) (resid 43 and name HD13)
or (resid 80 and name HG23) (resid 43 and name HD12)
or (resid 80 and name HG23) (resid 43 and name HD11)
or (resid 80 and name HG23) (resid 43 and name HD13)
assign (resid 9 and name HB2) (resid 9 and name HA) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2075, id=3675, vol=3.810000e+07
assign (resid 69 and name HG2) (resid 69 and name HD2) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2076, id=3676, vol=3.810000e+07
or (resid 69 and name HG1) (resid 69 and name HD2)
assign (resid 116 and name HB2) (resid 116 and name HA) 2.568 2.568 1.324 weight 1.000 ! spec=HCH, no=2077, id=3677, vol=3.810000e+07
assign (resid 97 and name HB1) (resid 97 and name HG2) 2.567 2.567 1.324 weight 1.000 ! spec=HCH, no=2078, id=3678, vol=3.820000e+07
assign (resid 34 and name HB2) (resid 34 and name HA) 2.566 2.566 1.323 weight 1.000 ! spec=HCH, no=2080, id=3680, vol=3.820000e+07
assign (resid 19 and name HB2) (resid 19 and name HB1) 2.563 2.563 1.321 weight 1.000 ! spec=HCH, no=2083, id=3683, vol=3.850000e+07
assign (resid 34 and name HB1) (resid 34 and name HA) 2.562 2.562 1.321 weight 1.000 ! spec=HCH, no=2084, id=3684, vol=3.860000e+07
assign (resid 45 and name HB1) (resid 45 and name HA) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2088, id=3688, vol=3.880000e+07
assign (resid 71 and name HA) (resid 71 and name HB) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2089, id=3689, vol=3.890000e+07
assign (resid 73 and name HD2) (resid 73 and name HG2) 2.559 2.559 1.319 weight 1.000 ! spec=HCH, no=2090, id=3690, vol=3.890000e+07
assign (resid 52 and name HA) (resid 52 and name HD1) 2.558 2.558 1.318 weight 1.000 ! spec=HCH, no=2092, id=3692, vol=3.900000e+07
or (resid 52 and name HA) (resid 52 and name HD2)
assign (resid 54 and name HB1) (resid 54 and name HA) 2.558 2.558 1.318 weight 1.000 ! spec=HCH, no=2094, id=3694, vol=3.900000e+07
assign (resid 97 and name HB2) (resid 97 and name HA) 2.556 2.556 1.317 weight 1.000 ! spec=HCH, no=2095, id=3695, vol=3.910000e+07
assign (resid 47 and name HA) (resid 50 and name HB2) 2.556 2.556 1.317 weight 1.000 ! spec=HCH, no=2096, id=3696, vol=3.920000e+07
assign (resid 125 and name HA) (resid 16 and name HA) 2.556 2.556 1.316 weight 1.000 ! spec=HCH, no=2097, id=3697, vol=3.920000e+07
assign (resid 66 and name HG11) (resid 66 and name HD12) 2.554 2.554 1.315 weight 1.000 ! spec=HCH, no=2101, id=3701, vol=3.930000e+07
or (resid 66 and name HG11) (resid 66 and name HD11)
or (resid 66 and name HG11) (resid 66 and name HD13)
assign (resid 53 and name HB1) (resid 53 and name HA) 2.552 2.552 1.314 weight 1.000 ! spec=HCH, no=2105, id=3705, vol=3.950000e+07
assign (resid 79 and name HB1) (resid 43 and name HD12) 2.551 2.551 1.313 weight 1.000 ! spec=HCH, no=2111, id=3711, vol=3.970000e+07
or (resid 79 and name HB1) (resid 43 and name HD11)
or (resid 79 and name HB1) (resid 43 and name HD13)
assign (resid 90 and name HB1) (resid 90 and name HD22) 2.550 2.550 1.313 weight 1.000 ! spec=HCH, no=2112, id=3712, vol=3.970000e+07
or (resid 90 and name HB1) (resid 90 and name HD21)
or (resid 90 and name HB1) (resid 90 and name HD23)
or (resid 90 and name HB1) (resid 90 and name HD12)
or (resid 90 and name HB1) (resid 90 and name HD11)
or (resid 90 and name HB1) (resid 90 and name HD13)
assign (resid 115 and name HB2) (resid 115 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2121, id=3721, vol=4.000000e+07
assign (resid 115 and name HB1) (resid 115 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2122, id=3722, vol=4.000000e+07
assign (resid 62 and name HB2) (resid 62 and name HA) 2.547 2.547 1.311 weight 1.000 ! spec=HCH, no=2124, id=3724, vol=4.000000e+07
or (resid 62 and name HB1) (resid 62 and name HA)
assign (resid 92 and name HG22) (resid 111 and name HD1) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2126, id=3726, vol=4.010000e+07
or (resid 92 and name HG22) (resid 111 and name HD2)
or (resid 92 and name HG21) (resid 111 and name HD1)
or (resid 92 and name HG21) (resid 111 and name HD2)
or (resid 92 and name HG23) (resid 111 and name HD1)
or (resid 92 and name HG23) (resid 111 and name HD2)
assign (resid 24 and name HA) (resid 24 and name HB2) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2127, id=3727, vol=4.010000e+07
assign (resid 121 and name HN) (resid 41 and name HD12) 2.546 2.546 1.31 weight 1.000 ! spec=HCH, no=2129, id=3729, vol=4.010000e+07
or (resid 121 and name HN) (resid 41 and name HD11)
or (resid 121 and name HN) (resid 41 and name HD13)
assign (resid 68 and name HA) (resid 68 and name HD22) 2.538 2.538 1.305 weight 1.000 ! spec=HCH, no=2137, id=3737, vol=4.080000e+07
or (resid 68 and name HA) (resid 68 and name HD21)
or (resid 68 and name HA) (resid 68 and name HD23)
assign (resid 69 and name HN) (resid 68 and name HD22) 2.538 2.538 1.305 weight 1.000 ! spec=HCH, no=2138, id=3738, vol=4.080000e+07
or (resid 69 and name HN) (resid 68 and name HD21)
or (resid 69 and name HN) (resid 68 and name HD23)
assign (resid 96 and name HG21) (resid 96 and name HA) 2.537 2.537 1.305 weight 1.000 ! spec=HCH, no=2139, id=3739, vol=4.090000e+07
or (resid 96 and name HG22) (resid 96 and name HA)
or (resid 96 and name HG23) (resid 96 and name HA)
assign (resid 68 and name HD12) (resid 85 and name HD12) 2.536 2.536 1.304 weight 1.000 ! spec=HCH, no=2140, id=3740, vol=4.100000e+07
or (resid 68 and name HD12) (resid 85 and name HD11)
or (resid 68 and name HD12) (resid 85 and name HD13)
or (resid 68 and name HD11) (resid 85 and name HD12)
or (resid 68 and name HD11) (resid 85 and name HD11)
or (resid 68 and name HD11) (resid 85 and name HD13)
or (resid 68 and name HD13) (resid 85 and name HD12)
or (resid 68 and name HD13) (resid 85 and name HD11)
or (resid 68 and name HD13) (resid 85 and name HD13)
assign (resid 118 and name HB1) (resid 118 and name HB2) 2.535 2.535 1.303 weight 1.000 ! spec=HCH, no=2143, id=3743, vol=4.120000e+07
assign (resid 57 and name HG22) (resid 104 and name HG22) 2.534 2.534 1.303 weight 1.000 ! spec=HCH, no=2147, id=3747, vol=4.120000e+07
or (resid 57 and name HG22) (resid 104 and name HG21)
or (resid 57 and name HG22) (resid 104 and name HG23)
or (resid 57 and name HG21) (resid 104 and name HG22)
or (resid 57 and name HG21) (resid 104 and name HG21)
or (resid 57 and name HG21) (resid 104 and name HG23)
or (resid 57 and name HG23) (resid 104 and name HG22)
or (resid 57 and name HG23) (resid 104 and name HG21)
or (resid 57 and name HG23) (resid 104 and name HG23)
assign (resid 40 and name HA) (resid 40 and name HB) 2.534 2.534 1.302 weight 1.000 ! spec=HCH, no=2148, id=3748, vol=4.130000e+07
assign (resid 129 and name HG2) (resid 129 and name HA) 2.533 2.533 1.302 weight 1.000 ! spec=HCH, no=2150, id=3750, vol=4.130000e+07
or (resid 129 and name HG1) (resid 129 and name HA)
assign (resid 59 and name HB1) (resid 59 and name HG1) 2.533 2.533 1.302 weight 1.000 ! spec=HCH, no=2151, id=3751, vol=4.140000e+07
assign (resid 24 and name HA) (resid 24 and name HB1) 2.532 2.532 1.302 weight 1.000 ! spec=HCH, no=2152, id=3752, vol=4.140000e+07
assign (resid 11 and name HD22) (resid 18 and name HB1) 2.532 2.532 1.301 weight 1.000 ! spec=HCH, no=2156, id=3756, vol=4.150000e+07
or (resid 11 and name HD21) (resid 18 and name HB1)
or (resid 11 and name HD23) (resid 18 and name HB1)
assign (resid 69 and name HB1) (resid 69 and name HA) 2.532 2.532 1.301 weight 1.000 ! spec=HCH, no=2157, id=3757, vol=4.150000e+07
assign (resid 86 and name HB1) (resid 86 and name HA) 2.531 2.531 1.301 weight 1.000 ! spec=HCH, no=2159, id=3759, vol=4.160000e+07
assign (resid 21 and name HB1) (resid 21 and name HA) 2.530 2.530 1.3 weight 1.000 ! spec=HCH, no=2163, id=3763, vol=4.160000e+07
assign (resid 106 and name HN) (resid 104 and name HG22) 2.530 2.530 1.3 weight 1.000 ! spec=HCH, no=2164, id=3764, vol=4.170000e+07
or (resid 106 and name HN) (resid 104 and name HG21)
or (resid 106 and name HN) (resid 104 and name HG23)
assign (resid 83 and name HB1) (resid 83 and name HA) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2165, id=3765, vol=4.180000e+07
assign (resid 80 and name HB) (resid 80 and name HD12) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2166, id=3766, vol=4.180000e+07
or (resid 80 and name HB) (resid 80 and name HD11)
or (resid 80 and name HB) (resid 80 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HA2) 2.528 2.528 1.299 weight 1.000 ! spec=HCH, no=2169, id=3769, vol=4.180000e+07
assign (resid 16 and name HB1) (resid 16 and name HD1) 2.527 2.527 1.298 weight 1.000 ! spec=HCH, no=2170, id=3770, vol=4.190000e+07
assign (resid 126 and name HB2) (resid 126 and name HD12) 2.527 2.527 1.298 weight 1.000 ! spec=HCH, no=2171, id=3771, vol=4.190000e+07
or (resid 126 and name HB2) (resid 126 and name HD11)
or (resid 126 and name HB2) (resid 126 and name HD13)
assign (resid 113 and name HB2) (resid 113 and name HA) 2.525 2.525 1.297 weight 1.000 ! spec=HCH, no=2175, id=3775, vol=4.220000e+07
assign (resid 121 and name HG22) (resid 18 and name HD1) 2.524 2.524 1.296 weight 1.000 ! spec=HCH, no=2176, id=3776, vol=4.220000e+07
or (resid 121 and name HG22) (resid 18 and name HD2)
or (resid 121 and name HG21) (resid 18 and name HD1)
or (resid 121 and name HG21) (resid 18 and name HD2)
or (resid 121 and name HG23) (resid 18 and name HD1)
or (resid 121 and name HG23) (resid 18 and name HD2)
assign (resid 99 and name HB1) (resid 99 and name HA) 2.520 2.520 1.294 weight 1.000 ! spec=HCH, no=2181, id=3780, vol=4.270000e+07
assign (resid 46 and name HN) (resid 46 and name HA) 2.519 2.519 1.293 weight 1.000 ! spec=HCH, no=2183, id=3782, vol=4.270000e+07
assign (resid 85 and name HB2) (resid 85 and name HD22) 2.519 2.519 1.293 weight 1.000 ! spec=HCH, no=2184, id=3783, vol=4.270000e+07
or (resid 85 and name HB2) (resid 85 and name HD21)
or (resid 85 and name HB2) (resid 85 and name HD23)
assign (resid 72 and name HD22) (resid 70 and name HE1) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2189, id=3788, vol=4.280000e+07
or (resid 72 and name HD22) (resid 70 and name HE2)
or (resid 72 and name HD21) (resid 70 and name HE1)
or (resid 72 and name HD21) (resid 70 and name HE2)
or (resid 72 and name HD23) (resid 70 and name HE1)
or (resid 72 and name HD23) (resid 70 and name HE2)
assign (resid 68 and name HD22) (resid 85 and name HD12) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2190, id=3789, vol=4.280000e+07
or (resid 68 and name HD22) (resid 85 and name HD11)
or (resid 68 and name HD22) (resid 85 and name HD13)
or (resid 68 and name HD21) (resid 85 and name HD12)
or (resid 68 and name HD21) (resid 85 and name HD11)
or (resid 68 and name HD21) (resid 85 and name HD13)
or (resid 68 and name HD23) (resid 85 and name HD12)
or (resid 68 and name HD23) (resid 85 and name HD11)
or (resid 68 and name HD23) (resid 85 and name HD13)
assign (resid 39 and name HB2) (resid 37 and name HB1) 2.518 2.518 1.293 weight 1.000 ! spec=HCH, no=2191, id=3790, vol=4.280000e+07
or (resid 39 and name HB1) (resid 37 and name HB1)
or (resid 39 and name HB3) (resid 37 and name HB1)
assign (resid 89 and name HG22) (resid 90 and name HN) 2.517 2.517 1.292 weight 1.000 ! spec=HCH, no=2192, id=3791, vol=4.290000e+07
or (resid 89 and name HG21) (resid 90 and name HN)
or (resid 89 and name HG23) (resid 90 and name HN)
assign (resid 37 and name HG2) (resid 37 and name HA) 2.517 2.517 1.292 weight 1.000 ! spec=HCH, no=2194, id=3793, vol=4.300000e+07
assign (resid 117 and name HB2) (resid 24 and name HB1) 2.516 2.516 1.291 weight 1.000 ! spec=HCH, no=2196, id=3795, vol=4.310000e+07
or (resid 117 and name HB1) (resid 24 and name HB1)
assign (resid 72 and name HB2) (resid 73 and name HA) 2.515 2.515 1.291 weight 1.000 ! spec=HCH, no=2198, id=3797, vol=4.320000e+07
assign (resid 42 and name HB2) (resid 66 and name HG22) 2.514 2.514 1.29 weight 1.000 ! spec=HCH, no=2200, id=3799, vol=4.330000e+07
or (resid 42 and name HB2) (resid 66 and name HG21)
or (resid 42 and name HB2) (resid 66 and name HG23)
assign (resid 48 and name HG1) (resid 48 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HCH, no=2203, id=3802, vol=4.340000e+07
assign (resid 11 and name HD22) (resid 18 and name HD1) 2.513 2.513 1.289 weight 1.000 ! spec=HCH, no=2205, id=3804, vol=4.340000e+07
or (resid 11 and name HD22) (resid 18 and name HD2)
or (resid 11 and name HD21) (resid 18 and name HD1)
or (resid 11 and name HD21) (resid 18 and name HD2)
or (resid 11 and name HD23) (resid 18 and name HD1)
or (resid 11 and name HD23) (resid 18 and name HD2)
assign (resid 119 and name HG1) (resid 119 and name HG2) 2.512 2.512 1.289 weight 1.000 ! spec=HCH, no=2207, id=3806, vol=4.340000e+07
assign (resid 37 and name HA) (resid 37 and name HD2) 2.510 2.510 1.288 weight 1.000 ! spec=HCH, no=2210, id=3809, vol=4.360000e+07
assign (resid 13 and name HB1) (resid 13 and name HA) 2.510 2.510 1.287 weight 1.000 ! spec=HCH, no=2212, id=3810, vol=4.370000e+07
assign (resid 53 and name HD22) (resid 18 and name HD1) 2.509 2.509 1.287 weight 1.000 ! spec=HCH, no=2213, id=3811, vol=4.370000e+07
or (resid 53 and name HD22) (resid 18 and name HD2)
or (resid 53 and name HD21) (resid 18 and name HD1)
or (resid 53 and name HD21) (resid 18 and name HD2)
or (resid 53 and name HD23) (resid 18 and name HD1)
or (resid 53 and name HD23) (resid 18 and name HD2)
assign (resid 5 and name HB1) (resid 5 and name HA) 2.508 2.508 1.286 weight 1.000 ! spec=HCH, no=2216, id=3814, vol=4.390000e+07
assign (resid 117 and name HB2) (resid 117 and name HA) 2.508 2.508 1.286 weight 1.000 ! spec=HCH, no=2217, id=3815, vol=4.390000e+07
or (resid 117 and name HB1) (resid 117 and name HA)
assign (resid 87 and name HB1) (resid 87 and name HA) 2.505 2.505 1.285 weight 1.000 ! spec=HCH, no=2224, id=3822, vol=4.410000e+07
assign (resid 52 and name HB2) (resid 52 and name HA) 2.505 2.505 1.284 weight 1.000 ! spec=HCH, no=2226, id=3824, vol=4.420000e+07
assign (resid 51 and name HB2) (resid 48 and name HA) 2.503 2.503 1.283 weight 1.000 ! spec=HCH, no=2228, id=3826, vol=4.440000e+07
or (resid 51 and name HB1) (resid 48 and name HA)
assign (resid 31 and name HB1) (resid 31 and name HB2) 2.501 2.501 1.282 weight 1.000 ! spec=HCH, no=2231, id=3829, vol=4.460000e+07
assign (resid 104 and name HD12) (resid 53 and name HB2) 2.499 2.499 1.281 weight 1.000 ! spec=HCH, no=2236, id=3834, vol=4.480000e+07
or (resid 104 and name HD11) (resid 53 and name HB2)
or (resid 104 and name HD13) (resid 53 and name HB2)
assign (resid 20 and name HG22) (resid 57 and name HD12) 2.498 2.498 1.28 weight 1.000 ! spec=HCH, no=2239, id=3837, vol=4.490000e+07
or (resid 20 and name HG22) (resid 57 and name HD11)
or (resid 20 and name HG22) (resid 57 and name HD13)
or (resid 20 and name HG21) (resid 57 and name HD12)
or (resid 20 and name HG21) (resid 57 and name HD11)
or (resid 20 and name HG21) (resid 57 and name HD13)
or (resid 20 and name HG23) (resid 57 and name HD12)
or (resid 20 and name HG23) (resid 57 and name HD11)
or (resid 20 and name HG23) (resid 57 and name HD13)
assign (resid 41 and name HB2) (resid 41 and name HD22) 2.496 2.496 1.279 weight 1.000 ! spec=HCH, no=2243, id=3841, vol=4.520000e+07
or (resid 41 and name HB2) (resid 41 and name HD21)
or (resid 41 and name HB2) (resid 41 and name HD23)
assign (resid 54 and name HB2) (resid 54 and name HA) 2.496 2.496 1.279 weight 1.000 ! spec=HCH, no=2244, id=3842, vol=4.520000e+07
assign (resid 65 and name HA) (resid 103 and name HB2) 2.495 2.495 1.278 weight 1.000 ! spec=HCH, no=2245, id=3843, vol=4.520000e+07
or (resid 65 and name HA) (resid 103 and name HB1)
or (resid 65 and name HA) (resid 103 and name HB3)
assign (resid 95 and name HB1) (resid 95 and name HA) 2.495 2.495 1.278 weight 1.000 ! spec=HCH, no=2246, id=3844, vol=4.520000e+07
assign (resid 40 and name HN) (resid 39 and name HA) 2.493 2.493 1.277 weight 1.000 ! spec=HCH, no=2251, id=3849, vol=4.550000e+07
assign (resid 23 and name HG22) (resid 23 and name HA) 2.492 2.492 1.276 weight 1.000 ! spec=HCH, no=2257, id=3854, vol=4.560000e+07
or (resid 23 and name HG21) (resid 23 and name HA)
or (resid 23 and name HG23) (resid 23 and name HA)
assign (resid 60 and name HG2) (resid 60 and name HA) 2.491 2.491 1.276 weight 1.000 ! spec=HCH, no=2259, id=3856, vol=4.570000e+07
or (resid 60 and name HG1) (resid 60 and name HA)
assign (resid 41 and name HD12) (resid 120 and name HD1) 2.488 2.488 1.274 weight 1.000 ! spec=HCH, no=2263, id=3860, vol=4.600000e+07
or (resid 41 and name HD11) (resid 120 and name HD1)
or (resid 41 and name HD13) (resid 120 and name HD1)
assign (resid 84 and name HB) (resid 84 and name HA) 2.488 2.488 1.274 weight 1.000 ! spec=HCH, no=2264, id=3861, vol=4.610000e+07
assign (resid 22 and name HG2) (resid 22 and name HB1) 2.487 2.487 1.273 weight 1.000 ! spec=HCH, no=2265, id=3862, vol=4.610000e+07
assign (resid 42 and name HB1) (resid 66 and name HG22) 2.486 2.486 1.273 weight 1.000 ! spec=HCH, no=2268, id=3865, vol=4.630000e+07
or (resid 42 and name HB1) (resid 66 and name HG21)
or (resid 42 and name HB1) (resid 66 and name HG23)
assign (resid 101 and name HB2) (resid 101 and name HB1) 2.485 2.485 1.272 weight 1.000 ! spec=HCH, no=2271, id=3868, vol=4.640000e+07
assign (resid 90 and name HB2) (resid 90 and name HD22) 2.485 2.485 1.272 weight 1.000 ! spec=HCH, no=2272, id=3869, vol=4.640000e+07
or (resid 90 and name HB2) (resid 90 and name HD21)
or (resid 90 and name HB2) (resid 90 and name HD23)
or (resid 90 and name HB2) (resid 90 and name HD12)
or (resid 90 and name HB2) (resid 90 and name HD11)
or (resid 90 and name HB2) (resid 90 and name HD13)
assign (resid 57 and name HA) (resid 57 and name HD12) 2.481 2.481 1.269 weight 1.000 ! spec=HCH, no=2278, id=3874, vol=4.680000e+07
or (resid 57 and name HA) (resid 57 and name HD11)
or (resid 57 and name HA) (resid 57 and name HD13)
assign (resid 98 and name HB2) (resid 98 and name HA) 2.480 2.480 1.269 weight 1.000 ! spec=HCH, no=2279, id=3875, vol=4.690000e+07
assign (resid 60 and name HB2) (resid 60 and name HG2) 2.478 2.478 1.268 weight 1.000 ! spec=HCH, no=2285, id=3881, vol=4.710000e+07
or (resid 60 and name HB2) (resid 60 and name HG1)
assign (resid 95 and name HB2) (resid 95 and name HA) 2.478 2.478 1.268 weight 1.000 ! spec=HCH, no=2286, id=3882, vol=4.710000e+07
assign (resid 121 and name HD12) (resid 57 and name HD12) 2.478 2.478 1.267 weight 1.000 ! spec=HCH, no=2290, id=3886, vol=4.720000e+07
or (resid 121 and name HD12) (resid 57 and name HD11)
or (resid 121 and name HD12) (resid 57 and name HD13)
or (resid 121 and name HD11) (resid 57 and name HD12)
or (resid 121 and name HD11) (resid 57 and name HD11)
or (resid 121 and name HD11) (resid 57 and name HD13)
or (resid 121 and name HD13) (resid 57 and name HD12)
or (resid 121 and name HD13) (resid 57 and name HD11)
or (resid 121 and name HD13) (resid 57 and name HD13)
assign (resid 116 and name HB1) (resid 116 and name HA) 2.475 2.475 1.266 weight 1.000 ! spec=HCH, no=2294, id=3890, vol=4.740000e+07
assign (resid 28 and name HB2) (resid 28 and name HG1) 2.475 2.475 1.266 weight 1.000 ! spec=HCH, no=2295, id=3891, vol=4.750000e+07
assign (resid 66 and name HB) (resid 66 and name HD12) 2.475 2.475 1.265 weight 1.000 ! spec=HCH, no=2296, id=3892, vol=4.760000e+07
or (resid 66 and name HB) (resid 66 and name HD11)
or (resid 66 and name HB) (resid 66 and name HD13)
assign (resid 35 and name HB2) (resid 35 and name HA) 2.474 2.474 1.265 weight 1.000 ! spec=HCH, no=2299, id=3895, vol=4.760000e+07
assign (resid 52 and name HB1) (resid 52 and name HA) 2.473 2.473 1.265 weight 1.000 ! spec=HCH, no=2300, id=3896, vol=4.770000e+07
assign (resid 16 and name HB2) (resid 16 and name HG2) 2.473 2.473 1.264 weight 1.000 ! spec=HCH, no=2301, id=3897, vol=4.770000e+07
assign (resid 50 and name HB2) (resid 50 and name HB1) 2.473 2.473 1.264 weight 1.000 ! spec=HCH, no=2302, id=3898, vol=4.780000e+07
assign (resid 125 and name HG2) (resid 125 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2303, id=3899, vol=4.780000e+07
assign (resid 81 and name HB2) (resid 81 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2304, id=3900, vol=4.780000e+07
assign (resid 72 and name HB1) (resid 73 and name HA) 2.472 2.472 1.264 weight 1.000 ! spec=HCH, no=2305, id=3901, vol=4.790000e+07
assign (resid 13 and name HB1) (resid 13 and name HB2) 2.471 2.471 1.263 weight 1.000 ! spec=HCH, no=2306, id=3902, vol=4.790000e+07
assign (resid 60 and name HB1) (resid 60 and name HG2) 2.470 2.470 1.263 weight 1.000 ! spec=HCH, no=2307, id=3903, vol=4.810000e+07
or (resid 60 and name HB1) (resid 60 and name HG1)
assign (resid 85 and name HB1) (resid 85 and name HD22) 2.469 2.469 1.262 weight 1.000 ! spec=HCH, no=2308, id=3904, vol=4.820000e+07
or (resid 85 and name HB1) (resid 85 and name HD21)
or (resid 85 and name HB1) (resid 85 and name HD23)
assign (resid 53 and name HB1) (resid 53 and name HG) 2.467 2.467 1.261 weight 1.000 ! spec=HCH, no=2310, id=3906, vol=4.840000e+07
assign (resid 40 and name HG21) (resid 80 and name HG11) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2313, id=3909, vol=4.880000e+07
or (resid 40 and name HG22) (resid 80 and name HG11)
or (resid 40 and name HG23) (resid 80 and name HG11)
assign (resid 121 and name HG22) (resid 121 and name HG12) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2314, id=3910, vol=4.880000e+07
or (resid 121 and name HG21) (resid 121 and name HG12)
or (resid 121 and name HG23) (resid 121 and name HG12)
assign (resid 5 and name HG2) (resid 5 and name HA) 2.464 2.464 1.259 weight 1.000 ! spec=HCH, no=2317, id=3913, vol=4.880000e+07
or (resid 5 and name HG1) (resid 5 and name HA)
assign (resid 43 and name HB1) (resid 43 and name HG) 2.463 2.463 1.258 weight 1.000 ! spec=HCH, no=2319, id=3915, vol=4.890000e+07
assign (resid 97 and name HN) (resid 96 and name HA) 2.463 2.463 1.258 weight 1.000 ! spec=HCH, no=2320, id=3916, vol=4.890000e+07
assign (resid 75 and name HG2) (resid 72 and name HD22) 2.462 2.462 1.257 weight 1.000 ! spec=HCH, no=2323, id=3919, vol=4.910000e+07
or (resid 75 and name HG2) (resid 72 and name HD21)
or (resid 75 and name HG2) (resid 72 and name HD23)
assign (resid 40 and name HN) (resid 40 and name HG21) 2.461 2.461 1.257 weight 1.000 ! spec=HCH, no=2324, id=3920, vol=4.910000e+07
or (resid 40 and name HN) (resid 40 and name HG22)
or (resid 40 and name HN) (resid 40 and name HG23)
assign (resid 129 and name HB2) (resid 129 and name HA) 2.460 2.460 1.256 weight 1.000 ! spec=HCH, no=2328, id=3924, vol=4.930000e+07
assign (resid 78 and name HG2) (resid 84 and name HA) 2.459 2.459 1.256 weight 1.000 ! spec=HCH, no=2331, id=3927, vol=4.940000e+07
assign (resid 126 and name HD12) (resid 126 and name HA) 2.458 2.458 1.255 weight 1.000 ! spec=HCH, no=2332, id=3928, vol=4.950000e+07
or (resid 126 and name HD11) (resid 126 and name HA)
or (resid 126 and name HD13) (resid 126 and name HA)
assign (resid 108 and name HG2) (resid 108 and name HB2) 2.456 2.456 1.254 weight 1.000 ! spec=HCH, no=2338, id=3934, vol=4.970000e+07
or (resid 108 and name HG2) (resid 108 and name HB1)
assign (resid 123 and name HE22) (resid 43 and name HD22) 2.456 2.456 1.254 weight 1.000 ! spec=HCH, no=2339, id=3935, vol=4.980000e+07
or (resid 123 and name HE22) (resid 43 and name HD21)
or (resid 123 and name HE22) (resid 43 and name HD23)
assign (resid 124 and name HG2) (resid 124 and name HA) 2.454 2.454 1.253 weight 1.000 ! spec=HCH, no=2341, id=3937, vol=5.000000e+07
assign (resid 49 and name HB2) (resid 49 and name HA) 2.450 2.450 1.25 weight 1.000 ! spec=HCH, no=2347, id=3943, vol=5.050000e+07
assign (resid 112 and name HB2) (resid 112 and name HA) 2.450 2.450 1.25 weight 1.000 ! spec=HCH, no=2350, id=3946, vol=5.050000e+07
assign (resid 89 and name HA) (resid 89 and name HG22) 2.448 2.448 1.249 weight 1.000 ! spec=HCH, no=2352, id=3948, vol=5.070000e+07
or (resid 89 and name HA) (resid 89 and name HG21)
or (resid 89 and name HA) (resid 89 and name HG23)
assign (resid 42 and name HB1) (resid 121 and name HG22) 2.446 2.446 1.248 weight 1.000 ! spec=HCH, no=2355, id=3951, vol=5.100000e+07
or (resid 42 and name HB1) (resid 121 and name HG21)
or (resid 42 and name HB1) (resid 121 and name HG23)
assign (resid 57 and name HG22) (resid 60 and name HG2) 2.446 2.446 1.248 weight 1.000 ! spec=HCH, no=2357, id=3953, vol=5.100000e+07
or (resid 57 and name HG22) (resid 60 and name HG1)
or (resid 57 and name HG21) (resid 60 and name HG2)
or (resid 57 and name HG21) (resid 60 and name HG1)
or (resid 57 and name HG23) (resid 60 and name HG2)
or (resid 57 and name HG23) (resid 60 and name HG1)
assign (resid 51 and name HA) (resid 54 and name HD12) 2.445 2.445 1.247 weight 1.000 ! spec=HCH, no=2359, id=3955, vol=5.110000e+07
or (resid 51 and name HA) (resid 54 and name HD11)
or (resid 51 and name HA) (resid 54 and name HD13)
assign (resid 72 and name HD12) (resid 75 and name HG1) 2.443 2.443 1.246 weight 1.000 ! spec=HCH, no=2362, id=3958, vol=5.140000e+07
or (resid 72 and name HD11) (resid 75 and name HG1)
or (resid 72 and name HD13) (resid 75 and name HG1)
assign (resid 66 and name HG11) (resid 66 and name HG12) 2.442 2.442 1.245 weight 1.000 ! spec=HCH, no=2364, id=3960, vol=5.150000e+07
assign (resid 87 and name HB2) (resid 87 and name HA) 2.441 2.441 1.245 weight 1.000 ! spec=HCH, no=2365, id=3961, vol=5.160000e+07
assign (resid 93 and name HB) (resid 93 and name HA) 2.440 2.440 1.244 weight 1.000 ! spec=HCH, no=2367, id=3963, vol=5.170000e+07
assign (resid 57 and name HG22) (resid 64 and name HZ) 2.439 2.439 1.244 weight 1.000 ! spec=HCH, no=2370, id=3966, vol=5.190000e+07
or (resid 57 and name HG21) (resid 64 and name HZ)
or (resid 57 and name HG23) (resid 64 and name HZ)
assign (resid 33 and name HB1) (resid 33 and name HA) 2.439 2.439 1.243 weight 1.000 ! spec=HCH, no=2371, id=3967, vol=5.190000e+07
assign (resid 135 and name HB) (resid 135 and name HG12) 2.438 2.438 1.243 weight 1.000 ! spec=HCH, no=2372, id=3968, vol=5.190000e+07
or (resid 135 and name HB) (resid 135 and name HG11)
or (resid 135 and name HB) (resid 135 and name HG13)
assign (resid 20 and name HN) (resid 20 and name HG22) 2.438 2.438 1.243 weight 1.000 ! spec=HCH, no=2373, id=3969, vol=5.200000e+07
or (resid 20 and name HN) (resid 20 and name HG21)
or (resid 20 and name HN) (resid 20 and name HG23)
assign (resid 53 and name HB2) (resid 53 and name HD22) 2.437 2.437 1.243 weight 1.000 ! spec=HCH, no=2375, id=3971, vol=5.210000e+07
or (resid 53 and name HB2) (resid 53 and name HD21)
or (resid 53 and name HB2) (resid 53 and name HD23)
assign (resid 53 and name HA) (resid 53 and name HD12) 2.436 2.436 1.242 weight 1.000 ! spec=HCH, no=2376, id=3972, vol=5.220000e+07
or (resid 53 and name HA) (resid 53 and name HD11)
or (resid 53 and name HA) (resid 53 and name HD13)
assign (resid 41 and name HD12) (resid 41 and name HB2) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2379, id=3975, vol=5.260000e+07
or (resid 41 and name HD11) (resid 41 and name HB2)
or (resid 41 and name HD13) (resid 41 and name HB2)
assign (resid 104 and name HG22) (resid 57 and name HD12) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2380, id=3976, vol=5.260000e+07
or (resid 104 and name HG22) (resid 57 and name HD11)
or (resid 104 and name HG22) (resid 57 and name HD13)
or (resid 104 and name HG21) (resid 57 and name HD12)
or (resid 104 and name HG21) (resid 57 and name HD11)
or (resid 104 and name HG21) (resid 57 and name HD13)
or (resid 104 and name HG23) (resid 57 and name HD12)
or (resid 104 and name HG23) (resid 57 and name HD11)
or (resid 104 and name HG23) (resid 57 and name HD13)
assign (resid 85 and name HB1) (resid 85 and name HB2) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2381, id=3977, vol=5.270000e+07
assign (resid 127 and name HB2) (resid 127 and name HD1) 2.433 2.433 1.24 weight 1.000 ! spec=HCH, no=2382, id=3978, vol=5.270000e+07
or (resid 127 and name HB2) (resid 127 and name HD2)
assign (resid 14 and name HG1) (resid 14 and name HD2) 2.432 2.432 1.239 weight 1.000 ! spec=HCH, no=2383, id=3979, vol=5.280000e+07
or (resid 14 and name HG1) (resid 14 and name HD1)
assign (resid 37 and name HB1) (resid 37 and name HB2) 2.431 2.431 1.239 weight 1.000 ! spec=HCH, no=2384, id=3980, vol=5.290000e+07
assign (resid 29 and name HB2) (resid 29 and name HG1) 2.431 2.431 1.238 weight 1.000 ! spec=HCH, no=2385, id=3981, vol=5.300000e+07
or (resid 29 and name HB1) (resid 29 and name HG1)
assign (resid 20 and name HG12) (resid 64 and name HE1) 2.429 2.429 1.237 weight 1.000 ! spec=HCH, no=2387, id=3983, vol=5.320000e+07
or (resid 20 and name HG12) (resid 64 and name HE2)
or (resid 20 and name HG11) (resid 64 and name HE1)
or (resid 20 and name HG11) (resid 64 and name HE2)
or (resid 20 and name HG13) (resid 64 and name HE1)
or (resid 20 and name HG13) (resid 64 and name HE2)
assign (resid 14 and name HG2) (resid 14 and name HD2) 2.429 2.429 1.237 weight 1.000 ! spec=HCH, no=2388, id=3984, vol=5.320000e+07
or (resid 14 and name HG2) (resid 14 and name HD1)
assign (resid 107 and name HA) (resid 54 and name HD22) 2.428 2.428 1.237 weight 1.000 ! spec=HCH, no=2389, id=3985, vol=5.320000e+07
or (resid 107 and name HA) (resid 54 and name HD21)
or (resid 107 and name HA) (resid 54 and name HD23)
assign (resid 79 and name HB2) (resid 43 and name HD12) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2394, id=3990, vol=5.350000e+07
or (resid 79 and name HB2) (resid 43 and name HD11)
or (resid 79 and name HB2) (resid 43 and name HD13)
assign (resid 43 and name HD12) (resid 43 and name HA) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2395, id=3991, vol=5.350000e+07
or (resid 43 and name HD11) (resid 43 and name HA)
or (resid 43 and name HD13) (resid 43 and name HA)
assign (resid 14 and name HB2) (resid 14 and name HA) 2.426 2.426 1.236 weight 1.000 ! spec=HCH, no=2396, id=3992, vol=5.360000e+07
or (resid 14 and name HB1) (resid 14 and name HA)
assign (resid 109 and name HG12) (resid 104 and name HG12) 2.426 2.426 1.235 weight 1.000 ! spec=HCH, no=2397, id=3993, vol=5.360000e+07
or (resid 109 and name HG11) (resid 104 and name HG12)
or (resid 109 and name HG13) (resid 104 and name HG12)
assign (resid 8 and name HG2) (resid 8 and name HA) 2.425 2.425 1.235 weight 1.000 ! spec=HCH, no=2398, id=3994, vol=5.360000e+07
or (resid 8 and name HG1) (resid 8 and name HA)
assign (resid 40 and name HB) (resid 80 and name HD12) 2.425 2.425 1.235 weight 1.000 ! spec=HCH, no=2399, id=3995, vol=5.370000e+07
or (resid 40 and name HB) (resid 80 and name HD11)
or (resid 40 and name HB) (resid 80 and name HD13)
assign (resid 96 and name HB) (resid 96 and name HA) 2.424 2.424 1.234 weight 1.000 ! spec=HCH, no=2403, id=3999, vol=5.390000e+07
assign (resid 108 and name HE2) (resid 107 and name HB2) 2.423 2.423 1.234 weight 1.000 ! spec=HCH, no=2406, id=4002, vol=5.400000e+07
or (resid 108 and name HE1) (resid 107 and name HB2)
assign (resid 14 and name HB2) (resid 14 and name HD2) 2.422 2.422 1.233 weight 1.000 ! spec=HCH, no=2407, id=4003, vol=5.410000e+07
or (resid 14 and name HB2) (resid 14 and name HD1)
or (resid 14 and name HB1) (resid 14 and name HD2)
or (resid 14 and name HB1) (resid 14 and name HD1)
assign (resid 107 and name HB2) (resid 107 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HCH, no=2409, id=4005, vol=5.430000e+07
assign (resid 110 and name HB) (resid 110 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HCH, no=2410, id=4006, vol=5.430000e+07
assign (resid 54 and name HB1) (resid 54 and name HD12) 2.419 2.419 1.231 weight 1.000 ! spec=HCH, no=2412, id=4008, vol=5.450000e+07
or (resid 54 and name HB1) (resid 54 and name HD11)
or (resid 54 and name HB1) (resid 54 and name HD13)
assign (resid 16 and name HB1) (resid 16 and name HB2) 2.418 2.418 1.231 weight 1.000 ! spec=HCH, no=2413, id=4009, vol=5.470000e+07
assign (resid 43 and name HA) (resid 43 and name HB1) 2.417 2.417 1.23 weight 1.000 ! spec=HCH, no=2415, id=4011, vol=5.480000e+07
assign (resid 90 and name HA) (resid 90 and name HG) 2.416 2.416 1.23 weight 1.000 ! spec=HCH, no=2417, id=4013, vol=5.490000e+07
assign (resid 57 and name HA) (resid 57 and name HG22) 2.416 2.416 1.229 weight 1.000 ! spec=HCH, no=2418, id=4014, vol=5.490000e+07
or (resid 57 and name HA) (resid 57 and name HG21)
or (resid 57 and name HA) (resid 57 and name HG23)
assign (resid 74 and name HB2) (resid 74 and name HA) 2.415 2.415 1.229 weight 1.000 ! spec=HCH, no=2419, id=4015, vol=5.510000e+07
assign (resid 21 and name HB2) (resid 21 and name HB1) 2.414 2.414 1.229 weight 1.000 ! spec=HCH, no=2421, id=4017, vol=5.510000e+07
assign (resid 135 and name HG22) (resid 135 and name HB) 2.414 2.414 1.228 weight 1.000 ! spec=HCH, no=2424, id=4020, vol=5.520000e+07
or (resid 135 and name HG21) (resid 135 and name HB)
or (resid 135 and name HG23) (resid 135 and name HB)
assign (resid 9 and name HN) (resid 9 and name HA) 2.413 2.413 1.228 weight 1.000 ! spec=HCH, no=2426, id=4022, vol=5.530000e+07
assign (resid 109 and name HG12) (resid 102 and name HB2) 2.412 2.412 1.227 weight 1.000 ! spec=HCH, no=2428, id=4024, vol=5.550000e+07
or (resid 109 and name HG12) (resid 102 and name HB1)
or (resid 109 and name HG12) (resid 102 and name HB3)
or (resid 109 and name HG11) (resid 102 and name HB2)
or (resid 109 and name HG11) (resid 102 and name HB1)
or (resid 109 and name HG11) (resid 102 and name HB3)
or (resid 109 and name HG13) (resid 102 and name HB2)
or (resid 109 and name HG13) (resid 102 and name HB1)
or (resid 109 and name HG13) (resid 102 and name HB3)
assign (resid 85 and name HD12) (resid 79 and name HZ2) 2.411 2.411 1.227 weight 1.000 ! spec=HCH, no=2429, id=4025, vol=5.550000e+07
or (resid 85 and name HD11) (resid 79 and name HZ2)
or (resid 85 and name HD13) (resid 79 and name HZ2)
assign (resid 66 and name HG22) (resid 121 and name HD12) 2.411 2.411 1.227 weight 1.000 ! spec=HCH, no=2430, id=4026, vol=5.560000e+07
or (resid 66 and name HG22) (resid 121 and name HD11)
or (resid 66 and name HG22) (resid 121 and name HD13)
or (resid 66 and name HG21) (resid 121 and name HD12)
or (resid 66 and name HG21) (resid 121 and name HD11)
or (resid 66 and name HG21) (resid 121 and name HD13)
or (resid 66 and name HG23) (resid 121 and name HD12)
or (resid 66 and name HG23) (resid 121 and name HD11)
or (resid 66 and name HG23) (resid 121 and name HD13)
assign (resid 42 and name HE2) (resid 53 and name HD22) 2.409 2.409 1.225 weight 1.000 ! spec=HCH, no=2433, id=4029, vol=5.590000e+07
or (resid 42 and name HE2) (resid 53 and name HD21)
or (resid 42 and name HE2) (resid 53 and name HD23)
or (resid 42 and name HE1) (resid 53 and name HD22)
or (resid 42 and name HE1) (resid 53 and name HD21)
or (resid 42 and name HE1) (resid 53 and name HD23)
or (resid 42 and name HE3) (resid 53 and name HD22)
or (resid 42 and name HE3) (resid 53 and name HD21)
or (resid 42 and name HE3) (resid 53 and name HD23)
assign (resid 81 and name HB2) (resid 81 and name HB1) 2.408 2.408 1.225 weight 1.000 ! spec=HCH, no=2435, id=4031, vol=5.600000e+07
assign (resid 120 and name HB1) (resid 41 and name HD12) 2.407 2.407 1.224 weight 1.000 ! spec=HCH, no=2436, id=4032, vol=5.610000e+07
or (resid 120 and name HB1) (resid 41 and name HD11)
or (resid 120 and name HB1) (resid 41 and name HD13)
assign (resid 81 and name HB1) (resid 81 and name HA) 2.407 2.407 1.224 weight 1.000 ! spec=HCH, no=2438, id=4034, vol=5.620000e+07
assign (resid 31 and name HD22) (resid 31 and name HA) 2.405 2.405 1.223 weight 1.000 ! spec=HCH, no=2440, id=4036, vol=5.640000e+07
or (resid 31 and name HD21) (resid 31 and name HA)
or (resid 31 and name HD23) (resid 31 and name HA)
assign (resid 5 and name HB2) (resid 5 and name HA) 2.404 2.404 1.222 weight 1.000 ! spec=HCH, no=2442, id=4038, vol=5.660000e+07
assign (resid 85 and name HB2) (resid 85 and name HD12) 2.402 2.402 1.221 weight 1.000 ! spec=HCH, no=2445, id=4041, vol=5.690000e+07
or (resid 85 and name HB2) (resid 85 and name HD11)
or (resid 85 and name HB2) (resid 85 and name HD13)
assign (resid 37 and name HD1) (resid 37 and name HE2) 2.400 2.400 1.22 weight 1.000 ! spec=HCH, no=2449, id=4045, vol=5.710000e+07
or (resid 37 and name HD1) (resid 37 and name HE1)
assign (resid 121 and name HA) (resid 121 and name HG22) 2.400 2.400 1.22 weight 1.000 ! spec=HCH, no=2451, id=4047, vol=5.720000e+07
or (resid 121 and name HA) (resid 121 and name HG21)
or (resid 121 and name HA) (resid 121 and name HG23)
assign (resid 80 and name HN) (resid 80 and name HG22) 2.398 2.398 1.219 weight 1.000 ! spec=HCH, no=2453, id=4049, vol=5.740000e+07
or (resid 80 and name HN) (resid 80 and name HG21)
or (resid 80 and name HN) (resid 80 and name HG23)
assign (resid 110 and name HN) (resid 110 and name HG21) 2.398 2.398 1.219 weight 1.000 ! spec=HCH, no=2454, id=4050, vol=5.740000e+07
or (resid 110 and name HN) (resid 110 and name HG22)
or (resid 110 and name HN) (resid 110 and name HG23)
assign (resid 92 and name HA) (resid 92 and name HG22) 2.397 2.397 1.218 weight 1.000 ! spec=HCH, no=2456, id=4052, vol=5.760000e+07
or (resid 92 and name HA) (resid 92 and name HG21)
or (resid 92 and name HA) (resid 92 and name HG23)
assign (resid 41 and name HD12) (resid 31 and name HA) 2.395 2.395 1.217 weight 1.000 ! spec=HCH, no=2459, id=4055, vol=5.780000e+07
or (resid 41 and name HD11) (resid 31 and name HA)
or (resid 41 and name HD13) (resid 31 and name HA)
assign (resid 26 and name HB) (resid 26 and name HG21) 2.392 2.392 1.215 weight 1.000 ! spec=HCH, no=2462, id=4058, vol=5.830000e+07
or (resid 26 and name HB) (resid 26 and name HG22)
or (resid 26 and name HB) (resid 26 and name HG23)
assign (resid 22 and name HG1) (resid 22 and name HB1) 2.392 2.392 1.215 weight 1.000 ! spec=HCH, no=2463, id=4059, vol=5.830000e+07
assign (resid 3 and name HA) (resid 3 and name HB2) 2.388 2.388 1.213 weight 1.000 ! spec=HCH, no=2469, id=4065, vol=5.890000e+07
or (resid 3 and name HA) (resid 3 and name HB1)
assign (resid 92 and name HG11) (resid 92 and name HD12) 2.387 2.387 1.212 weight 1.000 ! spec=HCH, no=2471, id=4067, vol=5.910000e+07
or (resid 92 and name HG11) (resid 92 and name HD11)
or (resid 92 and name HG11) (resid 92 and name HD13)
assign (resid 104 and name HG11) (resid 104 and name HG22) 2.385 2.385 1.211 weight 1.000 ! spec=HCH, no=2473, id=4069, vol=5.930000e+07
or (resid 104 and name HG11) (resid 104 and name HG21)
or (resid 104 and name HG11) (resid 104 and name HG23)
assign (resid 73 and name HG2) (resid 73 and name HB2) 2.384 2.384 1.21 weight 1.000 ! spec=HCH, no=2476, id=4072, vol=5.950000e+07
or (resid 73 and name HG2) (resid 73 and name HB1)
assign (resid 68 and name HB1) (resid 68 and name HD12) 2.382 2.382 1.209 weight 1.000 ! spec=HCH, no=2478, id=4074, vol=5.970000e+07
or (resid 68 and name HB1) (resid 68 and name HD11)
or (resid 68 and name HB1) (resid 68 and name HD13)
assign (resid 126 and name HD12) (resid 4 and name HB1) 2.381 2.381 1.209 weight 1.000 ! spec=HCH, no=2480, id=4076, vol=5.990000e+07
or (resid 126 and name HD11) (resid 4 and name HB1)
or (resid 126 and name HD13) (resid 4 and name HB1)
assign (resid 123 and name HB1) (resid 123 and name HB2) 2.380 2.380 1.208 weight 1.000 ! spec=HCH, no=2483, id=4078, vol=6.000000e+07
assign (resid 80 and name HG22) (resid 31 and name HD22) 2.380 2.380 1.208 weight 1.000 ! spec=HCH, no=2484, id=4079, vol=6.010000e+07
or (resid 80 and name HG22) (resid 31 and name HD21)
or (resid 80 and name HG22) (resid 31 and name HD23)
or (resid 80 and name HG21) (resid 31 and name HD22)
or (resid 80 and name HG21) (resid 31 and name HD21)
or (resid 80 and name HG21) (resid 31 and name HD23)
or (resid 80 and name HG23) (resid 31 and name HD22)
or (resid 80 and name HG23) (resid 31 and name HD21)
or (resid 80 and name HG23) (resid 31 and name HD23)
assign (resid 90 and name HD22) (resid 89 and name HB) 2.379 2.379 1.208 weight 1.000 ! spec=HCH, no=2486, id=4081, vol=6.020000e+07
or (resid 90 and name HD21) (resid 89 and name HB)
or (resid 90 and name HD23) (resid 89 and name HB)
or (resid 90 and name HD12) (resid 89 and name HB)
or (resid 90 and name HD11) (resid 89 and name HB)
or (resid 90 and name HD13) (resid 89 and name HB)
assign (resid 75 and name HG1) (resid 75 and name HB1) 2.379 2.379 1.207 weight 1.000 ! spec=HCH, no=2487, id=4082, vol=6.030000e+07
assign (resid 11 and name HD22) (resid 56 and name HB2) 2.378 2.378 1.207 weight 1.000 ! spec=HCH, no=2489, id=4084, vol=6.030000e+07
or (resid 11 and name HD22) (resid 56 and name HB1)
or (resid 11 and name HD21) (resid 56 and name HB2)
or (resid 11 and name HD21) (resid 56 and name HB1)
or (resid 11 and name HD23) (resid 56 and name HB2)
or (resid 11 and name HD23) (resid 56 and name HB1)
assign (resid 26 and name HB) (resid 26 and name HA) 2.378 2.378 1.207 weight 1.000 ! spec=HCH, no=2491, id=4086, vol=6.040000e+07
assign (resid 29 and name HB2) (resid 29 and name HA) 2.377 2.377 1.207 weight 1.000 ! spec=HCH, no=2492, id=4087, vol=6.050000e+07
or (resid 29 and name HB1) (resid 29 and name HA)
assign (resid 107 and name HB1) (resid 107 and name HA) 2.377 2.377 1.207 weight 1.000 ! spec=HCH, no=2493, id=4088, vol=6.050000e+07
assign (resid 25 and name HB2) (resid 25 and name HB1) 2.375 2.375 1.205 weight 1.000 ! spec=HCH, no=2496, id=4091, vol=6.090000e+07
assign (resid 92 and name HG12) (resid 92 and name HD12) 2.374 2.374 1.205 weight 1.000 ! spec=HCH, no=2498, id=4093, vol=6.090000e+07
or (resid 92 and name HG12) (resid 92 and name HD11)
or (resid 92 and name HG12) (resid 92 and name HD13)
assign (resid 41 and name HB2) (resid 80 and name HD12) 2.374 2.374 1.204 weight 1.000 ! spec=HCH, no=2499, id=4094, vol=6.100000e+07
or (resid 41 and name HB2) (resid 80 and name HD11)
or (resid 41 and name HB2) (resid 80 and name HD13)
assign (resid 55 and name HB2) (resid 55 and name HA) 2.374 2.374 1.204 weight 1.000 ! spec=HCH, no=2500, id=4095, vol=6.110000e+07
assign (resid 7 and name HD2) (resid 6 and name HA) 2.372 2.372 1.203 weight 1.000 ! spec=HCH, no=2501, id=4096, vol=6.130000e+07
assign (resid 102 and name HA) (resid 102 and name HB2) 2.370 2.370 1.202 weight 1.000 ! spec=HCH, no=2502, id=4097, vol=6.160000e+07
or (resid 102 and name HA) (resid 102 and name HB1)
or (resid 102 and name HA) (resid 102 and name HB3)
assign (resid 35 and name HB2) (resid 32 and name HA) 2.366 2.366 1.199 weight 1.000 ! spec=HCH, no=2503, id=4098, vol=6.230000e+07
assign (resid 121 and name HG11) (resid 20 and name HA) 2.365 2.365 1.199 weight 1.000 ! spec=HCH, no=2504, id=4099, vol=6.240000e+07
assign (resid 20 and name HA) (resid 20 and name HG22) 2.364 2.364 1.198 weight 1.000 ! spec=HCH, no=2507, id=4102, vol=6.260000e+07
or (resid 20 and name HA) (resid 20 and name HG21)
or (resid 20 and name HA) (resid 20 and name HG23)
assign (resid 22 and name HB2) (resid 22 and name HA) 2.363 2.363 1.198 weight 1.000 ! spec=HCH, no=2509, id=4104, vol=6.270000e+07
assign (resid 8 and name HB1) (resid 8 and name HA) 2.361 2.361 1.197 weight 1.000 ! spec=HCH, no=2510, id=4105, vol=6.300000e+07
assign (resid 44 and name HG22) (resid 44 and name HG12) 2.360 2.360 1.196 weight 1.000 ! spec=HCH, no=2513, id=4108, vol=6.320000e+07
or (resid 44 and name HG21) (resid 44 and name HG12)
or (resid 44 and name HG23) (resid 44 and name HG12)
assign (resid 54 and name HD22) (resid 53 and name HB2) 2.359 2.359 1.195 weight 1.000 ! spec=HCH, no=2514, id=4109, vol=6.340000e+07
or (resid 54 and name HD21) (resid 53 and name HB2)
or (resid 54 and name HD23) (resid 53 and name HB2)
assign (resid 108 and name HB2) (resid 108 and name HA) 2.358 2.358 1.195 weight 1.000 ! spec=HCH, no=2515, id=4110, vol=6.360000e+07
or (resid 108 and name HB1) (resid 108 and name HA)
assign (resid 80 and name HG11) (resid 80 and name HG22) 2.356 2.356 1.194 weight 1.000 ! spec=HCH, no=2520, id=4115, vol=6.380000e+07
or (resid 80 and name HG11) (resid 80 and name HG21)
or (resid 80 and name HG11) (resid 80 and name HG23)
assign (resid 128 and name HB1) (resid 128 and name HA) 2.356 2.356 1.194 weight 1.000 ! spec=HCH, no=2521, id=4116, vol=6.380000e+07
assign (resid 75 and name HG2) (resid 75 and name HB1) 2.354 2.354 1.193 weight 1.000 ! spec=HCH, no=2522, id=4117, vol=6.410000e+07
assign (resid 68 and name HG) (resid 68 and name HD22) 2.354 2.354 1.193 weight 1.000 ! spec=HCH, no=2523, id=4118, vol=6.420000e+07
or (resid 68 and name HG) (resid 68 and name HD21)
or (resid 68 and name HG) (resid 68 and name HD23)
assign (resid 33 and name HB2) (resid 33 and name HB1) 2.352 2.352 1.192 weight 1.000 ! spec=HCH, no=2524, id=4119, vol=6.440000e+07
assign (resid 114 and name HB1) (resid 114 and name HB2) 2.352 2.352 1.191 weight 1.000 ! spec=HCH, no=2526, id=4121, vol=6.450000e+07
assign (resid 30 and name HA2) (resid 30 and name HA1) 2.351 2.351 1.191 weight 1.000 ! spec=HCH, no=2527, id=4122, vol=6.470000e+07
assign (resid 53 and name HD12) (resid 50 and name HD22) 2.348 2.348 1.189 weight 1.000 ! spec=HCH, no=2530, id=4125, vol=6.510000e+07
or (resid 53 and name HD12) (resid 50 and name HD21)
or (resid 53 and name HD12) (resid 50 and name HD23)
or (resid 53 and name HD11) (resid 50 and name HD22)
or (resid 53 and name HD11) (resid 50 and name HD21)
or (resid 53 and name HD11) (resid 50 and name HD23)
or (resid 53 and name HD13) (resid 50 and name HD22)
or (resid 53 and name HD13) (resid 50 and name HD21)
or (resid 53 and name HD13) (resid 50 and name HD23)
assign (resid 105 and name HB1) (resid 110 and name HG21) 2.348 2.348 1.189 weight 1.000 ! spec=HCH, no=2531, id=4126, vol=6.510000e+07
or (resid 105 and name HB1) (resid 110 and name HG22)
or (resid 105 and name HB1) (resid 110 and name HG23)
assign (resid 17 and name HB2) (resid 17 and name HB1) 2.345 2.345 1.187 weight 1.000 ! spec=HCH, no=2536, id=4131, vol=6.560000e+07
assign (resid 104 and name HG22) (resid 104 and name HA) 2.345 2.345 1.187 weight 1.000 ! spec=HCH, no=2538, id=4133, vol=6.570000e+07
or (resid 104 and name HG21) (resid 104 and name HA)
or (resid 104 and name HG23) (resid 104 and name HA)
assign (resid 37 and name HG2) (resid 37 and name HG1) 2.343 2.343 1.186 weight 1.000 ! spec=HCH, no=2539, id=4134, vol=6.590000e+07
assign (resid 53 and name HD12) (resid 53 and name HG) 2.343 2.343 1.186 weight 1.000 ! spec=HCH, no=2540, id=4135, vol=6.600000e+07
or (resid 53 and name HD11) (resid 53 and name HG)
or (resid 53 and name HD13) (resid 53 and name HG)
assign (resid 90 and name HG) (resid 89 and name HG22) 2.342 2.342 1.186 weight 1.000 ! spec=HCH, no=2542, id=4137, vol=6.620000e+07
or (resid 90 and name HG) (resid 89 and name HG21)
or (resid 90 and name HG) (resid 89 and name HG23)
assign (resid 41 and name HB1) (resid 41 and name HD22) 2.341 2.341 1.185 weight 1.000 ! spec=HCH, no=2544, id=4139, vol=6.640000e+07
or (resid 41 and name HB1) (resid 41 and name HD21)
or (resid 41 and name HB1) (resid 41 and name HD23)
assign (resid 52 and name HB2) (resid 52 and name HB1) 2.340 2.340 1.185 weight 1.000 ! spec=HCH, no=2545, id=4140, vol=6.640000e+07
assign (resid 40 and name HG21) (resid 43 and name HD22) 2.339 2.339 1.184 weight 1.000 ! spec=HCH, no=2546, id=4141, vol=6.660000e+07
or (resid 40 and name HG21) (resid 43 and name HD21)
or (resid 40 and name HG21) (resid 43 and name HD23)
or (resid 40 and name HG22) (resid 43 and name HD22)
or (resid 40 and name HG22) (resid 43 and name HD21)
or (resid 40 and name HG22) (resid 43 and name HD23)
or (resid 40 and name HG23) (resid 43 and name HD22)
or (resid 40 and name HG23) (resid 43 and name HD21)
or (resid 40 and name HG23) (resid 43 and name HD23)
assign (resid 53 and name HB1) (resid 53 and name HD12) 2.337 2.337 1.183 weight 1.000 ! spec=HCH, no=2550, id=4145, vol=6.700000e+07
or (resid 53 and name HB1) (resid 53 and name HD11)
or (resid 53 and name HB1) (resid 53 and name HD13)
assign (resid 84 and name HG21) (resid 84 and name HA) 2.337 2.337 1.183 weight 1.000 ! spec=HCH, no=2552, id=4147, vol=6.700000e+07
or (resid 84 and name HG22) (resid 84 and name HA)
or (resid 84 and name HG23) (resid 84 and name HA)
assign (resid 89 and name HB) (resid 50 and name HD12) 2.335 2.335 1.181 weight 1.000 ! spec=HCH, no=2555, id=4150, vol=6.740000e+07
or (resid 89 and name HB) (resid 50 and name HD11)
or (resid 89 and name HB) (resid 50 and name HD13)
assign (resid 72 and name HB1) (resid 72 and name HD12) 2.334 2.334 1.181 weight 1.000 ! spec=HCH, no=2557, id=4152, vol=6.750000e+07
or (resid 72 and name HB1) (resid 72 and name HD11)
or (resid 72 and name HB1) (resid 72 and name HD13)
assign (resid 72 and name HA) (resid 73 and name HA) 2.333 2.333 1.18 weight 1.000 ! spec=HCH, no=2560, id=4155, vol=6.770000e+07
assign (resid 121 and name HG12) (resid 121 and name HD12) 2.331 2.331 1.179 weight 1.000 ! spec=HCH, no=2564, id=4159, vol=6.800000e+07
or (resid 121 and name HG12) (resid 121 and name HD11)
or (resid 121 and name HG12) (resid 121 and name HD13)
assign (resid 96 and name HB) (resid 96 and name HG21) 2.331 2.331 1.179 weight 1.000 ! spec=HCH, no=2565, id=4160, vol=6.810000e+07
or (resid 96 and name HB) (resid 96 and name HG22)
or (resid 96 and name HB) (resid 96 and name HG23)
assign (resid 109 and name HG22) (resid 109 and name HA) 2.330 2.330 1.178 weight 1.000 ! spec=HCH, no=2566, id=4161, vol=6.830000e+07
or (resid 109 and name HG21) (resid 109 and name HA)
or (resid 109 and name HG23) (resid 109 and name HA)
assign (resid 85 and name HA) (resid 85 and name HD12) 2.329 2.329 1.178 weight 1.000 ! spec=HCH, no=2567, id=4162, vol=6.830000e+07
or (resid 85 and name HA) (resid 85 and name HD11)
or (resid 85 and name HA) (resid 85 and name HD13)
assign (resid 23 and name HB) (resid 23 and name HA) 2.329 2.329 1.178 weight 1.000 ! spec=HCH, no=2568, id=4163, vol=6.840000e+07
assign (resid 93 and name HA) (resid 93 and name HG21) 2.328 2.328 1.178 weight 1.000 ! spec=HCH, no=2569, id=4164, vol=6.850000e+07
or (resid 93 and name HA) (resid 93 and name HG22)
or (resid 93 and name HA) (resid 93 and name HG23)
assign (resid 91 and name HA) (resid 91 and name HB2) 2.325 2.325 1.176 weight 1.000 ! spec=HCH, no=2573, id=4168, vol=6.910000e+07
or (resid 91 and name HA) (resid 91 and name HB1)
assign (resid 80 and name HG12) (resid 80 and name HD12) 2.325 2.325 1.176 weight 1.000 ! spec=HCH, no=2574, id=4169, vol=6.910000e+07
or (resid 80 and name HG12) (resid 80 and name HD11)
or (resid 80 and name HG12) (resid 80 and name HD13)
assign (resid 44 and name HB) (resid 44 and name HD12) 2.323 2.323 1.175 weight 1.000 ! spec=HCH, no=2576, id=4171, vol=6.940000e+07
or (resid 44 and name HB) (resid 44 and name HD11)
or (resid 44 and name HB) (resid 44 and name HD13)
assign (resid 121 and name HB) (resid 121 and name HD12) 2.323 2.323 1.174 weight 1.000 ! spec=HCH, no=2577, id=4172, vol=6.950000e+07
or (resid 121 and name HB) (resid 121 and name HD11)
or (resid 121 and name HB) (resid 121 and name HD13)
assign (resid 4 and name HD12) (resid 127 and name HD1) 2.315 2.315 1.17 weight 1.000 ! spec=HCH, no=2584, id=4179, vol=7.090000e+07
or (resid 4 and name HD12) (resid 127 and name HD2)
or (resid 4 and name HD11) (resid 127 and name HD1)
or (resid 4 and name HD11) (resid 127 and name HD2)
or (resid 4 and name HD13) (resid 127 and name HD1)
or (resid 4 and name HD13) (resid 127 and name HD2)
assign (resid 53 and name HB1) (resid 53 and name HD22) 2.313 2.313 1.169 weight 1.000 ! spec=HCH, no=2585, id=4180, vol=7.120000e+07
or (resid 53 and name HB1) (resid 53 and name HD21)
or (resid 53 and name HB1) (resid 53 and name HD23)
assign (resid 71 and name HB) (resid 71 and name HG21) 2.312 2.312 1.168 weight 1.000 ! spec=HCH, no=2589, id=4184, vol=7.160000e+07
or (resid 71 and name HB) (resid 71 and name HG22)
or (resid 71 and name HB) (resid 71 and name HG23)
assign (resid 80 and name HB) (resid 80 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HCH, no=2590, id=4185, vol=7.160000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HCH, no=2591, id=4186, vol=7.160000e+07
or (resid 51 and name HB1) (resid 51 and name HA)
assign (resid 85 and name HD22) (resid 92 and name HD12) 2.310 2.310 1.167 weight 1.000 ! spec=HCH, no=2593, id=4188, vol=7.180000e+07
or (resid 85 and name HD22) (resid 92 and name HD11)
or (resid 85 and name HD22) (resid 92 and name HD13)
or (resid 85 and name HD21) (resid 92 and name HD12)
or (resid 85 and name HD21) (resid 92 and name HD11)
or (resid 85 and name HD21) (resid 92 and name HD13)
or (resid 85 and name HD23) (resid 92 and name HD12)
or (resid 85 and name HD23) (resid 92 and name HD11)
or (resid 85 and name HD23) (resid 92 and name HD13)
assign (resid 20 and name HG12) (resid 20 and name HA) 2.306 2.306 1.165 weight 1.000 ! spec=HCH, no=2597, id=4192, vol=7.260000e+07
or (resid 20 and name HG11) (resid 20 and name HA)
or (resid 20 and name HG13) (resid 20 and name HA)
assign (resid 66 and name HB) (resid 66 and name HG22) 2.303 2.303 1.163 weight 1.000 ! spec=HCH, no=2598, id=4193, vol=7.320000e+07
or (resid 66 and name HB) (resid 66 and name HG21)
or (resid 66 and name HB) (resid 66 and name HG23)
assign (resid 61 and name HB2) (resid 61 and name HA) 2.303 2.303 1.163 weight 1.000 ! spec=HCH, no=2599, id=4194, vol=7.320000e+07
assign (resid 104 and name HN) (resid 103 and name HB2) 2.302 2.302 1.163 weight 1.000 ! spec=HCH, no=2600, id=4195, vol=7.330000e+07
or (resid 104 and name HN) (resid 103 and name HB1)
or (resid 104 and name HN) (resid 103 and name HB3)
assign (resid 122 and name HB1) (resid 122 and name HB2) 2.302 2.302 1.163 weight 1.000 ! spec=HCH, no=2601, id=4196, vol=7.330000e+07
assign (resid 124 and name HE2) (resid 39 and name HB2) 2.302 2.302 1.162 weight 1.000 ! spec=HCH, no=2602, id=4197, vol=7.350000e+07
or (resid 124 and name HE2) (resid 39 and name HB1)
or (resid 124 and name HE2) (resid 39 and name HB3)
or (resid 124 and name HE1) (resid 39 and name HB2)
or (resid 124 and name HE1) (resid 39 and name HB1)
or (resid 124 and name HE1) (resid 39 and name HB3)
assign (resid 66 and name HA) (resid 66 and name HG22) 2.301 2.301 1.162 weight 1.000 ! spec=HCH, no=2603, id=4198, vol=7.350000e+07
or (resid 66 and name HA) (resid 66 and name HG21)
or (resid 66 and name HA) (resid 66 and name HG23)
assign (resid 34 and name HB2) (resid 34 and name HB1) 2.299 2.299 1.161 weight 1.000 ! spec=HCH, no=2606, id=4201, vol=7.400000e+07
assign (resid 53 and name HD12) (resid 121 and name HG22) 2.298 2.298 1.16 weight 1.000 ! spec=HCH, no=2607, id=4202, vol=7.420000e+07
or (resid 53 and name HD12) (resid 121 and name HG21)
or (resid 53 and name HD12) (resid 121 and name HG23)
or (resid 53 and name HD11) (resid 121 and name HG22)
or (resid 53 and name HD11) (resid 121 and name HG21)
or (resid 53 and name HD11) (resid 121 and name HG23)
or (resid 53 and name HD13) (resid 121 and name HG22)
or (resid 53 and name HD13) (resid 121 and name HG21)
or (resid 53 and name HD13) (resid 121 and name HG23)
assign (resid 100 and name HB1) (resid 100 and name HB2) 2.296 2.296 1.159 weight 1.000 ! spec=HCH, no=2610, id=4205, vol=7.450000e+07
assign (resid 55 and name HB1) (resid 55 and name HA) 2.294 2.294 1.158 weight 1.000 ! spec=HCH, no=2612, id=4207, vol=7.480000e+07
assign (resid 41 and name HG) (resid 41 and name HD22) 2.293 2.293 1.157 weight 1.000 ! spec=HCH, no=2614, id=4209, vol=7.520000e+07
or (resid 41 and name HG) (resid 41 and name HD21)
or (resid 41 and name HG) (resid 41 and name HD23)
assign (resid 115 and name HA) (resid 26 and name HG21) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2616, id=4211, vol=7.520000e+07
or (resid 115 and name HA) (resid 26 and name HG22)
or (resid 115 and name HA) (resid 26 and name HG23)
assign (resid 80 and name HD12) (resid 31 and name HD22) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2617, id=4212, vol=7.530000e+07
or (resid 80 and name HD12) (resid 31 and name HD21)
or (resid 80 and name HD12) (resid 31 and name HD23)
or (resid 80 and name HD11) (resid 31 and name HD22)
or (resid 80 and name HD11) (resid 31 and name HD21)
or (resid 80 and name HD11) (resid 31 and name HD23)
or (resid 80 and name HD13) (resid 31 and name HD22)
or (resid 80 and name HD13) (resid 31 and name HD21)
or (resid 80 and name HD13) (resid 31 and name HD23)
assign (resid 8 and name HA) (resid 8 and name HB2) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2618, id=4213, vol=7.530000e+07
assign (resid 53 and name HB2) (resid 53 and name HD12) 2.292 2.292 1.157 weight 1.000 ! spec=HCH, no=2619, id=4214, vol=7.530000e+07
or (resid 53 and name HB2) (resid 53 and name HD11)
or (resid 53 and name HB2) (resid 53 and name HD13)
assign (resid 102 and name HB2) (resid 68 and name HD12) 2.291 2.291 1.156 weight 1.000 ! spec=HCH, no=2621, id=4216, vol=7.540000e+07
or (resid 102 and name HB2) (resid 68 and name HD11)
or (resid 102 and name HB2) (resid 68 and name HD13)
or (resid 102 and name HB1) (resid 68 and name HD12)
or (resid 102 and name HB1) (resid 68 and name HD11)
or (resid 102 and name HB1) (resid 68 and name HD13)
or (resid 102 and name HB3) (resid 68 and name HD12)
or (resid 102 and name HB3) (resid 68 and name HD11)
or (resid 102 and name HB3) (resid 68 and name HD13)
assign (resid 73 and name HB2) (resid 73 and name HA) 2.291 2.291 1.156 weight 1.000 ! spec=HCH, no=2623, id=4218, vol=7.550000e+07
or (resid 73 and name HB1) (resid 73 and name HA)
assign (resid 7 and name HB2) (resid 7 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HCH, no=2629, id=4224, vol=7.620000e+07
assign (resid 40 and name HA) (resid 40 and name HG21) 2.284 2.284 1.152 weight 1.000 ! spec=HCH, no=2634, id=4229, vol=7.690000e+07
or (resid 40 and name HA) (resid 40 and name HG22)
or (resid 40 and name HA) (resid 40 and name HG23)
assign (resid 85 and name HG) (resid 85 and name HD22) 2.283 2.283 1.152 weight 1.000 ! spec=HCH, no=2636, id=4231, vol=7.710000e+07
or (resid 85 and name HG) (resid 85 and name HD21)
or (resid 85 and name HG) (resid 85 and name HD23)
assign (resid 16 and name HG1) (resid 16 and name HG2) 2.282 2.282 1.151 weight 1.000 ! spec=HCH, no=2639, id=4234, vol=7.740000e+07
assign (resid 53 and name HA) (resid 53 and name HD22) 2.282 2.282 1.151 weight 1.000 ! spec=HCH, no=2640, id=4235, vol=7.740000e+07
or (resid 53 and name HA) (resid 53 and name HD21)
or (resid 53 and name HA) (resid 53 and name HD23)
assign (resid 131 and name HD22) (resid 130 and name HG21) 2.277 2.277 1.148 weight 1.000 ! spec=HCH, no=2645, id=4240, vol=7.840000e+07
or (resid 131 and name HD22) (resid 130 and name HG22)
or (resid 131 and name HD22) (resid 130 and name HG23)
or (resid 131 and name HD21) (resid 130 and name HG21)
or (resid 131 and name HD21) (resid 130 and name HG22)
or (resid 131 and name HD21) (resid 130 and name HG23)
or (resid 131 and name HD23) (resid 130 and name HG21)
or (resid 131 and name HD23) (resid 130 and name HG22)
or (resid 131 and name HD23) (resid 130 and name HG23)
assign (resid 2 and name HA) (resid 2 and name HB2) 2.274 2.274 1.147 weight 1.000 ! spec=HCH, no=2649, id=4244, vol=7.890000e+07
or (resid 2 and name HA) (resid 2 and name HB1)
or (resid 2 and name HA) (resid 2 and name HB3)
assign (resid 80 and name HA) (resid 80 and name HG22) 2.273 2.273 1.146 weight 1.000 ! spec=HCH, no=2650, id=4245, vol=7.920000e+07
or (resid 80 and name HA) (resid 80 and name HG21)
or (resid 80 and name HA) (resid 80 and name HG23)
assign (resid 71 and name HG21) (resid 69 and name HB2) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2651, id=4246, vol=7.930000e+07
or (resid 71 and name HG22) (resid 69 and name HB2)
or (resid 71 and name HG23) (resid 69 and name HB2)
assign (resid 66 and name HG22) (resid 104 and name HD12) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2652, id=4247, vol=7.930000e+07
or (resid 66 and name HG22) (resid 104 and name HD11)
or (resid 66 and name HG22) (resid 104 and name HD13)
or (resid 66 and name HG21) (resid 104 and name HD12)
or (resid 66 and name HG21) (resid 104 and name HD11)
or (resid 66 and name HG21) (resid 104 and name HD13)
or (resid 66 and name HG23) (resid 104 and name HD12)
or (resid 66 and name HG23) (resid 104 and name HD11)
or (resid 66 and name HG23) (resid 104 and name HD13)
assign (resid 42 and name HE2) (resid 44 and name HA) 2.272 2.272 1.145 weight 1.000 ! spec=HCH, no=2653, id=4248, vol=7.940000e+07
or (resid 42 and name HE1) (resid 44 and name HA)
or (resid 42 and name HE3) (resid 44 and name HA)
assign (resid 75 and name HG1) (resid 72 and name HD22) 2.271 2.271 1.145 weight 1.000 ! spec=HCH, no=2655, id=4250, vol=7.950000e+07
or (resid 75 and name HG1) (resid 72 and name HD21)
or (resid 75 and name HG1) (resid 72 and name HD23)
assign (resid 63 and name HB1) (resid 103 and name HB2) 2.269 2.269 1.144 weight 1.000 ! spec=HCH, no=2658, id=4253, vol=7.990000e+07
or (resid 63 and name HB1) (resid 103 and name HB1)
or (resid 63 and name HB1) (resid 103 and name HB3)
assign (resid 53 and name HB1) (resid 53 and name HB2) 2.269 2.269 1.144 weight 1.000 ! spec=HCH, no=2659, id=4254, vol=7.990000e+07
assign (resid 112 and name HB2) (resid 112 and name HB1) 2.268 2.268 1.143 weight 1.000 ! spec=HCH, no=2661, id=4256, vol=8.030000e+07
assign (resid 56 and name HB2) (resid 56 and name HA) 2.268 2.268 1.143 weight 1.000 ! spec=HCH, no=2662, id=4257, vol=8.030000e+07
or (resid 56 and name HB1) (resid 56 and name HA)
assign (resid 4 and name HB1) (resid 4 and name HA) 2.263 2.263 1.14 weight 1.000 ! spec=HCH, no=2665, id=4260, vol=8.130000e+07
assign (resid 31 and name HD22) (resid 41 and name HB2) 2.263 2.263 1.14 weight 1.000 ! spec=HCH, no=2667, id=4262, vol=8.140000e+07
or (resid 31 and name HD21) (resid 41 and name HB2)
or (resid 31 and name HD23) (resid 41 and name HB2)
assign (resid 37 and name HD2) (resid 37 and name HE2) 2.261 2.261 1.139 weight 1.000 ! spec=HCH, no=2668, id=4263, vol=8.170000e+07
or (resid 37 and name HD2) (resid 37 and name HE1)
assign (resid 80 and name HD12) (resid 43 and name HD12) 2.260 2.260 1.139 weight 1.000 ! spec=HCH, no=2669, id=4264, vol=8.190000e+07
or (resid 80 and name HD12) (resid 43 and name HD11)
or (resid 80 and name HD12) (resid 43 and name HD13)
or (resid 80 and name HD11) (resid 43 and name HD12)
or (resid 80 and name HD11) (resid 43 and name HD11)
or (resid 80 and name HD11) (resid 43 and name HD13)
or (resid 80 and name HD13) (resid 43 and name HD12)
or (resid 80 and name HD13) (resid 43 and name HD11)
or (resid 80 and name HD13) (resid 43 and name HD13)
assign (resid 68 and name HD12) (resid 68 and name HD22) 2.255 2.255 1.136 weight 1.000 ! spec=HCH, no=2673, id=4268, vol=8.300000e+07
or (resid 68 and name HD12) (resid 68 and name HD21)
or (resid 68 and name HD12) (resid 68 and name HD23)
or (resid 68 and name HD11) (resid 68 and name HD22)
or (resid 68 and name HD11) (resid 68 and name HD21)
or (resid 68 and name HD11) (resid 68 and name HD23)
or (resid 68 and name HD13) (resid 68 and name HD22)
or (resid 68 and name HD13) (resid 68 and name HD21)
or (resid 68 and name HD13) (resid 68 and name HD23)
assign (resid 82 and name HA2) (resid 82 and name HA1) 2.255 2.255 1.136 weight 1.000 ! spec=HCH, no=2674, id=4269, vol=8.310000e+07
assign (resid 12 and name HA) (resid 12 and name HB2) 2.254 2.254 1.135 weight 1.000 ! spec=HCH, no=2676, id=4271, vol=8.320000e+07
or (resid 12 and name HA) (resid 12 and name HB1)
assign (resid 69 and name HD1) (resid 69 and name HD2) 2.252 2.252 1.134 weight 1.000 ! spec=HCH, no=2678, id=4273, vol=8.370000e+07
assign (resid 42 and name HE2) (resid 18 and name HE1) 2.250 2.250 1.133 weight 1.000 ! spec=HCH, no=2682, id=4277, vol=8.410000e+07
or (resid 42 and name HE2) (resid 18 and name HE2)
or (resid 42 and name HE1) (resid 18 and name HE1)
or (resid 42 and name HE1) (resid 18 and name HE2)
or (resid 42 and name HE3) (resid 18 and name HE1)
or (resid 42 and name HE3) (resid 18 and name HE2)
assign (resid 44 and name HG22) (resid 44 and name HA) 2.247 2.247 1.131 weight 1.000 ! spec=HCH, no=2685, id=4280, vol=8.470000e+07
or (resid 44 and name HG21) (resid 44 and name HA)
or (resid 44 and name HG23) (resid 44 and name HA)
assign (resid 26 and name HA) (resid 26 and name HG21) 2.247 2.247 1.131 weight 1.000 ! spec=HCH, no=2687, id=4282, vol=8.480000e+07
or (resid 26 and name HA) (resid 26 and name HG22)
or (resid 26 and name HA) (resid 26 and name HG23)
assign (resid 89 and name HB) (resid 47 and name HA) 2.246 2.246 1.131 weight 1.000 ! spec=HCH, no=2689, id=4284, vol=8.500000e+07
assign (resid 92 and name HG12) (resid 92 and name HG22) 2.246 2.246 1.13 weight 1.000 ! spec=HCH, no=2690, id=4285, vol=8.510000e+07
or (resid 92 and name HG12) (resid 92 and name HG21)
or (resid 92 and name HG12) (resid 92 and name HG23)
assign (resid 7 and name HB1) (resid 7 and name HB2) 2.245 2.245 1.13 weight 1.000 ! spec=HCH, no=2692, id=4287, vol=8.530000e+07
assign (resid 7 and name HG2) (resid 7 and name HG1) 2.243 2.243 1.129 weight 1.000 ! spec=HCH, no=2694, id=4289, vol=8.580000e+07
assign (resid 48 and name HA) (resid 48 and name HB2) 2.240 2.240 1.127 weight 1.000 ! spec=HCH, no=2695, id=4290, vol=8.640000e+07
or (resid 48 and name HA) (resid 48 and name HB1)
assign (resid 92 and name HD12) (resid 92 and name HG22) 2.237 2.237 1.126 weight 1.000 ! spec=HCH, no=2697, id=4292, vol=8.700000e+07
or (resid 92 and name HD12) (resid 92 and name HG21)
or (resid 92 and name HD12) (resid 92 and name HG23)
or (resid 92 and name HD11) (resid 92 and name HG22)
or (resid 92 and name HD11) (resid 92 and name HG21)
or (resid 92 and name HD11) (resid 92 and name HG23)
or (resid 92 and name HD13) (resid 92 and name HG22)
or (resid 92 and name HD13) (resid 92 and name HG21)
or (resid 92 and name HD13) (resid 92 and name HG23)
assign (resid 39 and name HB2) (resid 10 and name HH2) 2.236 2.236 1.125 weight 1.000 ! spec=HCH, no=2699, id=4294, vol=8.740000e+07
or (resid 39 and name HB1) (resid 10 and name HH2)
or (resid 39 and name HB3) (resid 10 and name HH2)
assign (resid 7 and name HD1) (resid 7 and name HD2) 2.236 2.236 1.125 weight 1.000 ! spec=HCH, no=2701, id=4296, vol=8.740000e+07
assign (resid 89 and name HN) (resid 89 and name HG12) 2.233 2.233 1.123 weight 1.000 ! spec=HCH, no=2702, id=4297, vol=8.800000e+07
or (resid 89 and name HN) (resid 89 and name HG11)
or (resid 89 and name HN) (resid 89 and name HG13)
assign (resid 16 and name HD1) (resid 16 and name HD2) 2.231 2.231 1.122 weight 1.000 ! spec=HCH, no=2707, id=4302, vol=8.850000e+07
assign (resid 73 and name HG1) (resid 73 and name HG2) 2.229 2.229 1.121 weight 1.000 ! spec=HCH, no=2708, id=4303, vol=8.890000e+07
assign (resid 119 and name HD1) (resid 119 and name HD2) 2.223 2.223 1.118 weight 1.000 ! spec=HCH, no=2711, id=4305, vol=9.050000e+07
assign (resid 126 and name HB1) (resid 126 and name HB2) 2.223 2.223 1.118 weight 1.000 ! spec=HCH, no=2712, id=4306, vol=9.050000e+07
assign (resid 20 and name HG12) (resid 57 and name HD12) 2.220 2.220 1.116 weight 1.000 ! spec=HCH, no=2714, id=4308, vol=9.120000e+07
or (resid 20 and name HG12) (resid 57 and name HD11)
or (resid 20 and name HG12) (resid 57 and name HD13)
or (resid 20 and name HG11) (resid 57 and name HD12)
or (resid 20 and name HG11) (resid 57 and name HD11)
or (resid 20 and name HG11) (resid 57 and name HD13)
or (resid 20 and name HG13) (resid 57 and name HD12)
or (resid 20 and name HG13) (resid 57 and name HD11)
or (resid 20 and name HG13) (resid 57 and name HD13)
assign (resid 50 and name HB2) (resid 50 and name HD12) 2.220 2.220 1.116 weight 1.000 ! spec=HCH, no=2715, id=4309, vol=9.120000e+07
or (resid 50 and name HB2) (resid 50 and name HD11)
or (resid 50 and name HB2) (resid 50 and name HD13)
assign (resid 37 and name HD1) (resid 37 and name HD2) 2.219 2.219 1.115 weight 1.000 ! spec=HCH, no=2717, id=4311, vol=9.160000e+07
assign (resid 109 and name HG12) (resid 109 and name HA) 2.218 2.218 1.115 weight 1.000 ! spec=HCH, no=2720, id=4314, vol=9.180000e+07
or (resid 109 and name HG11) (resid 109 and name HA)
or (resid 109 and name HG13) (resid 109 and name HA)
assign (resid 72 and name HA) (resid 72 and name HD22) 2.217 2.217 1.114 weight 1.000 ! spec=HCH, no=2722, id=4316, vol=9.200000e+07
or (resid 72 and name HA) (resid 72 and name HD21)
or (resid 72 and name HA) (resid 72 and name HD23)
assign (resid 112 and name HB1) (resid 112 and name HG2) 2.216 2.216 1.114 weight 1.000 ! spec=HCH, no=2723, id=4317, vol=9.220000e+07
assign (resid 54 and name HB2) (resid 54 and name HB1) 2.215 2.215 1.113 weight 1.000 ! spec=HCH, no=2724, id=4318, vol=9.250000e+07
assign (resid 32 and name HG22) (resid 32 and name HA) 2.214 2.214 1.113 weight 1.000 ! spec=HCH, no=2726, id=4320, vol=9.270000e+07
or (resid 32 and name HG21) (resid 32 and name HA)
or (resid 32 and name HG23) (resid 32 and name HA)
assign (resid 90 and name HA) (resid 90 and name HD22) 2.211 2.211 1.111 weight 1.000 ! spec=HCH, no=2729, id=4323, vol=9.340000e+07
or (resid 90 and name HA) (resid 90 and name HD21)
or (resid 90 and name HA) (resid 90 and name HD23)
or (resid 90 and name HA) (resid 90 and name HD12)
or (resid 90 and name HA) (resid 90 and name HD11)
or (resid 90 and name HA) (resid 90 and name HD13)
assign (resid 42 and name HG2) (resid 42 and name HE2) 2.207 2.207 1.109 weight 1.000 ! spec=HCH, no=2732, id=4326, vol=9.460000e+07
or (resid 42 and name HG2) (resid 42 and name HE1)
or (resid 42 and name HG2) (resid 42 and name HE3)
assign (resid 71 and name HG21) (resid 71 and name HA) 2.205 2.205 1.108 weight 1.000 ! spec=HCH, no=2733, id=4327, vol=9.510000e+07
or (resid 71 and name HG22) (resid 71 and name HA)
or (resid 71 and name HG23) (resid 71 and name HA)
assign (resid 58 and name HD2) (resid 58 and name HA) 2.204 2.204 1.107 weight 1.000 ! spec=HCH, no=2735, id=4329, vol=9.540000e+07
or (resid 58 and name HD1) (resid 58 and name HA)
assign (resid 46 and name HB2) (resid 46 and name HA) 2.203 2.203 1.107 weight 1.000 ! spec=HCH, no=2736, id=4330, vol=9.540000e+07
or (resid 46 and name HB1) (resid 46 and name HA)
assign (resid 104 and name HG11) (resid 104 and name HG12) 2.202 2.202 1.106 weight 1.000 ! spec=HCH, no=2737, id=4331, vol=9.570000e+07
assign (resid 23 and name HA) (resid 23 and name HG12) 2.202 2.202 1.106 weight 1.000 ! spec=HCH, no=2738, id=4332, vol=9.570000e+07
or (resid 23 and name HA) (resid 23 and name HG11)
or (resid 23 and name HA) (resid 23 and name HG13)
assign (resid 66 and name HG12) (resid 66 and name HD12) 2.197 2.197 1.104 weight 1.000 ! spec=HCH, no=2741, id=4335, vol=9.700000e+07
or (resid 66 and name HG12) (resid 66 and name HD11)
or (resid 66 and name HG12) (resid 66 and name HD13)
assign (resid 58 and name HB2) (resid 58 and name HA) 2.193 2.193 1.101 weight 1.000 ! spec=HCH, no=2745, id=4339, vol=9.820000e+07
or (resid 58 and name HB1) (resid 58 and name HA)
assign (resid 121 and name HG11) (resid 121 and name HG12) 2.192 2.192 1.101 weight 1.000 ! spec=HCH, no=2748, id=4342, vol=9.850000e+07
assign (resid 53 and name HG) (resid 53 and name HD22) 2.190 2.190 1.099 weight 1.000 ! spec=HCH, no=2751, id=4345, vol=9.910000e+07
or (resid 53 and name HG) (resid 53 and name HD21)
or (resid 53 and name HG) (resid 53 and name HD23)
assign (resid 47 and name HB2) (resid 47 and name HG2) 2.189 2.189 1.099 weight 1.000 ! spec=HCH, no=2752, id=4346, vol=9.930000e+07
or (resid 47 and name HB2) (resid 47 and name HG1)
or (resid 47 and name HB1) (resid 47 and name HG2)
or (resid 47 and name HB1) (resid 47 and name HG1)
assign (resid 92 and name HG12) (resid 92 and name HG11) 2.187 2.187 1.098 weight 1.000 ! spec=HCH, no=2754, id=4348, vol=9.970000e+07
assign (resid 23 and name HB) (resid 23 and name HG12) 2.187 2.187 1.098 weight 1.000 ! spec=HCH, no=2755, id=4349, vol=9.990000e+07
or (resid 23 and name HB) (resid 23 and name HG11)
or (resid 23 and name HB) (resid 23 and name HG13)
assign (resid 54 and name HB1) (resid 54 and name HD22) 2.183 2.183 1.096 weight 1.000 ! spec=HCH, no=2758, id=4352, vol=1.010000e+08
or (resid 54 and name HB1) (resid 54 and name HD21)
or (resid 54 and name HB1) (resid 54 and name HD23)
assign (resid 20 and name HG12) (resid 64 and name HD1) 2.180 2.180 1.094 weight 1.000 ! spec=HCH, no=2759, id=4353, vol=1.020000e+08
or (resid 20 and name HG12) (resid 64 and name HD2)
or (resid 20 and name HG11) (resid 64 and name HD1)
or (resid 20 and name HG11) (resid 64 and name HD2)
or (resid 20 and name HG13) (resid 64 and name HD1)
or (resid 20 and name HG13) (resid 64 and name HD2)
assign (resid 43 and name HD22) (resid 43 and name HG) 2.177 2.177 1.092 weight 1.000 ! spec=HCH, no=2760, id=4354, vol=1.030000e+08
or (resid 43 and name HD21) (resid 43 and name HG)
or (resid 43 and name HD23) (resid 43 and name HG)
assign (resid 78 and name HB1) (resid 78 and name HB2) 2.175 2.175 1.092 weight 1.000 ! spec=HCH, no=2763, id=4357, vol=1.030000e+08
assign (resid 41 and name HA) (resid 41 and name HD12) 2.175 2.175 1.091 weight 1.000 ! spec=HCH, no=2764, id=4358, vol=1.030000e+08
or (resid 41 and name HA) (resid 41 and name HD11)
or (resid 41 and name HA) (resid 41 and name HD13)
assign (resid 80 and name HB) (resid 80 and name HG22) 2.170 2.170 1.089 weight 1.000 ! spec=HCH, no=2769, id=4363, vol=1.040000e+08
or (resid 80 and name HB) (resid 80 and name HG21)
or (resid 80 and name HB) (resid 80 and name HG23)
assign (resid 66 and name HD12) (resid 104 and name HD12) 2.170 2.170 1.089 weight 1.000 ! spec=HCH, no=2770, id=4364, vol=1.040000e+08
or (resid 66 and name HD12) (resid 104 and name HD11)
or (resid 66 and name HD12) (resid 104 and name HD13)
or (resid 66 and name HD11) (resid 104 and name HD12)
or (resid 66 and name HD11) (resid 104 and name HD11)
or (resid 66 and name HD11) (resid 104 and name HD13)
or (resid 66 and name HD13) (resid 104 and name HD12)
or (resid 66 and name HD13) (resid 104 and name HD11)
or (resid 66 and name HD13) (resid 104 and name HD13)
assign (resid 53 and name HD12) (resid 42 and name HE2) 2.168 2.168 1.088 weight 1.000 ! spec=HCH, no=2771, id=4365, vol=1.050000e+08
or (resid 53 and name HD12) (resid 42 and name HE1)
or (resid 53 and name HD12) (resid 42 and name HE3)
or (resid 53 and name HD11) (resid 42 and name HE2)
or (resid 53 and name HD11) (resid 42 and name HE1)
or (resid 53 and name HD11) (resid 42 and name HE3)
or (resid 53 and name HD13) (resid 42 and name HE2)
or (resid 53 and name HD13) (resid 42 and name HE1)
or (resid 53 and name HD13) (resid 42 and name HE3)
assign (resid 59 and name HB2) (resid 59 and name HB1) 2.168 2.168 1.087 weight 1.000 ! spec=HCH, no=2772, id=4366, vol=1.050000e+08
assign (resid 124 and name HB1) (resid 124 and name HB2) 2.166 2.166 1.086 weight 1.000 ! spec=HCH, no=2773, id=4367, vol=1.060000e+08
assign (resid 68 and name HB2) (resid 102 and name HB2) 2.162 2.162 1.084 weight 1.000 ! spec=HCH, no=2779, id=4373, vol=1.070000e+08
or (resid 68 and name HB2) (resid 102 and name HB1)
or (resid 68 and name HB2) (resid 102 and name HB3)
assign (resid 121 and name HB) (resid 121 and name HG22) 2.155 2.155 1.08 weight 1.000 ! spec=HCH, no=2781, id=4375, vol=1.090000e+08
or (resid 121 and name HB) (resid 121 and name HG21)
or (resid 121 and name HB) (resid 121 and name HG23)
assign (resid 40 and name HN) (resid 39 and name HB2) 2.153 2.153 1.079 weight 1.000 ! spec=HCH, no=2782, id=4376, vol=1.100000e+08
or (resid 40 and name HN) (resid 39 and name HB1)
or (resid 40 and name HN) (resid 39 and name HB3)
assign (resid 40 and name HG21) (resid 80 and name HD12) 2.152 2.152 1.079 weight 1.000 ! spec=HCH, no=2784, id=4378, vol=1.100000e+08
or (resid 40 and name HG21) (resid 80 and name HD11)
or (resid 40 and name HG21) (resid 80 and name HD13)
or (resid 40 and name HG22) (resid 80 and name HD12)
or (resid 40 and name HG22) (resid 80 and name HD11)
or (resid 40 and name HG22) (resid 80 and name HD13)
or (resid 40 and name HG23) (resid 80 and name HD12)
or (resid 40 and name HG23) (resid 80 and name HD11)
or (resid 40 and name HG23) (resid 80 and name HD13)
assign (resid 41 and name HG) (resid 41 and name HD12) 2.150 2.150 1.078 weight 1.000 ! spec=HCH, no=2785, id=4379, vol=1.110000e+08
or (resid 41 and name HG) (resid 41 and name HD11)
or (resid 41 and name HG) (resid 41 and name HD13)
assign (resid 110 and name HB) (resid 110 and name HG21) 2.149 2.149 1.077 weight 1.000 ! spec=HCH, no=2786, id=4380, vol=1.110000e+08
or (resid 110 and name HB) (resid 110 and name HG22)
or (resid 110 and name HB) (resid 110 and name HG23)
assign (resid 50 and name HD22) (resid 42 and name HE2) 2.148 2.148 1.077 weight 1.000 ! spec=HCH, no=2787, id=4381, vol=1.110000e+08
or (resid 50 and name HD22) (resid 42 and name HE1)
or (resid 50 and name HD22) (resid 42 and name HE3)
or (resid 50 and name HD21) (resid 42 and name HE2)
or (resid 50 and name HD21) (resid 42 and name HE1)
or (resid 50 and name HD21) (resid 42 and name HE3)
or (resid 50 and name HD23) (resid 42 and name HE2)
or (resid 50 and name HD23) (resid 42 and name HE1)
or (resid 50 and name HD23) (resid 42 and name HE3)
assign (resid 92 and name HB) (resid 92 and name HG22) 2.144 2.144 1.074 weight 1.000 ! spec=HCH, no=2789, id=4383, vol=1.130000e+08
or (resid 92 and name HB) (resid 92 and name HG21)
or (resid 92 and name HB) (resid 92 and name HG23)
assign (resid 109 and name HG22) (resid 109 and name HB) 2.143 2.143 1.074 weight 1.000 ! spec=HCH, no=2791, id=4385, vol=1.130000e+08
or (resid 109 and name HG21) (resid 109 and name HB)
or (resid 109 and name HG23) (resid 109 and name HB)
assign (resid 40 and name HB) (resid 40 and name HG21) 2.141 2.141 1.073 weight 1.000 ! spec=HCH, no=2792, id=4386, vol=1.130000e+08
or (resid 40 and name HB) (resid 40 and name HG22)
or (resid 40 and name HB) (resid 40 and name HG23)
assign (resid 103 and name HA) (resid 103 and name HB2) 2.140 2.140 1.072 weight 1.000 ! spec=HCH, no=2793, id=4387, vol=1.140000e+08
or (resid 103 and name HA) (resid 103 and name HB1)
or (resid 103 and name HA) (resid 103 and name HB3)
assign (resid 43 and name HD12) (resid 43 and name HG) 2.134 2.134 1.069 weight 1.000 ! spec=HCH, no=2796, id=4390, vol=1.160000e+08
or (resid 43 and name HD11) (resid 43 and name HG)
or (resid 43 and name HD13) (resid 43 and name HG)
assign (resid 57 and name HG22) (resid 57 and name HD12) 2.131 2.131 1.068 weight 1.000 ! spec=HCH, no=2798, id=4392, vol=1.170000e+08
or (resid 57 and name HG22) (resid 57 and name HD11)
or (resid 57 and name HG22) (resid 57 and name HD13)
or (resid 57 and name HG21) (resid 57 and name HD12)
or (resid 57 and name HG21) (resid 57 and name HD11)
or (resid 57 and name HG21) (resid 57 and name HD13)
or (resid 57 and name HG23) (resid 57 and name HD12)
or (resid 57 and name HG23) (resid 57 and name HD11)
or (resid 57 and name HG23) (resid 57 and name HD13)
assign (resid 88 and name HB2) (resid 88 and name HA) 2.126 2.126 1.065 weight 1.000 ! spec=HCH, no=2801, id=4394, vol=1.180000e+08
or (resid 88 and name HB1) (resid 88 and name HA)
assign (resid 57 and name HB) (resid 57 and name HG22) 2.126 2.126 1.065 weight 1.000 ! spec=HCH, no=2802, id=4395, vol=1.180000e+08
or (resid 57 and name HB) (resid 57 and name HG21)
or (resid 57 and name HB) (resid 57 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HG22) 2.124 2.124 1.064 weight 1.000 ! spec=HCH, no=2805, id=4398, vol=1.190000e+08
or (resid 44 and name HB) (resid 44 and name HG21)
or (resid 44 and name HB) (resid 44 and name HG23)
assign (resid 84 and name HB) (resid 84 and name HG21) 2.124 2.124 1.064 weight 1.000 ! spec=HCH, no=2806, id=4399, vol=1.190000e+08
or (resid 84 and name HB) (resid 84 and name HG22)
or (resid 84 and name HB) (resid 84 and name HG23)
assign (resid 43 and name HB1) (resid 43 and name HB2) 2.121 2.121 1.062 weight 1.000 ! spec=HCH, no=2807, id=4400, vol=1.200000e+08
assign (resid 45 and name HG2) (resid 45 and name HB1) 2.120 2.120 1.062 weight 1.000 ! spec=HCH, no=2808, id=4401, vol=1.200000e+08
assign (resid 11 and name HD12) (resid 11 and name HA) 2.115 2.115 1.059 weight 1.000 ! spec=HCH, no=2810, id=4403, vol=1.220000e+08
or (resid 11 and name HD11) (resid 11 and name HA)
or (resid 11 and name HD13) (resid 11 and name HA)
assign (resid 78 and name HD2) (resid 78 and name HG2) 2.113 2.113 1.058 weight 1.000 ! spec=HCH, no=2812, id=4405, vol=1.230000e+08
or (resid 78 and name HD1) (resid 78 and name HG2)
assign (resid 44 and name HD12) (resid 44 and name HG12) 2.106 2.106 1.055 weight 1.000 ! spec=HCH, no=2816, id=4409, vol=1.250000e+08
or (resid 44 and name HD11) (resid 44 and name HG12)
or (resid 44 and name HD13) (resid 44 and name HG12)
assign (resid 106 and name HA2) (resid 106 and name HA1) 2.100 2.100 1.051 weight 1.000 ! spec=HCH, no=2819, id=4412, vol=1.270000e+08
assign (resid 60 and name HD2) (resid 60 and name HE2) 2.098 2.098 1.05 weight 1.000 ! spec=HCH, no=2824, id=4416, vol=1.280000e+08
or (resid 60 and name HD2) (resid 60 and name HE1)
or (resid 60 and name HD1) (resid 60 and name HE2)
or (resid 60 and name HD1) (resid 60 and name HE1)
assign (resid 121 and name HG22) (resid 121 and name HD12) 2.089 2.089 1.046 weight 1.000 ! spec=HCH, no=2829, id=4421, vol=1.310000e+08
or (resid 121 and name HG22) (resid 121 and name HD11)
or (resid 121 and name HG22) (resid 121 and name HD13)
or (resid 121 and name HG21) (resid 121 and name HD12)
or (resid 121 and name HG21) (resid 121 and name HD11)
or (resid 121 and name HG21) (resid 121 and name HD13)
or (resid 121 and name HG23) (resid 121 and name HD12)
or (resid 121 and name HG23) (resid 121 and name HD11)
or (resid 121 and name HG23) (resid 121 and name HD13)
assign (resid 126 and name HD22) (resid 126 and name HG) 2.084 2.084 1.043 weight 1.000 ! spec=HCH, no=2833, id=4425, vol=1.330000e+08
or (resid 126 and name HD21) (resid 126 and name HG)
or (resid 126 and name HD23) (resid 126 and name HG)
assign (resid 57 and name HG12) (resid 57 and name HD12) 2.081 2.081 1.041 weight 1.000 ! spec=HCH, no=2835, id=4427, vol=1.340000e+08
or (resid 57 and name HG12) (resid 57 and name HD11)
or (resid 57 and name HG12) (resid 57 and name HD13)
assign (resid 23 and name HG22) (resid 23 and name HB) 2.081 2.081 1.041 weight 1.000 ! spec=HCH, no=2836, id=4428, vol=1.340000e+08
or (resid 23 and name HG21) (resid 23 and name HB)
or (resid 23 and name HG23) (resid 23 and name HB)
assign (resid 32 and name HA) (resid 32 and name HG12) 2.079 2.079 1.04 weight 1.000 ! spec=HCH, no=2837, id=4429, vol=1.350000e+08
or (resid 32 and name HA) (resid 32 and name HG11)
or (resid 32 and name HA) (resid 32 and name HG13)
assign (resid 102 and name HB2) (resid 66 and name HD12) 2.073 2.073 1.037 weight 1.000 ! spec=HCH, no=2842, id=4434, vol=1.380000e+08
or (resid 102 and name HB2) (resid 66 and name HD11)
or (resid 102 and name HB2) (resid 66 and name HD13)
or (resid 102 and name HB1) (resid 66 and name HD12)
or (resid 102 and name HB1) (resid 66 and name HD11)
or (resid 102 and name HB1) (resid 66 and name HD13)
or (resid 102 and name HB3) (resid 66 and name HD12)
or (resid 102 and name HB3) (resid 66 and name HD11)
or (resid 102 and name HB3) (resid 66 and name HD13)
assign (resid 123 and name HA) (resid 18 and name HA) 2.071 2.071 1.036 weight 1.000 ! spec=HCH, no=2845, id=4437, vol=1.380000e+08
assign (resid 60 and name HD2) (resid 60 and name HG2) 2.071 2.071 1.036 weight 1.000 ! spec=HCH, no=2846, id=4438, vol=1.380000e+08
or (resid 60 and name HD2) (resid 60 and name HG1)
or (resid 60 and name HD1) (resid 60 and name HG2)
or (resid 60 and name HD1) (resid 60 and name HG1)
assign (resid 126 and name HD12) (resid 126 and name HG) 2.070 2.070 1.036 weight 1.000 ! spec=HCH, no=2847, id=4439, vol=1.390000e+08
or (resid 126 and name HD11) (resid 126 and name HG)
or (resid 126 and name HD13) (resid 126 and name HG)
assign (resid 50 and name HA) (resid 50 and name HD22) 2.068 2.068 1.034 weight 1.000 ! spec=HCH, no=2850, id=4442, vol=1.400000e+08
or (resid 50 and name HA) (resid 50 and name HD21)
or (resid 50 and name HA) (resid 50 and name HD23)
assign (resid 42 and name HG1) (resid 42 and name HE2) 2.063 2.063 1.032 weight 1.000 ! spec=HCH, no=2853, id=4445, vol=1.410000e+08
or (resid 42 and name HG1) (resid 42 and name HE1)
or (resid 42 and name HG1) (resid 42 and name HE3)
assign (resid 39 and name HA) (resid 39 and name HB2) 2.063 2.063 1.032 weight 1.000 ! spec=HCH, no=2855, id=4447, vol=1.420000e+08
or (resid 39 and name HA) (resid 39 and name HB1)
or (resid 39 and name HA) (resid 39 and name HB3)
assign (resid 86 and name HB2) (resid 86 and name HB1) 2.062 2.062 1.031 weight 1.000 ! spec=HCH, no=2856, id=4448, vol=1.420000e+08
assign (resid 85 and name HG) (resid 85 and name HD12) 2.061 2.061 1.031 weight 1.000 ! spec=HCH, no=2857, id=4449, vol=1.420000e+08
or (resid 85 and name HG) (resid 85 and name HD11)
or (resid 85 and name HG) (resid 85 and name HD13)
assign (resid 4 and name HB1) (resid 4 and name HD22) 2.059 2.059 1.03 weight 1.000 ! spec=HCH, no=2859, id=4451, vol=1.430000e+08
or (resid 4 and name HB1) (resid 4 and name HD21)
or (resid 4 and name HB1) (resid 4 and name HD23)
assign (resid 108 and name HG2) (resid 108 and name HG1) 2.057 2.057 1.029 weight 1.000 ! spec=HCH, no=2860, id=4452, vol=1.440000e+08
assign (resid 89 and name HG22) (resid 89 and name HB) 2.056 2.056 1.028 weight 1.000 ! spec=HCH, no=2862, id=4454, vol=1.450000e+08
or (resid 89 and name HG21) (resid 89 and name HB)
or (resid 89 and name HG23) (resid 89 and name HB)
assign (resid 51 and name HG2) (resid 51 and name HB2) 2.050 2.050 1.025 weight 1.000 ! spec=HCH, no=2869, id=4461, vol=1.470000e+08
or (resid 51 and name HG2) (resid 51 and name HB1)
assign (resid 22 and name HB2) (resid 22 and name HB1) 2.049 2.049 1.025 weight 1.000 ! spec=HCH, no=2870, id=4462, vol=1.480000e+08
assign (resid 53 and name HD12) (resid 20 and name HG22) 2.047 2.047 1.024 weight 1.000 ! spec=HCH, no=2871, id=4463, vol=1.480000e+08
or (resid 53 and name HD12) (resid 20 and name HG21)
or (resid 53 and name HD12) (resid 20 and name HG23)
or (resid 53 and name HD11) (resid 20 and name HG22)
or (resid 53 and name HD11) (resid 20 and name HG21)
or (resid 53 and name HD11) (resid 20 and name HG23)
or (resid 53 and name HD13) (resid 20 and name HG22)
or (resid 53 and name HD13) (resid 20 and name HG21)
or (resid 53 and name HD13) (resid 20 and name HG23)
assign (resid 48 and name HG1) (resid 48 and name HB2) 2.045 2.045 1.023 weight 1.000 ! spec=HCH, no=2873, id=4465, vol=1.490000e+08
or (resid 48 and name HG1) (resid 48 and name HB1)
assign (resid 42 and name HG1) (resid 42 and name HG2) 2.040 2.040 1.02 weight 1.000 ! spec=HCH, no=2875, id=4467, vol=1.520000e+08
assign (resid 57 and name HG11) (resid 57 and name HG12) 2.039 2.039 1.02 weight 1.000 ! spec=HCH, no=2876, id=4468, vol=1.520000e+08
assign (resid 20 and name HB) (resid 20 and name HG22) 2.036 2.036 1.018 weight 1.000 ! spec=HCH, no=2879, id=4471, vol=1.530000e+08
or (resid 20 and name HB) (resid 20 and name HG21)
or (resid 20 and name HB) (resid 20 and name HG23)
assign (resid 109 and name HB) (resid 109 and name HG12) 2.034 2.034 1.017 weight 1.000 ! spec=HCH, no=2882, id=4474, vol=1.540000e+08
or (resid 109 and name HB) (resid 109 and name HG11)
or (resid 109 and name HB) (resid 109 and name HG13)
assign (resid 93 and name HB) (resid 93 and name HG21) 2.025 2.025 1.012 weight 1.000 ! spec=HCH, no=2886, id=4478, vol=1.590000e+08
or (resid 93 and name HB) (resid 93 and name HG22)
or (resid 93 and name HB) (resid 93 and name HG23)
assign (resid 41 and name HD22) (resid 41 and name HD12) 2.020 2.020 1.01 weight 1.000 ! spec=HCH, no=2887, id=4479, vol=1.610000e+08
or (resid 41 and name HD22) (resid 41 and name HD11)
or (resid 41 and name HD22) (resid 41 and name HD13)
or (resid 41 and name HD21) (resid 41 and name HD12)
or (resid 41 and name HD21) (resid 41 and name HD11)
or (resid 41 and name HD21) (resid 41 and name HD13)
or (resid 41 and name HD23) (resid 41 and name HD12)
or (resid 41 and name HD23) (resid 41 and name HD11)
or (resid 41 and name HD23) (resid 41 and name HD13)
assign (resid 124 and name HD1) (resid 124 and name HD2) 2.019 2.019 1.009 weight 1.000 ! spec=HCH, no=2889, id=4481, vol=1.610000e+08
assign (resid 20 and name HB) (resid 20 and name HG12) 2.018 2.018 1.009 weight 1.000 ! spec=HCH, no=2891, id=4483, vol=1.620000e+08
or (resid 20 and name HB) (resid 20 and name HG11)
or (resid 20 and name HB) (resid 20 and name HG13)
assign (resid 125 and name HB1) (resid 125 and name HB2) 2.016 2.016 1.008 weight 1.000 ! spec=HCH, no=2894, id=4486, vol=1.630000e+08
assign (resid 89 and name HA) (resid 89 and name HG12) 2.012 2.012 1.006 weight 1.000 ! spec=HCH, no=2899, id=4491, vol=1.650000e+08
or (resid 89 and name HA) (resid 89 and name HG11)
or (resid 89 and name HA) (resid 89 and name HG13)
assign (resid 9 and name HB2) (resid 9 and name HB1) 2.009 2.009 1.004 weight 1.000 ! spec=HCH, no=2901, id=4492, vol=1.660000e+08
assign (resid 54 and name HA) (resid 54 and name HD22) 2.009 2.009 1.004 weight 1.000 ! spec=HCH, no=2902, id=4493, vol=1.660000e+08
or (resid 54 and name HA) (resid 54 and name HD21)
or (resid 54 and name HA) (resid 54 and name HD23)
assign (resid 80 and name HG22) (resid 80 and name HD12) 2.005 2.005 1.003 weight 1.000 ! spec=HCH, no=2904, id=4495, vol=1.680000e+08
or (resid 80 and name HG22) (resid 80 and name HD11)
or (resid 80 and name HG22) (resid 80 and name HD13)
or (resid 80 and name HG21) (resid 80 and name HD12)
or (resid 80 and name HG21) (resid 80 and name HD11)
or (resid 80 and name HG21) (resid 80 and name HD13)
or (resid 80 and name HG23) (resid 80 and name HD12)
or (resid 80 and name HG23) (resid 80 and name HD11)
or (resid 80 and name HG23) (resid 80 and name HD13)
assign (resid 32 and name HB) (resid 32 and name HG12) 2.001 2.001 1.001 weight 1.000 ! spec=HCH, no=2905, id=4496, vol=1.700000e+08
or (resid 32 and name HB) (resid 32 and name HG11)
or (resid 32 and name HB) (resid 32 and name HG13)
assign (resid 104 and name HG11) (resid 104 and name HD12) 1.999 1.999 0.999 weight 1.000 ! spec=HCH, no=2907, id=4498, vol=1.710000e+08
or (resid 104 and name HG11) (resid 104 and name HD11)
or (resid 104 and name HG11) (resid 104 and name HD13)
assign (resid 32 and name HB) (resid 32 and name HG22) 1.999 1.999 0.999 weight 1.000 ! spec=HCH, no=2908, id=4499, vol=1.710000e+08
or (resid 32 and name HB) (resid 32 and name HG21)
or (resid 32 and name HB) (resid 32 and name HG23)
assign (resid 50 and name HG) (resid 50 and name HD12) 1.994 1.994 0.997 weight 1.000 ! spec=HCH, no=2910, id=4501, vol=1.740000e+08
or (resid 50 and name HG) (resid 50 and name HD11)
or (resid 50 and name HG) (resid 50 and name HD13)
assign (resid 5 and name HB1) (resid 5 and name HG2) 1.990 1.990 0.995 weight 1.000 ! spec=HCH, no=2913, id=4504, vol=1.760000e+08
or (resid 5 and name HB1) (resid 5 and name HG1)
assign (resid 116 and name HB2) (resid 116 and name HB1) 1.988 1.988 0.994 weight 1.000 ! spec=HCH, no=2915, id=4506, vol=1.770000e+08
assign (resid 85 and name HD12) (resid 85 and name HD22) 1.988 1.988 0.994 weight 1.000 ! spec=HCH, no=2916, id=4507, vol=1.770000e+08
or (resid 85 and name HD12) (resid 85 and name HD21)
or (resid 85 and name HD12) (resid 85 and name HD23)
or (resid 85 and name HD11) (resid 85 and name HD22)
or (resid 85 and name HD11) (resid 85 and name HD21)
or (resid 85 and name HD11) (resid 85 and name HD23)
or (resid 85 and name HD13) (resid 85 and name HD22)
or (resid 85 and name HD13) (resid 85 and name HD21)
or (resid 85 and name HD13) (resid 85 and name HD23)
assign (resid 53 and name HB1) (resid 57 and name HG12) 1.984 1.984 0.992 weight 1.000 ! spec=HCH, no=2918, id=4509, vol=1.790000e+08
assign (resid 66 and name HG22) (resid 66 and name HD12) 1.983 1.983 0.992 weight 1.000 ! spec=HCH, no=2919, id=4510, vol=1.790000e+08
or (resid 66 and name HG22) (resid 66 and name HD11)
or (resid 66 and name HG22) (resid 66 and name HD13)
or (resid 66 and name HG21) (resid 66 and name HD12)
or (resid 66 and name HG21) (resid 66 and name HD11)
or (resid 66 and name HG21) (resid 66 and name HD13)
or (resid 66 and name HG23) (resid 66 and name HD12)
or (resid 66 and name HG23) (resid 66 and name HD11)
or (resid 66 and name HG23) (resid 66 and name HD13)
assign (resid 104 and name HB) (resid 104 and name HG12) 1.974 1.974 0.987 weight 1.000 ! spec=HCH, no=2923, id=4514, vol=1.840000e+08
assign (resid 104 and name HB) (resid 104 and name HG22) 1.971 1.971 0.985 weight 1.000 ! spec=HCH, no=2924, id=4515, vol=1.860000e+08
or (resid 104 and name HB) (resid 104 and name HG21)
or (resid 104 and name HB) (resid 104 and name HG23)
assign (resid 5 and name HB2) (resid 5 and name HB1) 1.970 1.970 0.985 weight 1.000 ! spec=HCH, no=2925, id=4516, vol=1.870000e+08
assign (resid 104 and name HG12) (resid 104 and name HD12) 1.968 1.968 0.984 weight 1.000 ! spec=HCH, no=2926, id=4517, vol=1.880000e+08
or (resid 104 and name HG12) (resid 104 and name HD11)
or (resid 104 and name HG12) (resid 104 and name HD13)
assign (resid 60 and name HB1) (resid 60 and name HD2) 1.956 1.956 0.978 weight 1.000 ! spec=HCH, no=2930, id=4521, vol=1.950000e+08
or (resid 60 and name HB1) (resid 60 and name HD1)
assign (resid 48 and name HG2) (resid 48 and name HB2) 1.949 1.949 0.975 weight 1.000 ! spec=HCH, no=2933, id=4524, vol=1.990000e+08
or (resid 48 and name HG2) (resid 48 and name HB1)
assign (resid 50 and name HD22) (resid 50 and name HG) 1.946 1.946 0.973 weight 1.000 ! spec=HCH, no=2934, id=4525, vol=2.010000e+08
or (resid 50 and name HD21) (resid 50 and name HG)
or (resid 50 and name HD23) (resid 50 and name HG)
assign (resid 113 and name HB2) (resid 113 and name HB1) 1.944 1.944 0.972 weight 1.000 ! spec=HCH, no=2937, id=4528, vol=2.030000e+08
assign (resid 115 and name HB1) (resid 115 and name HB2) 1.929 1.929 0.965 weight 1.000 ! spec=HCH, no=2945, id=4536, vol=2.120000e+08
assign (resid 24 and name HB2) (resid 24 and name HB1) 1.926 1.926 0.964 weight 1.000 ! spec=HCH, no=2947, id=4538, vol=2.140000e+08
assign (resid 107 and name HB2) (resid 107 and name HB1) 1.918 1.918 0.96 weight 1.000 ! spec=HCH, no=2950, id=4541, vol=2.200000e+08
assign (resid 71 and name HG21) (resid 69 and name HG2) 1.915 1.915 0.959 weight 1.000 ! spec=HCH, no=2952, id=4543, vol=2.210000e+08
or (resid 71 and name HG21) (resid 69 and name HG1)
or (resid 71 and name HG22) (resid 69 and name HG2)
or (resid 71 and name HG22) (resid 69 and name HG1)
or (resid 71 and name HG23) (resid 69 and name HG2)
or (resid 71 and name HG23) (resid 69 and name HG1)
assign (resid 75 and name HG1) (resid 75 and name HG2) 1.912 1.912 0.957 weight 1.000 ! spec=HCH, no=2953, id=4544, vol=2.230000e+08
assign (resid 53 and name HD12) (resid 53 and name HD22) 1.897 1.897 0.95 weight 1.000 ! spec=HCH, no=2959, id=4550, vol=2.340000e+08
or (resid 53 and name HD12) (resid 53 and name HD21)
or (resid 53 and name HD12) (resid 53 and name HD23)
or (resid 53 and name HD11) (resid 53 and name HD22)
or (resid 53 and name HD11) (resid 53 and name HD21)
or (resid 53 and name HD11) (resid 53 and name HD23)
or (resid 53 and name HD13) (resid 53 and name HD22)
or (resid 53 and name HD13) (resid 53 and name HD21)
or (resid 53 and name HD13) (resid 53 and name HD23)
assign (resid 42 and name HE2) (resid 44 and name HG11) 1.885 1.885 0.944 weight 1.000 ! spec=HCH, no=2963, id=4554, vol=2.430000e+08
or (resid 42 and name HE1) (resid 44 and name HG11)
or (resid 42 and name HE3) (resid 44 and name HG11)
assign (resid 87 and name HB2) (resid 87 and name HB1) 1.877 1.877 0.94 weight 1.000 ! spec=HCH, no=2965, id=4556, vol=2.500000e+08
assign (resid 20 and name HG22) (resid 20 and name HG12) 1.845 1.845 0.925 weight 1.000 ! spec=HCH, no=2977, id=4568, vol=2.770000e+08
or (resid 20 and name HG22) (resid 20 and name HG11)
or (resid 20 and name HG22) (resid 20 and name HG13)
or (resid 20 and name HG21) (resid 20 and name HG12)
or (resid 20 and name HG21) (resid 20 and name HG11)
or (resid 20 and name HG21) (resid 20 and name HG13)
or (resid 20 and name HG23) (resid 20 and name HG12)
or (resid 20 and name HG23) (resid 20 and name HG11)
or (resid 20 and name HG23) (resid 20 and name HG13)
assign (resid 49 and name HB2) (resid 49 and name HG1) 1.834 1.834 0.92 weight 1.000 ! spec=HCH, no=2979, id=4570, vol=2.870000e+08
assign (resid 104 and name HD12) (resid 104 and name HG22) 1.831 1.831 0.919 weight 1.000 ! spec=HCH, no=2981, id=4572, vol=2.900000e+08
or (resid 104 and name HD12) (resid 104 and name HG21)
or (resid 104 and name HD12) (resid 104 and name HG23)
or (resid 104 and name HD11) (resid 104 and name HG22)
or (resid 104 and name HD11) (resid 104 and name HG21)
or (resid 104 and name HD11) (resid 104 and name HG23)
or (resid 104 and name HD13) (resid 104 and name HG22)
or (resid 104 and name HD13) (resid 104 and name HG21)
or (resid 104 and name HD13) (resid 104 and name HG23)
assign (resid 105 and name HB1) (resid 105 and name HB2) 1.819 1.819 0.914 weight 1.000 ! spec=HCH, no=2984, id=4575, vol=3.010000e+08
assign (resid 90 and name HG) (resid 90 and name HD22) 1.813 1.813 0.911 weight 1.000 ! spec=HCH, no=2986, id=4576, vol=3.070000e+08
or (resid 90 and name HG) (resid 90 and name HD21)
or (resid 90 and name HG) (resid 90 and name HD23)
or (resid 90 and name HG) (resid 90 and name HD12)
or (resid 90 and name HG) (resid 90 and name HD11)
or (resid 90 and name HG) (resid 90 and name HD13)
assign (resid 62 and name HB2) (resid 62 and name HB1) 1.794 1.794 0.902 weight 1.000 ! spec=HCH, no=2990, id=4580, vol=3.280000e+08
or (resid 62 and name HB2) (resid 62 and name HB1)
assign (resid 59 and name HG2) (resid 59 and name HG1) 1.789 1.789 0.9 weight 1.000 ! spec=HCH, no=2992, id=4582, vol=3.330000e+08
assign (resid 137 and name HB2) (resid 137 and name HB1) 1.772 1.772 0.893 weight 1.000 ! spec=HCH, no=2998, id=4588, vol=3.520000e+08
assign (resid 50 and name HD22) (resid 44 and name HD12) 1.760 1.760 0.887 weight 1.000 ! spec=HCH, no=3002, id=4592, vol=3.670000e+08
or (resid 50 and name HD22) (resid 44 and name HD11)
or (resid 50 and name HD22) (resid 44 and name HD13)
or (resid 50 and name HD21) (resid 44 and name HD12)
or (resid 50 and name HD21) (resid 44 and name HD11)
or (resid 50 and name HD21) (resid 44 and name HD13)
or (resid 50 and name HD23) (resid 44 and name HD12)
or (resid 50 and name HD23) (resid 44 and name HD11)
or (resid 50 and name HD23) (resid 44 and name HD13)
assign (resid 56 and name HB2) (resid 56 and name HB1) 1.735 1.735 0.876 weight 1.000 ! spec=HCH, no=3007, id=4597, vol=4.010000e+08
or (resid 56 and name HB2) (resid 56 and name HB1)
assign (resid 69 and name HG2) (resid 69 and name HG1) 1.729 1.729 0.874 weight 1.000 ! spec=HCH, no=3012, id=4602, vol=4.080000e+08
or (resid 69 and name HG2) (resid 69 and name HG1)
assign (resid 11 and name HG) (resid 11 and name HB2) 1.708 1.708 0.865 weight 1.000 ! spec=HCH, no=3022, id=4612, vol=4.400000e+08
or (resid 11 and name HG) (resid 11 and name HB1)
assign (resid 28 and name HB2) (resid 28 and name HB1) 1.706 1.706 0.864 weight 1.000 ! spec=HCH, no=3024, id=4614, vol=4.440000e+08
assign (resid 14 and name HB2) (resid 14 and name HB1) 1.646 1.646 0.839 weight 1.000 ! spec=HCH, no=3035, id=4625, vol=5.500000e+08
or (resid 14 and name HB2) (resid 14 and name HB1)
assign (resid 108 and name HB2) (resid 108 and name HB1) 1.604 1.604 0.822 weight 1.000 ! spec=HCH, no=3043, id=4633, vol=6.410000e+08
or (resid 108 and name HB2) (resid 108 and name HB1)
assign (resid 48 and name HG1) (resid 48 and name HG2) 1.590 1.590 0.816 weight 1.000 ! spec=HCH, no=3048, id=4638, vol=6.760000e+08
assign (resid 68 and name HD12) (resid 68 and name HD11) 1.569 1.569 0.808 weight 1.000 ! spec=HCH, no=3053, id=4643, vol=7.330000e+08
or (resid 68 and name HD12) (resid 68 and name HD13)
or (resid 68 and name HD12) (resid 68 and name HD11)
or (resid 68 and name HD11) (resid 68 and name HD13)
or (resid 68 and name HD12) (resid 68 and name HD13)
or (resid 68 and name HD11) (resid 68 and name HD13)
assign (resid 7 and name HD1) (resid 124 and name HE2) 1.559 1.559 0.804 weight 1.000 ! spec=HCH, no=3056, id=4646, vol=7.590000e+08
or (resid 7 and name HD1) (resid 124 and name HE1)
assign (resid 97 and name HG1) (resid 97 and name HG2) 1.558 1.558 0.803 weight 1.000 ! spec=HCH, no=3057, id=4647, vol=7.630000e+08
assign (resid 117 and name HB2) (resid 117 and name HB1) 1.540 1.540 0.796 weight 1.000 ! spec=HCH, no=3059, id=4649, vol=8.190000e+08
or (resid 117 and name HB2) (resid 117 and name HB1)
assign (resid 58 and name HB2) (resid 58 and name HB1) 1.507 1.507 0.784 weight 1.000 ! spec=HCH, no=3071, id=4661, vol=9.320000e+08
or (resid 58 and name HB2) (resid 58 and name HB1)
assign (resid 14 and name HD2) (resid 14 and name HD1) 1.492 1.492 0.778 weight 1.000 ! spec=HCH, no=3076, id=4666, vol=9.910000e+08
or (resid 14 and name HD2) (resid 14 and name HD1)
assign (resid 41 and name HD22) (resid 41 and name HD21) 1.492 1.492 0.778 weight 1.000 ! spec=HCH, no=3077, id=4667, vol=9.920000e+08
or (resid 41 and name HD22) (resid 41 and name HD23)
or (resid 41 and name HD22) (resid 41 and name HD21)
or (resid 41 and name HD21) (resid 41 and name HD23)
or (resid 41 and name HD22) (resid 41 and name HD23)
or (resid 41 and name HD21) (resid 41 and name HD23)
assign (resid 88 and name HB2) (resid 88 and name HB1) 1.491 1.491 0.778 weight 1.000 ! spec=HCH, no=3078, id=4668, vol=9.940000e+08
or (resid 88 and name HB2) (resid 88 and name HB1)
assign (resid 51 and name HB2) (resid 51 and name HB1) 1.491 1.491 0.778 weight 1.000 ! spec=HCH, no=3079, id=4669, vol=9.960000e+08
or (resid 51 and name HB2) (resid 51 and name HB1)
assign (resid 68 and name HD22) (resid 68 and name HD21) 1.485 1.485 0.776 weight 1.000 ! spec=HCH, no=3081, id=4671, vol=1.020000e+09
or (resid 68 and name HD22) (resid 68 and name HD23)
or (resid 68 and name HD22) (resid 68 and name HD21)
or (resid 68 and name HD21) (resid 68 and name HD23)
or (resid 68 and name HD22) (resid 68 and name HD23)
or (resid 68 and name HD21) (resid 68 and name HD23)
assign (resid 131 and name HB2) (resid 131 and name HB1) 1.475 1.475 0.772 weight 1.000 ! spec=HCH, no=3087, id=4677, vol=1.060000e+09
or (resid 131 and name HB2) (resid 131 and name HB1)
assign (resid 48 and name HB2) (resid 48 and name HB1) 1.456 1.456 0.765 weight 1.000 ! spec=HCH, no=3092, id=4682, vol=1.150000e+09
or (resid 48 and name HB2) (resid 48 and name HB1)
assign (resid 12 and name HB2) (resid 12 and name HB1) 1.427 1.427 0.755 weight 1.000 ! spec=HCH, no=3096, id=4686, vol=1.290000e+09
or (resid 12 and name HB2) (resid 12 and name HB1)
assign (resid 51 and name HD2) (resid 51 and name HD1) 1.417 1.417 0.751 weight 1.000 ! spec=HCH, no=3099, id=4689, vol=1.350000e+09
assign (resid 92 and name HD12) (resid 92 and name HD11) 1.415 1.415 0.75 weight 1.000 ! spec=HCH, no=3101, id=4691, vol=1.360000e+09
or (resid 92 and name HD12) (resid 92 and name HD13)
or (resid 92 and name HD12) (resid 92 and name HD11)
or (resid 92 and name HD11) (resid 92 and name HD13)
or (resid 92 and name HD12) (resid 92 and name HD13)
or (resid 92 and name HD11) (resid 92 and name HD13)
assign (resid 60 and name HD2) (resid 60 and name HD1) 1.414 1.414 0.75 weight 1.000 ! spec=HCH, no=3102, id=4692, vol=1.360000e+09
or (resid 60 and name HD2) (resid 60 and name HD1)
assign (resid 47 and name HG2) (resid 47 and name HG1) 1.412 1.412 0.749 weight 1.000 ! spec=HCH, no=3103, id=4693, vol=1.380000e+09
or (resid 47 and name HG2) (resid 47 and name HG1)
assign (resid 85 and name HD22) (resid 85 and name HD21) 1.393 1.393 0.743 weight 1.000 ! spec=HCH, no=3108, id=4698, vol=1.490000e+09
or (resid 85 and name HD22) (resid 85 and name HD23)
or (resid 85 and name HD22) (resid 85 and name HD21)
or (resid 85 and name HD21) (resid 85 and name HD23)
or (resid 85 and name HD22) (resid 85 and name HD23)
or (resid 85 and name HD21) (resid 85 and name HD23)
assign (resid 66 and name HG22) (resid 66 and name HG21) 1.393 1.393 0.743 weight 1.000 ! spec=HCH, no=3109, id=4699, vol=1.490000e+09
or (resid 66 and name HG22) (resid 66 and name HG23)
or (resid 66 and name HG22) (resid 66 and name HG21)
or (resid 66 and name HG21) (resid 66 and name HG23)
or (resid 66 and name HG22) (resid 66 and name HG23)
or (resid 66 and name HG21) (resid 66 and name HG23)
assign (resid 121 and name HD12) (resid 121 and name HD11) 1.373 1.373 0.736 weight 1.000 ! spec=HCH, no=3113, id=4703, vol=1.630000e+09
or (resid 121 and name HD12) (resid 121 and name HD13)
or (resid 121 and name HD12) (resid 121 and name HD11)
or (resid 121 and name HD11) (resid 121 and name HD13)
or (resid 121 and name HD12) (resid 121 and name HD13)
or (resid 121 and name HD11) (resid 121 and name HD13)
assign (resid 121 and name HG22) (resid 121 and name HG21) 1.370 1.370 0.735 weight 1.000 ! spec=HCH, no=3114, id=4704, vol=1.650000e+09
or (resid 121 and name HG22) (resid 121 and name HG23)
or (resid 121 and name HG22) (resid 121 and name HG21)
or (resid 121 and name HG21) (resid 121 and name HG23)
or (resid 121 and name HG22) (resid 121 and name HG23)
or (resid 121 and name HG21) (resid 121 and name HG23)
assign (resid 124 and name HE2) (resid 124 and name HE1) 1.369 1.369 0.734 weight 1.000 ! spec=HCH, no=3115, id=4705, vol=1.660000e+09
or (resid 124 and name HE2) (resid 124 and name HE1)
assign (resid 39 and name HB2) (resid 39 and name HB1) 1.366 1.366 0.733 weight 1.000 ! spec=HCH, no=3116, id=4706, vol=1.680000e+09
or (resid 39 and name HB2) (resid 39 and name HB3)
or (resid 39 and name HB2) (resid 39 and name HB1)
or (resid 39 and name HB1) (resid 39 and name HB3)
or (resid 39 and name HB2) (resid 39 and name HB3)
or (resid 39 and name HB1) (resid 39 and name HB3)
assign (resid 134 and name HB2) (resid 134 and name HB1) 1.345 1.345 0.726 weight 1.000 ! spec=HCH, no=3119, id=4709, vol=1.840000e+09
or (resid 134 and name HB2) (resid 134 and name HB1)
assign (resid 37 and name HE2) (resid 37 and name HE1) 1.326 1.326 0.72 weight 1.000 ! spec=HCH, no=3122, id=4712, vol=2.000000e+09
or (resid 37 and name HE2) (resid 37 and name HE1)
assign (resid 80 and name HG22) (resid 80 and name HG21) 1.325 1.325 0.719 weight 1.000 ! spec=HCH, no=3123, id=4713, vol=2.020000e+09
or (resid 80 and name HG22) (resid 80 and name HG23)
or (resid 80 and name HG22) (resid 80 and name HG21)
or (resid 80 and name HG21) (resid 80 and name HG23)
or (resid 80 and name HG22) (resid 80 and name HG23)
or (resid 80 and name HG21) (resid 80 and name HG23)
assign (resid 41 and name HD12) (resid 41 and name HD11) 1.313 1.313 0.716 weight 1.000 ! spec=HCH, no=3125, id=4715, vol=2.130000e+09
or (resid 41 and name HD12) (resid 41 and name HD13)
or (resid 41 and name HD12) (resid 41 and name HD11)
or (resid 41 and name HD11) (resid 41 and name HD13)
or (resid 41 and name HD12) (resid 41 and name HD13)
or (resid 41 and name HD11) (resid 41 and name HD13)
assign (resid 57 and name HG22) (resid 57 and name HG21) 1.299 1.299 0.711 weight 1.000 ! spec=HCH, no=3126, id=4716, vol=2.270000e+09
or (resid 57 and name HG22) (resid 57 and name HG23)
or (resid 57 and name HG22) (resid 57 and name HG21)
or (resid 57 and name HG21) (resid 57 and name HG23)
or (resid 57 and name HG22) (resid 57 and name HG23)
or (resid 57 and name HG21) (resid 57 and name HG23)
assign (resid 96 and name HG21) (resid 96 and name HG22) 1.297 1.297 0.71 weight 1.000 ! spec=HCH, no=3127, id=4717, vol=2.300000e+09
or (resid 96 and name HG21) (resid 96 and name HG23)
or (resid 96 and name HG21) (resid 96 and name HG22)
or (resid 96 and name HG22) (resid 96 and name HG23)
or (resid 96 and name HG21) (resid 96 and name HG23)
or (resid 96 and name HG22) (resid 96 and name HG23)
assign (resid 26 and name HG21) (resid 26 and name HG22) 1.285 1.285 0.707 weight 1.000 ! spec=HCH, no=3128, id=4718, vol=2.420000e+09
or (resid 26 and name HG21) (resid 26 and name HG23)
or (resid 26 and name HG21) (resid 26 and name HG22)
or (resid 26 and name HG22) (resid 26 and name HG23)
or (resid 26 and name HG21) (resid 26 and name HG23)
or (resid 26 and name HG22) (resid 26 and name HG23)
assign (resid 80 and name HD12) (resid 80 and name HD11) 1.278 1.278 0.704 weight 1.000 ! spec=HCH, no=3129, id=4719, vol=2.510000e+09
or (resid 80 and name HD12) (resid 80 and name HD13)
or (resid 80 and name HD12) (resid 80 and name HD11)
or (resid 80 and name HD11) (resid 80 and name HD13)
or (resid 80 and name HD12) (resid 80 and name HD13)
or (resid 80 and name HD11) (resid 80 and name HD13)
assign (resid 104 and name HD12) (resid 104 and name HD11) 1.272 1.272 0.702 weight 1.000 ! spec=HCH, no=3130, id=4720, vol=2.580000e+09
or (resid 104 and name HD12) (resid 104 and name HD13)
or (resid 104 and name HD12) (resid 104 and name HD11)
or (resid 104 and name HD11) (resid 104 and name HD13)
or (resid 104 and name HD12) (resid 104 and name HD13)
or (resid 104 and name HD11) (resid 104 and name HD13)
assign (resid 129 and name HG2) (resid 129 and name HG1) 1.267 1.267 0.701 weight 1.000 ! spec=HCH, no=3132, id=4722, vol=2.640000e+09
or (resid 129 and name HG2) (resid 129 and name HG1)
assign (resid 57 and name HD12) (resid 57 and name HD11) 1.263 1.263 0.699 weight 1.000 ! spec=HCH, no=3133, id=4723, vol=2.700000e+09
or (resid 57 and name HD12) (resid 57 and name HD13)
or (resid 57 and name HD12) (resid 57 and name HD11)
or (resid 57 and name HD11) (resid 57 and name HD13)
or (resid 57 and name HD12) (resid 57 and name HD13)
or (resid 57 and name HD11) (resid 57 and name HD13)
assign (resid 109 and name HG12) (resid 109 and name HG11) 1.262 1.262 0.699 weight 1.000 ! spec=HCH, no=3134, id=4724, vol=2.710000e+09
or (resid 109 and name HG12) (resid 109 and name HG13)
or (resid 109 and name HG12) (resid 109 and name HG11)
or (resid 109 and name HG11) (resid 109 and name HG13)
or (resid 109 and name HG12) (resid 109 and name HG13)
or (resid 109 and name HG11) (resid 109 and name HG13)
assign (resid 92 and name HG22) (resid 92 and name HG21) 1.258 1.258 0.698 weight 1.000 ! spec=HCH, no=3135, id=4725, vol=2.750000e+09
or (resid 92 and name HG22) (resid 92 and name HG23)
or (resid 92 and name HG22) (resid 92 and name HG21)
or (resid 92 and name HG21) (resid 92 and name HG23)
or (resid 92 and name HG22) (resid 92 and name HG23)
or (resid 92 and name HG21) (resid 92 and name HG23)
assign (resid 20 and name HG22) (resid 20 and name HG21) 1.256 1.256 0.697 weight 1.000 ! spec=HCH, no=3136, id=4726, vol=2.780000e+09
or (resid 20 and name HG22) (resid 20 and name HG23)
or (resid 20 and name HG22) (resid 20 and name HG21)
or (resid 20 and name HG21) (resid 20 and name HG23)
or (resid 20 and name HG22) (resid 20 and name HG23)
or (resid 20 and name HG21) (resid 20 and name HG23)
assign (resid 110 and name HG21) (resid 110 and name HG22) 1.235 1.235 0.691 weight 1.000 ! spec=HCH, no=3137, id=4727, vol=3.080000e+09
or (resid 110 and name HG21) (resid 110 and name HG23)
or (resid 110 and name HG21) (resid 110 and name HG22)
or (resid 110 and name HG22) (resid 110 and name HG23)
or (resid 110 and name HG21) (resid 110 and name HG23)
or (resid 110 and name HG22) (resid 110 and name HG23)
assign (resid 40 and name HG21) (resid 40 and name HG22) 1.223 1.223 0.687 weight 1.000 ! spec=HCH, no=3139, id=4729, vol=3.270000e+09
or (resid 40 and name HG21) (resid 40 and name HG23)
or (resid 40 and name HG21) (resid 40 and name HG22)
or (resid 40 and name HG22) (resid 40 and name HG23)
or (resid 40 and name HG21) (resid 40 and name HG23)
or (resid 40 and name HG22) (resid 40 and name HG23)
assign (resid 53 and name HD12) (resid 53 and name HD11) 1.206 1.206 0.682 weight 1.000 ! spec=HCH, no=3142, id=4732, vol=3.550000e+09
or (resid 53 and name HD12) (resid 53 and name HD13)
or (resid 53 and name HD12) (resid 53 and name HD11)
or (resid 53 and name HD11) (resid 53 and name HD13)
or (resid 53 and name HD12) (resid 53 and name HD13)
or (resid 53 and name HD11) (resid 53 and name HD13)
assign (resid 104 and name HG22) (resid 104 and name HG21) 1.198 1.198 0.68 weight 1.000 ! spec=HCH, no=3143, id=4733, vol=3.690000e+09
or (resid 104 and name HG22) (resid 104 and name HG23)
or (resid 104 and name HG22) (resid 104 and name HG21)
or (resid 104 and name HG21) (resid 104 and name HG23)
or (resid 104 and name HG22) (resid 104 and name HG23)
or (resid 104 and name HG21) (resid 104 and name HG23)
assign (resid 53 and name HD22) (resid 53 and name HD21) 1.180 1.180 0.674 weight 1.000 ! spec=HCH, no=3145, id=4735, vol=4.040000e+09
or (resid 53 and name HD22) (resid 53 and name HD23)
or (resid 53 and name HD22) (resid 53 and name HD21)
or (resid 53 and name HD21) (resid 53 and name HD23)
or (resid 53 and name HD22) (resid 53 and name HD23)
or (resid 53 and name HD21) (resid 53 and name HD23)
assign (resid 126 and name HD12) (resid 126 and name HD11) 1.180 1.180 0.674 weight 1.000 ! spec=HCH, no=3146, id=4736, vol=4.050000e+09
or (resid 126 and name HD12) (resid 126 and name HD13)
or (resid 126 and name HD12) (resid 126 and name HD11)
or (resid 126 and name HD11) (resid 126 and name HD13)
or (resid 126 and name HD12) (resid 126 and name HD13)
or (resid 126 and name HD11) (resid 126 and name HD13)
assign (resid 126 and name HD22) (resid 126 and name HD21) 1.175 1.175 0.673 weight 1.000 ! spec=HCH, no=3147, id=4737, vol=4.140000e+09
or (resid 126 and name HD22) (resid 126 and name HD23)
or (resid 126 and name HD22) (resid 126 and name HD21)
or (resid 126 and name HD21) (resid 126 and name HD23)
or (resid 126 and name HD22) (resid 126 and name HD23)
or (resid 126 and name HD21) (resid 126 and name HD23)
assign (resid 32 and name HG12) (resid 32 and name HG11) 1.128 1.128 0.659 weight 1.000 ! spec=HCH, no=3149, id=4739, vol=5.300000e+09
or (resid 32 and name HG12) (resid 32 and name HG13)
or (resid 32 and name HG12) (resid 32 and name HG11)
or (resid 32 and name HG11) (resid 32 and name HG13)
or (resid 32 and name HG12) (resid 32 and name HG13)
or (resid 32 and name HG11) (resid 32 and name HG13)
assign (resid 89 and name HG22) (resid 89 and name HG21) 1.118 1.118 0.656 weight 1.000 ! spec=HCH, no=3150, id=4740, vol=5.610000e+09
or (resid 89 and name HG22) (resid 89 and name HG23)
or (resid 89 and name HG22) (resid 89 and name HG21)
or (resid 89 and name HG21) (resid 89 and name HG23)
or (resid 89 and name HG22) (resid 89 and name HG23)
or (resid 89 and name HG21) (resid 89 and name HG23)
assign (resid 84 and name HG21) (resid 84 and name HG22) 1.117 1.117 0.656 weight 1.000 ! spec=HCH, no=3151, id=4741, vol=5.610000e+09
or (resid 84 and name HG21) (resid 84 and name HG23)
or (resid 84 and name HG21) (resid 84 and name HG22)
or (resid 84 and name HG22) (resid 84 and name HG23)
or (resid 84 and name HG21) (resid 84 and name HG23)
or (resid 84 and name HG22) (resid 84 and name HG23)
assign (resid 42 and name HE2) (resid 42 and name HE1) 1.110 1.110 0.654 weight 1.000 ! spec=HCH, no=3153, id=4743, vol=5.830000e+09
or (resid 42 and name HE2) (resid 42 and name HE3)
or (resid 42 and name HE2) (resid 42 and name HE1)
or (resid 42 and name HE1) (resid 42 and name HE3)
or (resid 42 and name HE2) (resid 42 and name HE3)
or (resid 42 and name HE1) (resid 42 and name HE3)
assign (resid 23 and name HG22) (resid 23 and name HG21) 1.110 1.110 0.654 weight 1.000 ! spec=HCH, no=3154, id=4744, vol=5.840000e+09
or (resid 23 and name HG22) (resid 23 and name HG23)
or (resid 23 and name HG22) (resid 23 and name HG21)
or (resid 23 and name HG21) (resid 23 and name HG23)
or (resid 23 and name HG22) (resid 23 and name HG23)
or (resid 23 and name HG21) (resid 23 and name HG23)
assign (resid 135 and name HG22) (resid 135 and name HG21) 1.095 1.095 0.65 weight 1.000 ! spec=HCH, no=3156, id=4746, vol=6.320000e+09
or (resid 135 and name HG22) (resid 135 and name HG23)
or (resid 135 and name HG22) (resid 135 and name HG21)
or (resid 135 and name HG21) (resid 135 and name HG23)
or (resid 135 and name HG22) (resid 135 and name HG23)
or (resid 135 and name HG21) (resid 135 and name HG23)
assign (resid 93 and name HG21) (resid 93 and name HG22) 1.080 1.080 0.646 weight 1.000 ! spec=HCH, no=3157, id=4747, vol=6.870000e+09
or (resid 93 and name HG21) (resid 93 and name HG23)
or (resid 93 and name HG21) (resid 93 and name HG22)
or (resid 93 and name HG22) (resid 93 and name HG23)
or (resid 93 and name HG21) (resid 93 and name HG23)
or (resid 93 and name HG22) (resid 93 and name HG23)
assign (resid 135 and name HG12) (resid 135 and name HG11) 1.064 1.064 0.642 weight 1.000 ! spec=HCH, no=3161, id=4751, vol=7.510000e+09
or (resid 135 and name HG12) (resid 135 and name HG13)
or (resid 135 and name HG12) (resid 135 and name HG11)
or (resid 135 and name HG11) (resid 135 and name HG13)
or (resid 135 and name HG12) (resid 135 and name HG13)
or (resid 135 and name HG11) (resid 135 and name HG13)
assign (resid 4 and name HD22) (resid 4 and name HD21) 1.043 1.043 0.636 weight 1.000 ! spec=HCH, no=3162, id=4752, vol=8.500000e+09
or (resid 4 and name HD22) (resid 4 and name HD23)
or (resid 4 and name HD22) (resid 4 and name HD21)
or (resid 4 and name HD21) (resid 4 and name HD23)
or (resid 4 and name HD22) (resid 4 and name HD23)
or (resid 4 and name HD21) (resid 4 and name HD23)
assign (resid 10 and name HD1) (resid 9 and name HB1) 3.336 3.336 1.891 weight 1.000 ! spec=HCHaro, no=8, id=4766, vol=6.080000e+06
assign (resid 70 and name HE1) (resid 76 and name HN) 3.336 3.336 1.891 weight 1.000 ! spec=HCHaro, no=9, id=4767, vol=6.080000e+06
or (resid 70 and name HE2) (resid 76 and name HN)
assign (resid 18 and name HE1) (resid 18 and name HB1) 3.335 3.335 1.89 weight 1.000 ! spec=HCHaro, no=10, id=4768, vol=6.090000e+06
or (resid 18 and name HE2) (resid 18 and name HB1)
assign (resid 79 and name HD1) (resid 78 and name HG2) 3.332 3.332 1.888 weight 1.000 ! spec=HCHaro, no=11, id=4769, vol=6.120000e+06
assign (resid 18 and name HE1) (resid 18 and name HB2) 3.326 3.326 1.883 weight 1.000 ! spec=HCHaro, no=16, id=4774, vol=6.180000e+06
or (resid 18 and name HE2) (resid 18 and name HB2)
assign (resid 18 and name HE1) (resid 52 and name HD1) 3.326 3.326 1.882 weight 1.000 ! spec=HCHaro, no=17, id=4775, vol=6.190000e+06
or (resid 18 and name HE1) (resid 52 and name HD2)
or (resid 18 and name HE2) (resid 52 and name HD1)
or (resid 18 and name HE2) (resid 52 and name HD2)
assign (resid 25 and name HD22) (resid 30 and name HA1) 3.323 3.323 1.88 weight 1.000 ! spec=HCHaro, no=21, id=4779, vol=6.220000e+06
assign (resid 127 and name HE1) (resid 126 and name HB1) 3.321 3.321 1.879 weight 1.000 ! spec=HCHaro, no=23, id=4781, vol=6.240000e+06
or (resid 127 and name HE2) (resid 126 and name HB1)
assign (resid 13 and name HE1) (resid 14 and name HG1) 3.321 3.321 1.879 weight 1.000 ! spec=HCHaro, no=24, id=4782, vol=6.240000e+06
assign (resid 79 and name HE3) (resid 66 and name HB) 3.319 3.319 1.877 weight 1.000 ! spec=HCHaro, no=27, id=4784, vol=6.260000e+06
assign (resid 79 and name HZ2) (resid 68 and name HD12) 3.318 3.318 1.877 weight 1.000 ! spec=HCHaro, no=28, id=4785, vol=6.270000e+06
or (resid 79 and name HZ2) (resid 68 and name HD11)
or (resid 79 and name HZ2) (resid 68 and name HD13)
assign (resid 137 and name HD1) (resid 137 and name HB1) 3.312 3.312 1.871 weight 1.000 ! spec=HCHaro, no=30, id=4787, vol=6.340000e+06
or (resid 137 and name HD2) (resid 137 and name HB1)
assign (resid 27 and name HZ2) (resid 67 and name HA2) 3.299 3.299 1.861 weight 1.000 ! spec=HCHaro, no=40, id=4797, vol=6.490000e+06
assign (resid 30 and name HN) (resid 25 and name HD22) 3.291 3.291 1.854 weight 1.000 ! spec=HCHaro, no=44, id=4801, vol=6.590000e+06
assign (resid 65 and name HD1) (resid 27 and name HA) 3.284 3.284 1.848 weight 1.000 ! spec=HCHaro, no=46, id=4803, vol=6.680000e+06
assign (resid 70 and name HE1) (resid 72 and name HG) 3.280 3.280 1.844 weight 1.000 ! spec=HCHaro, no=48, id=4805, vol=6.730000e+06
or (resid 70 and name HE2) (resid 72 and name HG)
assign (resid 77 and name HD1) (resid 68 and name HD22) 3.278 3.278 1.843 weight 1.000 ! spec=HCHaro, no=50, id=4806, vol=6.750000e+06
or (resid 77 and name HD1) (resid 68 and name HD21)
or (resid 77 and name HD1) (resid 68 and name HD23)
assign (resid 102 and name HB2) (resid 111 and name HE1) 3.274 3.274 1.84 weight 1.000 ! spec=HCHaro, no=52, id=4808, vol=6.800000e+06
or (resid 102 and name HB2) (resid 111 and name HE2)
or (resid 102 and name HB1) (resid 111 and name HE1)
or (resid 102 and name HB1) (resid 111 and name HE2)
or (resid 102 and name HB3) (resid 111 and name HE1)
or (resid 102 and name HB3) (resid 111 and name HE2)
assign (resid 79 and name HZ2) (resid 85 and name HG) 3.272 3.272 1.838 weight 1.000 ! spec=HCHaro, no=53, id=4809, vol=6.820000e+06
assign (resid 61 and name HE1) (resid 60 and name HG2) 3.270 3.270 1.837 weight 1.000 ! spec=HCHaro, no=54, id=4810, vol=6.850000e+06
or (resid 61 and name HE1) (resid 60 and name HG1)
or (resid 61 and name HE2) (resid 60 and name HG2)
or (resid 61 and name HE2) (resid 60 and name HG1)
assign (resid 120 and name HE3) (resid 24 and name HA) 3.268 3.268 1.835 weight 1.000 ! spec=HCHaro, no=55, id=4811, vol=6.870000e+06
assign (resid 18 and name HD1) (resid 123 and name HG1) 3.262 3.262 1.83 weight 1.000 ! spec=HCHaro, no=59, id=4815, vol=6.950000e+06
or (resid 18 and name HD2) (resid 123 and name HG1)
assign (resid 64 and name HD1) (resid 64 and name HB1) 3.260 3.260 1.828 weight 1.000 ! spec=HCHaro, no=60, id=4816, vol=6.980000e+06
or (resid 64 and name HD2) (resid 64 and name HB1)
assign (resid 79 and name HD1) (resid 84 and name HA) 3.258 3.258 1.827 weight 1.000 ! spec=HCHaro, no=61, id=4817, vol=7.000000e+06
assign (resid 10 and name HD1) (resid 7 and name HG2) 3.251 3.251 1.821 weight 1.000 ! spec=HCHaro, no=66, id=4822, vol=7.090000e+06
assign (resid 13 and name HD2) (resid 52 and name HD1) 3.251 3.251 1.821 weight 1.000 ! spec=HCHaro, no=68, id=4824, vol=7.090000e+06
or (resid 13 and name HD2) (resid 52 and name HD2)
assign (resid 119 and name HD1) (resid 64 and name HE1) 3.250 3.250 1.821 weight 1.000 ! spec=HCHaro, no=69, id=4825, vol=7.100000e+06
or (resid 119 and name HD1) (resid 64 and name HE2)
assign (resid 111 and name HD1) (resid 92 and name HG12) 3.247 3.247 1.818 weight 1.000 ! spec=HCHaro, no=71, id=4827, vol=7.150000e+06
or (resid 111 and name HD2) (resid 92 and name HG12)
assign (resid 77 and name HH2) (resid 111 and name HD1) 3.247 3.247 1.818 weight 1.000 ! spec=HCHaro, no=72, id=4828, vol=7.150000e+06
or (resid 77 and name HH2) (resid 111 and name HD2)
assign (resid 65 and name HH2) (resid 112 and name HB1) 3.246 3.246 1.817 weight 1.000 ! spec=HCHaro, no=73, id=4829, vol=7.160000e+06
assign (resid 65 and name HD1) (resid 120 and name HA) 3.244 3.244 1.816 weight 1.000 ! spec=HCHaro, no=74, id=4830, vol=7.180000e+06
assign (resid 70 and name HE1) (resid 75 and name HA) 3.238 3.238 1.81 weight 1.000 ! spec=HCHaro, no=77, id=4833, vol=7.270000e+06
or (resid 70 and name HE2) (resid 75 and name HA)
assign (resid 77 and name HD1) (resid 76 and name HA) 3.237 3.237 1.81 weight 1.000 ! spec=HCHaro, no=78, id=4834, vol=7.280000e+06
assign (resid 77 and name HD1) (resid 92 and name HG22) 3.237 3.237 1.81 weight 1.000 ! spec=HCHaro, no=79, id=4835, vol=7.280000e+06
or (resid 77 and name HD1) (resid 92 and name HG21)
or (resid 77 and name HD1) (resid 92 and name HG23)
assign (resid 70 and name HE1) (resid 75 and name HB2) 3.234 3.234 1.807 weight 1.000 ! spec=HCHaro, no=81, id=4837, vol=7.320000e+06
or (resid 70 and name HE2) (resid 75 and name HB2)
assign (resid 64 and name HD1) (resid 121 and name HD12) 3.233 3.233 1.807 weight 1.000 ! spec=HCHaro, no=82, id=4838, vol=7.330000e+06
or (resid 64 and name HD1) (resid 121 and name HD11)
or (resid 64 and name HD1) (resid 121 and name HD13)
or (resid 64 and name HD2) (resid 121 and name HD12)
or (resid 64 and name HD2) (resid 121 and name HD11)
or (resid 64 and name HD2) (resid 121 and name HD13)
assign (resid 64 and name HB2) (resid 64 and name HE1) 3.232 3.232 1.806 weight 1.000 ! spec=HCHaro, no=84, id=4840, vol=7.350000e+06
or (resid 64 and name HB2) (resid 64 and name HE2)
assign (resid 128 and name HD2) (resid 128 and name HA) 3.221 3.221 1.797 weight 1.000 ! spec=HCHaro, no=86, id=4842, vol=7.500000e+06
assign (resid 44 and name HN) (resid 79 and name HZ3) 3.219 3.219 1.795 weight 1.000 ! spec=HCHaro, no=88, id=4844, vol=7.530000e+06
assign (resid 27 and name HZ3) (resid 28 and name HB2) 3.210 3.210 1.788 weight 1.000 ! spec=HCHaro, no=92, id=4848, vol=7.650000e+06
assign (resid 79 and name HD1) (resid 78 and name HA) 3.204 3.204 1.783 weight 1.000 ! spec=HCHaro, no=95, id=4851, vol=7.740000e+06
assign (resid 111 and name HE1) (resid 92 and name HG22) 3.201 3.201 1.781 weight 1.000 ! spec=HCHaro, no=96, id=4852, vol=7.780000e+06
or (resid 111 and name HE1) (resid 92 and name HG21)
or (resid 111 and name HE1) (resid 92 and name HG23)
or (resid 111 and name HE2) (resid 92 and name HG22)
or (resid 111 and name HE2) (resid 92 and name HG21)
or (resid 111 and name HE2) (resid 92 and name HG23)
assign (resid 18 and name HZ) (resid 16 and name HD1) 3.200 3.200 1.78 weight 1.000 ! spec=HCHaro, no=101, id=4857, vol=7.800000e+06
assign (resid 127 and name HD1) (resid 126 and name HB1) 3.199 3.199 1.779 weight 1.000 ! spec=HCHaro, no=103, id=4859, vol=7.810000e+06
or (resid 127 and name HD2) (resid 126 and name HB1)
assign (resid 70 and name HD1) (resid 100 and name HB1) 3.191 3.191 1.773 weight 1.000 ! spec=HCHaro, no=106, id=4862, vol=7.930000e+06
or (resid 70 and name HD2) (resid 100 and name HB1)
assign (resid 127 and name HD1) (resid 4 and name HN) 3.183 3.183 1.767 weight 1.000 ! spec=HCHaro, no=111, id=4867, vol=8.050000e+06
or (resid 127 and name HD2) (resid 4 and name HN)
assign (resid 127 and name HE1) (resid 126 and name HD22) 3.178 3.178 1.762 weight 1.000 ! spec=HCHaro, no=113, id=4869, vol=8.130000e+06
or (resid 127 and name HE1) (resid 126 and name HD21)
or (resid 127 and name HE1) (resid 126 and name HD23)
or (resid 127 and name HE2) (resid 126 and name HD22)
or (resid 127 and name HE2) (resid 126 and name HD21)
or (resid 127 and name HE2) (resid 126 and name HD23)
assign (resid 41 and name HD22) (resid 27 and name HZ2) 3.175 3.175 1.76 weight 1.000 ! spec=HCHaro, no=114, id=4870, vol=8.170000e+06
or (resid 41 and name HD21) (resid 27 and name HZ2)
or (resid 41 and name HD23) (resid 27 and name HZ2)
assign (resid 70 and name HE1) (resid 75 and name HB1) 3.170 3.170 1.756 weight 1.000 ! spec=HCHaro, no=117, id=4873, vol=8.250000e+06
or (resid 70 and name HE2) (resid 75 and name HB1)
assign (resid 120 and name HD1) (resid 120 and name HB2) 3.169 3.169 1.755 weight 1.000 ! spec=HCHaro, no=118, id=4874, vol=8.270000e+06
assign (resid 121 and name HN) (resid 120 and name HD1) 3.162 3.162 1.75 weight 1.000 ! spec=HCHaro, no=122, id=4878, vol=8.380000e+06
assign (resid 127 and name HE1) (resid 4 and name HG) 3.160 3.160 1.748 weight 1.000 ! spec=HCHaro, no=123, id=4879, vol=8.410000e+06
or (resid 127 and name HE2) (resid 4 and name HG)
assign (resid 77 and name HE3) (resid 77 and name HB1) 3.157 3.157 1.746 weight 1.000 ! spec=HCHaro, no=124, id=4880, vol=8.450000e+06
assign (resid 27 and name HE3) (resid 28 and name HN) 3.145 3.145 1.737 weight 1.000 ! spec=HCHaro, no=128, id=4883, vol=8.650000e+06
assign (resid 127 and name HE1) (resid 15 and name HA) 3.132 3.132 1.726 weight 1.000 ! spec=HCHaro, no=131, id=4886, vol=8.870000e+06
or (resid 127 and name HE2) (resid 15 and name HA)
assign (resid 65 and name HA) (resid 27 and name HD1) 3.125 3.125 1.721 weight 1.000 ! spec=HCHaro, no=132, id=4887, vol=8.990000e+06
assign (resid 79 and name HH2) (resid 43 and name HA) 3.124 3.124 1.72 weight 1.000 ! spec=HCHaro, no=133, id=4888, vol=9.010000e+06
assign (resid 76 and name HD21) (resid 77 and name HD1) 3.120 3.120 1.717 weight 1.000 ! spec=HCHaro, no=134, id=4889, vol=9.080000e+06
assign (resid 127 and name HE1) (resid 3 and name HA) 3.119 3.119 1.716 weight 1.000 ! spec=HCHaro, no=135, id=4890, vol=9.090000e+06
or (resid 127 and name HE2) (resid 3 and name HA)
assign (resid 61 and name HD1) (resid 60 and name HB1) 3.109 3.109 1.708 weight 1.000 ! spec=HCHaro, no=138, id=4893, vol=9.270000e+06
or (resid 61 and name HD2) (resid 60 and name HB1)
assign (resid 10 and name HA) (resid 10 and name HD1) 3.106 3.106 1.706 weight 1.000 ! spec=HCHaro, no=140, id=4895, vol=9.320000e+06
assign (resid 44 and name HG12) (resid 79 and name HZ3) 3.106 3.106 1.706 weight 1.000 ! spec=HCHaro, no=141, id=4896, vol=9.320000e+06
assign (resid 13 and name HE1) (resid 14 and name HD2) 3.104 3.104 1.704 weight 1.000 ! spec=HCHaro, no=142, id=4897, vol=9.370000e+06
or (resid 13 and name HE1) (resid 14 and name HD1)
assign (resid 127 and name HD1) (resid 126 and name HB2) 3.101 3.101 1.702 weight 1.000 ! spec=HCHaro, no=144, id=4899, vol=9.410000e+06
or (resid 127 and name HD2) (resid 126 and name HB2)
assign (resid 111 and name HB1) (resid 77 and name HH2) 3.094 3.094 1.697 weight 1.000 ! spec=HCHaro, no=150, id=4905, vol=9.540000e+06
assign (resid 61 and name HE1) (resid 61 and name HA) 3.092 3.092 1.695 weight 1.000 ! spec=HCHaro, no=151, id=4906, vol=9.590000e+06
or (resid 61 and name HE2) (resid 61 and name HA)
assign (resid 66 and name HN) (resid 27 and name HD1) 3.088 3.088 1.692 weight 1.000 ! spec=HCHaro, no=154, id=4909, vol=9.650000e+06
assign (resid 85 and name HD22) (resid 77 and name HD1) 3.086 3.086 1.69 weight 1.000 ! spec=HCHaro, no=155, id=4910, vol=9.700000e+06
or (resid 85 and name HD21) (resid 77 and name HD1)
or (resid 85 and name HD23) (resid 77 and name HD1)
assign (resid 44 and name HN) (resid 79 and name HE3) 3.078 3.078 1.684 weight 1.000 ! spec=HCHaro, no=157, id=4912, vol=9.850000e+06
assign (resid 127 and name HE1) (resid 4 and name HD12) 3.076 3.076 1.683 weight 1.000 ! spec=HCHaro, no=158, id=4913, vol=9.880000e+06
or (resid 127 and name HE1) (resid 4 and name HD11)
or (resid 127 and name HE1) (resid 4 and name HD13)
or (resid 127 and name HE2) (resid 4 and name HD12)
or (resid 127 and name HE2) (resid 4 and name HD11)
or (resid 127 and name HE2) (resid 4 and name HD13)
assign (resid 122 and name HB1) (resid 10 and name HH2) 3.076 3.076 1.683 weight 1.000 ! spec=HCHaro, no=159, id=4914, vol=9.890000e+06
assign (resid 120 and name HE3) (resid 25 and name HB2) 3.074 3.074 1.681 weight 1.000 ! spec=HCHaro, no=161, id=4916, vol=9.920000e+06
assign (resid 10 and name HZ2) (resid 37 and name HB1) 3.070 3.070 1.678 weight 1.000 ! spec=HCHaro, no=164, id=4919, vol=1.000000e+07
assign (resid 70 and name HE1) (resid 96 and name HG21) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=166, id=4921, vol=1.020000e+07
or (resid 70 and name HE1) (resid 96 and name HG22)
or (resid 70 and name HE1) (resid 96 and name HG23)
or (resid 70 and name HE2) (resid 96 and name HG21)
or (resid 70 and name HE2) (resid 96 and name HG22)
or (resid 70 and name HE2) (resid 96 and name HG23)
assign (resid 23 and name HG22) (resid 120 and name HZ3) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=167, id=4922, vol=1.020000e+07
or (resid 23 and name HG21) (resid 120 and name HZ3)
or (resid 23 and name HG23) (resid 120 and name HZ3)
assign (resid 61 and name HE1) (resid 59 and name HA) 3.060 3.060 1.67 weight 1.000 ! spec=HCHaro, no=168, id=4923, vol=1.020000e+07
or (resid 61 and name HE2) (resid 59 and name HA)
assign (resid 65 and name HD1) (resid 65 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HCHaro, no=171, id=4926, vol=1.040000e+07
assign (resid 37 and name HE2) (resid 19 and name HE1) 3.036 3.036 1.652 weight 1.000 ! spec=HCHaro, no=177, id=4932, vol=1.070000e+07
or (resid 37 and name HE1) (resid 19 and name HE1)
assign (resid 27 and name HE1) (resid 27 and name HZ2) 3.026 3.026 1.645 weight 1.000 ! spec=HCHaro, no=180, id=4935, vol=1.090000e+07
assign (resid 79 and name HD1) (resid 43 and name HD12) 3.004 3.004 1.628 weight 1.000 ! spec=HCHaro, no=184, id=4939, vol=1.140000e+07
or (resid 79 and name HD1) (resid 43 and name HD11)
or (resid 79 and name HD1) (resid 43 and name HD13)
assign (resid 7 and name HB2) (resid 10 and name HD1) 2.995 2.995 1.621 weight 1.000 ! spec=HCHaro, no=185, id=4940, vol=1.160000e+07
assign (resid 77 and name HD1) (resid 77 and name HB1) 2.995 2.995 1.621 weight 1.000 ! spec=HCHaro, no=186, id=4941, vol=1.160000e+07
assign (resid 111 and name HB2) (resid 77 and name HH2) 2.991 2.991 1.618 weight 1.000 ! spec=HCHaro, no=187, id=4942, vol=1.170000e+07
assign (resid 49 and name HA) (resid 13 and name HE1) 2.982 2.982 1.612 weight 1.000 ! spec=HCHaro, no=190, id=4945, vol=1.190000e+07
assign (resid 20 and name HG12) (resid 64 and name HZ) 2.978 2.978 1.609 weight 1.000 ! spec=HCHaro, no=192, id=4947, vol=1.200000e+07
or (resid 20 and name HG11) (resid 64 and name HZ)
or (resid 20 and name HG13) (resid 64 and name HZ)
assign (resid 52 and name HZ) (resid 11 and name HB2) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=193, id=4948, vol=1.220000e+07
or (resid 52 and name HZ) (resid 11 and name HB1)
assign (resid 79 and name HE3) (resid 43 and name HA) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=196, id=4951, vol=1.220000e+07
assign (resid 61 and name HB2) (resid 61 and name HE1) 2.970 2.970 1.603 weight 1.000 ! spec=HCHaro, no=197, id=4952, vol=1.220000e+07
or (resid 61 and name HB2) (resid 61 and name HE2)
assign (resid 120 and name HE3) (resid 120 and name HB2) 2.966 2.966 1.6 weight 1.000 ! spec=HCHaro, no=199, id=4954, vol=1.230000e+07
assign (resid 62 and name HB2) (resid 64 and name HZ) 2.958 2.958 1.594 weight 1.000 ! spec=HCHaro, no=203, id=4958, vol=1.250000e+07
or (resid 62 and name HB1) (resid 64 and name HZ)
assign (resid 77 and name HZ2) (resid 92 and name HG22) 2.946 2.946 1.585 weight 1.000 ! spec=HCHaro, no=206, id=4961, vol=1.280000e+07
or (resid 77 and name HZ2) (resid 92 and name HG21)
or (resid 77 and name HZ2) (resid 92 and name HG23)
assign (resid 120 and name HB1) (resid 65 and name HD1) 2.946 2.946 1.585 weight 1.000 ! spec=HCHaro, no=208, id=4963, vol=1.280000e+07
assign (resid 13 and name HE1) (resid 49 and name HG2) 2.943 2.943 1.582 weight 1.000 ! spec=HCHaro, no=211, id=4966, vol=1.290000e+07
assign (resid 52 and name HZ) (resid 52 and name HD1) 2.935 2.935 1.577 weight 1.000 ! spec=HCHaro, no=214, id=4969, vol=1.310000e+07
or (resid 52 and name HZ) (resid 52 and name HD2)
assign (resid 70 and name HA) (resid 70 and name HD1) 2.931 2.931 1.574 weight 1.000 ! spec=HCHaro, no=215, id=4970, vol=1.320000e+07
or (resid 70 and name HA) (resid 70 and name HD2)
assign (resid 27 and name HD1) (resid 65 and name HB1) 2.917 2.917 1.563 weight 1.000 ! spec=HCHaro, no=217, id=4972, vol=1.360000e+07
assign (resid 101 and name HB1) (resid 27 and name HD1) 2.913 2.913 1.561 weight 1.000 ! spec=HCHaro, no=219, id=4974, vol=1.370000e+07
assign (resid 10 and name HD1) (resid 10 and name HB2) 2.892 2.892 1.546 weight 1.000 ! spec=HCHaro, no=226, id=4980, vol=1.430000e+07
assign (resid 102 and name HB2) (resid 77 and name HZ3) 2.889 2.889 1.543 weight 1.000 ! spec=HCHaro, no=230, id=4984, vol=1.440000e+07
or (resid 102 and name HB1) (resid 77 and name HZ3)
or (resid 102 and name HB3) (resid 77 and name HZ3)
assign (resid 79 and name HD1) (resid 79 and name HB1) 2.882 2.882 1.539 weight 1.000 ! spec=HCHaro, no=231, id=4985, vol=1.460000e+07
assign (resid 116 and name HB2) (resid 65 and name HH2) 2.873 2.873 1.532 weight 1.000 ! spec=HCHaro, no=233, id=4986, vol=1.490000e+07
assign (resid 37 and name HB2) (resid 10 and name HZ2) 2.860 2.860 1.522 weight 1.000 ! spec=HCHaro, no=236, id=4988, vol=1.530000e+07
assign (resid 79 and name HD1) (resid 79 and name HB2) 2.857 2.857 1.52 weight 1.000 ! spec=HCHaro, no=237, id=4989, vol=1.540000e+07
assign (resid 27 and name HE3) (resid 28 and name HA) 2.854 2.854 1.518 weight 1.000 ! spec=HCHaro, no=239, id=4991, vol=1.550000e+07
assign (resid 120 and name HD1) (resid 120 and name HB1) 2.848 2.848 1.514 weight 1.000 ! spec=HCHaro, no=240, id=4992, vol=1.570000e+07
assign (resid 33 and name HB2) (resid 120 and name HZ2) 2.842 2.842 1.509 weight 1.000 ! spec=HCHaro, no=245, id=4997, vol=1.590000e+07
assign (resid 27 and name HD1) (resid 65 and name HE3) 2.842 2.842 1.509 weight 1.000 ! spec=HCHaro, no=246, id=4998, vol=1.590000e+07
assign (resid 128 and name HD2) (resid 128 and name HB1) 2.839 2.839 1.507 weight 1.000 ! spec=HCHaro, no=247, id=4999, vol=1.600000e+07
assign (resid 33 and name HB1) (resid 120 and name HZ2) 2.819 2.819 1.493 weight 1.000 ! spec=HCHaro, no=250, id=5002, vol=1.670000e+07
assign (resid 44 and name HB) (resid 79 and name HZ3) 2.807 2.807 1.485 weight 1.000 ! spec=HCHaro, no=252, id=5004, vol=1.710000e+07
assign (resid 18 and name HZ) (resid 42 and name HE2) 2.805 2.805 1.483 weight 1.000 ! spec=HCHaro, no=254, id=5005, vol=1.720000e+07
or (resid 18 and name HZ) (resid 42 and name HE1)
or (resid 18 and name HZ) (resid 42 and name HE3)
assign (resid 83 and name HB1) (resid 79 and name HD1) 2.784 2.784 1.469 weight 1.000 ! spec=HCHaro, no=257, id=5008, vol=1.800000e+07
assign (resid 77 and name HD1) (resid 77 and name HB2) 2.773 2.773 1.461 weight 1.000 ! spec=HCHaro, no=258, id=5009, vol=1.840000e+07
assign (resid 120 and name HB2) (resid 65 and name HD1) 2.763 2.763 1.455 weight 1.000 ! spec=HCHaro, no=260, id=5011, vol=1.880000e+07
assign (resid 120 and name HE3) (resid 65 and name HD1) 2.756 2.756 1.45 weight 1.000 ! spec=HCHaro, no=262, id=5013, vol=1.910000e+07
assign (resid 127 and name HN) (resid 127 and name HD1) 2.756 2.756 1.45 weight 1.000 ! spec=HCHaro, no=263, id=5014, vol=1.910000e+07
or (resid 127 and name HN) (resid 127 and name HD2)
assign (resid 70 and name HB2) (resid 70 and name HD1) 2.751 2.751 1.446 weight 1.000 ! spec=HCHaro, no=264, id=5015, vol=1.930000e+07
or (resid 70 and name HB2) (resid 70 and name HD2)
assign (resid 65 and name HB2) (resid 27 and name HD1) 2.737 2.737 1.437 weight 1.000 ! spec=HCHaro, no=267, id=5018, vol=1.990000e+07
assign (resid 7 and name HB1) (resid 10 and name HD1) 2.698 2.698 1.41 weight 1.000 ! spec=HCHaro, no=276, id=5027, vol=2.170000e+07
assign (resid 37 and name HD1) (resid 10 and name HZ2) 2.696 2.696 1.409 weight 1.000 ! spec=HCHaro, no=277, id=5028, vol=2.180000e+07
assign (resid 61 and name HN) (resid 61 and name HD1) 2.682 2.682 1.399 weight 1.000 ! spec=HCHaro, no=278, id=5029, vol=2.250000e+07
or (resid 61 and name HN) (resid 61 and name HD2)
assign (resid 127 and name HE1) (resid 15 and name HB2) 2.663 2.663 1.386 weight 1.000 ! spec=HCHaro, no=284, id=5034, vol=2.350000e+07
or (resid 127 and name HE2) (resid 15 and name HB2)
assign (resid 61 and name HD1) (resid 61 and name HA) 2.644 2.644 1.374 weight 1.000 ! spec=HCHaro, no=286, id=5036, vol=2.450000e+07
or (resid 61 and name HD2) (resid 61 and name HA)
assign (resid 27 and name HE1) (resid 27 and name HD1) 2.644 2.644 1.374 weight 1.000 ! spec=HCHaro, no=287, id=5037, vol=2.450000e+07
assign (resid 80 and name HG22) (resid 27 and name HZ2) 2.618 2.618 1.357 weight 1.000 ! spec=HCHaro, no=290, id=5040, vol=2.600000e+07
or (resid 80 and name HG21) (resid 27 and name HZ2)
or (resid 80 and name HG23) (resid 27 and name HZ2)
assign (resid 120 and name HZ3) (resid 120 and name HE3) 2.615 2.615 1.355 weight 1.000 ! spec=HCHaro, no=291, id=5041, vol=2.620000e+07
assign (resid 44 and name HD12) (resid 79 and name HZ3) 2.542 2.542 1.308 weight 1.000 ! spec=HCHaro, no=295, id=5045, vol=3.100000e+07
or (resid 44 and name HD11) (resid 79 and name HZ3)
or (resid 44 and name HD13) (resid 79 and name HZ3)
assign (resid 127 and name HA) (resid 127 and name HD1) 2.470 2.470 1.262 weight 1.000 ! spec=HCHaro, no=300, id=5050, vol=3.690000e+07
or (resid 127 and name HA) (resid 127 and name HD2)
assign (resid 61 and name HB2) (resid 61 and name HD1) 2.331 2.331 1.179 weight 1.000 ! spec=HCHaro, no=309, id=5059, vol=5.220000e+07
or (resid 61 and name HB2) (resid 61 and name HD2)
assign (resid 137 and name HD1) (resid 137 and name HE1) 2.235 2.235 1.124 weight 1.000 ! spec=HCHaro, no=313, id=5063, vol=6.720000e+07
or (resid 137 and name HD1) (resid 137 and name HE2)
or (resid 137 and name HD2) (resid 137 and name HE1)
or (resid 137 and name HD2) (resid 137 and name HE2)
assign (resid 70 and name HD1) (resid 70 and name HE1) 2.200 2.200 1.105 weight 1.000 ! spec=HCHaro, no=315, id=5065, vol=7.380000e+07
or (resid 70 and name HD1) (resid 70 and name HE2)
or (resid 70 and name HD2) (resid 70 and name HE1)
or (resid 70 and name HD2) (resid 70 and name HE2)
assign (resid 127 and name HD1) (resid 15 and name HB2) 2.115 2.115 1.059 weight 1.000 ! spec=HCHaro, no=323, id=5071, vol=9.350000e+07
or (resid 127 and name HD2) (resid 15 and name HB2)
assign (resid 16 and name HN) (resid 13 and name HN) 2.107 2.107 1.055 weight 1.000 ! spec=HCHaro, no=324, id=5072, vol=9.570000e+07
assign (resid 27 and name HH2) (resid 27 and name HZ2) 1.924 1.924 0.963 weight 1.000 ! spec=HCHaro, no=337, id=5085, vol=1.650000e+08
assign (resid 52 and name HE1) (resid 18 and name HD1) 1.778 1.778 0.895 weight 1.000 ! spec=HCHaro, no=344, id=5092, vol=2.650000e+08
or (resid 52 and name HE1) (resid 18 and name HD2)
or (resid 52 and name HE2) (resid 18 and name HD1)
or (resid 52 and name HE2) (resid 18 and name HD2)
assign (resid 61 and name HD1) (resid 61 and name HE1) 1.612 1.612 0.825 weight 1.000 ! spec=HCHaro, no=355, id=5103, vol=4.770000e+08
or (resid 61 and name HD1) (resid 61 and name HE2)
or (resid 61 and name HD2) (resid 61 and name HE1)
or (resid 61 and name HD2) (resid 61 and name HE2)
assign (resid 127 and name HE1) (resid 127 and name HD1) 1.557 1.557 0.803 weight 1.000 ! spec=HCHaro, no=358, id=5106, vol=5.880000e+08
or (resid 127 and name HE1) (resid 127 and name HD2)
or (resid 127 and name HE2) (resid 127 and name HD1)
or (resid 127 and name HE2) (resid 127 and name HD2)
assign (resid 43 and name HN) (resid 66 and name HG22) 3.400 3.400 1.945 weight 1.000 ! spec=HNH, no=3, id=0, vol=8.600000e+06
or (resid 43 and name HN) (resid 66 and name HG21)
or (resid 43 and name HN) (resid 66 and name HG23)
assign (resid 88 and name HN) (resid 90 and name HN) 3.399 3.399 1.944 weight 1.000 ! spec=HNH, no=4, id=1, vol=8.610000e+06
assign (resid 98 and name HD21) (resid 98 and name HA) 3.399 3.399 1.944 weight 1.000 ! spec=HNH, no=5, id=2, vol=8.610000e+06
assign (resid 86 and name HN) (resid 86 and name HB1) 3.398 3.398 1.943 weight 1.000 ! spec=HNH, no=6, id=3, vol=8.640000e+06
assign (resid 17 and name HN) (resid 124 and name HA) 3.397 3.397 1.942 weight 1.000 ! spec=HNH, no=7, id=4, vol=8.650000e+06
assign (resid 11 and name HN) (resid 17 and name HA) 3.395 3.395 1.941 weight 1.000 ! spec=HNH, no=10, id=7, vol=8.680000e+06
assign (resid 108 and name HN) (resid 106 and name HN) 3.395 3.395 1.941 weight 1.000 ! spec=HNH, no=11, id=8, vol=8.680000e+06
assign (resid 119 and name HN) (resid 24 and name HB1) 3.395 3.395 1.94 weight 1.000 ! spec=HNH, no=13, id=10, vol=8.680000e+06
assign (resid 65 and name HN) (resid 64 and name HB2) 3.392 3.392 1.938 weight 1.000 ! spec=HNH, no=15, id=12, vol=8.720000e+06
assign (resid 28 and name HN) (resid 114 and name HA) 3.389 3.389 1.936 weight 1.000 ! spec=HNH, no=18, id=15, vol=8.770000e+06
assign (resid 10 and name HE1) (resid 7 and name HG1) 3.389 3.389 1.935 weight 1.000 ! spec=HNH, no=19, id=16, vol=8.770000e+06
assign (resid 27 and name HN) (resid 114 and name HA) 3.388 3.388 1.935 weight 1.000 ! spec=HNH, no=21, id=18, vol=8.790000e+06
assign (resid 120 and name HE1) (resid 30 and name HA2) 3.388 3.388 1.935 weight 1.000 ! spec=HNH, no=22, id=19, vol=8.790000e+06
assign (resid 107 and name HN) (resid 108 and name HD2) 3.387 3.387 1.934 weight 1.000 ! spec=HNH, no=24, id=21, vol=8.810000e+06
or (resid 107 and name HN) (resid 108 and name HD1)
assign (resid 21 and name HN) (resid 20 and name HN) 3.386 3.386 1.933 weight 1.000 ! spec=HNH, no=25, id=22, vol=8.810000e+06
assign (resid 120 and name HN) (resid 64 and name HB1) 3.386 3.386 1.933 weight 1.000 ! spec=HNH, no=28, id=25, vol=8.820000e+06
assign (resid 35 and name HN) (resid 33 and name HN) 3.385 3.385 1.933 weight 1.000 ! spec=HNH, no=29, id=26, vol=8.820000e+06
assign (resid 57 and name HN) (resid 55 and name HN) 3.384 3.384 1.932 weight 1.000 ! spec=HNH, no=31, id=28, vol=8.840000e+06
assign (resid 25 and name HD21) (resid 25 and name HA) 3.384 3.384 1.931 weight 1.000 ! spec=HNH, no=32, id=29, vol=8.850000e+06
assign (resid 82 and name HN) (resid 83 and name HB1) 3.382 3.382 1.929 weight 1.000 ! spec=HNH, no=34, id=31, vol=8.880000e+06
assign (resid 62 and name HD21) (resid 59 and name HB1) 3.382 3.382 1.929 weight 1.000 ! spec=HNH, no=35, id=32, vol=8.890000e+06
assign (resid 100 and name HN) (resid 101 and name HN) 3.380 3.380 1.928 weight 1.000 ! spec=HNH, no=37, id=34, vol=8.900000e+06
assign (resid 63 and name HN) (resid 62 and name HD21) 3.379 3.379 1.927 weight 1.000 ! spec=HNH, no=39, id=36, vol=8.920000e+06
assign (resid 77 and name HE1) (resid 92 and name HB) 3.377 3.377 1.926 weight 1.000 ! spec=HNH, no=44, id=41, vol=8.950000e+06
assign (resid 11 and name HN) (resid 19 and name HA) 3.377 3.377 1.926 weight 1.000 ! spec=HNH, no=45, id=42, vol=8.950000e+06
assign (resid 51 and name HN) (resid 51 and name HD1) 3.377 3.377 1.925 weight 1.000 ! spec=HNH, no=46, id=43, vol=8.970000e+06
assign (resid 119 and name HE) (resid 119 and name HD1) 3.376 3.376 1.924 weight 1.000 ! spec=HNH, no=47, id=44, vol=8.980000e+06
assign (resid 30 and name HN) (resid 28 and name HN) 3.374 3.374 1.923 weight 1.000 ! spec=HNH, no=48, id=45, vol=9.010000e+06
assign (resid 78 and name HN) (resid 77 and name HE3) 3.374 3.374 1.923 weight 1.000 ! spec=HNH, no=49, id=46, vol=9.010000e+06
assign (resid 52 and name HN) (resid 51 and name HD1) 3.373 3.373 1.922 weight 1.000 ! spec=HNH, no=52, id=49, vol=9.020000e+06
assign (resid 30 and name HN) (resid 29 and name HG2) 3.373 3.373 1.922 weight 1.000 ! spec=HNH, no=53, id=50, vol=9.020000e+06
assign (resid 47 and name HE21) (resid 89 and name HB) 3.372 3.372 1.922 weight 1.000 ! spec=HNH, no=55, id=52, vol=9.030000e+06
assign (resid 78 and name HN) (resid 79 and name HN) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=59, id=56, vol=9.060000e+06
assign (resid 47 and name HN) (resid 89 and name HG22) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=60, id=57, vol=9.070000e+06
or (resid 47 and name HN) (resid 89 and name HG21)
or (resid 47 and name HN) (resid 89 and name HG23)
assign (resid 22 and name HN) (resid 22 and name HA) 3.370 3.370 1.92 weight 1.000 ! spec=HNH, no=61, id=58, vol=9.070000e+06
assign (resid 89 and name HN) (resid 86 and name HB2) 3.370 3.370 1.919 weight 1.000 ! spec=HNH, no=63, id=60, vol=9.070000e+06
assign (resid 65 and name HN) (resid 41 and name HD12) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=64, id=61, vol=9.080000e+06
or (resid 65 and name HN) (resid 41 and name HD11)
or (resid 65 and name HN) (resid 41 and name HD13)
assign (resid 27 and name HE1) (resid 101 and name HB2) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=65, id=62, vol=9.080000e+06
assign (resid 63 and name HN) (resid 64 and name HN) 3.369 3.369 1.919 weight 1.000 ! spec=HNH, no=66, id=63, vol=9.080000e+06
assign (resid 11 and name HN) (resid 52 and name HE1) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=69, id=66, vol=9.100000e+06
or (resid 11 and name HN) (resid 52 and name HE2)
assign (resid 17 and name HN) (resid 123 and name HG1) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=70, id=67, vol=9.100000e+06
assign (resid 119 and name HN) (resid 62 and name HB2) 3.368 3.368 1.918 weight 1.000 ! spec=HNH, no=71, id=68, vol=9.110000e+06
or (resid 119 and name HN) (resid 62 and name HB1)
assign (resid 61 and name HN) (resid 61 and name HE1) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=74, id=71, vol=9.150000e+06
or (resid 61 and name HN) (resid 61 and name HE2)
assign (resid 79 and name HE1) (resid 68 and name HD22) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=76, id=73, vol=9.160000e+06
or (resid 79 and name HE1) (resid 68 and name HD21)
or (resid 79 and name HE1) (resid 68 and name HD23)
assign (resid 120 and name HN) (resid 24 and name HA) 3.365 3.365 1.915 weight 1.000 ! spec=HNH, no=77, id=74, vol=9.160000e+06
assign (resid 93 and name HN) (resid 92 and name HG11) 3.364 3.364 1.915 weight 1.000 ! spec=HNH, no=78, id=75, vol=9.160000e+06
assign (resid 85 and name HN) (resid 83 and name HB1) 3.364 3.364 1.915 weight 1.000 ! spec=HNH, no=79, id=76, vol=9.170000e+06
assign (resid 27 and name HE1) (resid 101 and name HB1) 3.364 3.364 1.914 weight 1.000 ! spec=HNH, no=80, id=77, vol=9.170000e+06
assign (resid 40 and name HN) (resid 124 and name HA) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=81, id=78, vol=9.180000e+06
assign (resid 30 and name HN) (resid 41 and name HD12) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=82, id=79, vol=9.190000e+06
or (resid 30 and name HN) (resid 41 and name HD11)
or (resid 30 and name HN) (resid 41 and name HD13)
assign (resid 81 and name HN) (resid 83 and name HN) 3.363 3.363 1.914 weight 1.000 ! spec=HNH, no=83, id=80, vol=9.190000e+06
assign (resid 42 and name HN) (resid 41 and name HD22) 3.362 3.362 1.913 weight 1.000 ! spec=HNH, no=84, id=81, vol=9.200000e+06
or (resid 42 and name HN) (resid 41 and name HD21)
or (resid 42 and name HN) (resid 41 and name HD23)
assign (resid 79 and name HE1) (resid 85 and name HB2) 3.358 3.358 1.909 weight 1.000 ! spec=HNH, no=91, id=88, vol=9.270000e+06
assign (resid 101 and name HN) (resid 114 and name HA) 3.357 3.357 1.909 weight 1.000 ! spec=HNH, no=92, id=89, vol=9.280000e+06
assign (resid 33 and name HN) (resid 36 and name HN) 3.356 3.356 1.907 weight 1.000 ! spec=HNH, no=95, id=92, vol=9.310000e+06
assign (resid 118 and name HD21) (resid 112 and name HG2) 3.355 3.355 1.907 weight 1.000 ! spec=HNH, no=97, id=94, vol=9.320000e+06
assign (resid 139 and name HN) (resid 136 and name HA1) 3.348 3.348 1.901 weight 1.000 ! spec=HNH, no=101, id=98, vol=9.440000e+06
assign (resid 41 and name HN) (resid 80 and name HG12) 3.348 3.348 1.901 weight 1.000 ! spec=HNH, no=102, id=99, vol=9.440000e+06
assign (resid 37 and name HN) (resid 33 and name HA) 3.346 3.346 1.9 weight 1.000 ! spec=HNH, no=104, id=101, vol=9.470000e+06
assign (resid 29 and name HN) (resid 26 and name HN) 3.343 3.343 1.897 weight 1.000 ! spec=HNH, no=109, id=106, vol=9.520000e+06
assign (resid 36 and name HN) (resid 37 and name HD2) 3.343 3.343 1.897 weight 1.000 ! spec=HNH, no=110, id=107, vol=9.520000e+06
assign (resid 26 and name HN) (resid 25 and name HD21) 3.340 3.340 1.895 weight 1.000 ! spec=HNH, no=112, id=109, vol=9.560000e+06
assign (resid 112 and name HN) (resid 100 and name HB2) 3.340 3.340 1.895 weight 1.000 ! spec=HNH, no=113, id=110, vol=9.560000e+06
assign (resid 118 and name HD22) (resid 112 and name HG2) 3.340 3.340 1.894 weight 1.000 ! spec=HNH, no=114, id=111, vol=9.570000e+06
assign (resid 66 and name HN) (resid 66 and name HB) 3.338 3.338 1.893 weight 1.000 ! spec=HNH, no=117, id=114, vol=9.600000e+06
assign (resid 6 and name HN) (resid 7 and name HD2) 3.338 3.338 1.893 weight 1.000 ! spec=HNH, no=119, id=116, vol=9.610000e+06
assign (resid 79 and name HE1) (resid 86 and name HN) 3.337 3.337 1.892 weight 1.000 ! spec=HNH, no=120, id=117, vol=9.610000e+06
assign (resid 14 and name HN) (resid 14 and name HG2) 3.336 3.336 1.891 weight 1.000 ! spec=HNH, no=123, id=120, vol=9.640000e+06
assign (resid 127 and name HN) (resid 4 and name HD12) 3.336 3.336 1.891 weight 1.000 ! spec=HNH, no=124, id=121, vol=9.640000e+06
or (resid 127 and name HN) (resid 4 and name HD11)
or (resid 127 and name HN) (resid 4 and name HD13)
assign (resid 70 and name HN) (resid 77 and name HZ3) 3.334 3.334 1.89 weight 1.000 ! spec=HNH, no=127, id=124, vol=9.670000e+06
assign (resid 102 and name HN) (resid 68 and name HB1) 3.334 3.334 1.889 weight 1.000 ! spec=HNH, no=128, id=125, vol=9.670000e+06
assign (resid 20 and name HN) (resid 19 and name HB2) 3.333 3.333 1.888 weight 1.000 ! spec=HNH, no=129, id=126, vol=9.690000e+06
assign (resid 86 and name HD21) (resid 88 and name HB2) 3.332 3.332 1.888 weight 1.000 ! spec=HNH, no=130, id=127, vol=9.700000e+06
or (resid 86 and name HD21) (resid 88 and name HB1)
assign (resid 43 and name HN) (resid 123 and name HE22) 3.332 3.332 1.888 weight 1.000 ! spec=HNH, no=131, id=128, vol=9.710000e+06
assign (resid 85 and name HN) (resid 77 and name HB1) 3.330 3.330 1.886 weight 1.000 ! spec=HNH, no=132, id=129, vol=9.750000e+06
assign (resid 69 and name HN) (resid 68 and name HD12) 3.329 3.329 1.885 weight 1.000 ! spec=HNH, no=134, id=131, vol=9.770000e+06
or (resid 69 and name HN) (resid 68 and name HD11)
or (resid 69 and name HN) (resid 68 and name HD13)
assign (resid 79 and name HE1) (resid 85 and name HG) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=136, id=133, vol=9.780000e+06
assign (resid 39 and name HN) (resid 37 and name HB2) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=137, id=134, vol=9.780000e+06
assign (resid 29 and name HN) (resid 26 and name HB) 3.328 3.328 1.884 weight 1.000 ! spec=HNH, no=138, id=135, vol=9.780000e+06
assign (resid 122 and name HN) (resid 121 and name HB) 3.327 3.327 1.883 weight 1.000 ! spec=HNH, no=139, id=136, vol=9.800000e+06
assign (resid 124 and name HN) (resid 18 and name HD1) 3.326 3.326 1.882 weight 1.000 ! spec=HNH, no=140, id=137, vol=9.820000e+06
or (resid 124 and name HN) (resid 18 and name HD2)
assign (resid 17 and name HN) (resid 18 and name HN) 3.326 3.326 1.882 weight 1.000 ! spec=HNH, no=141, id=138, vol=9.820000e+06
assign (resid 122 and name HN) (resid 19 and name HB1) 3.325 3.325 1.882 weight 1.000 ! spec=HNH, no=143, id=140, vol=9.830000e+06
assign (resid 70 and name HN) (resid 101 and name HA) 3.324 3.324 1.881 weight 1.000 ! spec=HNH, no=147, id=144, vol=9.850000e+06
assign (resid 65 and name HN) (resid 120 and name HN) 3.324 3.324 1.881 weight 1.000 ! spec=HNH, no=148, id=145, vol=9.860000e+06
assign (resid 32 and name HN) (resid 29 and name HN) 3.320 3.320 1.878 weight 1.000 ! spec=HNH, no=153, id=150, vol=9.920000e+06
assign (resid 28 and name HN) (resid 31 and name HN) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=154, id=151, vol=9.930000e+06
assign (resid 83 and name HN) (resid 43 and name HD12) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=155, id=152, vol=9.930000e+06
or (resid 83 and name HN) (resid 43 and name HD11)
or (resid 83 and name HN) (resid 43 and name HD13)
assign (resid 68 and name HN) (resid 68 and name HD12) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=156, id=153, vol=9.940000e+06
or (resid 68 and name HN) (resid 68 and name HD11)
or (resid 68 and name HN) (resid 68 and name HD13)
assign (resid 61 and name HN) (resid 62 and name HB2) 3.319 3.319 1.877 weight 1.000 ! spec=HNH, no=157, id=154, vol=9.940000e+06
or (resid 61 and name HN) (resid 62 and name HB1)
assign (resid 77 and name HN) (resid 85 and name HB2) 3.318 3.318 1.877 weight 1.000 ! spec=HNH, no=158, id=155, vol=9.950000e+06
assign (resid 54 and name HN) (resid 53 and name HD22) 3.317 3.317 1.875 weight 1.000 ! spec=HNH, no=159, id=156, vol=9.980000e+06
or (resid 54 and name HN) (resid 53 and name HD21)
or (resid 54 and name HN) (resid 53 and name HD23)
assign (resid 64 and name HN) (resid 105 and name HA) 3.315 3.315 1.873 weight 1.000 ! spec=HNH, no=161, id=158, vol=1.000000e+07
assign (resid 139 and name HN) (resid 137 and name HB2) 3.313 3.313 1.872 weight 1.000 ! spec=HNH, no=165, id=162, vol=1.010000e+07
assign (resid 110 and name HN) (resid 109 and name HN) 3.310 3.310 1.869 weight 1.000 ! spec=HNH, no=171, id=168, vol=1.010000e+07
assign (resid 19 and name HN) (resid 121 and name HA) 3.309 3.309 1.869 weight 1.000 ! spec=HNH, no=172, id=169, vol=1.010000e+07
assign (resid 119 and name HE) (resid 119 and name HD2) 3.309 3.309 1.869 weight 1.000 ! spec=HNH, no=173, id=170, vol=1.010000e+07
assign (resid 59 and name HN) (resid 58 and name HG1) 3.308 3.308 1.868 weight 1.000 ! spec=HNH, no=175, id=172, vol=1.010000e+07
assign (resid 85 and name HN) (resid 84 and name HN) 3.307 3.307 1.867 weight 1.000 ! spec=HNH, no=177, id=174, vol=1.020000e+07
assign (resid 123 and name HN) (resid 42 and name HN) 3.307 3.307 1.867 weight 1.000 ! spec=HNH, no=178, id=175, vol=1.020000e+07
assign (resid 27 and name HE1) (resid 65 and name HE3) 3.305 3.305 1.865 weight 1.000 ! spec=HNH, no=181, id=178, vol=1.020000e+07
assign (resid 127 and name HN) (resid 15 and name HA) 3.304 3.304 1.865 weight 1.000 ! spec=HNH, no=182, id=179, vol=1.020000e+07
assign (resid 14 and name HN) (resid 14 and name HB2) 3.303 3.303 1.863 weight 1.000 ! spec=HNH, no=184, id=181, vol=1.020000e+07
or (resid 14 and name HN) (resid 14 and name HB1)
assign (resid 71 and name HN) (resid 72 and name HN) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=185, id=182, vol=1.020000e+07
assign (resid 123 and name HE21) (resid 16 and name HE1) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=186, id=183, vol=1.020000e+07
assign (resid 40 and name HN) (resid 34 and name HB2) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=187, id=184, vol=1.030000e+07
assign (resid 38 and name HN) (resid 37 and name HB2) 3.302 3.302 1.863 weight 1.000 ! spec=HNH, no=188, id=185, vol=1.030000e+07
assign (resid 25 and name HN) (resid 24 and name HN) 3.299 3.299 1.86 weight 1.000 ! spec=HNH, no=191, id=188, vol=1.030000e+07
assign (resid 67 and name HN) (resid 68 and name HN) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=192, id=189, vol=1.030000e+07
assign (resid 9 and name HN) (resid 10 and name HD1) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=193, id=190, vol=1.030000e+07
assign (resid 56 and name HN) (resid 11 and name HD22) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=194, id=191, vol=1.030000e+07
or (resid 56 and name HN) (resid 11 and name HD21)
or (resid 56 and name HN) (resid 11 and name HD23)
assign (resid 62 and name HN) (resid 59 and name HB1) 3.298 3.298 1.86 weight 1.000 ! spec=HNH, no=195, id=192, vol=1.030000e+07
assign (resid 106 and name HN) (resid 105 and name HN) 3.298 3.298 1.859 weight 1.000 ! spec=HNH, no=196, id=193, vol=1.030000e+07
assign (resid 69 and name HE) (resid 69 and name HD2) 3.297 3.297 1.859 weight 1.000 ! spec=HNH, no=197, id=194, vol=1.030000e+07
assign (resid 35 and name HN) (resid 32 and name HG22) 3.292 3.292 1.855 weight 1.000 ! spec=HNH, no=204, id=201, vol=1.040000e+07
or (resid 35 and name HN) (resid 32 and name HG21)
or (resid 35 and name HN) (resid 32 and name HG23)
assign (resid 86 and name HN) (resid 86 and name HB2) 3.289 3.289 1.852 weight 1.000 ! spec=HNH, no=205, id=202, vol=1.050000e+07
assign (resid 135 and name HN) (resid 134 and name HB2) 3.287 3.287 1.85 weight 1.000 ! spec=HNH, no=208, id=205, vol=1.050000e+07
or (resid 135 and name HN) (resid 134 and name HB1)
assign (resid 78 and name HN) (resid 71 and name HG21) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=209, id=206, vol=1.050000e+07
or (resid 78 and name HN) (resid 71 and name HG22)
or (resid 78 and name HN) (resid 71 and name HG23)
assign (resid 65 and name HN) (resid 103 and name HB2) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=210, id=207, vol=1.050000e+07
or (resid 65 and name HN) (resid 103 and name HB1)
or (resid 65 and name HN) (resid 103 and name HB3)
assign (resid 122 and name HN) (resid 121 and name HD12) 3.286 3.286 1.85 weight 1.000 ! spec=HNH, no=212, id=209, vol=1.060000e+07
or (resid 122 and name HN) (resid 121 and name HD11)
or (resid 122 and name HN) (resid 121 and name HD13)
assign (resid 119 and name HE) (resid 22 and name HA) 3.284 3.284 1.848 weight 1.000 ! spec=HNH, no=214, id=211, vol=1.060000e+07
assign (resid 27 and name HN) (resid 28 and name HG1) 3.282 3.282 1.846 weight 1.000 ! spec=HNH, no=216, id=213, vol=1.060000e+07
assign (resid 71 and name HN) (resid 70 and name HB1) 3.280 3.280 1.845 weight 1.000 ! spec=HNH, no=218, id=215, vol=1.070000e+07
assign (resid 62 and name HD22) (resid 59 and name HB2) 3.277 3.277 1.842 weight 1.000 ! spec=HNH, no=224, id=220, vol=1.070000e+07
assign (resid 12 and name HN) (resid 13 and name HN) 3.276 3.276 1.841 weight 1.000 ! spec=HNH, no=226, id=222, vol=1.080000e+07
assign (resid 71 and name HN) (resid 70 and name HB2) 3.275 3.275 1.841 weight 1.000 ! spec=HNH, no=227, id=223, vol=1.080000e+07
assign (resid 69 and name HE) (resid 69 and name HD1) 3.275 3.275 1.841 weight 1.000 ! spec=HNH, no=228, id=224, vol=1.080000e+07
assign (resid 41 and name HN) (resid 34 and name HB2) 3.272 3.272 1.838 weight 1.000 ! spec=HNH, no=230, id=226, vol=1.080000e+07
assign (resid 53 and name HN) (resid 56 and name HN) 3.272 3.272 1.838 weight 1.000 ! spec=HNH, no=231, id=227, vol=1.080000e+07
assign (resid 121 and name HN) (resid 64 and name HB1) 3.270 3.270 1.837 weight 1.000 ! spec=HNH, no=232, id=228, vol=1.090000e+07
assign (resid 77 and name HN) (resid 85 and name HD22) 3.268 3.268 1.835 weight 1.000 ! spec=HNH, no=234, id=230, vol=1.090000e+07
or (resid 77 and name HN) (resid 85 and name HD21)
or (resid 77 and name HN) (resid 85 and name HD23)
assign (resid 79 and name HE1) (resid 85 and name HB1) 3.268 3.268 1.835 weight 1.000 ! spec=HNH, no=235, id=231, vol=1.090000e+07
assign (resid 103 and name HN) (resid 111 and name HB1) 3.264 3.264 1.832 weight 1.000 ! spec=HNH, no=240, id=236, vol=1.100000e+07
assign (resid 120 and name HE1) (resid 33 and name HN) 3.264 3.264 1.832 weight 1.000 ! spec=HNH, no=241, id=237, vol=1.100000e+07
assign (resid 81 and name HD22) (resid 83 and name HB1) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=242, id=238, vol=1.100000e+07
assign (resid 12 and name HN) (resid 11 and name HN) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=243, id=239, vol=1.100000e+07
assign (resid 123 and name HE22) (resid 16 and name HB1) 3.263 3.263 1.831 weight 1.000 ! spec=HNH, no=244, id=240, vol=1.100000e+07
assign (resid 119 and name HN) (resid 119 and name HD1) 3.262 3.262 1.83 weight 1.000 ! spec=HNH, no=245, id=241, vol=1.100000e+07
assign (resid 27 and name HN) (resid 114 and name HB2) 3.260 3.260 1.829 weight 1.000 ! spec=HNH, no=248, id=244, vol=1.110000e+07
assign (resid 28 and name HN) (resid 26 and name HA) 3.260 3.260 1.828 weight 1.000 ! spec=HNH, no=249, id=245, vol=1.110000e+07
assign (resid 19 and name HN) (resid 10 and name HH2) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=251, id=247, vol=1.110000e+07
assign (resid 5 and name HN) (resid 6 and name HN) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=252, id=248, vol=1.110000e+07
assign (resid 103 and name HN) (resid 102 and name HN) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=253, id=249, vol=1.110000e+07
assign (resid 25 and name HD21) (resid 29 and name HG2) 3.259 3.259 1.828 weight 1.000 ! spec=HNH, no=254, id=250, vol=1.110000e+07
assign (resid 118 and name HN) (resid 117 and name HN) 3.259 3.259 1.827 weight 1.000 ! spec=HNH, no=255, id=251, vol=1.110000e+07
assign (resid 41 and name HN) (resid 34 and name HB1) 3.257 3.257 1.826 weight 1.000 ! spec=HNH, no=257, id=253, vol=1.110000e+07
assign (resid 65 and name HE1) (resid 25 and name HN) 3.255 3.255 1.824 weight 1.000 ! spec=HNH, no=261, id=257, vol=1.120000e+07
assign (resid 22 and name HN) (resid 22 and name HG1) 3.254 3.254 1.824 weight 1.000 ! spec=HNH, no=263, id=259, vol=1.120000e+07
assign (resid 48 and name HN) (resid 51 and name HN) 3.254 3.254 1.823 weight 1.000 ! spec=HNH, no=264, id=260, vol=1.120000e+07
assign (resid 63 and name HN) (resid 62 and name HN) 3.253 3.253 1.823 weight 1.000 ! spec=HNH, no=265, id=261, vol=1.120000e+07
assign (resid 88 and name HN) (resid 89 and name HG12) 3.251 3.251 1.821 weight 1.000 ! spec=HNH, no=266, id=262, vol=1.130000e+07
or (resid 88 and name HN) (resid 89 and name HG11)
or (resid 88 and name HN) (resid 89 and name HG13)
assign (resid 124 and name HN) (resid 16 and name HA) 3.249 3.249 1.82 weight 1.000 ! spec=HNH, no=267, id=263, vol=1.130000e+07
assign (resid 37 and name HN) (resid 38 and name HA1) 3.248 3.248 1.819 weight 1.000 ! spec=HNH, no=268, id=264, vol=1.130000e+07
assign (resid 16 and name HN) (resid 126 and name HD12) 3.247 3.247 1.818 weight 1.000 ! spec=HNH, no=270, id=266, vol=1.130000e+07
or (resid 16 and name HN) (resid 126 and name HD11)
or (resid 16 and name HN) (resid 126 and name HD13)
assign (resid 82 and name HN) (resid 83 and name HA) 3.246 3.246 1.817 weight 1.000 ! spec=HNH, no=271, id=267, vol=1.130000e+07
assign (resid 48 and name HN) (resid 50 and name HN) 3.245 3.245 1.817 weight 1.000 ! spec=HNH, no=272, id=268, vol=1.140000e+07
assign (resid 89 and name HN) (resid 90 and name HG) 3.244 3.244 1.815 weight 1.000 ! spec=HNH, no=278, id=274, vol=1.140000e+07
assign (resid 14 and name HN) (resid 14 and name HG1) 3.243 3.243 1.815 weight 1.000 ! spec=HNH, no=279, id=275, vol=1.140000e+07
assign (resid 25 and name HN) (resid 117 and name HB2) 3.240 3.240 1.812 weight 1.000 ! spec=HNH, no=284, id=280, vol=1.150000e+07
or (resid 25 and name HN) (resid 117 and name HB1)
assign (resid 35 and name HN) (resid 39 and name HN) 3.240 3.240 1.812 weight 1.000 ! spec=HNH, no=285, id=281, vol=1.150000e+07
assign (resid 69 and name HN) (resid 101 and name HA) 3.238 3.238 1.811 weight 1.000 ! spec=HNH, no=288, id=284, vol=1.150000e+07
assign (resid 6 and name HN) (resid 12 and name HB2) 3.237 3.237 1.809 weight 1.000 ! spec=HNH, no=291, id=287, vol=1.160000e+07
or (resid 6 and name HN) (resid 12 and name HB1)
assign (resid 40 and name HN) (resid 122 and name HA) 3.236 3.236 1.809 weight 1.000 ! spec=HNH, no=292, id=288, vol=1.160000e+07
assign (resid 47 and name HE21) (resid 47 and name HA) 3.236 3.236 1.809 weight 1.000 ! spec=HNH, no=294, id=290, vol=1.160000e+07
assign (resid 104 and name HN) (resid 65 and name HA) 3.235 3.235 1.809 weight 1.000 ! spec=HNH, no=296, id=292, vol=1.160000e+07
assign (resid 119 and name HE) (resid 119 and name HG1) 3.235 3.235 1.808 weight 1.000 ! spec=HNH, no=297, id=293, vol=1.160000e+07
assign (resid 10 and name HE1) (resid 7 and name HB2) 3.231 3.231 1.805 weight 1.000 ! spec=HNH, no=300, id=296, vol=1.170000e+07
assign (resid 29 and name HN) (resid 31 and name HN) 3.230 3.230 1.804 weight 1.000 ! spec=HNH, no=301, id=297, vol=1.170000e+07
assign (resid 120 and name HE1) (resid 41 and name HD12) 3.229 3.229 1.803 weight 1.000 ! spec=HNH, no=303, id=299, vol=1.170000e+07
or (resid 120 and name HE1) (resid 41 and name HD11)
or (resid 120 and name HE1) (resid 41 and name HD13)
assign (resid 135 and name HN) (resid 135 and name HA) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=304, id=300, vol=1.180000e+07
assign (resid 70 and name HN) (resid 70 and name HA) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=305, id=301, vol=1.180000e+07
assign (resid 53 and name HN) (resid 50 and name HN) 3.228 3.228 1.802 weight 1.000 ! spec=HNH, no=306, id=302, vol=1.180000e+07
assign (resid 41 and name HN) (resid 31 and name HA) 3.224 3.224 1.8 weight 1.000 ! spec=HNH, no=311, id=307, vol=1.180000e+07
assign (resid 88 and name HN) (resid 87 and name HB1) 3.224 3.224 1.799 weight 1.000 ! spec=HNH, no=312, id=308, vol=1.180000e+07
assign (resid 114 and name HN) (resid 101 and name HB2) 3.220 3.220 1.796 weight 1.000 ! spec=HNH, no=313, id=309, vol=1.190000e+07
assign (resid 100 and name HN) (resid 70 and name HD1) 3.220 3.220 1.796 weight 1.000 ! spec=HNH, no=314, id=310, vol=1.190000e+07
or (resid 100 and name HN) (resid 70 and name HD2)
assign (resid 56 and name HN) (resid 54 and name HN) 3.219 3.219 1.796 weight 1.000 ! spec=HNH, no=316, id=312, vol=1.190000e+07
assign (resid 10 and name HE1) (resid 37 and name HD1) 3.218 3.218 1.794 weight 1.000 ! spec=HNH, no=317, id=313, vol=1.200000e+07
assign (resid 83 and name HN) (resid 79 and name HN) 3.217 3.217 1.794 weight 1.000 ! spec=HNH, no=320, id=316, vol=1.200000e+07
assign (resid 124 and name HN) (resid 125 and name HN) 3.217 3.217 1.793 weight 1.000 ! spec=HNH, no=322, id=318, vol=1.200000e+07
assign (resid 128 and name HN) (resid 127 and name HA) 3.216 3.216 1.793 weight 1.000 ! spec=HNH, no=324, id=320, vol=1.200000e+07
assign (resid 59 and name HN) (resid 58 and name HD2) 3.215 3.215 1.792 weight 1.000 ! spec=HNH, no=329, id=325, vol=1.200000e+07
or (resid 59 and name HN) (resid 58 and name HD1)
assign (resid 121 and name HN) (resid 66 and name HG22) 3.215 3.215 1.792 weight 1.000 ! spec=HNH, no=330, id=326, vol=1.200000e+07
or (resid 121 and name HN) (resid 66 and name HG21)
or (resid 121 and name HN) (resid 66 and name HG23)
assign (resid 120 and name HE1) (resid 30 and name HA1) 3.214 3.214 1.791 weight 1.000 ! spec=HNH, no=332, id=328, vol=1.210000e+07
assign (resid 65 and name HN) (resid 118 and name HB2) 3.213 3.213 1.79 weight 1.000 ! spec=HNH, no=333, id=329, vol=1.210000e+07
assign (resid 120 and name HE1) (resid 21 and name HB1) 3.210 3.210 1.788 weight 1.000 ! spec=HNH, no=336, id=332, vol=1.210000e+07
assign (resid 112 and name HN) (resid 111 and name HD1) 3.210 3.210 1.788 weight 1.000 ! spec=HNH, no=337, id=333, vol=1.220000e+07
or (resid 112 and name HN) (resid 111 and name HD2)
assign (resid 35 and name HN) (resid 37 and name HN) 3.209 3.209 1.788 weight 1.000 ! spec=HNH, no=338, id=334, vol=1.220000e+07
assign (resid 24 and name HN) (resid 120 and name HZ3) 3.208 3.208 1.787 weight 1.000 ! spec=HNH, no=340, id=336, vol=1.220000e+07
assign (resid 52 and name HN) (resid 53 and name HB2) 3.208 3.208 1.787 weight 1.000 ! spec=HNH, no=341, id=337, vol=1.220000e+07
assign (resid 22 and name HN) (resid 22 and name HB1) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=342, id=338, vol=1.220000e+07
assign (resid 118 and name HD22) (resid 103 and name HB2) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=343, id=339, vol=1.220000e+07
or (resid 118 and name HD22) (resid 103 and name HB1)
or (resid 118 and name HD22) (resid 103 and name HB3)
assign (resid 79 and name HN) (resid 79 and name HA) 3.207 3.207 1.786 weight 1.000 ! spec=HNH, no=345, id=341, vol=1.220000e+07
assign (resid 85 and name HN) (resid 77 and name HB2) 3.206 3.206 1.785 weight 1.000 ! spec=HNH, no=346, id=342, vol=1.220000e+07
assign (resid 120 and name HN) (resid 119 and name HG2) 3.201 3.201 1.781 weight 1.000 ! spec=HNH, no=353, id=349, vol=1.240000e+07
assign (resid 101 and name HN) (resid 113 and name HN) 3.201 3.201 1.781 weight 1.000 ! spec=HNH, no=355, id=351, vol=1.240000e+07
assign (resid 108 and name HN) (resid 110 and name HG21) 3.198 3.198 1.778 weight 1.000 ! spec=HNH, no=357, id=353, vol=1.240000e+07
or (resid 108 and name HN) (resid 110 and name HG22)
or (resid 108 and name HN) (resid 110 and name HG23)
assign (resid 129 and name HN) (resid 129 and name HA) 3.198 3.198 1.778 weight 1.000 ! spec=HNH, no=358, id=354, vol=1.240000e+07
assign (resid 28 and name HN) (resid 26 and name HG21) 3.195 3.195 1.776 weight 1.000 ! spec=HNH, no=364, id=360, vol=1.250000e+07
or (resid 28 and name HN) (resid 26 and name HG22)
or (resid 28 and name HN) (resid 26 and name HG23)
assign (resid 79 and name HN) (resid 84 and name HA) 3.192 3.192 1.774 weight 1.000 ! spec=HNH, no=366, id=362, vol=1.250000e+07
assign (resid 17 and name HN) (resid 123 and name HA) 3.191 3.191 1.773 weight 1.000 ! spec=HNH, no=370, id=366, vol=1.260000e+07
assign (resid 37 and name HN) (resid 35 and name HA) 3.191 3.191 1.773 weight 1.000 ! spec=HNH, no=371, id=367, vol=1.260000e+07
assign (resid 6 and name HN) (resid 7 and name HD1) 3.190 3.190 1.772 weight 1.000 ! spec=HNH, no=372, id=368, vol=1.260000e+07
assign (resid 19 and name HN) (resid 122 and name HB2) 3.189 3.189 1.771 weight 1.000 ! spec=HNH, no=373, id=369, vol=1.260000e+07
assign (resid 122 and name HN) (resid 18 and name HA) 3.189 3.189 1.771 weight 1.000 ! spec=HNH, no=374, id=370, vol=1.260000e+07
assign (resid 92 and name HN) (resid 92 and name HD12) 3.188 3.188 1.77 weight 1.000 ! spec=HNH, no=378, id=374, vol=1.270000e+07
or (resid 92 and name HN) (resid 92 and name HD11)
or (resid 92 and name HN) (resid 92 and name HD13)
assign (resid 59 and name HN) (resid 57 and name HA) 3.187 3.187 1.77 weight 1.000 ! spec=HNH, no=379, id=375, vol=1.270000e+07
assign (resid 110 and name HN) (resid 102 and name HB2) 3.186 3.186 1.769 weight 1.000 ! spec=HNH, no=382, id=378, vol=1.270000e+07
or (resid 110 and name HN) (resid 102 and name HB1)
or (resid 110 and name HN) (resid 102 and name HB3)
assign (resid 120 and name HN) (resid 120 and name HE3) 3.185 3.185 1.768 weight 1.000 ! spec=HNH, no=383, id=379, vol=1.270000e+07
assign (resid 25 and name HN) (resid 119 and name HA) 3.185 3.185 1.768 weight 1.000 ! spec=HNH, no=384, id=380, vol=1.270000e+07
assign (resid 69 and name HN) (resid 68 and name HB1) 3.184 3.184 1.767 weight 1.000 ! spec=HNH, no=385, id=381, vol=1.270000e+07
assign (resid 119 and name HE) (resid 62 and name HA) 3.183 3.183 1.766 weight 1.000 ! spec=HNH, no=386, id=382, vol=1.280000e+07
assign (resid 113 and name HN) (resid 114 and name HN) 3.182 3.182 1.766 weight 1.000 ! spec=HNH, no=387, id=383, vol=1.280000e+07
assign (resid 101 and name HN) (resid 111 and name HB2) 3.182 3.182 1.765 weight 1.000 ! spec=HNH, no=388, id=384, vol=1.280000e+07
assign (resid 48 and name HN) (resid 46 and name HA) 3.178 3.178 1.762 weight 1.000 ! spec=HNH, no=391, id=387, vol=1.290000e+07
assign (resid 62 and name HN) (resid 61 and name HB2) 3.177 3.177 1.762 weight 1.000 ! spec=HNH, no=394, id=390, vol=1.290000e+07
assign (resid 108 and name HN) (resid 107 and name HB1) 3.176 3.176 1.761 weight 1.000 ! spec=HNH, no=397, id=393, vol=1.290000e+07
assign (resid 68 and name HN) (resid 66 and name HD12) 3.175 3.175 1.76 weight 1.000 ! spec=HNH, no=398, id=394, vol=1.300000e+07
or (resid 68 and name HN) (resid 66 and name HD11)
or (resid 68 and name HN) (resid 66 and name HD13)
assign (resid 22 and name HE22) (resid 63 and name HN) 3.174 3.174 1.759 weight 1.000 ! spec=HNH, no=400, id=396, vol=1.300000e+07
assign (resid 65 and name HN) (resid 118 and name HB1) 3.172 3.172 1.758 weight 1.000 ! spec=HNH, no=401, id=397, vol=1.300000e+07
assign (resid 123 and name HN) (resid 123 and name HB1) 3.171 3.171 1.757 weight 1.000 ! spec=HNH, no=402, id=398, vol=1.310000e+07
assign (resid 121 and name HN) (resid 65 and name HN) 3.170 3.170 1.756 weight 1.000 ! spec=HNH, no=403, id=399, vol=1.310000e+07
assign (resid 65 and name HN) (resid 64 and name HB1) 3.170 3.170 1.756 weight 1.000 ! spec=HNH, no=404, id=400, vol=1.310000e+07
assign (resid 28 and name HN) (resid 29 and name HB2) 3.168 3.168 1.754 weight 1.000 ! spec=HNH, no=406, id=402, vol=1.320000e+07
or (resid 28 and name HN) (resid 29 and name HB1)
assign (resid 62 and name HN) (resid 60 and name HA) 3.166 3.166 1.753 weight 1.000 ! spec=HNH, no=408, id=404, vol=1.320000e+07
assign (resid 109 and name HN) (resid 90 and name HB1) 3.164 3.164 1.752 weight 1.000 ! spec=HNH, no=410, id=406, vol=1.320000e+07
assign (resid 69 and name HE) (resid 69 and name HB1) 3.164 3.164 1.751 weight 1.000 ! spec=HNH, no=411, id=407, vol=1.330000e+07
assign (resid 85 and name HN) (resid 68 and name HD22) 3.162 3.162 1.75 weight 1.000 ! spec=HNH, no=412, id=408, vol=1.330000e+07
or (resid 85 and name HN) (resid 68 and name HD21)
or (resid 85 and name HN) (resid 68 and name HD23)
assign (resid 97 and name HN) (resid 96 and name HB) 3.161 3.161 1.749 weight 1.000 ! spec=HNH, no=413, id=409, vol=1.330000e+07
assign (resid 103 and name HN) (resid 109 and name HA) 3.158 3.158 1.747 weight 1.000 ! spec=HNH, no=415, id=411, vol=1.340000e+07
assign (resid 65 and name HE1) (resid 118 and name HB2) 3.158 3.158 1.746 weight 1.000 ! spec=HNH, no=416, id=412, vol=1.340000e+07
assign (resid 102 and name HN) (resid 66 and name HD12) 3.157 3.157 1.746 weight 1.000 ! spec=HNH, no=417, id=413, vol=1.340000e+07
or (resid 102 and name HN) (resid 66 and name HD11)
or (resid 102 and name HN) (resid 66 and name HD13)
assign (resid 25 and name HN) (resid 25 and name HB1) 3.156 3.156 1.745 weight 1.000 ! spec=HNH, no=418, id=414, vol=1.340000e+07
assign (resid 108 and name HN) (resid 107 and name HB2) 3.155 3.155 1.744 weight 1.000 ! spec=HNH, no=420, id=416, vol=1.350000e+07
assign (resid 25 and name HD22) (resid 29 and name HG2) 3.151 3.151 1.741 weight 1.000 ! spec=HNH, no=422, id=418, vol=1.360000e+07
assign (resid 93 and name HN) (resid 92 and name HN) 3.151 3.151 1.741 weight 1.000 ! spec=HNH, no=423, id=419, vol=1.360000e+07
assign (resid 122 and name HN) (resid 121 and name HG12) 3.150 3.150 1.74 weight 1.000 ! spec=HNH, no=424, id=420, vol=1.360000e+07
assign (resid 18 and name HN) (resid 12 and name HA) 3.149 3.149 1.74 weight 1.000 ! spec=HNH, no=425, id=421, vol=1.360000e+07
assign (resid 13 and name HN) (resid 18 and name HE1) 3.149 3.149 1.739 weight 1.000 ! spec=HNH, no=427, id=423, vol=1.360000e+07
or (resid 13 and name HN) (resid 18 and name HE2)
assign (resid 86 and name HD22) (resid 88 and name HB2) 3.149 3.149 1.739 weight 1.000 ! spec=HNH, no=428, id=424, vol=1.360000e+07
or (resid 86 and name HD22) (resid 88 and name HB1)
assign (resid 120 and name HN) (resid 120 and name HB2) 3.146 3.146 1.737 weight 1.000 ! spec=HNH, no=430, id=426, vol=1.370000e+07
assign (resid 106 and name HN) (resid 104 and name HA) 3.146 3.146 1.737 weight 1.000 ! spec=HNH, no=431, id=427, vol=1.370000e+07
assign (resid 71 and name HN) (resid 70 and name HD1) 3.145 3.145 1.736 weight 1.000 ! spec=HNH, no=432, id=428, vol=1.370000e+07
or (resid 71 and name HN) (resid 70 and name HD2)
assign (resid 82 and name HN) (resid 79 and name HB1) 3.144 3.144 1.736 weight 1.000 ! spec=HNH, no=433, id=429, vol=1.380000e+07
assign (resid 10 and name HN) (resid 11 and name HN) 3.144 3.144 1.735 weight 1.000 ! spec=HNH, no=434, id=430, vol=1.380000e+07
assign (resid 78 and name HN) (resid 77 and name HB2) 3.142 3.142 1.734 weight 1.000 ! spec=HNH, no=436, id=432, vol=1.380000e+07
assign (resid 122 and name HN) (resid 20 and name HA) 3.140 3.140 1.733 weight 1.000 ! spec=HNH, no=438, id=434, vol=1.390000e+07
assign (resid 53 and name HN) (resid 51 and name HB2) 3.139 3.139 1.732 weight 1.000 ! spec=HNH, no=439, id=435, vol=1.390000e+07
or (resid 53 and name HN) (resid 51 and name HB1)
assign (resid 110 and name HN) (resid 109 and name HB) 3.137 3.137 1.73 weight 1.000 ! spec=HNH, no=441, id=436, vol=1.390000e+07
assign (resid 136 and name HN) (resid 135 and name HA) 3.136 3.136 1.73 weight 1.000 ! spec=HNH, no=443, id=438, vol=1.400000e+07
assign (resid 62 and name HD22) (resid 59 and name HB1) 3.136 3.136 1.729 weight 1.000 ! spec=HNH, no=444, id=439, vol=1.400000e+07
assign (resid 93 and name HN) (resid 92 and name HB) 3.136 3.136 1.729 weight 1.000 ! spec=HNH, no=445, id=440, vol=1.400000e+07
assign (resid 116 and name HN) (resid 112 and name HB2) 3.134 3.134 1.728 weight 1.000 ! spec=HNH, no=447, id=442, vol=1.400000e+07
assign (resid 38 and name HN) (resid 37 and name HB1) 3.133 3.133 1.727 weight 1.000 ! spec=HNH, no=448, id=443, vol=1.400000e+07
assign (resid 123 and name HE21) (resid 16 and name HB1) 3.131 3.131 1.725 weight 1.000 ! spec=HNH, no=451, id=446, vol=1.410000e+07
assign (resid 46 and name HN) (resid 50 and name HN) 3.129 3.129 1.724 weight 1.000 ! spec=HNH, no=452, id=447, vol=1.420000e+07
assign (resid 40 and name HN) (resid 39 and name HN) 3.129 3.129 1.724 weight 1.000 ! spec=HNH, no=453, id=448, vol=1.420000e+07
assign (resid 35 and name HN) (resid 36 and name HA1) 3.127 3.127 1.722 weight 1.000 ! spec=HNH, no=456, id=451, vol=1.420000e+07
assign (resid 40 and name HN) (resid 34 and name HB1) 3.126 3.126 1.721 weight 1.000 ! spec=HNH, no=459, id=454, vol=1.420000e+07
assign (resid 109 and name HN) (resid 110 and name HG21) 3.125 3.125 1.721 weight 1.000 ! spec=HNH, no=460, id=455, vol=1.430000e+07
or (resid 109 and name HN) (resid 110 and name HG22)
or (resid 109 and name HN) (resid 110 and name HG23)
assign (resid 49 and name HN) (resid 46 and name HB2) 3.125 3.125 1.72 weight 1.000 ! spec=HNH, no=461, id=456, vol=1.430000e+07
or (resid 49 and name HN) (resid 46 and name HB1)
assign (resid 100 and name HN) (resid 70 and name HB1) 3.124 3.124 1.72 weight 1.000 ! spec=HNH, no=462, id=457, vol=1.430000e+07
assign (resid 51 and name HN) (resid 54 and name HD12) 3.123 3.123 1.719 weight 1.000 ! spec=HNH, no=464, id=459, vol=1.430000e+07
or (resid 51 and name HN) (resid 54 and name HD11)
or (resid 51 and name HN) (resid 54 and name HD13)
assign (resid 40 and name HN) (resid 40 and name HB) 3.121 3.121 1.718 weight 1.000 ! spec=HNH, no=467, id=462, vol=1.440000e+07
assign (resid 127 and name HN) (resid 125 and name HB2) 3.120 3.120 1.717 weight 1.000 ! spec=HNH, no=468, id=463, vol=1.440000e+07
assign (resid 104 and name HN) (resid 64 and name HB2) 3.120 3.120 1.717 weight 1.000 ! spec=HNH, no=469, id=464, vol=1.440000e+07
assign (resid 74 and name HN) (resid 72 and name HD22) 3.119 3.119 1.716 weight 1.000 ! spec=HNH, no=470, id=465, vol=1.440000e+07
or (resid 74 and name HN) (resid 72 and name HD21)
or (resid 74 and name HN) (resid 72 and name HD23)
assign (resid 118 and name HD21) (resid 103 and name HB2) 3.115 3.115 1.713 weight 1.000 ! spec=HNH, no=475, id=470, vol=1.450000e+07
or (resid 118 and name HD21) (resid 103 and name HB1)
or (resid 118 and name HD21) (resid 103 and name HB3)
assign (resid 36 and name HN) (resid 32 and name HA) 3.115 3.115 1.713 weight 1.000 ! spec=HNH, no=476, id=471, vol=1.460000e+07
assign (resid 57 and name HN) (resid 58 and name HN) 3.107 3.107 1.707 weight 1.000 ! spec=HNH, no=482, id=477, vol=1.480000e+07
assign (resid 106 and name HN) (resid 107 and name HN) 3.105 3.105 1.705 weight 1.000 ! spec=HNH, no=486, id=481, vol=1.480000e+07
assign (resid 62 and name HN) (resid 61 and name HB1) 3.103 3.103 1.704 weight 1.000 ! spec=HNH, no=487, id=482, vol=1.490000e+07
assign (resid 59 and name HN) (resid 59 and name HG2) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=488, id=483, vol=1.490000e+07
assign (resid 68 and name HN) (resid 68 and name HA) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=489, id=484, vol=1.490000e+07
assign (resid 23 and name HN) (resid 24 and name HN) 3.101 3.101 1.702 weight 1.000 ! spec=HNH, no=490, id=485, vol=1.490000e+07
assign (resid 39 and name HN) (resid 37 and name HB1) 3.099 3.099 1.701 weight 1.000 ! spec=HNH, no=491, id=486, vol=1.500000e+07
assign (resid 65 and name HN) (resid 120 and name HB2) 3.099 3.099 1.7 weight 1.000 ! spec=HNH, no=492, id=487, vol=1.500000e+07
assign (resid 120 and name HN) (resid 21 and name HB2) 3.098 3.098 1.7 weight 1.000 ! spec=HNH, no=494, id=489, vol=1.500000e+07
assign (resid 32 and name HN) (resid 31 and name HA) 3.096 3.096 1.699 weight 1.000 ! spec=HNH, no=495, id=490, vol=1.510000e+07
assign (resid 61 and name HN) (resid 59 and name HA) 3.095 3.095 1.697 weight 1.000 ! spec=HNH, no=496, id=491, vol=1.510000e+07
assign (resid 36 and name HN) (resid 34 and name HA) 3.095 3.095 1.697 weight 1.000 ! spec=HNH, no=497, id=492, vol=1.510000e+07
assign (resid 107 and name HN) (resid 108 and name HG2) 3.094 3.094 1.697 weight 1.000 ! spec=HNH, no=498, id=493, vol=1.510000e+07
assign (resid 78 and name HN) (resid 77 and name HB1) 3.094 3.094 1.697 weight 1.000 ! spec=HNH, no=499, id=494, vol=1.510000e+07
assign (resid 9 and name HN) (resid 7 and name HA) 3.094 3.094 1.696 weight 1.000 ! spec=HNH, no=500, id=495, vol=1.520000e+07
assign (resid 75 and name HN) (resid 75 and name HB1) 3.093 3.093 1.696 weight 1.000 ! spec=HNH, no=501, id=496, vol=1.520000e+07
assign (resid 120 and name HE1) (resid 34 and name HN) 3.092 3.092 1.695 weight 1.000 ! spec=HNH, no=503, id=498, vol=1.520000e+07
assign (resid 69 and name HN) (resid 77 and name HE3) 3.090 3.090 1.694 weight 1.000 ! spec=HNH, no=506, id=501, vol=1.530000e+07
assign (resid 30 and name HN) (resid 27 and name HA) 3.088 3.088 1.692 weight 1.000 ! spec=HNH, no=508, id=503, vol=1.530000e+07
assign (resid 121 and name HN) (resid 121 and name HD12) 3.087 3.087 1.691 weight 1.000 ! spec=HNH, no=509, id=504, vol=1.540000e+07
or (resid 121 and name HN) (resid 121 and name HD11)
or (resid 121 and name HN) (resid 121 and name HD13)
assign (resid 48 and name HN) (resid 51 and name HB2) 3.087 3.087 1.691 weight 1.000 ! spec=HNH, no=510, id=505, vol=1.540000e+07
or (resid 48 and name HN) (resid 51 and name HB1)
assign (resid 118 and name HN) (resid 25 and name HA) 3.086 3.086 1.69 weight 1.000 ! spec=HNH, no=511, id=506, vol=1.540000e+07
assign (resid 26 and name HN) (resid 29 and name HG1) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=512, id=507, vol=1.540000e+07
assign (resid 22 and name HN) (resid 22 and name HB2) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=513, id=508, vol=1.540000e+07
assign (resid 43 and name HN) (resid 42 and name HB2) 3.084 3.084 1.689 weight 1.000 ! spec=HNH, no=515, id=510, vol=1.540000e+07
assign (resid 68 and name HN) (resid 67 and name HA1) 3.083 3.083 1.688 weight 1.000 ! spec=HNH, no=516, id=511, vol=1.550000e+07
assign (resid 50 and name HN) (resid 42 and name HE2) 3.082 3.082 1.688 weight 1.000 ! spec=HNH, no=517, id=512, vol=1.550000e+07
or (resid 50 and name HN) (resid 42 and name HE1)
or (resid 50 and name HN) (resid 42 and name HE3)
assign (resid 64 and name HN) (resid 64 and name HA) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=518, id=513, vol=1.550000e+07
assign (resid 109 and name HN) (resid 108 and name HG1) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=519, id=514, vol=1.550000e+07
assign (resid 49 and name HN) (resid 46 and name HN) 3.082 3.082 1.687 weight 1.000 ! spec=HNH, no=520, id=515, vol=1.550000e+07
assign (resid 25 and name HD21) (resid 120 and name HH2) 3.081 3.081 1.686 weight 1.000 ! spec=HNH, no=521, id=516, vol=1.550000e+07
assign (resid 42 and name HN) (resid 66 and name HB) 3.079 3.079 1.685 weight 1.000 ! spec=HNH, no=522, id=517, vol=1.560000e+07
assign (resid 25 and name HD21) (resid 29 and name HB2) 3.074 3.074 1.682 weight 1.000 ! spec=HNH, no=524, id=519, vol=1.570000e+07
or (resid 25 and name HD21) (resid 29 and name HB1)
assign (resid 77 and name HE1) (resid 70 and name HD1) 3.073 3.073 1.681 weight 1.000 ! spec=HNH, no=525, id=520, vol=1.580000e+07
or (resid 77 and name HE1) (resid 70 and name HD2)
assign (resid 27 and name HE1) (resid 41 and name HD12) 3.073 3.073 1.68 weight 1.000 ! spec=HNH, no=527, id=522, vol=1.580000e+07
or (resid 27 and name HE1) (resid 41 and name HD11)
or (resid 27 and name HE1) (resid 41 and name HD13)
assign (resid 79 and name HN) (resid 78 and name HB1) 3.071 3.071 1.679 weight 1.000 ! spec=HNH, no=529, id=524, vol=1.580000e+07
assign (resid 47 and name HE21) (resid 89 and name HG22) 3.070 3.070 1.678 weight 1.000 ! spec=HNH, no=530, id=525, vol=1.590000e+07
or (resid 47 and name HE21) (resid 89 and name HG21)
or (resid 47 and name HE21) (resid 89 and name HG23)
assign (resid 110 and name HN) (resid 110 and name HB) 3.069 3.069 1.678 weight 1.000 ! spec=HNH, no=531, id=526, vol=1.590000e+07
assign (resid 94 and name HN) (resid 93 and name HB) 3.065 3.065 1.674 weight 1.000 ! spec=HNH, no=534, id=529, vol=1.600000e+07
assign (resid 25 and name HD22) (resid 29 and name HB2) 3.064 3.064 1.674 weight 1.000 ! spec=HNH, no=535, id=530, vol=1.600000e+07
or (resid 25 and name HD22) (resid 29 and name HB1)
assign (resid 29 and name HN) (resid 28 and name HA) 3.064 3.064 1.674 weight 1.000 ! spec=HNH, no=536, id=531, vol=1.610000e+07
assign (resid 126 and name HN) (resid 125 and name HN) 3.063 3.063 1.673 weight 1.000 ! spec=HNH, no=537, id=532, vol=1.610000e+07
assign (resid 81 and name HD22) (resid 81 and name HB1) 3.062 3.062 1.672 weight 1.000 ! spec=HNH, no=539, id=534, vol=1.610000e+07
assign (resid 102 and name HN) (resid 27 and name HD1) 3.060 3.060 1.671 weight 1.000 ! spec=HNH, no=540, id=535, vol=1.620000e+07
assign (resid 19 and name HN) (resid 18 and name HD1) 3.059 3.059 1.67 weight 1.000 ! spec=HNH, no=543, id=538, vol=1.620000e+07
or (resid 19 and name HN) (resid 18 and name HD2)
assign (resid 35 and name HN) (resid 34 and name HA) 3.057 3.057 1.668 weight 1.000 ! spec=HNH, no=545, id=540, vol=1.630000e+07
assign (resid 65 and name HE1) (resid 27 and name HA) 3.057 3.057 1.668 weight 1.000 ! spec=HNH, no=546, id=541, vol=1.630000e+07
assign (resid 65 and name HN) (resid 120 and name HB1) 3.056 3.056 1.668 weight 1.000 ! spec=HNH, no=547, id=542, vol=1.630000e+07
assign (resid 124 and name HN) (resid 17 and name HB1) 3.053 3.053 1.665 weight 1.000 ! spec=HNH, no=551, id=546, vol=1.640000e+07
assign (resid 116 and name HN) (resid 115 and name HB2) 3.052 3.052 1.665 weight 1.000 ! spec=HNH, no=552, id=547, vol=1.640000e+07
assign (resid 11 and name HN) (resid 18 and name HB1) 3.050 3.050 1.663 weight 1.000 ! spec=HNH, no=554, id=549, vol=1.650000e+07
assign (resid 123 and name HE22) (resid 16 and name HE1) 3.049 3.049 1.662 weight 1.000 ! spec=HNH, no=555, id=550, vol=1.650000e+07
assign (resid 114 and name HN) (resid 113 and name HB1) 3.047 3.047 1.66 weight 1.000 ! spec=HNH, no=558, id=553, vol=1.660000e+07
assign (resid 26 and name HN) (resid 29 and name HG2) 3.044 3.044 1.658 weight 1.000 ! spec=HNH, no=561, id=556, vol=1.670000e+07
assign (resid 27 and name HE1) (resid 67 and name HA2) 3.042 3.042 1.657 weight 1.000 ! spec=HNH, no=564, id=559, vol=1.680000e+07
assign (resid 19 and name HN) (resid 122 and name HB1) 3.037 3.037 1.653 weight 1.000 ! spec=HNH, no=566, id=561, vol=1.690000e+07
assign (resid 13 and name HN) (resid 17 and name HA) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=567, id=562, vol=1.700000e+07
assign (resid 123 and name HE21) (resid 43 and name HB2) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=568, id=563, vol=1.700000e+07
assign (resid 69 and name HN) (resid 79 and name HA) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=569, id=564, vol=1.700000e+07
assign (resid 98 and name HN) (resid 96 and name HG21) 3.034 3.034 1.651 weight 1.000 ! spec=HNH, no=571, id=566, vol=1.700000e+07
or (resid 98 and name HN) (resid 96 and name HG22)
or (resid 98 and name HN) (resid 96 and name HG23)
assign (resid 86 and name HD22) (resid 89 and name HG12) 3.032 3.032 1.649 weight 1.000 ! spec=HNH, no=572, id=567, vol=1.710000e+07
or (resid 86 and name HD22) (resid 89 and name HG11)
or (resid 86 and name HD22) (resid 89 and name HG13)
assign (resid 123 and name HE22) (resid 43 and name HG) 3.031 3.031 1.649 weight 1.000 ! spec=HNH, no=574, id=569, vol=1.710000e+07
assign (resid 86 and name HD22) (resid 86 and name HB2) 3.030 3.030 1.648 weight 1.000 ! spec=HNH, no=576, id=571, vol=1.720000e+07
assign (resid 17 and name HN) (resid 125 and name HA) 3.027 3.027 1.646 weight 1.000 ! spec=HNH, no=578, id=573, vol=1.730000e+07
assign (resid 18 and name HN) (resid 17 and name HB1) 3.027 3.027 1.646 weight 1.000 ! spec=HNH, no=579, id=574, vol=1.730000e+07
assign (resid 78 and name HN) (resid 70 and name HA) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=580, id=575, vol=1.730000e+07
assign (resid 42 and name HN) (resid 42 and name HG2) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=581, id=576, vol=1.730000e+07
assign (resid 81 and name HD22) (resid 81 and name HB2) 3.027 3.027 1.645 weight 1.000 ! spec=HNH, no=583, id=578, vol=1.730000e+07
assign (resid 68 and name HN) (resid 67 and name HA2) 3.026 3.026 1.645 weight 1.000 ! spec=HNH, no=584, id=579, vol=1.730000e+07
assign (resid 64 and name HN) (resid 64 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HNH, no=588, id=583, vol=1.730000e+07
assign (resid 10 and name HN) (resid 9 and name HB1) 3.025 3.025 1.644 weight 1.000 ! spec=HNH, no=589, id=584, vol=1.740000e+07
assign (resid 16 and name HN) (resid 15 and name HB2) 3.024 3.024 1.643 weight 1.000 ! spec=HNH, no=591, id=586, vol=1.740000e+07
assign (resid 82 and name HN) (resid 80 and name HA) 3.022 3.022 1.641 weight 1.000 ! spec=HNH, no=594, id=589, vol=1.750000e+07
assign (resid 65 and name HE1) (resid 117 and name HA) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=595, id=590, vol=1.750000e+07
assign (resid 100 and name HN) (resid 99 and name HB1) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=596, id=591, vol=1.750000e+07
assign (resid 102 and name HN) (resid 101 and name HB2) 3.021 3.021 1.641 weight 1.000 ! spec=HNH, no=597, id=592, vol=1.750000e+07
assign (resid 25 and name HN) (resid 120 and name HE3) 3.020 3.020 1.64 weight 1.000 ! spec=HNH, no=599, id=594, vol=1.750000e+07
assign (resid 44 and name HN) (resid 44 and name HB) 3.019 3.019 1.64 weight 1.000 ! spec=HNH, no=600, id=595, vol=1.750000e+07
assign (resid 134 and name HN) (resid 135 and name HN) 3.019 3.019 1.639 weight 1.000 ! spec=HNH, no=601, id=596, vol=1.760000e+07
assign (resid 127 and name HN) (resid 126 and name HD22) 3.018 3.018 1.639 weight 1.000 ! spec=HNH, no=602, id=597, vol=1.760000e+07
or (resid 127 and name HN) (resid 126 and name HD21)
or (resid 127 and name HN) (resid 126 and name HD23)
assign (resid 70 and name HN) (resid 70 and name HB1) 3.018 3.018 1.639 weight 1.000 ! spec=HNH, no=604, id=599, vol=1.760000e+07
assign (resid 81 and name HN) (resid 80 and name HN) 3.018 3.018 1.638 weight 1.000 ! spec=HNH, no=605, id=600, vol=1.760000e+07
assign (resid 100 and name HN) (resid 98 and name HB2) 3.015 3.015 1.636 weight 1.000 ! spec=HNH, no=608, id=603, vol=1.770000e+07
assign (resid 90 and name HN) (resid 91 and name HN) 3.013 3.013 1.635 weight 1.000 ! spec=HNH, no=610, id=605, vol=1.780000e+07
assign (resid 10 and name HE1) (resid 7 and name HB1) 3.012 3.012 1.634 weight 1.000 ! spec=HNH, no=611, id=606, vol=1.780000e+07
assign (resid 120 and name HN) (resid 120 and name HA) 3.010 3.010 1.633 weight 1.000 ! spec=HNH, no=613, id=608, vol=1.790000e+07
assign (resid 65 and name HN) (resid 65 and name HB2) 3.008 3.008 1.631 weight 1.000 ! spec=HNH, no=616, id=611, vol=1.790000e+07
assign (resid 66 and name HN) (resid 65 and name HB2) 3.006 3.006 1.63 weight 1.000 ! spec=HNH, no=618, id=613, vol=1.800000e+07
assign (resid 21 and name HN) (resid 20 and name HB) 3.006 3.006 1.63 weight 1.000 ! spec=HNH, no=619, id=614, vol=1.800000e+07
assign (resid 43 and name HN) (resid 42 and name HB1) 3.006 3.006 1.629 weight 1.000 ! spec=HNH, no=622, id=617, vol=1.800000e+07
assign (resid 79 and name HN) (resid 78 and name HB2) 3.004 3.004 1.628 weight 1.000 ! spec=HNH, no=623, id=618, vol=1.810000e+07
assign (resid 54 and name HN) (resid 53 and name HA) 3.002 3.002 1.627 weight 1.000 ! spec=HNH, no=625, id=620, vol=1.810000e+07
assign (resid 62 and name HN) (resid 61 and name HD1) 2.999 2.999 1.625 weight 1.000 ! spec=HNH, no=627, id=622, vol=1.820000e+07
or (resid 62 and name HN) (resid 61 and name HD2)
assign (resid 104 and name HN) (resid 104 and name HA) 2.997 2.997 1.623 weight 1.000 ! spec=HNH, no=629, id=624, vol=1.830000e+07
assign (resid 17 and name HN) (resid 17 and name HB2) 2.995 2.995 1.621 weight 1.000 ! spec=HNH, no=631, id=626, vol=1.840000e+07
assign (resid 118 and name HN) (resid 118 and name HB2) 2.994 2.994 1.62 weight 1.000 ! spec=HNH, no=632, id=627, vol=1.850000e+07
assign (resid 67 and name HN) (resid 67 and name HA2) 2.994 2.994 1.62 weight 1.000 ! spec=HNH, no=634, id=629, vol=1.850000e+07
assign (resid 42 and name HN) (resid 66 and name HA) 2.993 2.993 1.62 weight 1.000 ! spec=HNH, no=636, id=631, vol=1.850000e+07
assign (resid 97 and name HN) (resid 96 and name HG21) 2.993 2.993 1.619 weight 1.000 ! spec=HNH, no=637, id=632, vol=1.850000e+07
or (resid 97 and name HN) (resid 96 and name HG22)
or (resid 97 and name HN) (resid 96 and name HG23)
assign (resid 81 and name HN) (resid 79 and name HB2) 2.992 2.992 1.619 weight 1.000 ! spec=HNH, no=638, id=633, vol=1.850000e+07
assign (resid 122 and name HN) (resid 19 and name HB2) 2.989 2.989 1.617 weight 1.000 ! spec=HNH, no=639, id=634, vol=1.860000e+07
assign (resid 58 and name HN) (resid 59 and name HN) 2.987 2.987 1.615 weight 1.000 ! spec=HNH, no=642, id=637, vol=1.870000e+07
assign (resid 94 and name HN) (resid 95 and name HA) 2.987 2.987 1.615 weight 1.000 ! spec=HNH, no=643, id=638, vol=1.870000e+07
assign (resid 65 and name HE1) (resid 118 and name HB1) 2.982 2.982 1.611 weight 1.000 ! spec=HNH, no=647, id=642, vol=1.890000e+07
assign (resid 93 and name HN) (resid 93 and name HA) 2.982 2.982 1.611 weight 1.000 ! spec=HNH, no=649, id=644, vol=1.890000e+07
assign (resid 22 and name HN) (resid 21 and name HA) 2.973 2.973 1.605 weight 1.000 ! spec=HNH, no=654, id=649, vol=1.920000e+07
assign (resid 112 and name HN) (resid 112 and name HB1) 2.972 2.972 1.604 weight 1.000 ! spec=HNH, no=655, id=650, vol=1.930000e+07
assign (resid 46 and name HN) (resid 89 and name HG12) 2.972 2.972 1.604 weight 1.000 ! spec=HNH, no=657, id=652, vol=1.930000e+07
or (resid 46 and name HN) (resid 89 and name HG11)
or (resid 46 and name HN) (resid 89 and name HG13)
assign (resid 122 and name HN) (resid 122 and name HA) 2.969 2.969 1.602 weight 1.000 ! spec=HNH, no=659, id=654, vol=1.940000e+07
assign (resid 21 and name HN) (resid 121 and name HG11) 2.966 2.966 1.6 weight 1.000 ! spec=HNH, no=661, id=656, vol=1.950000e+07
assign (resid 50 and name HN) (resid 49 and name HA) 2.963 2.963 1.597 weight 1.000 ! spec=HNH, no=663, id=658, vol=1.960000e+07
assign (resid 47 and name HE22) (resid 89 and name HG22) 2.963 2.963 1.597 weight 1.000 ! spec=HNH, no=664, id=659, vol=1.970000e+07
or (resid 47 and name HE22) (resid 89 and name HG21)
or (resid 47 and name HE22) (resid 89 and name HG23)
assign (resid 81 and name HN) (resid 81 and name HB1) 2.961 2.961 1.596 weight 1.000 ! spec=HNH, no=665, id=660, vol=1.970000e+07
assign (resid 64 and name HN) (resid 104 and name HB) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=666, id=661, vol=1.970000e+07
assign (resid 37 and name HN) (resid 37 and name HD1) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=667, id=662, vol=1.970000e+07
assign (resid 124 and name HN) (resid 10 and name HZ3) 2.960 2.960 1.595 weight 1.000 ! spec=HNH, no=668, id=663, vol=1.980000e+07
assign (resid 66 and name HN) (resid 66 and name HA) 2.959 2.959 1.595 weight 1.000 ! spec=HNH, no=669, id=664, vol=1.980000e+07
assign (resid 86 and name HN) (resid 85 and name HA) 2.958 2.958 1.594 weight 1.000 ! spec=HNH, no=671, id=666, vol=1.980000e+07
assign (resid 59 and name HN) (resid 59 and name HG1) 2.957 2.957 1.593 weight 1.000 ! spec=HNH, no=672, id=667, vol=1.990000e+07
assign (resid 85 and name HN) (resid 85 and name HD12) 2.955 2.955 1.592 weight 1.000 ! spec=HNH, no=673, id=668, vol=2.000000e+07
or (resid 85 and name HN) (resid 85 and name HD11)
or (resid 85 and name HN) (resid 85 and name HD13)
assign (resid 4 and name HN) (resid 4 and name HD12) 2.955 2.955 1.592 weight 1.000 ! spec=HNH, no=674, id=669, vol=2.000000e+07
or (resid 4 and name HN) (resid 4 and name HD11)
or (resid 4 and name HN) (resid 4 and name HD13)
assign (resid 25 and name HD22) (resid 25 and name HB1) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=675, id=670, vol=2.000000e+07
assign (resid 43 and name HN) (resid 43 and name HA) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=676, id=671, vol=2.000000e+07
assign (resid 28 and name HN) (resid 27 and name HA) 2.954 2.954 1.591 weight 1.000 ! spec=HNH, no=677, id=672, vol=2.000000e+07
assign (resid 33 and name HN) (resid 32 and name HA) 2.953 2.953 1.59 weight 1.000 ! spec=HNH, no=679, id=674, vol=2.010000e+07
assign (resid 44 and name HN) (resid 44 and name HG11) 2.951 2.951 1.588 weight 1.000 ! spec=HNH, no=680, id=675, vol=2.010000e+07
assign (resid 86 and name HD21) (resid 89 and name HG12) 2.949 2.949 1.587 weight 1.000 ! spec=HNH, no=682, id=677, vol=2.020000e+07
or (resid 86 and name HD21) (resid 89 and name HG11)
or (resid 86 and name HD21) (resid 89 and name HG13)
assign (resid 42 and name HN) (resid 121 and name HG22) 2.948 2.948 1.586 weight 1.000 ! spec=HNH, no=684, id=679, vol=2.030000e+07
or (resid 42 and name HN) (resid 121 and name HG21)
or (resid 42 and name HN) (resid 121 and name HG23)
assign (resid 82 and name HN) (resid 80 and name HG11) 2.947 2.947 1.585 weight 1.000 ! spec=HNH, no=685, id=680, vol=2.030000e+07
assign (resid 78 and name HN) (resid 68 and name HD22) 2.946 2.946 1.585 weight 1.000 ! spec=HNH, no=687, id=682, vol=2.030000e+07
or (resid 78 and name HN) (resid 68 and name HD21)
or (resid 78 and name HN) (resid 68 and name HD23)
assign (resid 68 and name HN) (resid 66 and name HG12) 2.944 2.944 1.584 weight 1.000 ! spec=HNH, no=688, id=683, vol=2.040000e+07
assign (resid 135 and name HN) (resid 135 and name HG22) 2.943 2.943 1.583 weight 1.000 ! spec=HNH, no=689, id=684, vol=2.050000e+07
or (resid 135 and name HN) (resid 135 and name HG21)
or (resid 135 and name HN) (resid 135 and name HG23)
assign (resid 70 and name HN) (resid 69 and name HB2) 2.943 2.943 1.582 weight 1.000 ! spec=HNH, no=690, id=685, vol=2.050000e+07
assign (resid 61 and name HN) (resid 60 and name HG2) 2.942 2.942 1.582 weight 1.000 ! spec=HNH, no=693, id=688, vol=2.050000e+07
or (resid 61 and name HN) (resid 60 and name HG1)
assign (resid 101 and name HN) (resid 100 and name HB1) 2.940 2.940 1.581 weight 1.000 ! spec=HNH, no=695, id=690, vol=2.060000e+07
assign (resid 123 and name HN) (resid 122 and name HB1) 2.940 2.940 1.58 weight 1.000 ! spec=HNH, no=696, id=691, vol=2.060000e+07
assign (resid 19 and name HN) (resid 19 and name HA) 2.938 2.938 1.579 weight 1.000 ! spec=HNH, no=698, id=693, vol=2.070000e+07
assign (resid 102 and name HN) (resid 68 and name HB2) 2.935 2.935 1.577 weight 1.000 ! spec=HNH, no=699, id=694, vol=2.080000e+07
assign (resid 122 and name HN) (resid 122 and name HB2) 2.934 2.934 1.576 weight 1.000 ! spec=HNH, no=700, id=695, vol=2.080000e+07
assign (resid 78 and name HN) (resid 78 and name HB2) 2.933 2.933 1.576 weight 1.000 ! spec=HNH, no=702, id=697, vol=2.090000e+07
assign (resid 34 and name HN) (resid 31 and name HA) 2.933 2.933 1.575 weight 1.000 ! spec=HNH, no=703, id=698, vol=2.090000e+07
assign (resid 100 and name HN) (resid 70 and name HB2) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=705, id=700, vol=2.090000e+07
assign (resid 32 and name HN) (resid 31 and name HD12) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=706, id=701, vol=2.100000e+07
or (resid 32 and name HN) (resid 31 and name HD11)
or (resid 32 and name HN) (resid 31 and name HD13)
assign (resid 36 and name HN) (resid 35 and name HA) 2.931 2.931 1.574 weight 1.000 ! spec=HNH, no=707, id=702, vol=2.100000e+07
assign (resid 6 and name HN) (resid 126 and name HD12) 2.930 2.930 1.573 weight 1.000 ! spec=HNH, no=709, id=704, vol=2.100000e+07
or (resid 6 and name HN) (resid 126 and name HD11)
or (resid 6 and name HN) (resid 126 and name HD13)
assign (resid 118 and name HN) (resid 118 and name HB1) 2.928 2.928 1.572 weight 1.000 ! spec=HNH, no=712, id=707, vol=2.110000e+07
assign (resid 41 and name HN) (resid 41 and name HD22) 2.927 2.927 1.571 weight 1.000 ! spec=HNH, no=714, id=709, vol=2.110000e+07
or (resid 41 and name HN) (resid 41 and name HD21)
or (resid 41 and name HN) (resid 41 and name HD23)
assign (resid 27 and name HE1) (resid 67 and name HA1) 2.921 2.921 1.567 weight 1.000 ! spec=HNH, no=715, id=710, vol=2.140000e+07
assign (resid 66 and name HN) (resid 66 and name HG12) 2.920 2.920 1.566 weight 1.000 ! spec=HNH, no=718, id=713, vol=2.150000e+07
assign (resid 123 and name HN) (resid 41 and name HA) 2.919 2.919 1.565 weight 1.000 ! spec=HNH, no=719, id=714, vol=2.150000e+07
assign (resid 81 and name HD21) (resid 81 and name HB1) 2.918 2.918 1.565 weight 1.000 ! spec=HNH, no=720, id=715, vol=2.150000e+07
assign (resid 105 and name HN) (resid 104 and name HD12) 2.916 2.916 1.563 weight 1.000 ! spec=HNH, no=721, id=716, vol=2.160000e+07
or (resid 105 and name HN) (resid 104 and name HD11)
or (resid 105 and name HN) (resid 104 and name HD13)
assign (resid 115 and name HD22) (resid 115 and name HB2) 2.915 2.915 1.562 weight 1.000 ! spec=HNH, no=725, id=720, vol=2.170000e+07
assign (resid 68 and name HN) (resid 68 and name HB1) 2.915 2.915 1.562 weight 1.000 ! spec=HNH, no=726, id=721, vol=2.170000e+07
assign (resid 75 and name HN) (resid 74 and name HA) 2.914 2.914 1.562 weight 1.000 ! spec=HNH, no=729, id=724, vol=2.170000e+07
assign (resid 20 and name HN) (resid 20 and name HA) 2.914 2.914 1.561 weight 1.000 ! spec=HNH, no=731, id=726, vol=2.170000e+07
assign (resid 43 and name HN) (resid 42 and name HG1) 2.912 2.912 1.56 weight 1.000 ! spec=HNH, no=733, id=728, vol=2.180000e+07
assign (resid 119 and name HN) (resid 119 and name HB2) 2.910 2.910 1.559 weight 1.000 ! spec=HNH, no=735, id=730, vol=2.190000e+07
assign (resid 81 and name HD21) (resid 81 and name HB2) 2.910 2.910 1.559 weight 1.000 ! spec=HNH, no=736, id=731, vol=2.190000e+07
assign (resid 118 and name HD21) (resid 118 and name HB1) 2.909 2.909 1.558 weight 1.000 ! spec=HNH, no=737, id=732, vol=2.190000e+07
assign (resid 85 and name HN) (resid 85 and name HD22) 2.908 2.908 1.557 weight 1.000 ! spec=HNH, no=738, id=733, vol=2.200000e+07
or (resid 85 and name HN) (resid 85 and name HD21)
or (resid 85 and name HN) (resid 85 and name HD23)
assign (resid 127 and name HN) (resid 126 and name HB1) 2.906 2.906 1.556 weight 1.000 ! spec=HNH, no=742, id=737, vol=2.210000e+07
assign (resid 121 and name HN) (resid 121 and name HA) 2.906 2.906 1.556 weight 1.000 ! spec=HNH, no=743, id=738, vol=2.210000e+07
assign (resid 19 and name HN) (resid 19 and name HB1) 2.905 2.905 1.555 weight 1.000 ! spec=HNH, no=744, id=739, vol=2.210000e+07
assign (resid 47 and name HN) (resid 47 and name HG2) 2.904 2.904 1.554 weight 1.000 ! spec=HNH, no=745, id=740, vol=2.220000e+07
or (resid 47 and name HN) (resid 47 and name HG1)
assign (resid 110 and name HN) (resid 104 and name HA) 2.902 2.902 1.553 weight 1.000 ! spec=HNH, no=746, id=741, vol=2.230000e+07
assign (resid 86 and name HD22) (resid 86 and name HB1) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=747, id=742, vol=2.230000e+07
assign (resid 77 and name HN) (resid 77 and name HA) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=748, id=743, vol=2.230000e+07
assign (resid 123 and name HN) (resid 123 and name HA) 2.901 2.901 1.552 weight 1.000 ! spec=HNH, no=749, id=744, vol=2.230000e+07
assign (resid 108 and name HN) (resid 106 and name HA2) 2.899 2.899 1.55 weight 1.000 ! spec=HNH, no=751, id=746, vol=2.240000e+07
assign (resid 36 and name HN) (resid 33 and name HA) 2.899 2.899 1.55 weight 1.000 ! spec=HNH, no=752, id=747, vol=2.240000e+07
assign (resid 102 and name HN) (resid 77 and name HZ3) 2.898 2.898 1.549 weight 1.000 ! spec=HNH, no=756, id=751, vol=2.240000e+07
assign (resid 119 and name HN) (resid 119 and name HA) 2.895 2.895 1.547 weight 1.000 ! spec=HNH, no=758, id=753, vol=2.260000e+07
assign (resid 80 and name HN) (resid 82 and name HN) 2.894 2.894 1.547 weight 1.000 ! spec=HNH, no=759, id=754, vol=2.260000e+07
assign (resid 74 and name HN) (resid 73 and name HA) 2.894 2.894 1.547 weight 1.000 ! spec=HNH, no=760, id=755, vol=2.260000e+07
assign (resid 97 and name HN) (resid 95 and name HA) 2.893 2.893 1.546 weight 1.000 ! spec=HNH, no=761, id=756, vol=2.260000e+07
assign (resid 77 and name HN) (resid 77 and name HD1) 2.892 2.892 1.546 weight 1.000 ! spec=HNH, no=762, id=757, vol=2.270000e+07
assign (resid 124 and name HN) (resid 124 and name HA) 2.892 2.892 1.545 weight 1.000 ! spec=HNH, no=763, id=758, vol=2.270000e+07
assign (resid 47 and name HN) (resid 48 and name HN) 2.890 2.890 1.544 weight 1.000 ! spec=HNH, no=764, id=759, vol=2.280000e+07
assign (resid 101 and name HN) (resid 101 and name HB1) 2.888 2.888 1.543 weight 1.000 ! spec=HNH, no=769, id=764, vol=2.290000e+07
assign (resid 52 and name HN) (resid 52 and name HD1) 2.883 2.883 1.539 weight 1.000 ! spec=HNH, no=773, id=768, vol=2.310000e+07
or (resid 52 and name HN) (resid 52 and name HD2)
assign (resid 58 and name HN) (resid 57 and name HG22) 2.880 2.880 1.537 weight 1.000 ! spec=HNH, no=774, id=769, vol=2.330000e+07
or (resid 58 and name HN) (resid 57 and name HG21)
or (resid 58 and name HN) (resid 57 and name HG23)
assign (resid 111 and name HN) (resid 111 and name HA) 2.880 2.880 1.537 weight 1.000 ! spec=HNH, no=776, id=771, vol=2.330000e+07
assign (resid 65 and name HN) (resid 65 and name HB1) 2.877 2.877 1.535 weight 1.000 ! spec=HNH, no=777, id=772, vol=2.340000e+07
assign (resid 127 and name HN) (resid 126 and name HB2) 2.876 2.876 1.534 weight 1.000 ! spec=HNH, no=778, id=773, vol=2.350000e+07
assign (resid 94 and name HN) (resid 94 and name HA2) 2.875 2.875 1.533 weight 1.000 ! spec=HNH, no=780, id=775, vol=2.350000e+07
assign (resid 42 and name HN) (resid 122 and name HA) 2.874 2.874 1.533 weight 1.000 ! spec=HNH, no=781, id=776, vol=2.360000e+07
assign (resid 49 and name HN) (resid 44 and name HG22) 2.874 2.874 1.532 weight 1.000 ! spec=HNH, no=782, id=777, vol=2.360000e+07
or (resid 49 and name HN) (resid 44 and name HG21)
or (resid 49 and name HN) (resid 44 and name HG23)
assign (resid 13 and name HN) (resid 13 and name HA) 2.873 2.873 1.532 weight 1.000 ! spec=HNH, no=784, id=779, vol=2.360000e+07
assign (resid 38 and name HN) (resid 35 and name HA) 2.872 2.872 1.531 weight 1.000 ! spec=HNH, no=785, id=780, vol=2.370000e+07
assign (resid 76 and name HN) (resid 75 and name HN) 2.872 2.872 1.531 weight 1.000 ! spec=HNH, no=786, id=781, vol=2.370000e+07
assign (resid 115 and name HD21) (resid 115 and name HB2) 2.871 2.871 1.531 weight 1.000 ! spec=HNH, no=787, id=782, vol=2.370000e+07
assign (resid 120 and name HN) (resid 23 and name HN) 2.870 2.870 1.53 weight 1.000 ! spec=HNH, no=789, id=784, vol=2.380000e+07
assign (resid 102 and name HN) (resid 101 and name HB1) 2.870 2.870 1.53 weight 1.000 ! spec=HNH, no=790, id=785, vol=2.380000e+07
assign (resid 118 and name HD22) (resid 118 and name HB2) 2.870 2.870 1.529 weight 1.000 ! spec=HNH, no=791, id=786, vol=2.380000e+07
assign (resid 70 and name HN) (resid 69 and name HG2) 2.869 2.869 1.529 weight 1.000 ! spec=HNH, no=792, id=787, vol=2.380000e+07
or (resid 70 and name HN) (resid 69 and name HG1)
assign (resid 75 and name HN) (resid 74 and name HN) 2.868 2.868 1.528 weight 1.000 ! spec=HNH, no=793, id=788, vol=2.390000e+07
assign (resid 6 and name HN) (resid 5 and name HG2) 2.868 2.868 1.528 weight 1.000 ! spec=HNH, no=794, id=789, vol=2.390000e+07
or (resid 6 and name HN) (resid 5 and name HG1)
assign (resid 104 and name HN) (resid 104 and name HD12) 2.867 2.867 1.528 weight 1.000 ! spec=HNH, no=795, id=790, vol=2.390000e+07
or (resid 104 and name HN) (resid 104 and name HD11)
or (resid 104 and name HN) (resid 104 and name HD13)
assign (resid 4 and name HN) (resid 15 and name HA) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=796, id=791, vol=2.390000e+07
assign (resid 5 and name HN) (resid 4 and name HN) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=798, id=793, vol=2.390000e+07
assign (resid 9 and name HN) (resid 8 and name HB1) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=799, id=794, vol=2.390000e+07
assign (resid 17 and name HN) (resid 17 and name HA) 2.867 2.867 1.527 weight 1.000 ! spec=HNH, no=800, id=795, vol=2.390000e+07
assign (resid 100 and name HN) (resid 100 and name HA) 2.863 2.863 1.525 weight 1.000 ! spec=HNH, no=804, id=799, vol=2.410000e+07
assign (resid 13 and name HN) (resid 13 and name HB2) 2.863 2.863 1.525 weight 1.000 ! spec=HNH, no=805, id=800, vol=2.410000e+07
assign (resid 101 and name HN) (resid 100 and name HB2) 2.857 2.857 1.521 weight 1.000 ! spec=HNH, no=807, id=802, vol=2.440000e+07
assign (resid 53 and name HN) (resid 53 and name HD22) 2.857 2.857 1.52 weight 1.000 ! spec=HNH, no=808, id=803, vol=2.440000e+07
or (resid 53 and name HN) (resid 53 and name HD21)
or (resid 53 and name HN) (resid 53 and name HD23)
assign (resid 18 and name HN) (resid 18 and name HA) 2.856 2.856 1.519 weight 1.000 ! spec=HNH, no=810, id=805, vol=2.450000e+07
assign (resid 97 and name HN) (resid 98 and name HN) 2.855 2.855 1.519 weight 1.000 ! spec=HNH, no=812, id=807, vol=2.460000e+07
assign (resid 53 and name HN) (resid 52 and name HA) 2.853 2.853 1.518 weight 1.000 ! spec=HNH, no=813, id=808, vol=2.460000e+07
assign (resid 56 and name HN) (resid 54 and name HA) 2.851 2.851 1.516 weight 1.000 ! spec=HNH, no=816, id=811, vol=2.470000e+07
assign (resid 70 and name HN) (resid 70 and name HB2) 2.849 2.849 1.515 weight 1.000 ! spec=HNH, no=817, id=812, vol=2.480000e+07
assign (resid 25 and name HN) (resid 24 and name HB2) 2.846 2.846 1.512 weight 1.000 ! spec=HNH, no=819, id=814, vol=2.500000e+07
assign (resid 21 and name HN) (resid 121 and name HA) 2.843 2.843 1.51 weight 1.000 ! spec=HNH, no=823, id=818, vol=2.520000e+07
assign (resid 97 and name HN) (resid 97 and name HB2) 2.843 2.843 1.51 weight 1.000 ! spec=HNH, no=824, id=819, vol=2.520000e+07
assign (resid 23 and name HN) (resid 21 and name HA) 2.840 2.840 1.509 weight 1.000 ! spec=HNH, no=826, id=821, vol=2.530000e+07
assign (resid 9 and name HN) (resid 9 and name HB2) 2.839 2.839 1.507 weight 1.000 ! spec=HNH, no=828, id=823, vol=2.540000e+07
assign (resid 100 and name HN) (resid 99 and name HN) 2.838 2.838 1.507 weight 1.000 ! spec=HNH, no=829, id=824, vol=2.540000e+07
assign (resid 9 and name HN) (resid 9 and name HB1) 2.838 2.838 1.507 weight 1.000 ! spec=HNH, no=830, id=825, vol=2.540000e+07
assign (resid 121 and name HN) (resid 121 and name HG12) 2.833 2.833 1.504 weight 1.000 ! spec=HNH, no=831, id=826, vol=2.570000e+07
assign (resid 84 and name HN) (resid 84 and name HG21) 2.832 2.832 1.503 weight 1.000 ! spec=HNH, no=834, id=829, vol=2.580000e+07
or (resid 84 and name HN) (resid 84 and name HG22)
or (resid 84 and name HN) (resid 84 and name HG23)
assign (resid 66 and name HN) (resid 65 and name HE3) 2.831 2.831 1.502 weight 1.000 ! spec=HNH, no=835, id=830, vol=2.580000e+07
assign (resid 25 and name HD21) (resid 25 and name HB1) 2.830 2.830 1.501 weight 1.000 ! spec=HNH, no=836, id=831, vol=2.580000e+07
assign (resid 135 and name HN) (resid 135 and name HB) 2.830 2.830 1.501 weight 1.000 ! spec=HNH, no=837, id=832, vol=2.590000e+07
assign (resid 97 and name HN) (resid 97 and name HG2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=838, id=833, vol=2.610000e+07
assign (resid 4 and name HN) (resid 3 and name HB2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=839, id=834, vol=2.610000e+07
or (resid 4 and name HN) (resid 3 and name HB1)
assign (resid 101 and name HN) (resid 101 and name HB2) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=840, id=835, vol=2.610000e+07
assign (resid 94 and name HN) (resid 94 and name HA1) 2.826 2.826 1.498 weight 1.000 ! spec=HNH, no=841, id=836, vol=2.610000e+07
assign (resid 96 and name HN) (resid 95 and name HB1) 2.825 2.825 1.498 weight 1.000 ! spec=HNH, no=842, id=837, vol=2.610000e+07
assign (resid 53 and name HN) (resid 50 and name HA) 2.825 2.825 1.497 weight 1.000 ! spec=HNH, no=843, id=838, vol=2.620000e+07
assign (resid 120 and name HN) (resid 21 and name HB1) 2.824 2.824 1.497 weight 1.000 ! spec=HNH, no=844, id=839, vol=2.620000e+07
assign (resid 121 and name HN) (resid 120 and name HB2) 2.823 2.823 1.496 weight 1.000 ! spec=HNH, no=847, id=842, vol=2.630000e+07
assign (resid 120 and name HN) (resid 21 and name HN) 2.822 2.822 1.495 weight 1.000 ! spec=HNH, no=848, id=843, vol=2.630000e+07
assign (resid 123 and name HE22) (resid 43 and name HB2) 2.822 2.822 1.495 weight 1.000 ! spec=HNH, no=849, id=844, vol=2.630000e+07
assign (resid 108 and name HN) (resid 104 and name HG22) 2.821 2.821 1.495 weight 1.000 ! spec=HNH, no=850, id=845, vol=2.630000e+07
or (resid 108 and name HN) (resid 104 and name HG21)
or (resid 108 and name HN) (resid 104 and name HG23)
assign (resid 50 and name HN) (resid 50 and name HG) 2.821 2.821 1.495 weight 1.000 ! spec=HNH, no=851, id=846, vol=2.630000e+07
assign (resid 81 and name HN) (resid 79 and name HB1) 2.820 2.820 1.494 weight 1.000 ! spec=HNH, no=852, id=847, vol=2.640000e+07
assign (resid 80 and name HN) (resid 80 and name HB) 2.818 2.818 1.493 weight 1.000 ! spec=HNH, no=854, id=849, vol=2.650000e+07
assign (resid 69 and name HE) (resid 69 and name HG2) 2.813 2.813 1.489 weight 1.000 ! spec=HNH, no=855, id=850, vol=2.680000e+07
or (resid 69 and name HE) (resid 69 and name HG1)
assign (resid 3 and name HN) (resid 3 and name HB2) 2.811 2.811 1.487 weight 1.000 ! spec=HNH, no=856, id=851, vol=2.700000e+07
or (resid 3 and name HN) (resid 3 and name HB1)
assign (resid 71 and name HN) (resid 71 and name HG21) 2.809 2.809 1.487 weight 1.000 ! spec=HNH, no=857, id=852, vol=2.700000e+07
or (resid 71 and name HN) (resid 71 and name HG22)
or (resid 71 and name HN) (resid 71 and name HG23)
assign (resid 28 and name HN) (resid 27 and name HB1) 2.807 2.807 1.485 weight 1.000 ! spec=HNH, no=859, id=854, vol=2.720000e+07
assign (resid 77 and name HN) (resid 77 and name HB1) 2.806 2.806 1.484 weight 1.000 ! spec=HNH, no=861, id=856, vol=2.720000e+07
assign (resid 79 and name HN) (resid 79 and name HB2) 2.802 2.802 1.482 weight 1.000 ! spec=HNH, no=863, id=858, vol=2.740000e+07
assign (resid 118 and name HN) (resid 117 and name HB2) 2.802 2.802 1.481 weight 1.000 ! spec=HNH, no=864, id=859, vol=2.750000e+07
or (resid 118 and name HN) (resid 117 and name HB1)
assign (resid 119 and name HN) (resid 118 and name HB1) 2.799 2.799 1.479 weight 1.000 ! spec=HNH, no=866, id=861, vol=2.770000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.797 2.797 1.478 weight 1.000 ! spec=HNH, no=867, id=862, vol=2.770000e+07
assign (resid 75 and name HN) (resid 75 and name HG2) 2.796 2.796 1.477 weight 1.000 ! spec=HNH, no=869, id=864, vol=2.780000e+07
assign (resid 123 and name HN) (resid 122 and name HB2) 2.795 2.795 1.476 weight 1.000 ! spec=HNH, no=871, id=866, vol=2.790000e+07
assign (resid 29 and name HN) (resid 29 and name HG2) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=873, id=868, vol=2.810000e+07
assign (resid 119 and name HN) (resid 119 and name HG2) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=874, id=869, vol=2.810000e+07
assign (resid 102 and name HN) (resid 102 and name HA) 2.791 2.791 1.474 weight 1.000 ! spec=HNH, no=875, id=870, vol=2.810000e+07
assign (resid 9 and name HN) (resid 8 and name HB2) 2.790 2.790 1.473 weight 1.000 ! spec=HNH, no=876, id=871, vol=2.820000e+07
assign (resid 27 and name HN) (resid 65 and name HE1) 2.789 2.789 1.473 weight 1.000 ! spec=HNH, no=877, id=872, vol=2.820000e+07
assign (resid 49 and name HN) (resid 48 and name HA) 2.788 2.788 1.471 weight 1.000 ! spec=HNH, no=878, id=873, vol=2.830000e+07
assign (resid 115 and name HD22) (resid 115 and name HB1) 2.787 2.787 1.471 weight 1.000 ! spec=HNH, no=880, id=875, vol=2.830000e+07
assign (resid 39 and name HN) (resid 37 and name HN) 2.787 2.787 1.471 weight 1.000 ! spec=HNH, no=881, id=876, vol=2.840000e+07
assign (resid 64 and name HN) (resid 104 and name HN) 2.786 2.786 1.471 weight 1.000 ! spec=HNH, no=883, id=878, vol=2.840000e+07
assign (resid 92 and name HN) (resid 92 and name HG22) 2.784 2.784 1.469 weight 1.000 ! spec=HNH, no=885, id=880, vol=2.850000e+07
or (resid 92 and name HN) (resid 92 and name HG21)
or (resid 92 and name HN) (resid 92 and name HG23)
assign (resid 114 and name HN) (resid 100 and name HA) 2.784 2.784 1.469 weight 1.000 ! spec=HNH, no=886, id=881, vol=2.850000e+07
assign (resid 11 and name HN) (resid 11 and name HA) 2.782 2.782 1.467 weight 1.000 ! spec=HNH, no=888, id=883, vol=2.870000e+07
assign (resid 21 and name HN) (resid 21 and name HB2) 2.781 2.781 1.466 weight 1.000 ! spec=HNH, no=889, id=884, vol=2.870000e+07
assign (resid 56 and name HN) (resid 55 and name HB1) 2.780 2.780 1.466 weight 1.000 ! spec=HNH, no=891, id=886, vol=2.880000e+07
assign (resid 68 and name HN) (resid 68 and name HB2) 2.779 2.779 1.466 weight 1.000 ! spec=HNH, no=892, id=887, vol=2.880000e+07
assign (resid 66 and name HN) (resid 103 and name HA) 2.779 2.779 1.465 weight 1.000 ! spec=HNH, no=893, id=888, vol=2.890000e+07
assign (resid 108 and name HN) (resid 108 and name HD2) 2.778 2.778 1.465 weight 1.000 ! spec=HNH, no=895, id=890, vol=2.890000e+07
or (resid 108 and name HN) (resid 108 and name HD1)
assign (resid 14 and name HN) (resid 13 and name HA) 2.777 2.777 1.464 weight 1.000 ! spec=HNH, no=896, id=891, vol=2.900000e+07
assign (resid 19 and name HN) (resid 122 and name HN) 2.776 2.776 1.464 weight 1.000 ! spec=HNH, no=897, id=892, vol=2.900000e+07
assign (resid 17 and name HN) (resid 16 and name HB2) 2.776 2.776 1.463 weight 1.000 ! spec=HNH, no=898, id=893, vol=2.900000e+07
assign (resid 57 and name HN) (resid 57 and name HD12) 2.776 2.776 1.463 weight 1.000 ! spec=HNH, no=899, id=894, vol=2.900000e+07
or (resid 57 and name HN) (resid 57 and name HD11)
or (resid 57 and name HN) (resid 57 and name HD13)
assign (resid 53 and name HN) (resid 52 and name HD1) 2.775 2.775 1.463 weight 1.000 ! spec=HNH, no=901, id=896, vol=2.910000e+07
or (resid 53 and name HN) (resid 52 and name HD2)
assign (resid 109 and name HN) (resid 109 and name HG22) 2.774 2.774 1.462 weight 1.000 ! spec=HNH, no=904, id=899, vol=2.920000e+07
or (resid 109 and name HN) (resid 109 and name HG21)
or (resid 109 and name HN) (resid 109 and name HG23)
assign (resid 121 and name HN) (resid 121 and name HG22) 2.772 2.772 1.461 weight 1.000 ! spec=HNH, no=907, id=902, vol=2.930000e+07
or (resid 121 and name HN) (resid 121 and name HG21)
or (resid 121 and name HN) (resid 121 and name HG23)
assign (resid 98 and name HD21) (resid 98 and name HB2) 2.771 2.771 1.46 weight 1.000 ! spec=HNH, no=908, id=903, vol=2.930000e+07
assign (resid 120 and name HE1) (resid 33 and name HB1) 2.771 2.771 1.46 weight 1.000 ! spec=HNH, no=909, id=904, vol=2.940000e+07
assign (resid 112 and name HN) (resid 112 and name HG2) 2.767 2.767 1.457 weight 1.000 ! spec=HNH, no=911, id=906, vol=2.960000e+07
assign (resid 63 and name HN) (resid 63 and name HA) 2.766 2.766 1.457 weight 1.000 ! spec=HNH, no=912, id=907, vol=2.970000e+07
assign (resid 32 and name HN) (resid 29 and name HA) 2.762 2.762 1.454 weight 1.000 ! spec=HNH, no=918, id=913, vol=2.990000e+07
assign (resid 43 and name HN) (resid 123 and name HG2) 2.761 2.761 1.453 weight 1.000 ! spec=HNH, no=919, id=914, vol=3.000000e+07
assign (resid 60 and name HN) (resid 60 and name HA) 2.761 2.761 1.453 weight 1.000 ! spec=HNH, no=920, id=915, vol=3.000000e+07
assign (resid 124 and name HN) (resid 124 and name HB2) 2.760 2.760 1.452 weight 1.000 ! spec=HNH, no=921, id=916, vol=3.010000e+07
assign (resid 57 and name HN) (resid 56 and name HA) 2.759 2.759 1.451 weight 1.000 ! spec=HNH, no=922, id=917, vol=3.010000e+07
assign (resid 18 and name HN) (resid 11 and name HN) 2.758 2.758 1.451 weight 1.000 ! spec=HNH, no=923, id=918, vol=3.020000e+07
assign (resid 56 and name HN) (resid 55 and name HA) 2.758 2.758 1.451 weight 1.000 ! spec=HNH, no=924, id=919, vol=3.020000e+07
assign (resid 65 and name HE1) (resid 26 and name HA) 2.756 2.756 1.449 weight 1.000 ! spec=HNH, no=925, id=920, vol=3.030000e+07
assign (resid 25 and name HD22) (resid 25 and name HB2) 2.756 2.756 1.449 weight 1.000 ! spec=HNH, no=926, id=921, vol=3.030000e+07
assign (resid 100 and name HN) (resid 100 and name HB1) 2.754 2.754 1.448 weight 1.000 ! spec=HNH, no=928, id=923, vol=3.050000e+07
assign (resid 85 and name HN) (resid 78 and name HA) 2.750 2.750 1.445 weight 1.000 ! spec=HNH, no=929, id=924, vol=3.070000e+07
assign (resid 18 and name HN) (resid 17 and name HB2) 2.748 2.748 1.444 weight 1.000 ! spec=HNH, no=931, id=926, vol=3.080000e+07
assign (resid 126 and name HN) (resid 125 and name HB2) 2.748 2.748 1.444 weight 1.000 ! spec=HNH, no=932, id=927, vol=3.090000e+07
assign (resid 60 and name HN) (resid 59 and name HB2) 2.747 2.747 1.444 weight 1.000 ! spec=HNH, no=933, id=928, vol=3.090000e+07
assign (resid 28 and name HN) (resid 26 and name HB) 2.747 2.747 1.443 weight 1.000 ! spec=HNH, no=934, id=929, vol=3.090000e+07
assign (resid 17 and name HN) (resid 17 and name HB1) 2.747 2.747 1.443 weight 1.000 ! spec=HNH, no=935, id=930, vol=3.090000e+07
assign (resid 67 and name HN) (resid 66 and name HG22) 2.746 2.746 1.443 weight 1.000 ! spec=HNH, no=937, id=932, vol=3.100000e+07
or (resid 67 and name HN) (resid 66 and name HG21)
or (resid 67 and name HN) (resid 66 and name HG23)
assign (resid 119 and name HN) (resid 119 and name HG1) 2.745 2.745 1.442 weight 1.000 ! spec=HNH, no=939, id=934, vol=3.100000e+07
assign (resid 32 and name HN) (resid 31 and name HB1) 2.745 2.745 1.442 weight 1.000 ! spec=HNH, no=940, id=935, vol=3.110000e+07
assign (resid 114 and name HN) (resid 114 and name HB2) 2.743 2.743 1.441 weight 1.000 ! spec=HNH, no=943, id=938, vol=3.120000e+07
assign (resid 120 and name HN) (resid 119 and name HB1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=944, id=939, vol=3.120000e+07
assign (resid 122 and name HN) (resid 122 and name HB1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=945, id=940, vol=3.120000e+07
assign (resid 111 and name HN) (resid 111 and name HD1) 2.742 2.742 1.44 weight 1.000 ! spec=HNH, no=946, id=941, vol=3.130000e+07
or (resid 111 and name HN) (resid 111 and name HD2)
assign (resid 53 and name HN) (resid 54 and name HG) 2.741 2.741 1.439 weight 1.000 ! spec=HNH, no=948, id=943, vol=3.130000e+07
assign (resid 118 and name HD22) (resid 118 and name HB1) 2.740 2.740 1.438 weight 1.000 ! spec=HNH, no=950, id=945, vol=3.140000e+07
assign (resid 13 and name HN) (resid 12 and name HB2) 2.738 2.738 1.437 weight 1.000 ! spec=HNH, no=951, id=946, vol=3.150000e+07
or (resid 13 and name HN) (resid 12 and name HB1)
assign (resid 24 and name HN) (resid 24 and name HA) 2.738 2.738 1.437 weight 1.000 ! spec=HNH, no=952, id=947, vol=3.150000e+07
assign (resid 25 and name HN) (resid 24 and name HB1) 2.736 2.736 1.436 weight 1.000 ! spec=HNH, no=953, id=948, vol=3.170000e+07
assign (resid 67 and name HN) (resid 67 and name HA1) 2.733 2.733 1.433 weight 1.000 ! spec=HNH, no=954, id=949, vol=3.190000e+07
assign (resid 34 and name HN) (resid 36 and name HN) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=955, id=950, vol=3.190000e+07
assign (resid 42 and name HN) (resid 121 and name HB) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=957, id=952, vol=3.190000e+07
assign (resid 43 and name HN) (resid 43 and name HB2) 2.732 2.732 1.433 weight 1.000 ! spec=HNH, no=958, id=953, vol=3.200000e+07
assign (resid 131 and name HN) (resid 131 and name HB2) 2.731 2.731 1.432 weight 1.000 ! spec=HNH, no=959, id=954, vol=3.200000e+07
or (resid 131 and name HN) (resid 131 and name HB1)
assign (resid 107 and name HN) (resid 107 and name HB1) 2.731 2.731 1.432 weight 1.000 ! spec=HNH, no=960, id=955, vol=3.200000e+07
assign (resid 130 and name HN) (resid 129 and name HA) 2.730 2.730 1.432 weight 1.000 ! spec=HNH, no=962, id=957, vol=3.210000e+07
assign (resid 62 and name HN) (resid 61 and name HA) 2.730 2.730 1.431 weight 1.000 ! spec=HNH, no=963, id=958, vol=3.210000e+07
assign (resid 22 and name HN) (resid 23 and name HN) 2.727 2.727 1.429 weight 1.000 ! spec=HNH, no=967, id=962, vol=3.230000e+07
assign (resid 83 and name HN) (resid 82 and name HA2) 2.726 2.726 1.429 weight 1.000 ! spec=HNH, no=968, id=963, vol=3.240000e+07
assign (resid 86 and name HD21) (resid 86 and name HB2) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=969, id=964, vol=3.240000e+07
assign (resid 64 and name HN) (resid 103 and name HB2) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=970, id=965, vol=3.240000e+07
or (resid 64 and name HN) (resid 103 and name HB1)
or (resid 64 and name HN) (resid 103 and name HB3)
assign (resid 105 and name HN) (resid 108 and name HN) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=971, id=966, vol=3.240000e+07
assign (resid 18 and name HN) (resid 18 and name HD1) 2.725 2.725 1.428 weight 1.000 ! spec=HNH, no=972, id=967, vol=3.250000e+07
or (resid 18 and name HN) (resid 18 and name HD2)
assign (resid 115 and name HD21) (resid 113 and name HA) 2.724 2.724 1.428 weight 1.000 ! spec=HNH, no=973, id=968, vol=3.250000e+07
assign (resid 35 and name HN) (resid 32 and name HA) 2.724 2.724 1.427 weight 1.000 ! spec=HNH, no=974, id=969, vol=3.260000e+07
assign (resid 64 and name HN) (resid 64 and name HB2) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=976, id=971, vol=3.280000e+07
assign (resid 6 and name HN) (resid 5 and name HB1) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=977, id=972, vol=3.280000e+07
assign (resid 75 and name HN) (resid 72 and name HA) 2.721 2.721 1.425 weight 1.000 ! spec=HNH, no=978, id=973, vol=3.280000e+07
assign (resid 78 and name HN) (resid 78 and name HB1) 2.719 2.719 1.424 weight 1.000 ! spec=HNH, no=980, id=975, vol=3.290000e+07
assign (resid 119 and name HE) (resid 64 and name HE1) 2.719 2.719 1.424 weight 1.000 ! spec=HNH, no=981, id=976, vol=3.290000e+07
or (resid 119 and name HE) (resid 64 and name HE2)
assign (resid 115 and name HD21) (resid 115 and name HB1) 2.718 2.718 1.424 weight 1.000 ! spec=HNH, no=982, id=977, vol=3.290000e+07
assign (resid 49 and name HN) (resid 51 and name HN) 2.715 2.715 1.422 weight 1.000 ! spec=HNH, no=984, id=979, vol=3.320000e+07
assign (resid 14 and name HN) (resid 14 and name HA) 2.715 2.715 1.422 weight 1.000 ! spec=HNH, no=985, id=980, vol=3.320000e+07
assign (resid 61 and name HN) (resid 61 and name HB2) 2.714 2.714 1.421 weight 1.000 ! spec=HNH, no=987, id=982, vol=3.320000e+07
assign (resid 72 and name HN) (resid 72 and name HA) 2.710 2.710 1.418 weight 1.000 ! spec=HNH, no=991, id=986, vol=3.350000e+07
assign (resid 62 and name HD22) (resid 62 and name HB2) 2.709 2.709 1.417 weight 1.000 ! spec=HNH, no=994, id=989, vol=3.360000e+07
or (resid 62 and name HD22) (resid 62 and name HB1)
assign (resid 59 and name HN) (resid 58 and name HA) 2.707 2.707 1.416 weight 1.000 ! spec=HNH, no=997, id=992, vol=3.370000e+07
assign (resid 38 and name HN) (resid 37 and name HA) 2.707 2.707 1.416 weight 1.000 ! spec=HNH, no=998, id=993, vol=3.380000e+07
assign (resid 12 and name HN) (resid 11 and name HD12) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=999, id=994, vol=3.390000e+07
or (resid 12 and name HN) (resid 11 and name HD11)
or (resid 12 and name HN) (resid 11 and name HD13)
assign (resid 8 and name HE21) (resid 8 and name HG2) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=1000, id=995, vol=3.390000e+07
or (resid 8 and name HE21) (resid 8 and name HG1)
assign (resid 89 and name HN) (resid 88 and name HB2) 2.705 2.705 1.415 weight 1.000 ! spec=HNH, no=1001, id=996, vol=3.390000e+07
or (resid 89 and name HN) (resid 88 and name HB1)
assign (resid 31 and name HN) (resid 30 and name HA1) 2.705 2.705 1.414 weight 1.000 ! spec=HNH, no=1002, id=997, vol=3.390000e+07
assign (resid 59 and name HN) (resid 59 and name HA) 2.704 2.704 1.414 weight 1.000 ! spec=HNH, no=1005, id=1000, vol=3.400000e+07
assign (resid 127 and name HN) (resid 127 and name HB2) 2.703 2.703 1.413 weight 1.000 ! spec=HNH, no=1008, id=1002, vol=3.410000e+07
assign (resid 112 and name HN) (resid 112 and name HA) 2.697 2.697 1.409 weight 1.000 ! spec=HNH, no=1009, id=1003, vol=3.450000e+07
assign (resid 18 and name HN) (resid 11 and name HB2) 2.696 2.696 1.409 weight 1.000 ! spec=HNH, no=1010, id=1004, vol=3.460000e+07
or (resid 18 and name HN) (resid 11 and name HB1)
assign (resid 96 and name HN) (resid 96 and name HB) 2.696 2.696 1.409 weight 1.000 ! spec=HNH, no=1011, id=1005, vol=3.460000e+07
assign (resid 115 and name HD22) (resid 113 and name HA) 2.696 2.696 1.408 weight 1.000 ! spec=HNH, no=1012, id=1006, vol=3.460000e+07
assign (resid 23 and name HN) (resid 21 and name HB2) 2.695 2.695 1.408 weight 1.000 ! spec=HNH, no=1013, id=1007, vol=3.470000e+07
assign (resid 72 and name HN) (resid 71 and name HB) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1016, id=1010, vol=3.490000e+07
assign (resid 12 and name HN) (resid 12 and name HA) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1017, id=1011, vol=3.490000e+07
assign (resid 18 and name HN) (resid 18 and name HB1) 2.692 2.692 1.406 weight 1.000 ! spec=HNH, no=1018, id=1012, vol=3.490000e+07
assign (resid 22 and name HE22) (resid 62 and name HD21) 2.691 2.691 1.405 weight 1.000 ! spec=HNH, no=1019, id=1013, vol=3.500000e+07
assign (resid 48 and name HN) (resid 46 and name HB2) 2.690 2.690 1.404 weight 1.000 ! spec=HNH, no=1020, id=1014, vol=3.510000e+07
or (resid 48 and name HN) (resid 46 and name HB1)
assign (resid 105 and name HN) (resid 110 and name HG21) 2.690 2.690 1.404 weight 1.000 ! spec=HNH, no=1021, id=1015, vol=3.510000e+07
or (resid 105 and name HN) (resid 110 and name HG22)
or (resid 105 and name HN) (resid 110 and name HG23)
assign (resid 26 and name HN) (resid 26 and name HA) 2.689 2.689 1.404 weight 1.000 ! spec=HNH, no=1022, id=1016, vol=3.510000e+07
assign (resid 104 and name HN) (resid 66 and name HG22) 2.689 2.689 1.404 weight 1.000 ! spec=HNH, no=1023, id=1017, vol=3.520000e+07
or (resid 104 and name HN) (resid 66 and name HG21)
or (resid 104 and name HN) (resid 66 and name HG23)
assign (resid 16 and name HN) (resid 16 and name HA) 2.685 2.685 1.401 weight 1.000 ! spec=HNH, no=1025, id=1019, vol=3.540000e+07
assign (resid 104 and name HN) (resid 104 and name HG22) 2.681 2.681 1.399 weight 1.000 ! spec=HNH, no=1028, id=1021, vol=3.580000e+07
or (resid 104 and name HN) (resid 104 and name HG21)
or (resid 104 and name HN) (resid 104 and name HG23)
assign (resid 26 and name HN) (resid 25 and name HB2) 2.681 2.681 1.398 weight 1.000 ! spec=HNH, no=1029, id=1022, vol=3.580000e+07
assign (resid 66 and name HN) (resid 66 and name HD12) 2.681 2.681 1.398 weight 1.000 ! spec=HNH, no=1030, id=1023, vol=3.580000e+07
or (resid 66 and name HN) (resid 66 and name HD11)
or (resid 66 and name HN) (resid 66 and name HD13)
assign (resid 46 and name HN) (resid 46 and name HB2) 2.677 2.677 1.396 weight 1.000 ! spec=HNH, no=1032, id=1025, vol=3.610000e+07
or (resid 46 and name HN) (resid 46 and name HB1)
assign (resid 84 and name HN) (resid 83 and name HB1) 2.677 2.677 1.396 weight 1.000 ! spec=HNH, no=1033, id=1026, vol=3.610000e+07
assign (resid 25 and name HN) (resid 25 and name HA) 2.674 2.674 1.394 weight 1.000 ! spec=HNH, no=1034, id=1027, vol=3.630000e+07
assign (resid 97 and name HN) (resid 97 and name HB1) 2.674 2.674 1.394 weight 1.000 ! spec=HNH, no=1035, id=1028, vol=3.630000e+07
assign (resid 31 and name HN) (resid 41 and name HD22) 2.672 2.672 1.392 weight 1.000 ! spec=HNH, no=1038, id=1031, vol=3.650000e+07
or (resid 31 and name HN) (resid 41 and name HD21)
or (resid 31 and name HN) (resid 41 and name HD23)
assign (resid 60 and name HN) (resid 60 and name HG2) 2.671 2.671 1.392 weight 1.000 ! spec=HNH, no=1039, id=1032, vol=3.660000e+07
or (resid 60 and name HN) (resid 60 and name HG1)
assign (resid 115 and name HN) (resid 113 and name HA) 2.670 2.670 1.391 weight 1.000 ! spec=HNH, no=1040, id=1033, vol=3.660000e+07
assign (resid 25 and name HD21) (resid 25 and name HB2) 2.670 2.670 1.391 weight 1.000 ! spec=HNH, no=1041, id=1034, vol=3.670000e+07
assign (resid 115 and name HN) (resid 115 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1044, id=1037, vol=3.680000e+07
assign (resid 117 and name HN) (resid 117 and name HA) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1045, id=1038, vol=3.690000e+07
assign (resid 8 and name HE22) (resid 8 and name HG2) 2.668 2.668 1.39 weight 1.000 ! spec=HNH, no=1046, id=1039, vol=3.690000e+07
or (resid 8 and name HE22) (resid 8 and name HG1)
assign (resid 89 and name HN) (resid 89 and name HG22) 2.667 2.667 1.389 weight 1.000 ! spec=HNH, no=1047, id=1040, vol=3.690000e+07
or (resid 89 and name HN) (resid 89 and name HG21)
or (resid 89 and name HN) (resid 89 and name HG23)
assign (resid 4 and name HN) (resid 3 and name HG2) 2.667 2.667 1.389 weight 1.000 ! spec=HNH, no=1049, id=1042, vol=3.690000e+07
or (resid 4 and name HN) (resid 3 and name HG1)
assign (resid 58 and name HN) (resid 58 and name HA) 2.666 2.666 1.388 weight 1.000 ! spec=HNH, no=1053, id=1046, vol=3.700000e+07
assign (resid 47 and name HN) (resid 46 and name HA) 2.665 2.665 1.388 weight 1.000 ! spec=HNH, no=1054, id=1047, vol=3.710000e+07
assign (resid 119 and name HN) (resid 119 and name HB1) 2.663 2.663 1.386 weight 1.000 ! spec=HNH, no=1058, id=1051, vol=3.730000e+07
assign (resid 127 and name HN) (resid 126 and name HN) 2.660 2.660 1.384 weight 1.000 ! spec=HNH, no=1060, id=1053, vol=3.750000e+07
assign (resid 91 and name HN) (resid 90 and name HD22) 2.658 2.658 1.383 weight 1.000 ! spec=HNH, no=1061, id=1054, vol=3.760000e+07
or (resid 91 and name HN) (resid 90 and name HD21)
or (resid 91 and name HN) (resid 90 and name HD23)
or (resid 91 and name HN) (resid 90 and name HD12)
or (resid 91 and name HN) (resid 90 and name HD11)
or (resid 91 and name HN) (resid 90 and name HD13)
assign (resid 126 and name HN) (resid 126 and name HD22) 2.655 2.655 1.381 weight 1.000 ! spec=HNH, no=1064, id=1057, vol=3.790000e+07
or (resid 126 and name HN) (resid 126 and name HD21)
or (resid 126 and name HN) (resid 126 and name HD23)
assign (resid 72 and name HN) (resid 72 and name HB1) 2.651 2.651 1.379 weight 1.000 ! spec=HNH, no=1067, id=1060, vol=3.820000e+07
assign (resid 98 and name HD21) (resid 98 and name HB1) 2.651 2.651 1.378 weight 1.000 ! spec=HNH, no=1068, id=1061, vol=3.830000e+07
assign (resid 61 and name HN) (resid 60 and name HA) 2.648 2.648 1.377 weight 1.000 ! spec=HNH, no=1071, id=1064, vol=3.850000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 2.648 2.648 1.376 weight 1.000 ! spec=HNH, no=1072, id=1065, vol=3.860000e+07
or (resid 30 and name HN) (resid 29 and name HB1)
assign (resid 16 and name HN) (resid 15 and name HA) 2.646 2.646 1.375 weight 1.000 ! spec=HNH, no=1074, id=1067, vol=3.870000e+07
assign (resid 110 and name HN) (resid 109 and name HG12) 2.645 2.645 1.375 weight 1.000 ! spec=HNH, no=1075, id=1068, vol=3.880000e+07
or (resid 110 and name HN) (resid 109 and name HG11)
or (resid 110 and name HN) (resid 109 and name HG13)
assign (resid 19 and name HN) (resid 19 and name HB2) 2.643 2.643 1.373 weight 1.000 ! spec=HNH, no=1077, id=1070, vol=3.890000e+07
assign (resid 124 and name HN) (resid 17 and name HN) 2.642 2.642 1.373 weight 1.000 ! spec=HNH, no=1078, id=1071, vol=3.910000e+07
assign (resid 37 and name HN) (resid 37 and name HB2) 2.642 2.642 1.373 weight 1.000 ! spec=HNH, no=1079, id=1072, vol=3.910000e+07
assign (resid 76 and name HN) (resid 75 and name HA) 2.641 2.641 1.372 weight 1.000 ! spec=HNH, no=1080, id=1073, vol=3.910000e+07
assign (resid 67 and name HN) (resid 66 and name HB) 2.639 2.639 1.371 weight 1.000 ! spec=HNH, no=1081, id=1074, vol=3.930000e+07
assign (resid 69 and name HN) (resid 69 and name HG2) 2.639 2.639 1.37 weight 1.000 ! spec=HNH, no=1082, id=1075, vol=3.930000e+07
or (resid 69 and name HN) (resid 69 and name HG1)
assign (resid 96 and name HN) (resid 95 and name HB2) 2.632 2.632 1.366 weight 1.000 ! spec=HNH, no=1085, id=1078, vol=4.000000e+07
assign (resid 77 and name HE1) (resid 92 and name HG22) 2.631 2.631 1.365 weight 1.000 ! spec=HNH, no=1086, id=1079, vol=4.000000e+07
or (resid 77 and name HE1) (resid 92 and name HG21)
or (resid 77 and name HE1) (resid 92 and name HG23)
assign (resid 72 and name HN) (resid 71 and name HG21) 2.630 2.630 1.365 weight 1.000 ! spec=HNH, no=1087, id=1080, vol=4.010000e+07
or (resid 72 and name HN) (resid 71 and name HG22)
or (resid 72 and name HN) (resid 71 and name HG23)
assign (resid 61 and name HN) (resid 61 and name HB1) 2.629 2.629 1.364 weight 1.000 ! spec=HNH, no=1089, id=1082, vol=4.020000e+07
assign (resid 51 and name HN) (resid 50 and name HB1) 2.628 2.628 1.363 weight 1.000 ! spec=HNH, no=1091, id=1084, vol=4.030000e+07
assign (resid 47 and name HE21) (resid 47 and name HG2) 2.625 2.625 1.362 weight 1.000 ! spec=HNH, no=1092, id=1085, vol=4.060000e+07
or (resid 47 and name HE21) (resid 47 and name HG1)
assign (resid 59 and name HN) (resid 59 and name HB2) 2.623 2.623 1.36 weight 1.000 ! spec=HNH, no=1095, id=1088, vol=4.080000e+07
assign (resid 86 and name HD21) (resid 86 and name HB1) 2.622 2.622 1.359 weight 1.000 ! spec=HNH, no=1096, id=1089, vol=4.090000e+07
assign (resid 112 and name HN) (resid 111 and name HB2) 2.622 2.622 1.359 weight 1.000 ! spec=HNH, no=1097, id=1090, vol=4.090000e+07
assign (resid 55 and name HN) (resid 54 and name HB1) 2.619 2.619 1.358 weight 1.000 ! spec=HNH, no=1098, id=1091, vol=4.120000e+07
assign (resid 114 and name HN) (resid 114 and name HA) 2.618 2.618 1.357 weight 1.000 ! spec=HNH, no=1100, id=1093, vol=4.120000e+07
assign (resid 41 and name HN) (resid 40 and name HB) 2.617 2.617 1.356 weight 1.000 ! spec=HNH, no=1102, id=1095, vol=4.140000e+07
assign (resid 37 and name HN) (resid 36 and name HA1) 2.615 2.615 1.355 weight 1.000 ! spec=HNH, no=1103, id=1096, vol=4.150000e+07
assign (resid 70 and name HN) (resid 69 and name HA) 2.614 2.614 1.354 weight 1.000 ! spec=HNH, no=1105, id=1098, vol=4.160000e+07
assign (resid 77 and name HN) (resid 77 and name HB2) 2.608 2.608 1.35 weight 1.000 ! spec=HNH, no=1110, id=1103, vol=4.230000e+07
assign (resid 96 and name HN) (resid 96 and name HA) 2.607 2.607 1.35 weight 1.000 ! spec=HNH, no=1111, id=1104, vol=4.230000e+07
assign (resid 3 and name HN) (resid 15 and name HA) 2.605 2.605 1.349 weight 1.000 ! spec=HNH, no=1113, id=1106, vol=4.250000e+07
assign (resid 27 and name HN) (resid 28 and name HN) 2.604 2.604 1.348 weight 1.000 ! spec=HNH, no=1114, id=1107, vol=4.260000e+07
assign (resid 123 and name HN) (resid 40 and name HN) 2.604 2.604 1.347 weight 1.000 ! spec=HNH, no=1116, id=1109, vol=4.260000e+07
assign (resid 92 and name HN) (resid 92 and name HG12) 2.602 2.602 1.347 weight 1.000 ! spec=HNH, no=1117, id=1110, vol=4.280000e+07
assign (resid 51 and name HN) (resid 48 and name HA) 2.602 2.602 1.346 weight 1.000 ! spec=HNH, no=1118, id=1111, vol=4.280000e+07
assign (resid 24 and name HN) (resid 24 and name HB2) 2.601 2.601 1.346 weight 1.000 ! spec=HNH, no=1119, id=1112, vol=4.290000e+07
assign (resid 56 and name HN) (resid 55 and name HB2) 2.601 2.601 1.345 weight 1.000 ! spec=HNH, no=1120, id=1113, vol=4.290000e+07
assign (resid 127 and name HN) (resid 127 and name HA) 2.600 2.600 1.345 weight 1.000 ! spec=HNH, no=1122, id=1115, vol=4.300000e+07
assign (resid 31 and name HN) (resid 28 and name HA) 2.599 2.599 1.344 weight 1.000 ! spec=HNH, no=1123, id=1116, vol=4.310000e+07
assign (resid 29 and name HN) (resid 29 and name HA) 2.599 2.599 1.344 weight 1.000 ! spec=HNH, no=1124, id=1117, vol=4.310000e+07
assign (resid 62 and name HD21) (resid 62 and name HB2) 2.594 2.594 1.341 weight 1.000 ! spec=HNH, no=1127, id=1120, vol=4.360000e+07
or (resid 62 and name HD21) (resid 62 and name HB1)
assign (resid 10 and name HN) (resid 10 and name HA) 2.590 2.590 1.338 weight 1.000 ! spec=HNH, no=1131, id=1124, vol=4.400000e+07
assign (resid 110 and name HN) (resid 103 and name HN) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1132, id=1125, vol=4.410000e+07
assign (resid 126 and name HN) (resid 16 and name HA) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1133, id=1126, vol=4.410000e+07
assign (resid 28 and name HN) (resid 27 and name HB2) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1134, id=1127, vol=4.420000e+07
assign (resid 76 and name HD21) (resid 76 and name HB1) 2.589 2.589 1.338 weight 1.000 ! spec=HNH, no=1135, id=1128, vol=4.420000e+07
assign (resid 90 and name HN) (resid 90 and name HA) 2.588 2.588 1.337 weight 1.000 ! spec=HNH, no=1137, id=1130, vol=4.420000e+07
assign (resid 6 and name HN) (resid 5 and name HB2) 2.588 2.588 1.337 weight 1.000 ! spec=HNH, no=1138, id=1131, vol=4.420000e+07
assign (resid 114 and name HN) (resid 114 and name HB1) 2.585 2.585 1.335 weight 1.000 ! spec=HNH, no=1140, id=1133, vol=4.450000e+07
assign (resid 79 and name HE3) (resid 79 and name HB1) 2.585 2.585 1.335 weight 1.000 ! spec=HNH, no=1141, id=1134, vol=4.460000e+07
assign (resid 3 and name HN) (resid 2 and name HA) 2.583 2.583 1.334 weight 1.000 ! spec=HNH, no=1142, id=1135, vol=4.470000e+07
assign (resid 121 and name HN) (resid 121 and name HB) 2.580 2.580 1.332 weight 1.000 ! spec=HNH, no=1148, id=1141, vol=4.500000e+07
assign (resid 41 and name HN) (resid 41 and name HB2) 2.580 2.580 1.332 weight 1.000 ! spec=HNH, no=1149, id=1142, vol=4.500000e+07
assign (resid 61 and name HN) (resid 62 and name HN) 2.578 2.578 1.331 weight 1.000 ! spec=HNH, no=1150, id=1143, vol=4.520000e+07
assign (resid 27 and name HE1) (resid 41 and name HD22) 2.577 2.577 1.33 weight 1.000 ! spec=HNH, no=1152, id=1145, vol=4.540000e+07
or (resid 27 and name HE1) (resid 41 and name HD21)
or (resid 27 and name HE1) (resid 41 and name HD23)
assign (resid 123 and name HN) (resid 123 and name HG2) 2.577 2.577 1.33 weight 1.000 ! spec=HNH, no=1153, id=1146, vol=4.540000e+07
assign (resid 9 and name HN) (resid 8 and name HG2) 2.575 2.575 1.329 weight 1.000 ! spec=HNH, no=1154, id=1147, vol=4.550000e+07
or (resid 9 and name HN) (resid 8 and name HG1)
assign (resid 126 and name HN) (resid 126 and name HA) 2.575 2.575 1.329 weight 1.000 ! spec=HNH, no=1155, id=1148, vol=4.560000e+07
assign (resid 126 and name HN) (resid 126 and name HB1) 2.573 2.573 1.328 weight 1.000 ! spec=HNH, no=1156, id=1149, vol=4.580000e+07
assign (resid 120 and name HE1) (resid 33 and name HB2) 2.572 2.572 1.327 weight 1.000 ! spec=HNH, no=1158, id=1151, vol=4.590000e+07
assign (resid 27 and name HN) (resid 27 and name HA) 2.572 2.572 1.327 weight 1.000 ! spec=HNH, no=1159, id=1152, vol=4.590000e+07
assign (resid 120 and name HN) (resid 119 and name HA) 2.569 2.569 1.325 weight 1.000 ! spec=HNH, no=1160, id=1153, vol=4.620000e+07
assign (resid 31 and name HN) (resid 30 and name HA2) 2.567 2.567 1.324 weight 1.000 ! spec=HNH, no=1161, id=1154, vol=4.640000e+07
assign (resid 92 and name HN) (resid 92 and name HA) 2.566 2.566 1.323 weight 1.000 ! spec=HNH, no=1162, id=1155, vol=4.660000e+07
assign (resid 25 and name HN) (resid 120 and name HZ3) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1164, id=1157, vol=4.670000e+07
assign (resid 39 and name HN) (resid 39 and name HA) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1165, id=1158, vol=4.670000e+07
assign (resid 10 and name HN) (resid 9 and name HA) 2.564 2.564 1.322 weight 1.000 ! spec=HNH, no=1166, id=1159, vol=4.670000e+07
assign (resid 120 and name HN) (resid 119 and name HB2) 2.563 2.563 1.321 weight 1.000 ! spec=HNH, no=1167, id=1160, vol=4.690000e+07
assign (resid 135 and name HN) (resid 134 and name HA) 2.559 2.559 1.319 weight 1.000 ! spec=HNH, no=1169, id=1162, vol=4.730000e+07
assign (resid 77 and name HN) (resid 76 and name HB1) 2.555 2.555 1.316 weight 1.000 ! spec=HNH, no=1171, id=1164, vol=4.780000e+07
assign (resid 125 and name HN) (resid 125 and name HA) 2.554 2.554 1.315 weight 1.000 ! spec=HNH, no=1172, id=1165, vol=4.790000e+07
assign (resid 28 and name HN) (resid 28 and name HG1) 2.550 2.550 1.313 weight 1.000 ! spec=HNH, no=1174, id=1167, vol=4.830000e+07
assign (resid 125 and name HN) (resid 125 and name HB2) 2.548 2.548 1.312 weight 1.000 ! spec=HNH, no=1176, id=1169, vol=4.860000e+07
assign (resid 29 and name HN) (resid 28 and name HN) 2.545 2.545 1.309 weight 1.000 ! spec=HNH, no=1179, id=1172, vol=4.890000e+07
assign (resid 45 and name HN) (resid 45 and name HB2) 2.544 2.544 1.309 weight 1.000 ! spec=HNH, no=1181, id=1174, vol=4.900000e+07
assign (resid 61 and name HN) (resid 61 and name HA) 2.543 2.543 1.308 weight 1.000 ! spec=HNH, no=1182, id=1175, vol=4.910000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.542 2.542 1.308 weight 1.000 ! spec=HNH, no=1183, id=1176, vol=4.930000e+07
assign (resid 31 and name HN) (resid 41 and name HD12) 2.542 2.542 1.307 weight 1.000 ! spec=HNH, no=1184, id=1177, vol=4.930000e+07
or (resid 31 and name HN) (resid 41 and name HD11)
or (resid 31 and name HN) (resid 41 and name HD13)
assign (resid 96 and name HN) (resid 96 and name HG21) 2.539 2.539 1.306 weight 1.000 ! spec=HNH, no=1186, id=1179, vol=4.960000e+07
or (resid 96 and name HN) (resid 96 and name HG22)
or (resid 96 and name HN) (resid 96 and name HG23)
assign (resid 59 and name HN) (resid 57 and name HG22) 2.535 2.535 1.303 weight 1.000 ! spec=HNH, no=1187, id=1180, vol=5.010000e+07
or (resid 59 and name HN) (resid 57 and name HG21)
or (resid 59 and name HN) (resid 57 and name HG23)
assign (resid 118 and name HN) (resid 65 and name HE1) 2.535 2.535 1.303 weight 1.000 ! spec=HNH, no=1188, id=1181, vol=5.010000e+07
assign (resid 123 and name HE22) (resid 123 and name HG1) 2.533 2.533 1.302 weight 1.000 ! spec=HNH, no=1191, id=1184, vol=5.030000e+07
assign (resid 113 and name HN) (resid 113 and name HA) 2.532 2.532 1.301 weight 1.000 ! spec=HNH, no=1192, id=1185, vol=5.040000e+07
assign (resid 92 and name HN) (resid 92 and name HG11) 2.531 2.531 1.301 weight 1.000 ! spec=HNH, no=1196, id=1189, vol=5.060000e+07
assign (resid 82 and name HN) (resid 82 and name HA2) 2.530 2.530 1.3 weight 1.000 ! spec=HNH, no=1197, id=1190, vol=5.060000e+07
assign (resid 6 and name HN) (resid 6 and name HA) 2.529 2.529 1.3 weight 1.000 ! spec=HNH, no=1198, id=1191, vol=5.070000e+07
assign (resid 5 and name HN) (resid 5 and name HG2) 2.529 2.529 1.299 weight 1.000 ! spec=HNH, no=1199, id=1192, vol=5.080000e+07
or (resid 5 and name HN) (resid 5 and name HG1)
assign (resid 113 and name HN) (resid 112 and name HB1) 2.526 2.526 1.297 weight 1.000 ! spec=HNH, no=1200, id=1193, vol=5.120000e+07
assign (resid 26 and name HN) (resid 25 and name HB1) 2.525 2.525 1.297 weight 1.000 ! spec=HNH, no=1201, id=1194, vol=5.130000e+07
assign (resid 58 and name HN) (resid 58 and name HB2) 2.524 2.524 1.296 weight 1.000 ! spec=HNH, no=1202, id=1195, vol=5.140000e+07
or (resid 58 and name HN) (resid 58 and name HB1)
assign (resid 134 and name HN) (resid 133 and name HA) 2.523 2.523 1.296 weight 1.000 ! spec=HNH, no=1203, id=1196, vol=5.150000e+07
assign (resid 75 and name HN) (resid 75 and name HA) 2.521 2.521 1.295 weight 1.000 ! spec=HNH, no=1207, id=1200, vol=5.170000e+07
assign (resid 48 and name HN) (resid 48 and name HG1) 2.521 2.521 1.294 weight 1.000 ! spec=HNH, no=1208, id=1201, vol=5.170000e+07
assign (resid 89 and name HN) (resid 88 and name HN) 2.520 2.520 1.294 weight 1.000 ! spec=HNH, no=1209, id=1202, vol=5.190000e+07
assign (resid 37 and name HN) (resid 37 and name HD2) 2.519 2.519 1.293 weight 1.000 ! spec=HNH, no=1210, id=1203, vol=5.200000e+07
assign (resid 62 and name HN) (resid 62 and name HA) 2.518 2.518 1.293 weight 1.000 ! spec=HNH, no=1211, id=1204, vol=5.210000e+07
assign (resid 106 and name HN) (resid 106 and name HA2) 2.516 2.516 1.291 weight 1.000 ! spec=HNH, no=1213, id=1206, vol=5.230000e+07
assign (resid 80 and name HN) (resid 80 and name HA) 2.516 2.516 1.291 weight 1.000 ! spec=HNH, no=1215, id=1208, vol=5.240000e+07
assign (resid 89 and name HN) (resid 89 and name HA) 2.514 2.514 1.29 weight 1.000 ! spec=HNH, no=1217, id=1210, vol=5.270000e+07
assign (resid 53 and name HN) (resid 53 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1218, id=1211, vol=5.280000e+07
assign (resid 80 and name HN) (resid 79 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1219, id=1212, vol=5.280000e+07
assign (resid 83 and name HN) (resid 83 and name HA) 2.513 2.513 1.289 weight 1.000 ! spec=HNH, no=1220, id=1213, vol=5.280000e+07
assign (resid 91 and name HN) (resid 90 and name HB1) 2.512 2.512 1.289 weight 1.000 ! spec=HNH, no=1222, id=1215, vol=5.290000e+07
assign (resid 30 and name HN) (resid 30 and name HA1) 2.512 2.512 1.288 weight 1.000 ! spec=HNH, no=1223, id=1216, vol=5.290000e+07
assign (resid 115 and name HN) (resid 115 and name HB1) 2.507 2.507 1.286 weight 1.000 ! spec=HNH, no=1224, id=1217, vol=5.350000e+07
assign (resid 74 and name HN) (resid 74 and name HB1) 2.502 2.502 1.283 weight 1.000 ! spec=HNH, no=1225, id=1218, vol=5.410000e+07
assign (resid 20 and name HN) (resid 20 and name HB) 2.500 2.500 1.281 weight 1.000 ! spec=HNH, no=1227, id=1220, vol=5.450000e+07
assign (resid 122 and name HN) (resid 121 and name HG22) 2.499 2.499 1.281 weight 1.000 ! spec=HNH, no=1228, id=1221, vol=5.450000e+07
or (resid 122 and name HN) (resid 121 and name HG21)
or (resid 122 and name HN) (resid 121 and name HG23)
assign (resid 5 and name HN) (resid 4 and name HB1) 2.498 2.498 1.28 weight 1.000 ! spec=HNH, no=1229, id=1222, vol=5.460000e+07
assign (resid 94 and name HN) (resid 93 and name HA) 2.495 2.495 1.278 weight 1.000 ! spec=HNH, no=1231, id=1224, vol=5.510000e+07
assign (resid 47 and name HN) (resid 46 and name HB2) 2.494 2.494 1.278 weight 1.000 ! spec=HNH, no=1232, id=1225, vol=5.520000e+07
or (resid 47 and name HN) (resid 46 and name HB1)
assign (resid 81 and name HN) (resid 82 and name HN) 2.493 2.493 1.277 weight 1.000 ! spec=HNH, no=1233, id=1226, vol=5.540000e+07
assign (resid 31 and name HN) (resid 31 and name HA) 2.489 2.489 1.274 weight 1.000 ! spec=HNH, no=1235, id=1228, vol=5.590000e+07
assign (resid 21 and name HN) (resid 20 and name HG12) 2.489 2.489 1.274 weight 1.000 ! spec=HNH, no=1236, id=1229, vol=5.590000e+07
or (resid 21 and name HN) (resid 20 and name HG11)
or (resid 21 and name HN) (resid 20 and name HG13)
assign (resid 26 and name HN) (resid 29 and name HB2) 2.488 2.488 1.274 weight 1.000 ! spec=HNH, no=1237, id=1230, vol=5.600000e+07
or (resid 26 and name HN) (resid 29 and name HB1)
assign (resid 118 and name HN) (resid 25 and name HN) 2.483 2.483 1.271 weight 1.000 ! spec=HNH, no=1239, id=1232, vol=5.670000e+07
assign (resid 68 and name HN) (resid 27 and name HE1) 2.481 2.481 1.27 weight 1.000 ! spec=HNH, no=1241, id=1234, vol=5.690000e+07
assign (resid 39 and name HN) (resid 35 and name HA) 2.480 2.480 1.269 weight 1.000 ! spec=HNH, no=1242, id=1235, vol=5.700000e+07
assign (resid 121 and name HN) (resid 120 and name HA) 2.479 2.479 1.268 weight 1.000 ! spec=HNH, no=1244, id=1237, vol=5.730000e+07
assign (resid 41 and name HN) (resid 41 and name HB1) 2.479 2.479 1.268 weight 1.000 ! spec=HNH, no=1245, id=1238, vol=5.730000e+07
assign (resid 10 and name HN) (resid 10 and name HD1) 2.478 2.478 1.268 weight 1.000 ! spec=HNH, no=1246, id=1239, vol=5.730000e+07
assign (resid 35 and name HN) (resid 35 and name HA) 2.477 2.477 1.267 weight 1.000 ! spec=HNH, no=1247, id=1240, vol=5.750000e+07
assign (resid 59 and name HN) (resid 58 and name HB2) 2.473 2.473 1.265 weight 1.000 ! spec=HNH, no=1250, id=1243, vol=5.800000e+07
or (resid 59 and name HN) (resid 58 and name HB1)
assign (resid 107 and name HN) (resid 106 and name HA1) 2.472 2.472 1.264 weight 1.000 ! spec=HNH, no=1251, id=1244, vol=5.820000e+07
assign (resid 32 and name HN) (resid 32 and name HA) 2.470 2.470 1.263 weight 1.000 ! spec=HNH, no=1252, id=1245, vol=5.850000e+07
assign (resid 42 and name HN) (resid 42 and name HA) 2.469 2.469 1.262 weight 1.000 ! spec=HNH, no=1253, id=1246, vol=5.870000e+07
assign (resid 50 and name HN) (resid 44 and name HG22) 2.468 2.468 1.262 weight 1.000 ! spec=HNH, no=1254, id=1247, vol=5.870000e+07
or (resid 50 and name HN) (resid 44 and name HG21)
or (resid 50 and name HN) (resid 44 and name HG23)
assign (resid 27 and name HN) (resid 26 and name HA) 2.463 2.463 1.258 weight 1.000 ! spec=HNH, no=1257, id=1250, vol=5.960000e+07
assign (resid 41 and name HN) (resid 80 and name HD12) 2.462 2.462 1.258 weight 1.000 ! spec=HNH, no=1258, id=1251, vol=5.970000e+07
or (resid 41 and name HN) (resid 80 and name HD11)
or (resid 41 and name HN) (resid 80 and name HD13)
assign (resid 32 and name HN) (resid 31 and name HB2) 2.460 2.460 1.256 weight 1.000 ! spec=HNH, no=1263, id=1256, vol=6.000000e+07
assign (resid 29 and name HN) (resid 30 and name HN) 2.459 2.459 1.256 weight 1.000 ! spec=HNH, no=1264, id=1257, vol=6.000000e+07
assign (resid 79 and name HE1) (resid 85 and name HD12) 2.458 2.458 1.256 weight 1.000 ! spec=HNH, no=1266, id=1259, vol=6.020000e+07
or (resid 79 and name HE1) (resid 85 and name HD11)
or (resid 79 and name HE1) (resid 85 and name HD13)
assign (resid 90 and name HN) (resid 90 and name HG) 2.458 2.458 1.255 weight 1.000 ! spec=HNH, no=1267, id=1260, vol=6.020000e+07
assign (resid 37 and name HN) (resid 37 and name HA) 2.456 2.456 1.254 weight 1.000 ! spec=HNH, no=1269, id=1262, vol=6.050000e+07
assign (resid 82 and name HN) (resid 83 and name HN) 2.454 2.454 1.253 weight 1.000 ! spec=HNH, no=1272, id=1265, vol=6.090000e+07
assign (resid 28 and name HN) (resid 28 and name HA) 2.453 2.453 1.252 weight 1.000 ! spec=HNH, no=1274, id=1267, vol=6.110000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 2.452 2.452 1.252 weight 1.000 ! spec=HNH, no=1275, id=1268, vol=6.110000e+07
or (resid 47 and name HN) (resid 47 and name HB1)
assign (resid 105 and name HN) (resid 105 and name HA) 2.451 2.451 1.251 weight 1.000 ! spec=HNH, no=1277, id=1270, vol=6.130000e+07
assign (resid 54 and name HN) (resid 53 and name HB2) 2.451 2.451 1.251 weight 1.000 ! spec=HNH, no=1278, id=1271, vol=6.130000e+07
assign (resid 27 and name HN) (resid 26 and name HB) 2.449 2.449 1.25 weight 1.000 ! spec=HNH, no=1280, id=1273, vol=6.160000e+07
assign (resid 65 and name HN) (resid 64 and name HA) 2.449 2.449 1.25 weight 1.000 ! spec=HNH, no=1281, id=1274, vol=6.160000e+07
assign (resid 17 and name HN) (resid 16 and name HB1) 2.446 2.446 1.248 weight 1.000 ! spec=HNH, no=1283, id=1276, vol=6.200000e+07
assign (resid 57 and name HN) (resid 57 and name HG12) 2.446 2.446 1.248 weight 1.000 ! spec=HNH, no=1284, id=1277, vol=6.210000e+07
assign (resid 80 and name HN) (resid 80 and name HG11) 2.445 2.445 1.247 weight 1.000 ! spec=HNH, no=1285, id=1278, vol=6.220000e+07
assign (resid 6 and name HN) (resid 6 and name HB1) 2.445 2.445 1.247 weight 1.000 ! spec=HNH, no=1286, id=1279, vol=6.220000e+07
assign (resid 50 and name HN) (resid 50 and name HA) 2.444 2.444 1.247 weight 1.000 ! spec=HNH, no=1287, id=1280, vol=6.230000e+07
assign (resid 35 and name HN) (resid 36 and name HN) 2.444 2.444 1.247 weight 1.000 ! spec=HNH, no=1289, id=1282, vol=6.230000e+07
assign (resid 107 and name HN) (resid 107 and name HA) 2.443 2.443 1.246 weight 1.000 ! spec=HNH, no=1291, id=1284, vol=6.250000e+07
assign (resid 30 and name HN) (resid 31 and name HN) 2.443 2.443 1.246 weight 1.000 ! spec=HNH, no=1292, id=1285, vol=6.250000e+07
assign (resid 33 and name HN) (resid 33 and name HA) 2.434 2.434 1.241 weight 1.000 ! spec=HNH, no=1295, id=1288, vol=6.390000e+07
assign (resid 85 and name HN) (resid 85 and name HB1) 2.430 2.430 1.238 weight 1.000 ! spec=HNH, no=1296, id=1289, vol=6.450000e+07
assign (resid 103 and name HN) (resid 102 and name HB2) 2.430 2.430 1.238 weight 1.000 ! spec=HNH, no=1297, id=1290, vol=6.450000e+07
or (resid 103 and name HN) (resid 102 and name HB1)
or (resid 103 and name HN) (resid 102 and name HB3)
assign (resid 113 and name HN) (resid 112 and name HB2) 2.428 2.428 1.237 weight 1.000 ! spec=HNH, no=1298, id=1291, vol=6.480000e+07
assign (resid 33 and name HN) (resid 32 and name HB) 2.424 2.424 1.234 weight 1.000 ! spec=HNH, no=1301, id=1294, vol=6.560000e+07
assign (resid 34 and name HN) (resid 34 and name HA) 2.420 2.420 1.232 weight 1.000 ! spec=HNH, no=1304, id=1296, vol=6.620000e+07
assign (resid 105 and name HN) (resid 104 and name HG22) 2.416 2.416 1.23 weight 1.000 ! spec=HNH, no=1306, id=1298, vol=6.680000e+07
or (resid 105 and name HN) (resid 104 and name HG21)
or (resid 105 and name HN) (resid 104 and name HG23)
assign (resid 108 and name HN) (resid 108 and name HG2) 2.416 2.416 1.229 weight 1.000 ! spec=HNH, no=1307, id=1299, vol=6.680000e+07
assign (resid 32 and name HN) (resid 33 and name HN) 2.416 2.416 1.229 weight 1.000 ! spec=HNH, no=1308, id=1300, vol=6.690000e+07
assign (resid 66 and name HN) (resid 65 and name HA) 2.415 2.415 1.229 weight 1.000 ! spec=HNH, no=1309, id=1301, vol=6.690000e+07
assign (resid 95 and name HN) (resid 95 and name HB1) 2.415 2.415 1.229 weight 1.000 ! spec=HNH, no=1310, id=1302, vol=6.700000e+07
assign (resid 54 and name HN) (resid 54 and name HB1) 2.414 2.414 1.229 weight 1.000 ! spec=HNH, no=1311, id=1303, vol=6.710000e+07
assign (resid 108 and name HN) (resid 107 and name HA) 2.411 2.411 1.227 weight 1.000 ! spec=HNH, no=1312, id=1304, vol=6.760000e+07
assign (resid 8 and name HN) (resid 8 and name HA) 2.408 2.408 1.225 weight 1.000 ! spec=HNH, no=1313, id=1305, vol=6.820000e+07
assign (resid 36 and name HN) (resid 37 and name HN) 2.407 2.407 1.224 weight 1.000 ! spec=HNH, no=1316, id=1308, vol=6.840000e+07
assign (resid 53 and name HN) (resid 52 and name HB1) 2.406 2.406 1.224 weight 1.000 ! spec=HNH, no=1318, id=1310, vol=6.850000e+07
assign (resid 54 and name HN) (resid 53 and name HN) 2.405 2.405 1.223 weight 1.000 ! spec=HNH, no=1319, id=1311, vol=6.860000e+07
assign (resid 79 and name HN) (resid 78 and name HA) 2.405 2.405 1.223 weight 1.000 ! spec=HNH, no=1320, id=1312, vol=6.860000e+07
assign (resid 33 and name HN) (resid 34 and name HN) 2.404 2.404 1.223 weight 1.000 ! spec=HNH, no=1321, id=1313, vol=6.880000e+07
assign (resid 103 and name HN) (resid 103 and name HB2) 2.404 2.404 1.222 weight 1.000 ! spec=HNH, no=1322, id=1314, vol=6.880000e+07
or (resid 103 and name HN) (resid 103 and name HB1)
or (resid 103 and name HN) (resid 103 and name HB3)
assign (resid 42 and name HN) (resid 42 and name HB1) 2.401 2.401 1.221 weight 1.000 ! spec=HNH, no=1323, id=1315, vol=6.940000e+07
assign (resid 113 and name HN) (resid 113 and name HB1) 2.396 2.396 1.218 weight 1.000 ! spec=HNH, no=1325, id=1317, vol=7.020000e+07
assign (resid 12 and name HN) (resid 11 and name HB2) 2.396 2.396 1.218 weight 1.000 ! spec=HNH, no=1326, id=1318, vol=7.020000e+07
or (resid 12 and name HN) (resid 11 and name HB1)
assign (resid 50 and name HN) (resid 51 and name HN) 2.395 2.395 1.217 weight 1.000 ! spec=HNH, no=1327, id=1319, vol=7.040000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.395 2.395 1.217 weight 1.000 ! spec=HNH, no=1328, id=1320, vol=7.040000e+07
assign (resid 100 and name HN) (resid 99 and name HA) 2.394 2.394 1.216 weight 1.000 ! spec=HNH, no=1329, id=1321, vol=7.060000e+07
assign (resid 113 and name HN) (resid 113 and name HB2) 2.391 2.391 1.214 weight 1.000 ! spec=HNH, no=1332, id=1324, vol=7.120000e+07
assign (resid 85 and name HN) (resid 84 and name HG21) 2.390 2.390 1.214 weight 1.000 ! spec=HNH, no=1333, id=1325, vol=7.120000e+07
or (resid 85 and name HN) (resid 84 and name HG22)
or (resid 85 and name HN) (resid 84 and name HG23)
assign (resid 65 and name HN) (resid 120 and name HA) 2.390 2.390 1.214 weight 1.000 ! spec=HNH, no=1334, id=1326, vol=7.120000e+07
assign (resid 51 and name HN) (resid 51 and name HA) 2.389 2.389 1.214 weight 1.000 ! spec=HNH, no=1336, id=1328, vol=7.140000e+07
assign (resid 27 and name HN) (resid 27 and name HB2) 2.387 2.387 1.212 weight 1.000 ! spec=HNH, no=1340, id=1332, vol=7.190000e+07
assign (resid 55 and name HN) (resid 54 and name HN) 2.387 2.387 1.212 weight 1.000 ! spec=HNH, no=1341, id=1333, vol=7.190000e+07
assign (resid 64 and name HN) (resid 63 and name HA) 2.386 2.386 1.212 weight 1.000 ! spec=HNH, no=1342, id=1334, vol=7.190000e+07
assign (resid 99 and name HN) (resid 99 and name HB1) 2.386 2.386 1.212 weight 1.000 ! spec=HNH, no=1343, id=1335, vol=7.200000e+07
assign (resid 48 and name HN) (resid 48 and name HA) 2.385 2.385 1.211 weight 1.000 ! spec=HNH, no=1345, id=1337, vol=7.220000e+07
assign (resid 82 and name HN) (resid 82 and name HA1) 2.384 2.384 1.211 weight 1.000 ! spec=HNH, no=1346, id=1338, vol=7.230000e+07
assign (resid 50 and name HN) (resid 49 and name HN) 2.381 2.381 1.209 weight 1.000 ! spec=HNH, no=1349, id=1341, vol=7.290000e+07
assign (resid 63 and name HN) (resid 63 and name HB2) 2.374 2.374 1.205 weight 1.000 ! spec=HNH, no=1351, id=1343, vol=7.420000e+07
assign (resid 85 and name HN) (resid 85 and name HB2) 2.374 2.374 1.205 weight 1.000 ! spec=HNH, no=1352, id=1344, vol=7.420000e+07
assign (resid 55 and name HN) (resid 55 and name HA) 2.373 2.373 1.204 weight 1.000 ! spec=HNH, no=1353, id=1345, vol=7.440000e+07
assign (resid 123 and name HE21) (resid 123 and name HG1) 2.365 2.365 1.199 weight 1.000 ! spec=HNH, no=1354, id=1346, vol=7.600000e+07
assign (resid 8 and name HN) (resid 8 and name HB1) 2.363 2.363 1.198 weight 1.000 ! spec=HNH, no=1355, id=1347, vol=7.630000e+07
assign (resid 52 and name HN) (resid 53 and name HN) 2.362 2.362 1.197 weight 1.000 ! spec=HNH, no=1356, id=1348, vol=7.650000e+07
assign (resid 126 and name HN) (resid 16 and name HG1) 2.362 2.362 1.197 weight 1.000 ! spec=HNH, no=1357, id=1349, vol=7.650000e+07
assign (resid 88 and name HN) (resid 88 and name HB2) 2.361 2.361 1.197 weight 1.000 ! spec=HNH, no=1358, id=1350, vol=7.660000e+07
or (resid 88 and name HN) (resid 88 and name HB1)
assign (resid 24 and name HN) (resid 23 and name HG12) 2.353 2.353 1.192 weight 1.000 ! spec=HNH, no=1360, id=1352, vol=7.830000e+07
or (resid 24 and name HN) (resid 23 and name HG11)
or (resid 24 and name HN) (resid 23 and name HG13)
assign (resid 125 and name HN) (resid 125 and name HB1) 2.351 2.351 1.191 weight 1.000 ! spec=HNH, no=1361, id=1353, vol=7.870000e+07
assign (resid 52 and name HN) (resid 51 and name HB2) 2.350 2.350 1.191 weight 1.000 ! spec=HNH, no=1362, id=1354, vol=7.880000e+07
or (resid 52 and name HN) (resid 51 and name HB1)
assign (resid 123 and name HN) (resid 122 and name HA) 2.350 2.350 1.191 weight 1.000 ! spec=HNH, no=1363, id=1355, vol=7.880000e+07
assign (resid 93 and name HN) (resid 92 and name HA) 2.349 2.349 1.19 weight 1.000 ! spec=HNH, no=1366, id=1358, vol=7.910000e+07
assign (resid 111 and name HN) (resid 110 and name HB) 2.347 2.347 1.189 weight 1.000 ! spec=HNH, no=1368, id=1360, vol=7.940000e+07
assign (resid 99 and name HN) (resid 98 and name HB2) 2.346 2.346 1.188 weight 1.000 ! spec=HNH, no=1370, id=1362, vol=7.980000e+07
assign (resid 38 and name HN) (resid 38 and name HA1) 2.344 2.344 1.187 weight 1.000 ! spec=HNH, no=1371, id=1363, vol=8.010000e+07
assign (resid 45 and name HN) (resid 46 and name HN) 2.337 2.337 1.183 weight 1.000 ! spec=HNH, no=1375, id=1367, vol=8.160000e+07
assign (resid 62 and name HN) (resid 62 and name HB2) 2.336 2.336 1.182 weight 1.000 ! spec=HNH, no=1376, id=1368, vol=8.180000e+07
or (resid 62 and name HN) (resid 62 and name HB1)
assign (resid 30 and name HN) (resid 30 and name HA2) 2.332 2.332 1.18 weight 1.000 ! spec=HNH, no=1378, id=1370, vol=8.260000e+07
assign (resid 112 and name HN) (resid 111 and name HA) 2.328 2.328 1.177 weight 1.000 ! spec=HNH, no=1381, id=1373, vol=8.350000e+07
assign (resid 108 and name HN) (resid 108 and name HB2) 2.327 2.327 1.177 weight 1.000 ! spec=HNH, no=1382, id=1374, vol=8.360000e+07
or (resid 108 and name HN) (resid 108 and name HB1)
assign (resid 108 and name HN) (resid 108 and name HA) 2.324 2.324 1.175 weight 1.000 ! spec=HNH, no=1384, id=1376, vol=8.430000e+07
assign (resid 104 and name HN) (resid 104 and name HB) 2.324 2.324 1.175 weight 1.000 ! spec=HNH, no=1385, id=1377, vol=8.440000e+07
assign (resid 31 and name HN) (resid 31 and name HB2) 2.323 2.323 1.175 weight 1.000 ! spec=HNH, no=1386, id=1378, vol=8.450000e+07
assign (resid 16 and name HN) (resid 16 and name HB2) 2.321 2.321 1.173 weight 1.000 ! spec=HNH, no=1387, id=1379, vol=8.500000e+07
assign (resid 49 and name HN) (resid 48 and name HN) 2.320 2.320 1.173 weight 1.000 ! spec=HNH, no=1388, id=1380, vol=8.530000e+07
assign (resid 107 and name HN) (resid 106 and name HA2) 2.317 2.317 1.171 weight 1.000 ! spec=HNH, no=1392, id=1384, vol=8.580000e+07
assign (resid 51 and name HN) (resid 51 and name HG2) 2.316 2.316 1.171 weight 1.000 ! spec=HNH, no=1393, id=1385, vol=8.610000e+07
assign (resid 36 and name HN) (resid 35 and name HB2) 2.314 2.314 1.169 weight 1.000 ! spec=HNH, no=1394, id=1386, vol=8.660000e+07
assign (resid 119 and name HN) (resid 118 and name HA) 2.313 2.313 1.169 weight 1.000 ! spec=HNH, no=1397, id=1389, vol=8.680000e+07
assign (resid 104 and name HN) (resid 103 and name HA) 2.311 2.311 1.168 weight 1.000 ! spec=HNH, no=1399, id=1391, vol=8.720000e+07
assign (resid 54 and name HN) (resid 54 and name HA) 2.311 2.311 1.167 weight 1.000 ! spec=HNH, no=1400, id=1392, vol=8.730000e+07
assign (resid 106 and name HN) (resid 105 and name HA) 2.311 2.311 1.167 weight 1.000 ! spec=HNH, no=1401, id=1393, vol=8.730000e+07
assign (resid 92 and name HN) (resid 92 and name HB) 2.310 2.310 1.167 weight 1.000 ! spec=HNH, no=1402, id=1394, vol=8.730000e+07
assign (resid 77 and name HN) (resid 76 and name HA) 2.306 2.306 1.165 weight 1.000 ! spec=HNH, no=1404, id=1396, vol=8.830000e+07
assign (resid 31 and name HN) (resid 31 and name HB1) 2.306 2.306 1.165 weight 1.000 ! spec=HNH, no=1405, id=1397, vol=8.840000e+07
assign (resid 79 and name HE1) (resid 79 and name HD1) 2.301 2.301 1.162 weight 1.000 ! spec=HNH, no=1407, id=1399, vol=8.940000e+07
assign (resid 52 and name HN) (resid 52 and name HB1) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1409, id=1401, vol=9.090000e+07
assign (resid 50 and name HN) (resid 50 and name HB2) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1410, id=1402, vol=9.100000e+07
assign (resid 115 and name HN) (resid 116 and name HN) 2.295 2.295 1.158 weight 1.000 ! spec=HNH, no=1411, id=1403, vol=9.100000e+07
assign (resid 29 and name HN) (resid 29 and name HB2) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1413, id=1405, vol=9.140000e+07
or (resid 29 and name HN) (resid 29 and name HB1)
assign (resid 78 and name HN) (resid 77 and name HA) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1414, id=1406, vol=9.140000e+07
assign (resid 106 and name HN) (resid 106 and name HA1) 2.293 2.293 1.157 weight 1.000 ! spec=HNH, no=1415, id=1407, vol=9.140000e+07
assign (resid 54 and name HN) (resid 54 and name HD22) 2.292 2.292 1.156 weight 1.000 ! spec=HNH, no=1416, id=1408, vol=9.180000e+07
or (resid 54 and name HN) (resid 54 and name HD21)
or (resid 54 and name HN) (resid 54 and name HD23)
assign (resid 55 and name HN) (resid 56 and name HN) 2.289 2.289 1.155 weight 1.000 ! spec=HNH, no=1418, id=1410, vol=9.240000e+07
assign (resid 101 and name HN) (resid 100 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HNH, no=1420, id=1412, vol=9.270000e+07
assign (resid 25 and name HN) (resid 24 and name HA) 2.287 2.287 1.154 weight 1.000 ! spec=HNH, no=1421, id=1413, vol=9.280000e+07
assign (resid 11 and name HN) (resid 10 and name HA) 2.285 2.285 1.153 weight 1.000 ! spec=HNH, no=1422, id=1414, vol=9.340000e+07
assign (resid 42 and name HN) (resid 41 and name HA) 2.285 2.285 1.152 weight 1.000 ! spec=HNH, no=1424, id=1416, vol=9.340000e+07
assign (resid 69 and name HN) (resid 68 and name HA) 2.279 2.279 1.149 weight 1.000 ! spec=HNH, no=1425, id=1417, vol=9.490000e+07
assign (resid 34 and name HN) (resid 33 and name HB1) 2.279 2.279 1.149 weight 1.000 ! spec=HNH, no=1426, id=1418, vol=9.490000e+07
assign (resid 26 and name HN) (resid 25 and name HA) 2.277 2.277 1.148 weight 1.000 ! spec=HNH, no=1427, id=1419, vol=9.530000e+07
assign (resid 102 and name HN) (resid 101 and name HA) 2.277 2.277 1.148 weight 1.000 ! spec=HNH, no=1428, id=1420, vol=9.540000e+07
assign (resid 38 and name HN) (resid 37 and name HN) 2.268 2.268 1.143 weight 1.000 ! spec=HNH, no=1431, id=1423, vol=9.770000e+07
assign (resid 20 and name HN) (resid 19 and name HA) 2.268 2.268 1.143 weight 1.000 ! spec=HNH, no=1432, id=1424, vol=9.770000e+07
assign (resid 72 and name HN) (resid 72 and name HG) 2.264 2.264 1.141 weight 1.000 ! spec=HNH, no=1434, id=1426, vol=9.860000e+07
assign (resid 85 and name HN) (resid 84 and name HA) 2.264 2.264 1.141 weight 1.000 ! spec=HNH, no=1435, id=1427, vol=9.860000e+07
assign (resid 43 and name HN) (resid 42 and name HA) 2.262 2.262 1.14 weight 1.000 ! spec=HNH, no=1437, id=1429, vol=9.910000e+07
assign (resid 103 and name HN) (resid 102 and name HA) 2.252 2.252 1.134 weight 1.000 ! spec=HNH, no=1439, id=1431, vol=1.020000e+08
assign (resid 118 and name HN) (resid 117 and name HA) 2.248 2.248 1.132 weight 1.000 ! spec=HNH, no=1441, id=1433, vol=1.030000e+08
assign (resid 102 and name HN) (resid 102 and name HB2) 2.246 2.246 1.131 weight 1.000 ! spec=HNH, no=1442, id=1434, vol=1.030000e+08
or (resid 102 and name HN) (resid 102 and name HB1)
or (resid 102 and name HN) (resid 102 and name HB3)
assign (resid 107 and name HN) (resid 108 and name HN) 2.242 2.242 1.128 weight 1.000 ! spec=HNH, no=1444, id=1436, vol=1.050000e+08
assign (resid 19 and name HN) (resid 18 and name HA) 2.242 2.242 1.128 weight 1.000 ! spec=HNH, no=1445, id=1437, vol=1.050000e+08
assign (resid 18 and name HN) (resid 17 and name HA) 2.238 2.238 1.126 weight 1.000 ! spec=HNH, no=1446, id=1438, vol=1.060000e+08
assign (resid 39 and name HN) (resid 39 and name HB2) 2.228 2.228 1.121 weight 1.000 ! spec=HNH, no=1448, id=1440, vol=1.090000e+08
or (resid 39 and name HN) (resid 39 and name HB1)
or (resid 39 and name HN) (resid 39 and name HB3)
assign (resid 122 and name HN) (resid 121 and name HA) 2.224 2.224 1.118 weight 1.000 ! spec=HNH, no=1449, id=1441, vol=1.100000e+08
assign (resid 32 and name HN) (resid 32 and name HB) 2.222 2.222 1.117 weight 1.000 ! spec=HNH, no=1450, id=1442, vol=1.110000e+08
assign (resid 90 and name HN) (resid 89 and name HN) 2.221 2.221 1.117 weight 1.000 ! spec=HNH, no=1451, id=1443, vol=1.110000e+08
assign (resid 17 and name HN) (resid 16 and name HA) 2.220 2.220 1.116 weight 1.000 ! spec=HNH, no=1452, id=1444, vol=1.110000e+08
assign (resid 71 and name HN) (resid 70 and name HA) 2.220 2.220 1.116 weight 1.000 ! spec=HNH, no=1453, id=1445, vol=1.110000e+08
assign (resid 105 and name HN) (resid 104 and name HA) 2.217 2.217 1.114 weight 1.000 ! spec=HNH, no=1455, id=1447, vol=1.120000e+08
assign (resid 53 and name HN) (resid 53 and name HB2) 2.216 2.216 1.114 weight 1.000 ! spec=HNH, no=1457, id=1449, vol=1.120000e+08
assign (resid 46 and name HN) (resid 44 and name HG22) 2.214 2.214 1.113 weight 1.000 ! spec=HNH, no=1458, id=1450, vol=1.130000e+08
or (resid 46 and name HN) (resid 44 and name HG21)
or (resid 46 and name HN) (resid 44 and name HG23)
assign (resid 84 and name HN) (resid 83 and name HA) 2.210 2.210 1.111 weight 1.000 ! spec=HNH, no=1459, id=1451, vol=1.140000e+08
assign (resid 63 and name HN) (resid 62 and name HA) 2.207 2.207 1.109 weight 1.000 ! spec=HNH, no=1461, id=1453, vol=1.150000e+08
assign (resid 113 and name HN) (resid 112 and name HA) 2.203 2.203 1.107 weight 1.000 ! spec=HNH, no=1463, id=1455, vol=1.160000e+08
assign (resid 11 and name HN) (resid 11 and name HB2) 2.201 2.201 1.106 weight 1.000 ! spec=HNH, no=1464, id=1456, vol=1.170000e+08
or (resid 11 and name HN) (resid 11 and name HB1)
assign (resid 13 and name HN) (resid 12 and name HA) 2.197 2.197 1.103 weight 1.000 ! spec=HNH, no=1465, id=1457, vol=1.180000e+08
assign (resid 124 and name HN) (resid 123 and name HA) 2.196 2.196 1.103 weight 1.000 ! spec=HNH, no=1466, id=1458, vol=1.180000e+08
assign (resid 57 and name HN) (resid 57 and name HB) 2.194 2.194 1.102 weight 1.000 ! spec=HNH, no=1467, id=1459, vol=1.190000e+08
assign (resid 56 and name HN) (resid 56 and name HB2) 2.194 2.194 1.102 weight 1.000 ! spec=HNH, no=1468, id=1460, vol=1.190000e+08
or (resid 56 and name HN) (resid 56 and name HB1)
assign (resid 8 and name HN) (resid 7 and name HA) 2.191 2.191 1.1 weight 1.000 ! spec=HNH, no=1469, id=1461, vol=1.200000e+08
assign (resid 91 and name HN) (resid 91 and name HB2) 2.191 2.191 1.1 weight 1.000 ! spec=HNH, no=1470, id=1462, vol=1.200000e+08
or (resid 91 and name HN) (resid 91 and name HB1)
assign (resid 81 and name HD21) (resid 81 and name HD22) 2.183 2.183 1.096 weight 1.000 ! spec=HNH, no=1471, id=1463, vol=1.230000e+08
assign (resid 99 and name HN) (resid 98 and name HA) 2.183 2.183 1.096 weight 1.000 ! spec=HNH, no=1472, id=1464, vol=1.230000e+08
assign (resid 52 and name HN) (resid 52 and name HB2) 2.182 2.182 1.095 weight 1.000 ! spec=HNH, no=1473, id=1465, vol=1.230000e+08
assign (resid 12 and name HN) (resid 12 and name HB2) 2.181 2.181 1.095 weight 1.000 ! spec=HNH, no=1474, id=1466, vol=1.230000e+08
or (resid 12 and name HN) (resid 12 and name HB1)
assign (resid 63 and name HN) (resid 62 and name HB2) 2.180 2.180 1.094 weight 1.000 ! spec=HNH, no=1475, id=1467, vol=1.240000e+08
or (resid 63 and name HN) (resid 62 and name HB1)
assign (resid 45 and name HN) (resid 44 and name HA) 2.179 2.179 1.093 weight 1.000 ! spec=HNH, no=1476, id=1468, vol=1.240000e+08
assign (resid 114 and name HN) (resid 113 and name HA) 2.178 2.178 1.093 weight 1.000 ! spec=HNH, no=1477, id=1469, vol=1.240000e+08
assign (resid 118 and name HD21) (resid 118 and name HD22) 2.159 2.159 1.083 weight 1.000 ! spec=HNH, no=1482, id=1473, vol=1.310000e+08
assign (resid 52 and name HN) (resid 52 and name HA) 2.152 2.152 1.079 weight 1.000 ! spec=HNH, no=1484, id=1474, vol=1.340000e+08
assign (resid 125 and name HN) (resid 124 and name HA) 2.151 2.151 1.078 weight 1.000 ! spec=HNH, no=1486, id=1476, vol=1.340000e+08
assign (resid 23 and name HN) (resid 23 and name HG22) 2.147 2.147 1.076 weight 1.000 ! spec=HNH, no=1487, id=1477, vol=1.350000e+08
or (resid 23 and name HN) (resid 23 and name HG21)
or (resid 23 and name HN) (resid 23 and name HG23)
assign (resid 109 and name HN) (resid 108 and name HB2) 2.139 2.139 1.072 weight 1.000 ! spec=HNH, no=1488, id=1478, vol=1.390000e+08
or (resid 109 and name HN) (resid 108 and name HB1)
assign (resid 21 and name HN) (resid 20 and name HA) 2.130 2.130 1.067 weight 1.000 ! spec=HNH, no=1489, id=1479, vol=1.420000e+08
assign (resid 28 and name HN) (resid 28 and name HB2) 2.129 2.129 1.067 weight 1.000 ! spec=HNH, no=1490, id=1480, vol=1.420000e+08
assign (resid 55 and name HN) (resid 55 and name HB2) 2.128 2.128 1.066 weight 1.000 ! spec=HNH, no=1492, id=1482, vol=1.430000e+08
assign (resid 117 and name HN) (resid 117 and name HB2) 2.126 2.126 1.065 weight 1.000 ! spec=HNH, no=1493, id=1483, vol=1.440000e+08
or (resid 117 and name HN) (resid 117 and name HB1)
assign (resid 6 and name HN) (resid 5 and name HA) 2.113 2.113 1.058 weight 1.000 ! spec=HNH, no=1495, id=1485, vol=1.490000e+08
assign (resid 126 and name HN) (resid 125 and name HA) 2.110 2.110 1.056 weight 1.000 ! spec=HNH, no=1496, id=1486, vol=1.510000e+08
assign (resid 72 and name HN) (resid 71 and name HA) 2.103 2.103 1.053 weight 1.000 ! spec=HNH, no=1498, id=1488, vol=1.540000e+08
assign (resid 110 and name HN) (resid 109 and name HA) 2.096 2.096 1.049 weight 1.000 ! spec=HNH, no=1500, id=1490, vol=1.570000e+08
assign (resid 4 and name HN) (resid 3 and name HA) 2.083 2.083 1.042 weight 1.000 ! spec=HNH, no=1502, id=1492, vol=1.630000e+08
assign (resid 117 and name HN) (resid 116 and name HA) 2.076 2.076 1.039 weight 1.000 ! spec=HNH, no=1503, id=1493, vol=1.660000e+08
assign (resid 24 and name HN) (resid 23 and name HB) 2.073 2.073 1.037 weight 1.000 ! spec=HNH, no=1504, id=1494, vol=1.670000e+08
assign (resid 36 and name HN) (resid 36 and name HA1) 2.070 2.070 1.035 weight 1.000 ! spec=HNH, no=1506, id=1496, vol=1.690000e+08
assign (resid 96 and name HN) (resid 95 and name HA) 2.067 2.067 1.034 weight 1.000 ! spec=HNH, no=1507, id=1497, vol=1.700000e+08
assign (resid 35 and name HN) (resid 35 and name HB2) 2.067 2.067 1.034 weight 1.000 ! spec=HNH, no=1508, id=1498, vol=1.700000e+08
assign (resid 26 and name HN) (resid 26 and name HG21) 2.056 2.056 1.028 weight 1.000 ! spec=HNH, no=1510, id=1500, vol=1.760000e+08
or (resid 26 and name HN) (resid 26 and name HG22)
or (resid 26 and name HN) (resid 26 and name HG23)
assign (resid 12 and name HN) (resid 11 and name HA) 2.047 2.047 1.024 weight 1.000 ! spec=HNH, no=1511, id=1501, vol=1.810000e+08
assign (resid 51 and name HN) (resid 51 and name HB2) 2.013 2.013 1.007 weight 1.000 ! spec=HNH, no=1516, id=1504, vol=1.990000e+08
or (resid 51 and name HN) (resid 51 and name HB1)
assign (resid 24 and name HN) (resid 23 and name HA) 2.013 2.013 1.006 weight 1.000 ! spec=HNH, no=1517, id=1505, vol=2.000000e+08
assign (resid 54 and name HN) (resid 54 and name HG) 1.992 1.992 0.996 weight 1.000 ! spec=HNH, no=1520, id=1508, vol=2.130000e+08
assign (resid 123 and name HE21) (resid 123 and name HE22) 1.979 1.979 0.989 weight 1.000 ! spec=HNH, no=1526, id=1514, vol=2.210000e+08
assign (resid 92 and name HN) (resid 91 and name HA) 1.978 1.978 0.989 weight 1.000 ! spec=HNH, no=1527, id=1515, vol=2.220000e+08
assign (resid 25 and name HD21) (resid 25 and name HD22) 1.973 1.973 0.986 weight 1.000 ! spec=HNH, no=1528, id=1516, vol=2.260000e+08
assign (resid 91 and name HN) (resid 90 and name HA) 1.961 1.961 0.981 weight 1.000 ! spec=HNH, no=1531, id=1519, vol=2.340000e+08
assign (resid 48 and name HN) (resid 48 and name HB2) 1.958 1.958 0.979 weight 1.000 ! spec=HNH, no=1532, id=1520, vol=2.360000e+08
or (resid 48 and name HN) (resid 48 and name HB1)
assign (resid 86 and name HD22) (resid 86 and name HD21) 1.866 1.866 0.935 weight 1.000 ! spec=HNH, no=1555, id=1536, vol=3.150000e+08
assign (resid 62 and name HD22) (resid 62 and name HD21) 1.816 1.816 0.912 weight 1.000 ! spec=HNH, no=1569, id=1548, vol=3.700000e+08
assign (resid 35 and name HN) (resid 34 and name HN) 1.728 1.728 0.873 weight 1.000 ! spec=HNH, no=1587, id=1565, vol=5.000000e+08
assign (resid 135 and name HN) (resid 136 and name HN) 1.709 1.709 0.865 weight 1.000 ! spec=HNH, no=1593, id=1570, vol=5.340000e+08
assign (resid 98 and name HD22) (resid 98 and name HD21) 1.706 1.706 0.864 weight 1.000 ! spec=HNH, no=1595, id=1572, vol=5.400000e+08
assign (resid 47 and name HE21) (resid 47 and name HE22) 1.619 1.619 0.827 weight 1.000 ! spec=HNH, no=1618, id=1594, vol=7.390000e+08
assign (resid 115 and name HD21) (resid 115 and name HD22) 1.587 1.587 0.815 weight 1.000 ! spec=HNH, no=1623, id=1599, vol=8.320000e+08
assign (resid 8 and name HE22) (resid 8 and name HE21) 1.550 1.550 0.8 weight 1.000 ! spec=HNH, no=1631, id=1607, vol=9.590000e+08
assign (resid 62 and name HD22) (resid 22 and name HE22) 1.413 1.413 0.75 weight 1.000 ! spec=HNH, no=1637, id=1613, vol=1.670000e+09
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