NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
537945 |
2loe   |
18210 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: tmp.pck ! Date: Fri Jul 8 15:05:48 EDT 2011 ! Path: /net/mcai/pf12-ph5/c13noe_h2o ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A tmp.pck 1209 348 286 103 472 ! Total 1209 348 286 103 472 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! assign (resid 2 and name HA ) (resid 2 and name HD# ) 2.5 0.7 2.5 ! A.1743 at 3.22e+06 assign (resid 2 and name HE# ) (resid 14 and name HB ) 2.5 0.7 3.5 ! A.143 at 4.83e+05 assign (resid 2 and name HB# ) (resid 16 and name HA ) 2.5 0.7 3.5 ! A.1293 at 7.03e+05 assign (resid 2 and name HG# ) (resid 17 and name HA ) 2.5 0.7 3.5 ! A.1049 at 8.77e+05 assign (resid 2 and name HB# ) (resid 17 and name HB# ) 2.5 0.7 3.5 ! A.1308 at 7.72e+05 assign (resid 2 and name HE# ) (resid 17 and name HA ) 2.5 0.7 3.5 ! A.1303 at 9.54e+05 assign (resid 2 and name HB# ) (resid 17 and name HA ) 2.5 0.7 3.5 ! A.1044 at -8.29e+05 assign (resid 3 and name HG2# ) (resid 3 and name HB ) 2.5 0.7 1.3 ! A.1069 at 8.67e+06 assign (resid 3 and name HG2# ) (resid 3 and name HA ) 2.5 0.7 1.3 ! A.1061 at 5.70e+06 assign (resid 3 and name HB ) (resid 3 and name HA ) 2.5 0.7 3.5 ! A.1057 at -1.50e+06 assign (resid 3 and name HA ) (resid 4 and name HB# ) 2.5 0.7 3.5 ! A.1060 at 5.35e+05 assign (resid 3 and name HG2# ) (resid 15 and name HG2# ) 2.5 0.7 1.8 ! A.1290 at 5.63e+06 assign (resid 3 and name HG1# ) (resid 15 and name HG2# ) 2.5 0.7 4.5 ! A.34 at 8.29e+05 assign (resid 3 and name HN ) (resid 15 and name HA ) 2.5 0.7 3.5 ! A.1173 at 5.72e+05 assign (resid 3 and name HB ) (resid 15 and name HG2# ) 2.5 0.7 4.0 ! A.8 at 1.72e+06 assign (resid 3 and name HG2# ) (resid 16 and name HD# ) 2.5 0.7 4.0 ! A.1299 at -6.08e+05 assign (resid 3 and name HB ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.9 at -1.13e+06 assign (resid 3 and name HG1# ) (resid 16 and name HD# ) 2.5 0.7 3.0 ! A.31 at 5.10e+06 assign (resid 3 and name HG1# ) (resid 16 and name HE# ) 2.5 0.7 4.0 ! A.171 at -1.80e+06 assign (resid 3 and name HG1# ) (resid 16 and name HZ ) 2.5 0.7 4.0 ! A.1107 at -1.04e+06 assign (resid 3 and name HG2# ) (resid 16 and name HE# ) 2.5 0.7 4.0 ! A.14 at 7.64e+05 assign (resid 3 and name HB ) (resid 16 and name HA ) 2.5 0.7 3.5 ! A.162 at 1.43e+06 assign (resid 3 and name HG2# ) (resid 16 and name HA ) 2.5 0.7 4.0 ! A.165 at 6.69e+05 assign (resid 3 and name HG1# ) (resid 16 and name HA ) 2.5 0.7 4.0 ! A.164 at 5.53e+05 assign (resid 3 and name HG1# ) (resid 47 and name HG ) 2.5 0.7 4.0 ! A.1496 at 2.62e+06 assign (resid 3 and name HA ) (resid 47 and name HD* ) 2.5 0.7 4.0 ! A.1490 at 4.70e+05 assign (resid 3 and name HG1# ) (resid 47 and name HB# ) 2.5 0.7 4.0 ! A.1481 at -1.78e+06 assign (resid 3 and name HG1# ) (resid 47 and name HA ) 2.5 0.7 4.0 ! A.1480 at 1.23e+06 assign (resid 3 and name HG1# ) (resid 48 and name HA ) 2.5 0.7 4.0 ! A.32 at 2.61e+06 assign (resid 3 and name HG1# ) (resid 49 and name HA# ) 2.5 0.7 4.0 ! A.1517 at -5.84e+05 assign (resid 3 and name HG2# ) (resid 96 and name HE# ) 2.5 0.7 3.0 ! A.18 at -4.31e+06 assign (resid 3 and name HG1# ) (resid 96 and name HE# ) 2.5 0.7 1.3 ! A.17 at -5.79e+06 assign (resid 3 and name HB ) (resid 96 and name HE# ) 2.5 0.7 3.5 ! A.1887 at -5.80e+05 assign (resid 4 and name HB# ) (resid 4 and name HE# ) 2.5 0.7 3.5 ! A.1088 at 7.39e+05 assign (resid 4 and name HG# ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.1096 at 3.78e+05 assign (resid 4 and name HD# ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.1099 at 9.86e+05 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 1.0 ! A.39 at 6.74e+06 assign (resid 4 and name HA ) (resid 17 and name HB# ) 2.5 0.7 3.5 ! A.1075 at 1.82e+06 assign (resid 4 and name HB# ) (resid 40 and name HG* ) 2.5 0.7 4.0 ! A.1087 at 1.47e+06 assign (resid 4 and name HE# ) (resid 42 and name HA ) 2.5 0.7 3.5 ! A.1455 at -5.40e+05 assign (resid 4 and name HB# ) (resid 48 and name HA ) 2.5 0.7 3.5 ! A.1078 at 4.81e+05 assign (resid 4 and name HB# ) (resid 48 and name HG2# ) 2.5 0.7 4.0 ! A.1086 at 2.92e+06 assign (resid 4 and name HN ) (resid 48 and name HA ) 2.5 0.7 3.5 ! A.338 at 1.35e+06 assign (resid 5 and name HA# ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.1298 at -4.34e+05 assign (resid 5 and name HN ) (resid 17 and name HA ) 2.5 0.7 3.5 ! A.174 at 6.21e+05 assign (resid 5 and name HA# ) (resid 40 and name HG* ) 2.5 0.7 3.0 ! A.1101 at -3.55e+06 assign (resid 5 and name HA# ) (resid 123 and name HZ ) 2.5 0.7 2.5 ! A.1130 at -3.05e+06 assign (resid 6 and name HA ) (resid 18 and name HB# ) 2.5 0.7 3.5 ! A.1221 at -9.49e+05 assign (resid 6 and name HB# ) (resid 20 and name HE# ) 2.5 0.7 3.5 ! A.961 at -8.11e+05 assign (resid 6 and name HB# ) (resid 38 and name HB# ) 2.5 0.7 3.5 ! A.58 at -5.05e+05 assign (resid 6 and name HB# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.53 at -9.49e+05 assign (resid 6 and name HB# ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.55 at -1.70e+06 assign (resid 7 and name HB# ) (resid 13 and name HB# ) 2.5 0.7 3.5 ! A.1260 at 7.31e+05 assign (resid 7 and name HB# ) (resid 13 and name HA ) 2.5 0.7 3.5 ! A.1161 at 5.99e+05 assign (resid 7 and name HN ) (resid 16 and name HB# ) 2.5 0.7 3.5 ! A.1093 at -4.29e+05 assign (resid 7 and name HB# ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.1114 at -9.52e+05 assign (resid 7 and name HN ) (resid 19 and name HA# ) 2.5 0.7 3.5 ! A.178 at -1.33e+06 assign (resid 7 and name HB# ) (resid 19 and name HA# ) 2.5 0.7 3.5 ! A.1311 at -6.90e+05 assign (resid 7 and name HA ) (resid 51 and name HB# ) 2.5 0.7 3.5 ! A.1533 at -9.99e+05 assign (resid 8 and name HD# ) (resid 8 and name HA ) 2.5 0.7 3.5 ! A.94 at -1.03e+06 assign (resid 8 and name HD# ) (resid 8 and name HB# ) 2.5 0.7 3.5 ! A.93 at -1.51e+06 assign (resid 8 and name HN ) (resid 9 and name HG2# ) 2.5 0.7 4.0 ! A.976 at 7.13e+05 assign (resid 8 and name HA ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.1117 at 5.08e+05 assign (resid 8 and name HA ) (resid 20 and name HD# ) 2.5 0.7 3.5 ! A.73 at -1.68e+06 assign (resid 8 and name HD# ) (resid 20 and name HD# ) 2.5 0.7 2.5 ! A.1321 at -3.74e+06 assign (resid 8 and name HA ) (resid 20 and name HB# ) 2.5 0.7 2.5 ! A.189 at 3.14e+06 assign (resid 8 and name HA ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.1118 at 7.20e+05 assign (resid 8 and name HD# ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.231 at -8.07e+05 assign (resid 8 and name HB# ) (resid 25 and name HD1# ) 2.5 0.7 4.0 ! A.1120 at -9.60e+05 assign (resid 8 and name HB# ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.1361 at 7.14e+05 assign (resid 8 and name HD# ) (resid 25 and name HD1# ) 2.5 0.7 4.0 ! A.1012 at 7.51e+05 assign (resid 8 and name HD# ) (resid 36 and name HG2# ) 2.5 0.7 4.0 ! A.255 at 1.51e+06 assign (resid 8 and name HB# ) (resid 52 and name HA ) 2.5 0.7 3.5 ! A.389 at -1.11e+06 assign (resid 8 and name HD# ) (resid 52 and name HA ) 2.5 0.7 3.5 ! A.387 at -1.22e+06 assign (resid 8 and name HB# ) (resid 53 and name HD# ) 2.5 0.7 3.5 ! A.400 at -4.28e+05 assign (resid 8 and name HD# ) (resid 53 and name HD# ) 2.5 0.7 3.5 ! A.398 at -3.57e+05 assign (resid 8 and name HD# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.87 at -8.09e+05 assign (resid 8 and name HB# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.880 at 1.67e+06 assign (resid 8 and name HE# ) (resid 121 and name HB# ) 2.5 0.7 3.5 ! A.2092 at -3.82e+05 !assign (resid 8 and name HD# ) (resid 123 and name HE# ) 2.5 0.7 2.5 ! A.85 at -4.02e+06 !assign (resid 8 and name HB# ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.1119 at -4.21e+05 assign (resid 9 and name HG2# ) (resid 9 and name HB ) 2.5 0.7 0.7 ! A.26 at 1.27e+07 assign (resid 9 and name HG2# ) (resid 9 and name HA ) 2.5 0.7 3.0 ! A.1062 at 3.92e+06 assign (resid 9 and name HG2# ) (resid 9 and name HN ) 2.5 0.7 4.0 ! A.11 at 2.35e+06 assign (resid 9 and name HB ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.1144 at 4.71e+05 assign (resid 9 and name HG2# ) (resid 51 and name HG# ) 2.5 0.7 4.0 ! A.1536 at 9.93e+05 assign (resid 9 and name HG2# ) (resid 51 and name HB# ) 2.5 0.7 4.0 ! A.1534 at -6.74e+05 assign (resid 9 and name HG2# ) (resid 52 and name HA ) 2.5 0.7 4.0 ! A.1064 at -1.04e+06 assign (resid 9 and name HG2# ) (resid 53 and name HB# ) 2.5 0.7 4.0 ! A.1551 at 1.16e+06 assign (resid 9 and name HG2# ) (resid 53 and name HD# ) 2.5 0.7 4.0 ! A.404 at -8.40e+05 assign (resid 10 and name HG2# ) (resid 10 and name HN ) 2.5 0.7 4.0 ! A.1146 at 2.75e+06 assign (resid 10 and name HB ) (resid 11 and name HN ) 2.5 0.7 3.5 ! A.114 at 1.17e+06 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 1.0 ! A.112 at 6.09e+06 assign (resid 10 and name HG2# ) (resid 11 and name HA ) 2.5 0.7 4.0 ! A.130 at 6.97e+05 assign (resid 10 and name HB ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.115 at 3.84e+05 assign (resid 10 and name HA ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.113 at 7.12e+05 assign (resid 10 and name HG2# ) (resid 13 and name HB# ) 2.5 0.7 4.0 ! A.141 at 2.22e+06 assign (resid 10 and name HG2# ) (resid 13 and name HA ) 2.5 0.7 1.3 ! A.119 at 6.10e+06 assign (resid 11 and name HB# ) (resid 11 and name HN ) 2.5 0.7 3.5 ! A.1153 at 2.14e+06 assign (resid 11 and name HA ) (resid 11 and name HN ) 2.5 0.7 2.5 ! A.1149 at 3.36e+06 assign (resid 11 and name HA ) (resid 19 and name HA# ) 2.5 0.7 2.5 ! A.129 at 3.38e+06 assign (resid 11 and name HA ) (resid 20 and name HA ) 2.5 0.7 3.5 ! A.1152 at 1.05e+06 assign (resid 11 and name HB# ) (resid 21 and name HB# ) 2.5 0.7 3.5 ! A.1329 at 6.16e+05 assign (resid 11 and name HN ) (resid 21 and name HB# ) 2.5 0.7 3.5 ! A.1326 at 3.41e+05 assign (resid 11 and name HA ) (resid 21 and name HN ) 2.5 0.7 3.5 ! A.1151 at 4.17e+05 assign (resid 12 and name HB# ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.1155 at 1.49e+06 assign (resid 12 and name HB# ) (resid 12 and name HA ) 2.5 0.7 3.5 ! A.1256 at 1.89e+06 assign (resid 12 and name HG# ) (resid 12 and name HA ) 2.5 0.7 3.5 ! A.1258 at -2.80e+06 assign (resid 12 and name HG# ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.1159 at -1.64e+06 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.1255 at 1.62e+06 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.5 0.7 2.5 ! A.135 at 3.81e+06 assign (resid 13 and name HB# ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.1164 at 2.28e+06 assign (resid 13 and name HA ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.1160 at 2.07e+06 assign (resid 13 and name HA ) (resid 14 and name HG2# ) 2.5 0.7 4.0 ! A.1259 at 6.86e+05 assign (resid 14 and name HB ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.1167 at 7.41e+05 assign (resid 14 and name HB ) (resid 14 and name HG2# ) 2.5 0.7 0.7 ! A.1264 at 1.14e+07 assign (resid 14 and name HG2# ) (resid 14 and name HN ) 2.5 0.7 4.0 ! A.1168 at 2.85e+06 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.1165 at 1.70e+06 assign (resid 14 and name HB ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.144 at 5.94e+05 assign (resid 14 and name HN ) (resid 15 and name HG1# ) 2.5 0.7 3.5 ! A.1276 at 3.80e+05 assign (resid 14 and name HG2# ) (resid 15 and name HN ) 2.5 0.7 4.0 ! A.146 at 1.00e+06 assign (resid 15 and name HG1# ) (resid 15 and name HG2# ) 2.5 0.7 4.0 ! A.1278 at 2.68e+06 assign (resid 15 and name HA ) (resid 15 and name HB ) 2.5 0.7 3.5 ! A.1273 at 2.56e+06 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.1172 at 2.07e+06 assign (resid 15 and name HA ) (resid 15 and name HG2# ) 2.5 0.7 3.0 ! A.1275 at 5.31e+06 assign (resid 15 and name HA ) (resid 15 and name HG1# ) 2.5 0.7 3.5 ! A.1274 at 2.35e+06 assign (resid 15 and name HB ) (resid 15 and name HG1# ) 2.5 0.7 3.5 ! A.1269 at -1.26e+06 assign (resid 15 and name HB ) (resid 15 and name HG2# ) 2.5 0.7 1.3 ! A.1267 at -5.64e+06 assign (resid 15 and name HB ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.1169 at -2.17e+06 assign (resid 15 and name HB ) (resid 15 and name HD1# ) 2.5 0.7 4.0 ! A.1268 at -2.30e+06 assign (resid 15 and name HG2# ) (resid 15 and name HN ) 2.5 0.7 4.0 ! A.1184 at 1.15e+06 assign (resid 15 and name HD1# ) (resid 15 and name HA ) 2.5 0.7 4.0 ! A.1280 at 1.16e+06 assign (resid 15 and name HD1# ) (resid 15 and name HG2# ) 2.5 0.7 1.8 ! A.1281 at 7.52e+06 assign (resid 15 and name HD1# ) (resid 15 and name HN ) 2.5 0.7 4.0 ! A.1181 at 9.42e+05 assign (resid 15 and name HN ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.167 at -3.85e+05 assign (resid 15 and name HG2# ) (resid 16 and name HD# ) 2.5 0.7 4.0 ! A.168 at -6.19e+05 assign (resid 15 and name HG2# ) (resid 16 and name HE# ) 2.5 0.7 4.0 ! A.170 at -5.33e+05 assign (resid 15 and name HG1# ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.1180 at 4.24e+05 assign (resid 15 and name HB ) (resid 16 and name HE# ) 2.5 0.7 3.5 ! A.1171 at -4.02e+05 assign (resid 15 and name HB ) (resid 16 and name HD# ) 2.5 0.7 3.5 ! A.1170 at -9.44e+05 assign (resid 15 and name HD1# ) (resid 16 and name HE# ) 2.5 0.7 4.0 ! A.152 at 1.27e+06 assign (resid 15 and name HD1# ) (resid 16 and name HN ) 2.5 0.7 4.0 ! A.1182 at 4.23e+05 assign (resid 15 and name HD1# ) (resid 16 and name HD# ) 2.5 0.7 4.0 ! A.151 at 9.40e+05 assign (resid 15 and name HD1# ) (resid 51 and name HG# ) 2.5 0.7 4.0 ! A.1535 at 7.46e+05 assign (resid 15 and name HG2# ) (resid 96 and name HE# ) 2.5 0.7 4.0 ! A.938 at 2.20e+06 assign (resid 15 and name HD1# ) (resid 96 and name HE# ) 2.5 0.7 4.0 ! A.739 at -7.93e+05 assign (resid 16 and name HD# ) (resid 16 and name HB# ) 2.5 0.7 3.5 ! A.65 at -1.56e+06 assign (resid 16 and name HD# ) (resid 16 and name HA ) 2.5 0.7 3.5 ! A.1297 at -1.20e+06 assign (resid 16 and name HD# ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.166 at -6.18e+05 assign (resid 16 and name HZ ) (resid 16 and name HE# ) 2.5 0.7 3.5 ! A.372 at -2.14e+06 assign (resid 16 and name HB# ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.1295 at -1.27e+06 assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.161 at 7.92e+05 assign (resid 16 and name HB# ) (resid 19 and name HA# ) 2.5 0.7 3.5 ! A.182 at -4.17e+05 assign (resid 16 and name HD# ) (resid 47 and name HD* ) 2.5 0.7 4.0 ! A.337 at 1.16e+06 assign (resid 16 and name HE# ) (resid 49 and name HA# ) 2.5 0.7 3.5 ! A.1514 at -7.35e+05 assign (resid 16 and name HD# ) (resid 50 and name HA ) 2.5 0.7 3.5 ! A.1518 at 4.95e+05 assign (resid 16 and name HE# ) (resid 51 and name HB# ) 2.5 0.7 3.5 ! A.1300 at -7.49e+05 assign (resid 16 and name HE# ) (resid 51 and name HG# ) 2.5 0.7 3.5 ! A.1301 at -4.89e+05 assign (resid 16 and name HD# ) (resid 51 and name HB# ) 2.5 0.7 3.5 ! A.1532 at -4.50e+05 assign (resid 16 and name HE# ) (resid 94 and name HG2# ) 2.5 0.7 4.0 ! A.1852 at 2.10e+06 assign (resid 17 and name HB# ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.1306 at 2.40e+06 assign (resid 17 and name HA ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.1302 at 2.71e+06 assign (resid 18 and name HB# ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.1310 at -2.02e+06 assign (resid 18 and name HG# ) (resid 19 and name HA# ) 2.5 0.7 3.5 ! A.1689 at 1.90e+06 assign (resid 18 and name HD# ) (resid 20 and name HE# ) 2.5 0.7 3.5 ! A.1323 at -5.87e+05 assign (resid 18 and name HE# ) (resid 40 and name HG* ) 2.5 0.7 4.0 ! A.2131 at 2.06e+06 assign (resid 19 and name HA# ) (resid 20 and name HD# ) 2.5 0.7 3.5 ! A.181 at -6.78e+05 assign (resid 20 and name HD# ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.195 at -1.61e+06 assign (resid 20 and name HD# ) (resid 20 and name HB# ) 2.5 0.7 2.5 ! A.419 at -3.36e+06 assign (resid 20 and name HB# ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.1314 at -8.45e+05 assign (resid 20 and name HB# ) (resid 20 and name HA ) 2.5 0.7 3.5 ! A.1318 at -1.43e+06 assign (resid 20 and name HE# ) (resid 20 and name HB# ) 2.5 0.7 3.5 ! A.962 at -5.56e+05 assign (resid 20 and name HD# ) (resid 21 and name HN ) 2.5 0.7 3.5 ! A.1320 at -5.97e+05 assign (resid 20 and name HD# ) (resid 24 and name HB# ) 2.5 0.7 3.5 ! A.1196 at 8.04e+05 assign (resid 20 and name HB# ) (resid 24 and name HB# ) 2.5 0.7 3.5 ! A.1200 at 7.22e+05 assign (resid 20 and name HD# ) (resid 24 and name HG# ) 2.5 0.7 3.5 ! A.194 at -1.29e+06 assign (resid 20 and name HB# ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.187 at -1.57e+06 assign ((resid 20 or resid 56) and name HE# ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.966 at 3.65e+05 assign ((resid 20 or resid 56) and name HD# ) (resid 25 and name HG2# ) 2.5 0.7 4.0 ! A.965 at 1.02e+06 assign (resid 20 and name HB# ) (resid 25 and name HD1# ) 2.5 0.7 4.0 ! A.1018 at 5.72e+05 assign ((resid 20 or resid 56) and name HD# ) (resid 25 and name HD1# ) 2.5 0.7 4.0 ! A.1011 at 7.32e+05 assign ((resid 20 or resid 56) and name HE# ) (resid 25 and name HD1# ) 2.5 0.7 4.0 ! A.1014 at 6.72e+05 assign (resid 20 and name HD# ) (resid 36 and name HD1# ) 2.5 0.7 4.0 ! A.191 at -6.13e+05 assign (resid 20 and name HD# ) (resid 36 and name HG2# ) 2.5 0.7 4.0 ! A.190 at -1.40e+06 assign (resid 20 and name HB# ) (resid 36 and name HG2# ) 2.5 0.7 4.0 ! A.259 at 5.15e+05 assign (resid 20 and name HE# ) (resid 36 and name HG2# ) 2.5 0.7 1.3 ! A.257 at 6.78e+06 assign (resid 20 and name HE# ) (resid 36 and name HD1# ) 2.5 0.7 4.0 ! A.248 at 9.26e+05 assign (resid 20 and name HE# ) (resid 38 and name HB# ) 2.5 0.7 3.5 ! A.200 at -1.74e+06 assign (resid 21 and name HB# ) (resid 22 and name HN ) 2.5 0.7 3.5 ! A.203 at 2.58e+06 assign (resid 21 and name HA ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.1344 at 1.65e+06 assign (resid 21 and name HB# ) (resid 24 and name HG# ) 2.5 0.7 3.5 ! A.206 at 7.20e+05 assign (resid 21 and name HB# ) (resid 24 and name HB# ) 2.5 0.7 3.5 ! A.205 at 4.53e+05 assign (resid 21 and name HN ) (resid 24 and name HG# ) 2.5 0.7 3.5 ! A.1356 at -9.31e+05 assign (resid 22 and name HG1# ) (resid 22 and name HA ) 2.5 0.7 3.5 ! A.1342 at 1.18e+06 assign (resid 22 and name HG1# ) (resid 22 and name HN ) 2.5 0.7 3.5 ! A.1341 at 1.47e+06 assign (resid 22 and name HA ) (resid 22 and name HN ) 2.5 0.7 2.5 ! A.220 at 3.32e+06 assign (resid 22 and name HA ) (resid 22 and name HB ) 2.5 0.7 0.8 ! A.1335 at 5.85e+06 assign (resid 22 and name HG2# ) (resid 22 and name HN ) 2.5 0.7 3.0 ! A.781 at 5.46e+06 assign (resid 22 and name HG2# ) (resid 22 and name HA ) 2.5 0.7 3.0 ! A.1343 at 4.59e+06 assign (resid 22 and name HB ) (resid 22 and name HN ) 2.5 0.7 2.5 ! A.208 at -5.11e+06 assign (resid 22 and name HD1# ) (resid 22 and name HN ) 2.5 0.7 4.0 ! A.213 at 8.20e+05 assign (resid 22 and name HD1# ) (resid 23 and name HN ) 2.5 0.7 4.0 ! A.214 at 3.16e+05 assign (resid 22 and name HA ) (resid 25 and name HB ) 2.5 0.7 2.5 assign (resid 22 and name HD1# ) (resid 26 and name HB# ) 2.5 0.7 4.0 ! A.1349 at 6.46e+05 assign (resid 22 and name HD1# ) (resid 26 and name HB# ) 2.5 0.7 3.0 ! A.1346 at 3.48e+05 assign (resid 23 and name HA ) (resid 26 and name HB# ) 2.5 0.7 2.5 assign (resid 24 and name HA ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.1352 at 3.24e+06 assign (resid 24 and name HG# ) (resid 24 and name HN ) 2.5 0.7 2.5 ! A.1357 at -3.78e+06 assign (resid 24 and name HG# ) (resid 25 and name HN ) 2.5 0.7 3.5 ! A.1355 at -1.13e+06 assign (resid 24 and name HB# ) (resid 36 and name HD1# ) 2.5 0.7 4.0 ! A.218 at 5.21e+05 assign (resid 24 and name HA ) (resid 36 and name HD1# ) 2.5 0.7 4.0 ! A.1389 at 6.43e+05 assign (resid 25 and name HG1# ) (resid 25 and name HN ) 2.5 0.7 3.5 ! A.1757 at 2.88e+06 assign (resid 25 and name HG1# ) (resid 25 and name HB ) 2.5 0.7 3.5 ! A.1758 at 2.91e+06 assign (resid 25 and name HA ) (resid 25 and name HB ) 2.5 0.7 0.8 ! A.1334 at 5.96e+06 assign (resid 25 and name HA ) (resid 25 and name HN ) 2.5 0.7 2.5 ! A.1330 at 3.30e+06 assign (resid 25 and name HG2# ) (resid 25 and name HA ) 2.5 0.7 1.3 ! A.1509 at 7.22e+06 assign (resid 25 and name HB ) (resid 25 and name HN ) 2.5 0.7 3.5 ! A.1336 at -1.86e+06 assign (resid 25 and name HD1# ) (resid 25 and name HN ) 2.5 0.7 4.0 ! A.1360 at 1.04e+06 assign (resid 25 and name HG1# ) (resid 26 and name HB# ) 2.5 0.7 3.5 ! A.236 at 1.34e+06 assign (resid 25 and name HN ) (resid 26 and name HB# ) 2.5 0.7 3.5 ! A.1363 at 5.11e+05 assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 3.5 ! A.207 at 2.65e+06 assign (resid 25 and name HB ) (resid 26 and name HN ) 2.5 0.7 3.5 ! A.1019 at -1.10e+06 assign (resid 25 and name HD1# ) (resid 26 and name HN ) 2.5 0.7 4.0 ! A.1013 at 6.02e+05 assign (resid 25 and name HA ) (resid 36 and name HD1# ) 2.5 0.7 3.0 ! A.1333 at 3.94e+06 assign (resid 25 and name HA ) (resid 36 and name HG2# ) 2.5 0.7 4.0 ! A.1332 at 1.32e+06 assign (resid 25 and name HG2# ) (resid 36 and name HD1# ) 2.5 0.7 1.8 ! A.1390 at 6.82e+06 assign (resid 25 and name HG2# ) (resid 36 and name HG2# ) 2.5 0.7 3.5 ! A.1023 at 5.29e+06 assign (resid 25 and name HD1# ) (resid 36 and name HG2# ) 2.5 0.7 3.5 ! A.1007 at 3.58e+06 assign (resid 25 and name HD1# ) (resid 56 and name HE# ) 2.5 0.7 4.0 ! A.1565 at -4.64e+05 assign (resid 25 and name HD1# ) (resid 118 and name HB# ) 2.5 0.7 4.0 ! A.1008 at 6.50e+05 assign (resid 25 and name HD1# ) (resid 121 and name HD* ) 2.5 0.7 3.5 ! A.2097 at 3.22e+06 assign (resid 25 and name HG2# ) (resid 121 and name HD* ) 2.5 0.7 1.8 ! A.2110 at 6.43e+06 assign (resid 25 and name HB ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.2107 at 2.82e+06 assign (resid 28 and name HB# ) (resid 28 and name HA ) 2.5 0.7 3.5 ! A.1056 at -2.71e+06 !assign (resid 28 and name HA ) (resid 119 and name HE# ) 2.5 0.7 3.5 assign (resid 30 and name HA ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.1248 at 1.01e+06 assign (resid 32 and name HD2# ) (resid 36 and name HA ) 2.5 0.7 3.5 ! A.1931 at 1.02e+06 assign (resid 33 and name HB# ) (resid 34 and name HN ) 2.5 0.7 3.5 ! A.1369 at 6.14e+05 assign (resid 33 and name HA ) (resid 34 and name HN ) 2.5 0.7 2.5 ! A.238 at 5.43e+06 assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.5 0.7 3.5 ! A.1379 at -1.67e+06 assign (resid 35 and name HB# ) (resid 120 and name HB# ) 2.5 0.7 3.5 ! A.1377 at -8.19e+05 assign (resid 35 and name HB# ) (resid 122 and name HG1# ) 2.5 0.7 3.0 ! A.1376 at -3.46e+06 assign (resid 35 and name HA ) (resid 122 and name HG1# ) 2.5 0.7 4.0 ! A.1409 at 6.68e+05 assign (resid 36 and name HA ) (resid 36 and name HG1# ) 2.5 0.7 3.5 ! A.1384 at 2.30e+06 assign (resid 36 and name HA ) (resid 36 and name HD1# ) 2.5 0.7 4.0 ! A.1383 at 2.44e+06 assign (resid 36 and name HA ) (resid 36 and name HN ) 2.5 0.7 3.5 ! A.1381 at 1.76e+06 assign (resid 36 and name HA ) (resid 36 and name HG2# ) 2.5 0.7 3.0 ! A.1382 at 4.93e+06 assign (resid 36 and name HA ) (resid 36 and name HB ) 2.5 0.7 3.5 ! A.1385 at 2.15e+06 assign (resid 36 and name HG2# ) (resid 36 and name HN ) 2.5 0.7 4.0 ! A.1394 at 1.02e+06 assign (resid 36 and name HB ) (resid 36 and name HN ) 2.5 0.7 2.5 ! A.1386 at -3.30e+06 assign (resid 36 and name HD1# ) (resid 36 and name HN ) 2.5 0.7 4.0 ! A.246 at 9.14e+05 assign (resid 36 and name HA ) (resid 37 and name HG2# ) 2.5 0.7 4.0 ! A.1407 at 1.52e+06 assign (resid 36 and name HB ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.243 at -4.64e+05 assign (resid 36 and name HD1# ) (resid 37 and name HN ) 2.5 0.7 4.0 ! A.245 at 7.54e+05 assign (resid 36 and name HA ) (resid 37 and name HB ) 2.5 0.7 3.5 ! A.1403 at -8.04e+05 assign (resid 36 and name HG2# ) (resid 38 and name HB# ) 2.5 0.7 4.0 ! A.258 at 8.69e+05 assign (resid 36 and name HG2# ) (resid 38 and name HN ) 2.5 0.7 4.0 ! A.1391 at 4.80e+05 assign (resid 36 and name HD1# ) (resid 119 and name HG# ) 2.5 0.7 3.0 ! A.253 at 3.44e+06 assign (resid 36 and name HD1# ) (resid 119 and name HD# ) 2.5 0.7 4.0 ! A.252 at 2.77e+06 assign (resid 36 and name HD1# ) (resid 119 and name HE# ) 2.5 0.7 4.0 ! A.250 at 2.02e+06 assign (resid 36 and name HB ) (resid 121 and name HA ) 2.5 0.7 3.5 ! A.2086 at -1.67e+06 assign (resid 36 and name HN ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.884 at 1.19e+06 assign (resid 36 and name HG1# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.2109 at 1.89e+06 assign (resid 36 and name HB ) (resid 121 and name HD* ) 2.5 0.7 1.3 ! A.2108 at 6.19e+06 assign (resid 36 and name HG2# ) (resid 122 and name HN ) 2.5 0.7 4.0 ! A.1392 at 6.43e+05 assign (resid 36 and name HB ) (resid 122 and name HN ) 2.5 0.7 3.5 ! A.242 at -6.03e+05 !assign (resid 36 and name HG2# ) (resid 123 and name HE# ) 2.5 0.7 4.0 ! A.899 at -2.71e+06 assign (resid 37 and name HG1# ) (resid 37 and name HA ) 2.5 0.7 1.3 ! A.1427 at 5.74e+06 assign (resid 37 and name HG1# ) (resid 37 and name HB ) 2.5 0.7 0.7 ! A.2117 at 1.10e+07 assign (resid 37 and name HG2# ) (resid 37 and name HA ) 2.5 0.7 1.3 ! A.1372 at 6.04e+06 assign (resid 37 and name HG2# ) (resid 37 and name HB ) 2.5 0.7 0.7 ! A.1411 at 1.16e+07 assign (resid 37 and name HA ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.1399 at 1.27e+06 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 1.0 ! A.260 at 5.96e+06 assign (resid 37 and name HG1# ) (resid 39 and name HA ) 2.5 0.7 4.0 ! A.1429 at 4.57e+05 assign (resid 37 and name HG1# ) (resid 110 and name HB# ) 2.5 0.7 4.0 ! A.994 at -1.86e+06 assign (resid 37 and name HG1# ) (resid 110 and name HA ) 2.5 0.7 4.0 ! A.823 at 6.72e+05 assign (resid 37 and name HA ) (resid 122 and name HB ) 2.5 0.7 2.5 ! A.1400 at 4.12e+06 assign (resid 37 and name HA ) (resid 122 and name HN ) 2.5 0.7 3.5 ! A.261 at 1.49e+06 assign (resid 37 and name HG1# ) (resid 123 and name HA ) 2.5 0.7 4.0 ! A.2118 at 7.19e+05 assign (resid 37 and name HG1# ) (resid 124 and name HB ) 2.5 0.7 4.0 ! A.911 at 2.92e+06 assign (resid 37 and name HG1# ) (resid 124 and name HN ) 2.5 0.7 4.0 ! A.1421 at 9.63e+05 assign (resid 37 and name HG1# ) (resid 124 and name HA ) 2.5 0.7 4.0 ! A.907 at 9.47e+05 assign (resid 38 and name HB# ) (resid 38 and name HA ) 2.5 0.7 3.5 ! A.1436 at -1.36e+06 assign (resid 38 and name HB# ) (resid 38 and name HN ) 2.5 0.7 3.5 ! A.1437 at -2.16e+06 assign (resid 38 and name HA ) (resid 38 and name HN ) 2.5 0.7 3.5 ! A.1435 at 7.30e+05 assign (resid 38 and name HA ) (resid 39 and name HB ) 2.5 0.7 3.5 ! A.276 at 4.33e+05 assign (resid 38 and name HB# ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.270 at -2.47e+06 assign (resid 38 and name HB# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.271 at -2.08e+06 assign (resid 38 and name HB# ) (resid 123 and name HA ) 2.5 0.7 3.5 ! A.269 at -8.89e+05 assign (resid 38 and name HB# ) (resid 123 and name HZ ) 2.5 0.7 3.5 ! A.902 at -1.73e+06 assign (resid 38 and name HN ) (resid 124 and name HG2# ) 2.5 0.7 4.0 ! A.2128 at 3.80e+05 assign (resid 39 and name HB ) (resid 39 and name HN ) 2.5 0.7 2.5 ! A.275 at 4.47e+06 assign (resid 39 and name HG2# ) (resid 39 and name HA ) 2.5 0.7 3.0 ! A.2154 at 4.48e+06 assign (resid 39 and name HG2# ) (resid 39 and name HB ) 2.5 0.7 0.7 ! A.289 at 1.06e+07 assign (resid 39 and name HA ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.1438 at 1.38e+06 assign (resid 39 and name HA ) (resid 124 and name HB ) 2.5 0.7 2.5 ! A.910 at 3.36e+06 assign (resid 40 and name HG* ) (resid 40 and name HN ) 2.5 0.7 3.0 ! A.288 at 3.88e+06 assign (resid 40 and name HA ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.282 at 1.71e+06 assign (resid 40 and name HB ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.284 at -2.50e+06 assign (resid 40 and name HB ) (resid 40 and name HA ) 2.5 0.7 3.5 ! A.285 at -2.78e+06 assign (resid 40 and name HA ) (resid 41 and name HA# ) 2.5 0.7 3.5 ! A.1452 at 7.53e+05 assign (resid 40 and name HA ) (resid 41 and name HB# ) 2.5 0.7 3.5 ! A.1453 at 7.87e+05 assign (resid 40 and name HB ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.283 at -1.95e+06 assign (resid 40 and name HG* ) (resid 123 and name HZ ) 2.5 0.7 3.0 ! A.457 at 3.65e+06 assign (resid 40 and name HG* ) (resid 123 and name HD# ) 2.5 0.7 4.0 ! A.985 at 1.19e+06 assign (resid 40 and name HB ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.2148 at 2.03e+06 assign (resid 40 and name HG* ) (resid 125 and name HG* ) 2.5 0.7 1.8 ! A.2150 at 9.34e+06 assign (resid 40 and name HB ) (resid 125 and name HA ) 2.5 0.7 3.5 ! A.915 at 1.31e+06 assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.5 0.7 2.5 ! A.1451 at 3.31e+06 assign (resid 41 and name HA# ) (resid 41 and name HN ) 2.5 0.7 2.5 ! A.1450 at 3.16e+06 assign (resid 41 and name HA ) (resid 41 and name HN ) 2.5 0.7 2.5 ! A.1448 at 4.23e+06 assign (resid 41 and name HD# ) (resid 42 and name HN ) 2.5 0.7 3.5 ! A.1454 at 5.84e+05 assign (resid 41 and name HA ) (resid 42 and name HB# ) 2.5 0.7 4.0 ! A.296 at 1.38e+06 assign (resid 42 and name HB# ) (resid 42 and name HN ) 2.5 0.7 1.5 ! A.145 at 9.31e+06 assign (resid 42 and name HB# ) (resid 46 and name HB# ) 2.5 0.7 4.0 ! A.1266 at 9.02e+05 assign (resid 42 and name HA ) (resid 48 and name HG2# ) 2.5 0.7 4.0 ! A.292 at -2.23e+06 assign (resid 42 and name HB# ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.808 at 8.73e+05 assign (resid 42 and name HB# ) (resid 107 and name HH2 ) 2.5 0.7 4.0 ! A.293 at 2.25e+06 assign (resid 42 and name HA ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.1457 at -4.87e+05 assign (resid 42 and name HB# ) (resid 125 and name HG* ) 2.5 0.7 3.5 ! A.918 at 5.31e+06 assign (resid 42 and name HB# ) (resid 125 and name HB ) 2.5 0.7 1.3 ! A.299 at 5.85e+06 assign (resid 42 and name HB# ) (resid 126 and name HN ) 2.5 0.7 4.0 ! A.295 at 7.87e+05 assign (resid 42 and name HN ) (resid 127 and name HA ) 2.5 0.7 3.5 ! A.926 at -1.64e+06 assign (resid 42 and name HB# ) (resid 127 and name HA ) 2.5 0.7 4.0 ! A.927 at -2.19e+06 assign (resid 42 and name HN ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.280 at 7.13e+05 assign (resid 43 and name HD2 ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.306 at -3.90e+05 assign (resid 43 and name HD2 ) (resid 43 and name HA# ) 2.5 0.7 3.5 ! A.1461 at -6.04e+05 assign (resid 43 and name HA ) (resid 43 and name HD2 ) 2.5 0.7 3.5 ! A.301 at 8.66e+05 assign (resid 43 and name HB# ) (resid 44 and name HB# ) 2.5 0.7 4.0 ! A.304 at 8.21e+05 assign (resid 43 and name HA# ) (resid 44 and name HB# ) 2.5 0.7 4.0 ! A.305 at 6.56e+05 assign (resid 43 and name HA ) (resid 44 and name HB# ) 2.5 0.7 4.0 ! A.315 at 1.03e+06 assign (resid 43 and name HA ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.785 at 1.16e+06 assign (resid 43 and name HN ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.1949 at 3.83e+05 assign (resid 44 and name HB# ) (resid 45 and name HB# ) 2.5 0.7 4.0 ! A.1470 at 8.87e+05 assign (resid 44 and name HB# ) (resid 45 and name HA ) 2.5 0.7 4.0 ! A.1472 at 9.85e+05 assign (resid 44 and name HA ) (resid 99 and name HB# ) 2.5 0.7 3.5 ! A.758 at -7.80e+05 assign (resid 44 and name HB# ) (resid 101 and name HA ) 2.5 0.7 1.3 ! A.318 at 7.02e+06 assign (resid 44 and name HB# ) (resid 102 and name HA ) 2.5 0.7 4.0 ! A.316 at 1.60e+06 assign (resid 44 and name HB# ) (resid 103 and name HN ) 2.5 0.7 4.0 ! A.314 at 1.72e+06 assign (resid 44 and name HB# ) (resid 103 and name HD1# ) 2.5 0.7 3.5 ! A.791 at 3.70e+06 assign (resid 44 and name HA ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.787 at 2.17e+06 assign (resid 44 and name HA ) (resid 103 and name HG1# ) 2.5 0.7 3.5 ! A.1468 at 9.63e+05 assign (resid 44 and name HA ) (resid 103 and name HG2# ) 2.5 0.7 4.0 ! A.1464 at 1.21e+06 assign (resid 45 and name HB# ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.1474 at -5.21e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.321 at 1.48e+06 assign (resid 45 and name HN ) (resid 101 and name HA ) 2.5 0.7 3.5 ! A.1930 at 1.65e+06 assign (resid 46 and name HA ) (resid 47 and name HB# ) 2.5 0.7 3.5 ! A.329 at -4.59e+05 assign (resid 46 and name HB# ) (resid 48 and name HG2# ) 2.5 0.7 3.0 ! A.1477 at -3.11e+06 assign (resid 46 and name HN ) (resid 99 and name HG ) 2.5 0.7 3.5 ! A.1905 at 5.22e+05 assign (resid 46 and name HN ) (resid 99 and name HD* ) 2.5 0.7 4.0 ! A.763 at 4.43e+05 assign (resid 46 and name HB# ) (resid 99 and name HD* ) 2.5 0.7 4.0 ! A.1909 at 6.01e+05 assign (resid 47 and name HD* ) (resid 47 and name HN ) 2.5 0.7 4.0 ! A.334 at 5.68e+05 assign (resid 47 and name HA ) (resid 47 and name HN ) 2.5 0.7 3.5 ! A.1479 at 1.30e+06 assign (resid 47 and name HG ) (resid 48 and name HN ) 2.5 0.7 3.5 ! A.1492 at 7.73e+05 assign (resid 47 and name HD* ) (resid 48 and name HN ) 2.5 0.7 4.0 ! A.336 at 3.57e+05 assign (resid 47 and name HB# ) (resid 48 and name HN ) 2.5 0.7 3.5 ! A.328 at -6.79e+05 !assign (resid 47 and name HG ) (resid 96 and name HD# ) 2.5 0.7 3.5 ! A.1493 at 7.02e+05 assign (resid 47 and name HD* ) (resid 96 and name HE# ) 2.5 0.7 4.0 ! A.1489 at 4.62e+05 assign (resid 47 and name HD* ) (resid 96 and name HB# ) 2.5 0.7 4.0 ! A.1486 at 1.16e+06 assign (resid 47 and name HD* ) (resid 97 and name HN ) 2.5 0.7 4.0 ! A.1482 at 1.04e+06 assign (resid 47 and name HA ) (resid 98 and name HG# ) 2.5 0.7 3.5 ! A.1899 at 4.65e+05 assign (resid 47 and name HD* ) (resid 98 and name HD# ) 2.5 0.7 3.0 ! A.1488 at 3.27e+06 assign (resid 47 and name HD* ) (resid 98 and name HN ) 2.5 0.7 4.0 ! A.1483 at 6.17e+05 assign (resid 47 and name HA ) (resid 98 and name HA ) 2.5 0.7 2.5 ! A.326 at 3.87e+06 assign (resid 47 and name HD* ) (resid 98 and name HA ) 2.5 0.7 4.0 ! A.1528 at 1.34e+06 assign (resid 48 and name HG1# ) (resid 48 and name HN ) 2.5 0.7 3.5 ! A.1503 at 1.52e+06 assign (resid 48 and name HB ) (resid 48 and name HA ) 2.5 0.7 2.5 ! A.1502 at -3.85e+06 assign (resid 48 and name HG2# ) (resid 48 and name HA ) 2.5 0.7 3.0 ! A.227 at 5.24e+06 assign (resid 48 and name HG2# ) (resid 48 and name HN ) 2.5 0.7 4.0 ! A.341 at 1.49e+06 assign (resid 48 and name HA ) (resid 48 and name HN ) 2.5 0.7 3.5 ! A.339 at 1.43e+06 assign (resid 48 and name HD1# ) (resid 48 and name HN ) 2.5 0.7 4.0 ! A.342 at 1.11e+06 assign (resid 48 and name HD1# ) (resid 48 and name HA ) 2.5 0.7 4.0 ! A.1512 at 7.46e+05 assign (resid 48 and name HD1# ) (resid 49 and name HN ) 2.5 0.7 4.0 ! A.1030 at 6.34e+05 assign (resid 48 and name HD1# ) (resid 81 and name HD* ) 2.5 0.7 4.5 ! A.1241 at 6.49e+05 assign (resid 48 and name HG1# ) (resid 97 and name HN ) 2.5 0.7 3.5 ! A.1504 at 5.92e+05 assign (resid 48 and name HD1# ) (resid 97 and name HN ) 2.5 0.7 4.0 ! A.1031 at 3.29e+05 assign (resid 48 and name HN ) (resid 98 and name HA ) 2.5 0.7 3.5 ! A.753 at 1.33e+06 assign (resid 48 and name HD1# ) (resid 99 and name HG ) 2.5 0.7 4.0 ! A.1513 at 1.54e+06 assign (resid 48 and name HG2# ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.1215 at 2.73e+06 assign (resid 48 and name HD1# ) (resid 107 and name HH2 ) 2.5 0.7 4.0 ! A.1209 at 8.55e+05 assign (resid 48 and name HD1# ) (resid 107 and name HZ2 ) 2.5 0.7 3.0 ! A.1032 at 5.10e+06 assign (resid 48 and name HD1# ) (resid 109 and name HE# ) 2.5 0.7 4.0 ! A.1764 at -1.06e+06 assign (resid 48 and name HG1# ) (resid 109 and name HZ ) 2.5 0.7 3.5 ! A.1506 at 8.49e+05 assign (resid 48 and name HD1# ) (resid 109 and name HZ ) 2.5 0.7 3.0 ! A.2004 at -4.01e+06 assign (resid 48 and name HB ) (resid 109 and name HZ ) 2.5 0.7 3.5 ! A.2002 at -1.54e+06 assign (resid 48 and name HA ) (resid 109 and name HZ ) 2.5 0.7 3.5 ! A.1497 at 4.57e+05 assign (resid 48 and name HG1# ) (resid 123 and name HZ ) 2.5 0.7 3.5 ! A.1505 at 5.21e+05 assign (resid 48 and name HB ) (resid 123 and name HZ ) 2.5 0.7 3.5 ! A.1500 at -7.61e+05 assign (resid 48 and name HB ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.2147 at 5.36e+05 assign (resid 48 and name HD1# ) (resid 125 and name HG* ) 2.5 0.7 1.8 ! A.345 at 6.67e+06 assign (resid 49 and name HA# ) (resid 96 and name HA ) 2.5 0.7 3.5 ! A.349 at -1.80e+06 assign (resid 49 and name HA# ) (resid 96 and name HD# ) 2.5 0.7 3.5 ! A.352 at -5.25e+05 assign (resid 49 and name HN ) (resid 109 and name HZ ) 2.5 0.7 3.5 ! A.1998 at -7.49e+05 assign (resid 50 and name HD# ) (resid 50 and name HN ) 2.5 0.7 3.5 ! A.364 at -6.05e+05 assign (resid 50 and name HE# ) (resid 50 and name HZ ) 2.5 0.7 3.5 ! A.1217 at -2.98e+06 assign (resid 50 and name HB# ) (resid 50 and name HD# ) 2.5 0.7 3.5 ! A.360 at -1.51e+06 assign (resid 50 and name HA ) (resid 50 and name HD# ) 2.5 0.7 3.5 ! A.358 at 7.20e+05 assign (resid 50 and name HD# ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.1524 at -3.44e+05 assign (resid 50 and name HE# ) (resid 58 and name HG2# ) 2.5 0.7 4.0 ! A.376 at -7.92e+05 assign (resid 50 and name HE# ) (resid 58 and name HG1# ) 2.5 0.7 4.0 ! A.377 at -1.00e+06 assign (resid 50 and name HZ ) (resid 58 and name HG2# ) 2.5 0.7 4.0 ! A.103 at -1.60e+06 assign (resid 50 and name HZ ) (resid 58 and name HG1# ) 2.5 0.7 4.0 ! A.1194 at -9.97e+05 assign (resid 50 and name HZ ) (resid 63 and name HB# ) 2.5 0.7 3.5 ! A.1141 at -5.34e+05 assign (resid 50 and name HE# ) (resid 95 and name HD# ) 2.5 0.7 3.5 ! A.1870 at -2.13e+06 assign (resid 50 and name HE# ) (resid 95 and name HB# ) 2.5 0.7 3.5 ! A.382 at -3.58e+05 assign (resid 50 and name HZ ) (resid 95 and name HB# ) 2.5 0.7 3.5 ! A.379 at -3.58e+05 assign (resid 50 and name HD# ) (resid 109 and name HZ ) 2.5 0.7 3.5 ! A.1522 at -1.07e+06 assign (resid 50 and name HZ ) (resid 111 and name HB# ) 2.5 0.7 3.5 ! A.2018 at -4.27e+05 assign (resid 50 and name HE# ) (resid 111 and name HB# ) 2.5 0.7 3.5 ! A.1137 at -4.30e+05 assign (resid 50 and name HZ ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.2026 at 7.77e+05 assign (resid 50 and name HE# ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.2027 at 1.58e+06 assign (resid 50 and name HD# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.365 at -5.76e+05 assign (resid 50 and name HD# ) (resid 123 and name HZ ) 2.5 0.7 3.5 ! A.1523 at -9.32e+05 assign (resid 50 and name HD# ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.1521 at -6.59e+05 assign (resid 50 and name HE# ) (resid 123 and name HZ ) 2.5 0.7 3.5 ! A.1219 at -5.14e+05 assign (resid 50 and name HE# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.373 at -1.27e+06 assign (resid 50 and name HB# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.363 at -7.78e+05 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.1894 at 8.27e+05 assign (resid 51 and name HB# ) (resid 94 and name HG2# ) 2.5 0.7 4.0 ! A.1854 at 2.72e+06 assign (resid 51 and name HD# ) (resid 94 and name HG2# ) 2.5 0.7 4.0 ! A.1855 at 2.31e+06 assign (resid 51 and name HA ) (resid 94 and name HA ) 2.5 0.7 3.5 ! A.1826 at 1.88e+06 assign (resid 51 and name HB# ) (resid 94 and name HA ) 2.5 0.7 3.5 ! A.1847 at 5.22e+05 assign (resid 51 and name HA ) (resid 95 and name HN ) 2.5 0.7 3.5 ! A.385 at 9.47e+05 assign (resid 52 and name HB# ) (resid 52 and name HN ) 2.5 0.7 3.5 ! A.1538 at -1.96e+06 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 3.5 ! A.1539 at -1.05e+06 assign (resid 52 and name HA ) (resid 53 and name HG# ) 2.5 0.7 3.5 ! A.1537 at -4.26e+05 assign (resid 52 and name HA ) (resid 53 and name HD# ) 2.5 0.7 2.5 ! A.391 at -5.00e+06 assign (resid 52 and name HB# ) (resid 53 and name HD# ) 2.5 0.7 3.5 ! A.1552 at -8.24e+05 assign (resid 52 and name HB2 ) (resid 53 and name HD# ) 2.5 0.7 3.5 ! A.1544 at -2.11e+06 assign (resid 52 and name HB# ) (resid 58 and name HG1# ) 2.5 0.7 4.0 ! A.1546 at -8.92e+05 assign (resid 52 and name HB2 ) (resid 58 and name HG1# ) 2.5 0.7 4.0 ! A.1545 at -4.66e+05 assign (resid 52 and name HB2 ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.1540 at -9.11e+05 assign (resid 52 and name HB# ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.1541 at -1.29e+06 assign (resid 52 and name HB2 ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.1542 at -1.48e+06 assign (resid 52 and name HB# ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.1543 at -1.67e+06 assign (resid 52 and name HA ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.388 at -9.47e+05 assign (resid 52 and name HB2 ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.1547 at -5.72e+05 assign (resid 53 and name HB# ) (resid 56 and name HE# ) 2.5 0.7 3.5 ! A.406 at 8.61e+05 assign (resid 53 and name HB# ) (resid 56 and name HD# ) 2.5 0.7 3.5 ! A.405 at 1.54e+06 assign (resid 53 and name HD# ) (resid 56 and name HD# ) 2.5 0.7 3.5 ! A.397 at -5.74e+05 assign (resid 53 and name HG# ) (resid 56 and name HD# ) 2.5 0.7 3.5 ! A.425 at -4.41e+05 assign (resid 53 and name HG# ) (resid 56 and name HE# ) 2.5 0.7 3.5 ! A.410 at 5.75e+05 assign (resid 53 and name HD# ) (resid 56 and name HB# ) 2.5 0.7 3.5 ! A.1561 at -7.61e+05 assign (resid 53 and name HD# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.402 at -1.80e+06 assign (resid 53 and name HG# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.412 at 1.12e+06 assign (resid 54 and name HB# ) (resid 54 and name HN ) 2.5 0.7 2.5 ! A.1556 at 4.55e+06 assign (resid 54 and name HB# ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1557 at 1.55e+06 assign (resid 54 and name HA ) (resid 93 and name HD2# ) 2.5 0.7 3.5 ! A.1553 at 2.32e+06 assign (resid 54 and name HA ) (resid 93 and name HB# ) 2.5 0.7 3.5 ! A.1555 at 1.25e+06 assign (resid 55 and name HN ) (resid 56 and name HD# ) 2.5 0.7 3.5 ! A.999 at -5.83e+05 assign (resid 55 and name HN ) (resid 56 and name HE# ) 2.5 0.7 3.5 ! A.426 at -6.09e+05 assign (resid 55 and name HD2# ) (resid 115 and name HE# ) 2.5 0.7 3.5 ! A.2066 at -7.57e+05 assign (resid 56 and name HD# ) (resid 56 and name HB# ) 2.5 0.7 2.5 ! A.421 at -3.54e+06 assign (resid 56 and name HD# ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.998 at -1.44e+06 assign (resid 56 and name HD# ) (resid 56 and name HA ) 2.5 0.7 3.5 ! A.2009 at -6.22e+05 assign (resid 56 and name HE# ) (resid 56 and name HB# ) 2.5 0.7 3.5 ! A.436 at -4.11e+05 assign (resid 56 and name HE# ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.431 at -3.05e+05 assign (resid 56 and name HD# ) (resid 113 and name HA ) 2.5 0.7 3.5 ! A.2030 at -4.56e+05 assign (resid 56 and name HB# ) (resid 113 and name HA ) 2.5 0.7 3.5 ! A.2031 at -5.98e+05 assign (resid 56 and name HD# ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.417 at -1.54e+06 assign (resid 56 and name HB# ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.1559 at -1.59e+06 assign (resid 56 and name HE# ) (resid 113 and name HB# ) 2.5 0.7 3.5 ! A.1568 at -3.66e+05 assign (resid 56 and name HD# ) (resid 114 and name HA ) 2.5 0.7 3.5 ! A.1563 at -8.97e+05 assign (resid 56 and name HE# ) (resid 114 and name HA ) 2.5 0.7 3.5 ! A.428 at 5.83e+05 assign (resid 56 and name HE# ) (resid 114 and name HN ) 2.5 0.7 3.5 ! A.430 at -3.37e+05 assign (resid 56 and name HA ) (resid 115 and name HG# ) 2.5 0.7 3.5 ! A.2064 at 4.24e+05 assign (resid 56 and name HD# ) (resid 115 and name HG# ) 2.5 0.7 3.5 ! A.2063 at 4.14e+05 assign (resid 56 and name HE# ) (resid 115 and name HG# ) 2.5 0.7 3.5 ! A.2061 at 6.75e+05 assign (resid 56 and name HD# ) (resid 115 and name HD# ) 2.5 0.7 3.5 ! A.2057 at 4.51e+05 assign (resid 56 and name HA ) (resid 115 and name HD# ) 2.5 0.7 3.5 ! A.2058 at 6.44e+05 assign (resid 56 and name HE# ) (resid 115 and name HB# ) 2.5 0.7 3.5 ! A.2052 at -4.07e+05 assign (resid 56 and name HA ) (resid 115 and name HB# ) 2.5 0.7 3.5 ! A.2053 at -8.18e+05 assign (resid 56 and name HD# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.423 at -6.12e+05 assign (resid 56 and name HE# ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.876 at 2.15e+06 assign (resid 56 and name HA ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.2101 at 5.92e+05 assign (resid 56 and name HE# ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.1564 at -3.51e+05 assign (resid 57 and name HB# ) (resid 57 and name HN ) 2.5 0.7 2.5 ! A.1570 at 3.17e+06 assign (resid 57 and name HB# ) (resid 58 and name HN ) 2.5 0.7 2.5 ! A.447 at 3.05e+06 assign (resid 57 and name HA ) (resid 58 and name HG1# ) 2.5 0.7 4.0 ! A.1569 at 1.23e+06 assign (resid 57 and name HN ) (resid 115 and name HD# ) 2.5 0.7 3.5 ! A.2056 at 3.81e+05 assign (resid 58 and name HG1# ) (resid 58 and name HA ) 2.5 0.7 3.0 ! A.1573 at 3.02e+06 assign (resid 58 and name HG1# ) (resid 58 and name HN ) 2.5 0.7 3.0 ! A.452 at 3.88e+06 assign (resid 58 and name HA ) (resid 58 and name HN ) 2.5 0.7 3.5 ! A.1621 at 1.10e+06 assign (resid 58 and name HG2# ) (resid 58 and name HN ) 2.5 0.7 4.0 ! A.460 at 1.80e+06 assign (resid 58 and name HB ) (resid 58 and name HN ) 2.5 0.7 2.5 ! A.1572 at -4.40e+06 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 1.0 ! A.448 at 5.61e+06 assign (resid 58 and name HG2# ) (resid 59 and name HN ) 2.5 0.7 4.0 ! A.458 at 2.41e+06 assign (resid 58 and name HG2# ) (resid 63 and name HB# ) 2.5 0.7 4.0 ! A.1580 at -2.24e+06 assign (resid 58 and name HG2# ) (resid 90 and name HE1 ) 2.5 0.7 4.0 ! A.1575 at 3.66e+05 assign (resid 58 and name HG1# ) (resid 93 and name HB# ) 2.5 0.7 4.0 ! A.1845 at -4.55e+05 assign (resid 58 and name HG2# ) (resid 95 and name HD# ) 2.5 0.7 4.0 ! A.1872 at -3.35e+05 assign (resid 58 and name HG1# ) (resid 95 and name HE# ) 2.5 0.7 3.0 ! A.455 at 4.55e+06 assign (resid 58 and name HG2# ) (resid 95 and name HE# ) 2.5 0.7 4.0 ! A.466 at -8.16e+05 assign (resid 58 and name HG2# ) (resid 95 and name HZ ) 2.5 0.7 4.0 ! A.706 at -5.60e+05 assign (resid 58 and name HB ) (resid 95 and name HZ ) 2.5 0.7 3.5 ! A.708 at -4.37e+05 assign (resid 58 and name HG1# ) (resid 95 and name HZ ) 2.5 0.7 4.0 ! A.707 at -5.91e+05 assign (resid 58 and name HB ) (resid 95 and name HE# ) 2.5 0.7 3.5 ! A.1622 at -5.62e+05 assign (resid 58 and name HG2# ) (resid 111 and name HB# ) 2.5 0.7 4.0 ! A.833 at -5.19e+05 assign (resid 58 and name HG2# ) (resid 112 and name HN ) 2.5 0.7 4.0 ! A.459 at 5.20e+05 assign (resid 58 and name HA ) (resid 113 and name HA ) 2.5 0.7 3.5 ! A.847 at -2.67e+06 assign (resid 58 and name HG2# ) (resid 113 and name HA ) 2.5 0.7 4.0 ! A.849 at -3.92e+05 assign (resid 58 and name HG1# ) (resid 113 and name HA ) 2.5 0.7 4.0 ! A.850 at -1.30e+06 assign (resid 58 and name HG1# ) (resid 113 and name HB# ) 2.5 0.7 4.0 ! A.1574 at 1.10e+06 assign (resid 59 and name HG# ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.1624 at -6.95e+05 assign (resid 59 and name HB# ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.474 at -1.01e+06 assign (resid 59 and name HB# ) (resid 68 and name HE# ) 2.5 0.7 3.5 ! A.1585 at -8.83e+05 assign (resid 59 and name HB# ) (resid 68 and name HZ ) 2.5 0.7 3.5 ! A.1593 at -6.47e+05 assign (resid 59 and name HG# ) (resid 68 and name HZ ) 2.5 0.7 3.5 ! A.1594 at -5.77e+05 assign (resid 59 and name HN ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.1070 at 7.08e+05 assign (resid 59 and name HN ) (resid 112 and name HB ) 2.5 0.7 3.5 ! A.839 at -5.17e+05 assign (resid 59 and name HN ) (resid 113 and name HA ) 2.5 0.7 3.5 ! A.846 at -1.65e+06 assign (resid 60 and name HB# ) (resid 60 and name HD# ) 2.5 0.7 3.5 ! A.1599 at -7.45e+05 assign (resid 60 and name HB# ) (resid 61 and name HA ) 2.5 0.7 3.5 ! A.1577 at 1.25e+06 assign (resid 60 and name HB# ) (resid 61 and name HN ) 2.5 0.7 3.5 ! A.1596 at -9.30e+05 !assign (resid 60 and name HG# ) (resid 64 and name HZ ) 2.5 0.7 3.5 ! A.1767 at 1.83e+06 assign (resid 60 and name HG# ) (resid 66 and name HB# ) 2.5 0.7 3.5 ! A.1667 at 5.36e+05 assign (resid 60 and name HD# ) (resid 68 and name HE# ) 2.5 0.7 3.5 ! A.1611 at -4.39e+05 assign (resid 60 and name HB# ) (resid 68 and name HZ ) 2.5 0.7 3.5 ! A.1592 at -1.12e+06 assign (resid 60 and name HD# ) (resid 95 and name HE# ) 2.5 0.7 3.5 ! A.1618 at -4.90e+05 assign (resid 60 and name HB# ) (resid 95 and name HE# ) 2.5 0.7 3.5 ! A.1598 at -4.66e+05 assign (resid 60 and name HD# ) (resid 111 and name HA ) 2.5 0.7 3.5 ! A.1602 at -5.03e+05 assign (resid 61 and name HB# ) (resid 61 and name HD2 ) 2.5 0.7 3.5 ! A.485 at 7.94e+05 assign (resid 61 and name HA ) (resid 61 and name HN ) 2.5 0.7 3.5 ! A.480 at 1.87e+06 !assign (resid 61 and name HD2 ) (resid 62 and name HN ) 2.5 0.7 3.5 ! A.307 at -4.18e+05 assign (resid 61 and name HA ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.1587 at 3.70e+05 assign (resid 62 and name HA ) (resid 62 and name HB2 ) 2.5 0.7 3.5 ! A.1619 at -2.49e+06 assign (resid 62 and name HA ) (resid 62 and name HB# ) 2.5 0.7 3.5 ! A.531 at -2.55e+06 assign (resid 62 and name HA ) (resid 109 and name HA ) 2.5 0.7 3.5 ! A.1992 at 5.50e+05 assign (resid 63 and name HB# ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.493 at -1.20e+06 assign (resid 63 and name HA ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.488 at 9.75e+05 assign (resid 63 and name HA ) (resid 64 and name HN ) 2.5 0.7 1.0 ! A.487 at 6.26e+06 assign (resid 63 and name HA ) (resid 65 and name HN ) 2.5 0.7 3.5 ! A.489 at 5.49e+05 assign (resid 63 and name HB# ) (resid 68 and name HD# ) 2.5 0.7 3.5 ! A.1588 at -4.49e+05 assign (resid 64 and name HD# ) (resid 64 and name HE# ) 2.5 0.7 3.5 ! A.1636 at -9.80e+05 assign (resid 64 and name HD# ) (resid 64 and name HB# ) 2.5 0.7 3.5 ! A.1249 at -7.73e+05 assign (resid 64 and name HB# ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.1632 at -3.37e+05 assign (resid 64 and name HE# ) (resid 83 and name HD* ) 2.5 0.7 3.0 ! A.1613 at 3.30e+06 assign (resid 64 and name HE# ) (resid 86 and name HA ) 2.5 0.7 3.5 ! A.1639 at -1.14e+06 assign (resid 64 and name HE# ) (resid 86 and name HG2# ) 2.5 0.7 4.0 ! A.1641 at -1.44e+06 assign (resid 64 and name HZ ) (resid 86 and name HD1# ) 2.5 0.7 4.0 ! A.1642 at -8.54e+05 assign (resid 64 and name HE# ) (resid 86 and name HD1# ) 2.5 0.7 4.0 ! A.1794 at 5.47e+05 assign (resid 64 and name HE# ) (resid 95 and name HB# ) 2.5 0.7 3.5 ! A.1862 at -1.86e+06 assign (resid 64 and name HE# ) (resid 96 and name HA ) 2.5 0.7 3.5 ! A.1878 at -4.74e+05 assign (resid 64 and name HE# ) (resid 97 and name HB# ) 2.5 0.7 3.5 ! A.1890 at 8.02e+05 assign (resid 65 and name HB ) (resid 65 and name HN ) 2.5 0.7 3.5 ! A.1649 at 1.52e+06 assign (resid 65 and name HG1# ) (resid 65 and name HA ) 2.5 0.7 1.3 ! A.1652 at 6.04e+06 assign (resid 65 and name HG1# ) (resid 65 and name HN ) 2.5 0.7 4.0 ! A.1651 at 2.58e+06 assign (resid 65 and name HG2# ) (resid 65 and name HA ) 2.5 0.7 1.3 ! A.1655 at 6.05e+06 assign (resid 65 and name HB ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1648 at 1.76e+06 assign (resid 65 and name HN ) (resid 66 and name HB# ) 2.5 0.7 3.5 ! A.1657 at 1.00e+06 assign (resid 65 and name HG1# ) (resid 66 and name HN ) 2.5 0.7 4.0 ! A.499 at 1.36e+06 assign (resid 65 and name HG2# ) (resid 66 and name HN ) 2.5 0.7 4.0 ! A.501 at 1.45e+06 assign (resid 65 and name HG2# ) (resid 76 and name HD2# ) 2.5 0.7 4.0 ! A.980 at 1.00e+06 assign (resid 65 and name HG2# ) (resid 78 and name HB# ) 2.5 0.7 4.0 ! A.1718 at 7.74e+05 assign (resid 65 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.1643 at 6.29e+05 assign (resid 65 and name HA ) (resid 78 and name HB# ) 2.5 0.7 3.5 ! A.1644 at 1.39e+06 assign (resid 65 and name HG2# ) (resid 78 and name HG# ) 2.5 0.7 4.0 ! A.1721 at -9.04e+05 assign (resid 65 and name HA ) (resid 86 and name HD1# ) 2.5 0.7 4.0 ! A.1646 at 1.13e+06 assign (resid 65 and name HG1# ) (resid 88 and name HE# ) 2.5 0.7 1.3 assign (resid 65 and name HN ) (resid 88 and name HE# ) 2.5 0.7 4.0 !assign (resid 65 and name HG1# ) (resid 112 and name HB ) 2.5 0.7 1.3 ! A.500 at 6.34e+06 assign (resid 66 and name HB# ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1660 at 1.00e+06 assign (resid 66 and name HN ) (resid 67 and name HA ) 2.5 0.7 3.5 ! A.977 at -4.12e+05 assign (resid 66 and name HB# ) (resid 74 and name HD2# ) 2.5 0.7 3.5 ! A.1662 at 3.50e+05 assign (resid 66 and name HB# ) (resid 76 and name HA ) 2.5 0.7 3.5 ! A.1664 at 9.67e+05 assign (resid 66 and name HA ) (resid 76 and name HA ) 2.5 0.7 3.5 ! A.1665 at 1.42e+06 assign (resid 66 and name HA ) (resid 88 and name HE# ) 2.5 0.7 4.0 assign (resid 67 and name HB# ) (resid 67 and name HN ) 2.5 0.7 4.0 ! A.1670 at 4.18e+05 assign (resid 67 and name HB# ) (resid 77 and name HD* ) 2.5 0.7 4.5 ! A.517 at 2.76e+06 assign (resid 67 and name HB# ) (resid 109 and name HD# ) 2.5 0.7 3.0 ! A.822 at -3.50e+06 assign (resid 67 and name HB# ) (resid 109 and name HE# ) 2.5 0.7 4.0 ! A.102 at -7.98e+05 assign (resid 67 and name HB# ) (resid 109 and name HB# ) 2.5 0.7 4.0 ! A.513 at 2.73e+06 assign (resid 68 and name HD# ) (resid 68 and name HA ) 2.5 0.7 3.5 ! A.1672 at -9.73e+05 assign (resid 68 and name HD# ) (resid 68 and name HB# ) 2.5 0.7 3.5 ! A.1590 at -5.34e+05 assign (resid 68 and name HD# ) (resid 69 and name HN ) 2.5 0.7 3.5 ! A.521 at -6.39e+05 assign (resid 68 and name HA ) (resid 69 and name HN ) 2.5 0.7 2.5 ! A.519 at 3.41e+06 assign (resid 68 and name HD# ) (resid 74 and name HA ) 2.5 0.7 3.5 ! A.1589 at -4.63e+05 assign (resid 68 and name HE# ) (resid 74 and name HB# ) 2.5 0.7 3.5 ! A.1586 at -4.03e+05 !assign (resid 68 and name HD# ) (resid 111 and name HA ) 2.5 0.7 3.5 ! A.2014 at 1.36e+06 !assign (resid 68 and name HE# ) (resid 111 and name HA ) 2.5 0.7 3.5 ! A.2015 at 4.62e+05 !assign (resid 68 and name HD# ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.522 at -8.44e+05 !assign (resid 68 and name HE# ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.525 at -5.60e+05 !assign (resid 68 and name HE# ) (resid 112 and name HB ) 2.5 0.7 3.5 ! A.2022 at -6.33e+05 assign (resid 69 and name HB# ) (resid 69 and name HD2# ) 2.5 0.7 3.5 ! A.1675 at -1.79e+06 assign (resid 69 and name HA ) (resid 70 and name HN ) 2.5 0.7 2.5 ! A.1674 at -4.60e+06 assign (resid 69 and name HD2# ) (resid 73 and name HB# ) 2.5 0.7 3.5 ! A.1236 at -1.32e+06 assign (resid 69 and name HN ) (resid 74 and name HA ) 2.5 0.7 3.5 ! A.1693 at 8.58e+05 !assign (resid 69 and name HA ) (resid 109 and name HA ) 2.5 0.7 3.5 ! A.529 at -8.75e+05 assign (resid 70 and name HD* ) (resid 70 and name HN ) 2.5 0.7 4.0 ! A.777 at 8.69e+05 assign (resid 70 and name HD* ) (resid 70 and name HA ) 2.5 0.7 3.0 ! A.1484 at 4.24e+06 assign (resid 70 and name HB# ) (resid 70 and name HN ) 2.5 0.7 2.5 ! A.538 at -4.16e+06 assign (resid 70 and name HB# ) (resid 70 and name HA ) 2.5 0.7 2.5 ! A.1678 at -4.33e+06 assign (resid 70 and name HA ) (resid 70 and name HN ) 2.5 0.7 2.5 ! A.1353 at 3.01e+06 assign (resid 70 and name HB# ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.539 at -8.14e+05 !assign (resid 70 and name HD* ) (resid 106 and name HB# ) 2.5 0.7 4.0 ! A.1485 at 5.69e+05 assign (resid 70 and name HD* ) (resid 108 and name HB# ) 2.5 0.7 1.5 ! A.1235 at -1.58e+06 assign (resid 70 and name HD* ) (resid 108 and name Hg# ) 2.5 0.7 1.5 assign (resid 70 and name HD* ) (resid 110 and name HD# ) 2.5 0.7 4.0 ! A.1001 at -1.86e+06 assign (resid 70 and name HD* ) (resid 110 and name HE# ) 2.5 0.7 4.0 ! A.958 at 7.92e+05 assign (resid 70 and name HD* ) (resid 110 and name HZ ) 2.5 0.7 1.5 ! A.957 at 1.90e+06 assign (resid 70 and name HB# ) (resid 110 and name HE# ) 2.5 0.7 3.5 ! A.1677 at -3.39e+05 assign (resid 71 and name HB# ) (resid 73 and name HG# ) 2.5 0.7 3.5 ! A.1690 at 4.38e+05 assign (resid 72 and name HA# ) (resid 72 and name HN ) 2.5 0.7 3.5 ! A.1683 at -2.56e+06 assign (resid 72 and name HA# ) (resid 110 and name HZ ) 2.5 0.7 3.5 ! A.2011 at -5.27e+05 assign (resid 72 and name HA# ) (resid 110 and name HE# ) 2.5 0.7 3.5 ! A.549 at -4.94e+05 assign (resid 73 and name HA ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.1685 at 7.32e+05 assign (resid 73 and name HB# ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.1226 at -1.77e+06 assign (resid 73 and name HG# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.1688 at 4.60e+05 assign (resid 74 and name HB# ) (resid 74 and name HD2# ) 2.5 0.7 3.5 ! A.1696 at -4.98e+05 assign (resid 74 and name HB# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.1699 at -2.60e+06 assign (resid 74 and name HB# ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.1700 at -4.40e+05 assign (resid 75 and name HG# ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.1625 at -3.91e+05 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.1401 at -6.33e+05 assign (resid 76 and name HB# ) (resid 76 and name HN ) 2.5 0.7 2.5 ! A.1701 at -4.62e+06 assign (resid 76 and name HB# ) (resid 76 and name HD2# ) 2.5 0.7 2.5 ! A.1702 at -3.66e+06 assign (resid 77 and name HD* ) (resid 77 and name HA ) 2.5 0.7 4.0 ! A.1711 at 2.09e+06 assign (resid 77 and name HB# ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.1708 at -1.20e+06 assign (resid 77 and name HA ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.1703 at 1.46e+06 assign (resid 77 and name HG ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.1710 at 3.50e+05 assign (resid 77 and name HB# ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.1706 at -6.80e+05 assign (resid 77 and name HD* ) (resid 80 and name HG# ) 2.5 0.7 4.0 ! A.1733 at 7.19e+05 assign (resid 77 and name HA ) (resid 80 and name HG# ) 2.5 0.7 3.5 ! A.1705 at 2.20e+06 assign (resid 77 and name HA ) (resid 80 and name HB# ) 2.5 0.7 2.5 ! A.1728 at -1.51e+06 assign (resid 77 and name HD* ) (resid 80 and name HB# ) 2.5 0.7 4.0 ! A.1729 at -8.88e+05 assign (resid 77 and name HD* ) (resid 81 and name HN ) 2.5 0.7 4.0 ! A.556 at 3.04e+05 assign (resid 77 and name HA ) (resid 81 and name HN ) 2.5 0.7 3.5 ! A.2047 at 6.21e+05 assign (resid 77 and name HD* ) (resid 83 and name HD* ) 2.5 0.7 3.5 ! A.606 at 3.61e+06 assign (resid 77 and name HD* ) (resid 107 and name HB# ) 2.5 0.7 4.0 ! A.1978 at 4.25e+05 assign (resid 77 and name HD* ) (resid 109 and name HD# ) 2.5 0.7 4.0 ! A.821 at -1.75e+06 assign (resid 77 and name HD* ) (resid 109 and name HE# ) 2.5 0.7 4.0 ! A.99 at -2.15e+06 assign (resid 77 and name HD* ) (resid 109 and name HZ ) 2.5 0.7 4.0 ! A.796 at -1.06e+06 assign (resid 78 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.1713 at 2.39e+06 assign (resid 78 and name HA ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.559 at 7.62e+05 !assign (resid 78 and name HA ) (resid 82 and name HG# ) 2.5 0.7 3.5 ! A.563 at 6.02e+05 !assign (resid 78 and name HA ) (resid 82 and name HD# ) 2.5 0.7 3.5 ! A.562 at 7.08e+05 assign (resid 78 and name HB# ) (resid 83 and name HD* ) 2.5 0.7 4.0 ! A.1717 at 4.26e+05 assign (resid 78 and name HA ) (resid 83 and name HD* ) 2.5 0.7 4.0 ! A.1768 at 2.70e+06 assign (resid 78 and name HA ) (resid 83 and name HB# ) 2.5 0.7 3.5 ! A.1754 at -6.04e+05 assign (resid 78 and name HA ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.560 at 5.59e+05 assign (resid 78 and name HG# ) (resid 83 and name HD* ) 2.5 0.7 4.0 ! A.1722 at -6.36e+05 assign (resid 79 and name HA ) (resid 79 and name HN ) 2.5 0.7 3.5 ! A.1724 at 1.87e+06 assign (resid 79 and name HB# ) (resid 80 and name HB# ) 2.5 0.7 3.5 ! A.1730 at -4.08e+05 assign (resid 80 and name HB# ) (resid 80 and name HN ) 2.5 0.7 2.5 ! A.1727 at -3.35e+06 assign (resid 80 and name HB# ) (resid 81 and name HN ) 2.5 0.7 3.5 ! A.1726 at -2.35e+06 assign (resid 80 and name HB# ) (resid 81 and name HA ) 2.5 0.7 3.5 ! A.1739 at 8.92e+05 assign (resid 80 and name HG# ) (resid 107 and name HD1 ) 2.5 0.7 3.5 ! A.1731 at 5.22e+05 assign (resid 80 and name HG# ) (resid 107 and name HH2 ) 2.5 0.7 3.5 ! A.812 at -5.86e+05 !assign (resid 80 and name HB# ) (resid 109 and name HD# ) 2.5 0.7 3.5 ! A.932 at -4.40e+05 assign (resid 81 and name HA ) (resid 81 and name HB# ) 2.5 0.7 3.5 ! A.1775 at 2.82e+06 assign (resid 81 and name HA ) (resid 81 and name HD* ) 2.5 0.7 3.0 ! A.1774 at 4.86e+06 assign (resid 81 and name HA ) (resid 82 and name HN ) 2.5 0.7 1.0 ! A.565 at 6.00e+06 assign (resid 81 and name HD* ) (resid 83 and name HG ) 2.5 0.7 4.0 ! A.572 at 6.26e+05 assign (resid 81 and name HD* ) (resid 83 and name HD* ) 2.5 0.7 3.5 ! A.597 at 5.23e+06 assign (resid 81 and name HB# ) (resid 83 and name HD* ) 2.5 0.7 4.0 ! A.1915 at 2.18e+06 assign (resid 81 and name HD* ) (resid 99 and name HD* ) 2.5 0.7 4.5 ! A.1911 at 2.07e+06 assign (resid 81 and name HD* ) (resid 100 and name HD# ) 2.5 0.7 4.0 ! A.1922 at -3.84e+05 assign (resid 81 and name HD* ) (resid 100 and name HG# ) 2.5 0.7 4.0 ! A.570 at 5.35e+05 assign (resid 81 and name HD* ) (resid 103 and name HG2# ) 2.5 0.7 3.5 ! A.574 at 5.46e+06 assign (resid 81 and name HD* ) (resid 103 and name HD1# ) 2.5 0.7 4.5 ! A.790 at 8.10e+05 assign (resid 81 and name HA ) (resid 103 and name HG2# ) 2.5 0.7 4.0 ! A.1740 at 1.67e+06 assign (resid 81 and name HD* ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.805 at 9.48e+05 assign (resid 81 and name HD* ) (resid 107 and name HD1 ) 2.5 0.7 4.0 ! A.553 at 2.61e+06 assign (resid 81 and name HD* ) (resid 107 and name HH2 ) 2.5 0.7 4.0 ! A.554 at 1.63e+06 assign (resid 81 and name HD* ) (resid 107 and name HE1 ) 2.5 0.7 4.0 ! A.551 at 5.97e+05 assign (resid 81 and name HB# ) (resid 107 and name HH2 ) 2.5 0.7 3.5 ! A.1986 at -6.56e+05 assign (resid 81 and name HD* ) (resid 107 and name HE3 ) 2.5 0.7 4.0 ! A.802 at -3.41e+05 assign (resid 81 and name HD* ) (resid 127 and name HB# ) 2.5 0.7 4.5 ! A.2157 at 9.08e+05 assign (resid 82 and name HB# ) (resid 82 and name HN ) 2.5 0.7 2.5 ! A.1745 at 3.07e+06 assign (resid 82 and name HD# ) (resid 82 and name HN ) 2.5 0.7 3.5 ! A.1748 at 2.34e+06 assign (resid 82 and name HA ) (resid 82 and name HN ) 2.5 0.7 1.0 ! A.1043 at 5.68e+06 assign (resid 82 and name HA ) (resid 82 and name HB# ) 2.5 0.7 0.8 ! A.1742 at 7.01e+06 assign (resid 82 and name HB# ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.1744 at 5.18e+05 assign (resid 82 and name HB# ) (resid 100 and name HB# ) 2.5 0.7 3.5 ! A.1747 at 8.39e+05 assign (resid 83 and name HG ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.1028 at 2.23e+06 assign (resid 83 and name HD* ) (resid 83 and name HN ) 2.5 0.7 4.0 ! A.971 at 8.18e+05 assign (resid 83 and name HD* ) (resid 83 and name HA ) 2.5 0.7 1.3 ! A.1762 at 6.71e+06 assign (resid 83 and name HD* ) (resid 83 and name HB# ) 2.5 0.7 3.0 ! A.1914 at 4.23e+06 assign (resid 83 and name HB# ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.1752 at -1.10e+06 assign (resid 83 and name HA ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.1749 at 1.13e+06 assign (resid 83 and name HD* ) (resid 97 and name HB# ) 2.5 0.7 4.0 ! A.1769 at 1.05e+06 assign (resid 83 and name HB# ) (resid 97 and name HB# ) 2.5 0.7 3.5 ! A.747 at 7.73e+05 assign (resid 83 and name HD* ) (resid 98 and name HN ) 2.5 0.7 4.0 ! A.587 at 3.68e+05 assign (resid 83 and name HD* ) (resid 99 and name HA ) 2.5 0.7 4.0 ! A.602 at 9.43e+05 assign (resid 83 and name HD* ) (resid 99 and name HG ) 2.5 0.7 4.0 ! A.596 at 1.95e+06 assign (resid 83 and name HD* ) (resid 100 and name HD# ) 2.5 0.7 3.0 ! A.593 at 3.41e+06 assign (resid 83 and name HA ) (resid 100 and name HD# ) 2.5 0.7 3.5 ! A.583 at 7.59e+05 assign (resid 84 and name HA ) (resid 86 and name HG1# ) 2.5 0.7 3.5 ! A.1789 at 4.54e+05 assign (resid 84 and name HN ) (resid 86 and name HD1# ) 2.5 0.7 4.0 ! A.1795 at 4.97e+05 assign (resid 84 and name HG2# ) (resid 98 and name HN ) 2.5 0.7 4.0 ! A.1772 at 5.16e+05 assign (resid 84 and name HG2# ) (resid 100 and name HB# ) 2.5 0.7 4.0 ! A.610 at 8.59e+05 assign (resid 85 and name HA ) (resid 85 and name HD2# ) 2.5 0.7 3.5 ! A.1735 at 5.29e+05 assign (resid 85 and name HA ) (resid 85 and name HN ) 2.5 0.7 2.5 ! A.566 at 5.02e+06 assign (resid 85 and name HA ) (resid 85 and name HB# ) 2.5 0.7 3.5 ! A.1738 at 1.97e+06 assign (resid 85 and name HB# ) (resid 86 and name HG1# ) 2.5 0.7 3.5 ! A.1793 at 4.76e+05 assign (resid 85 and name HD2# ) (resid 87 and name HD1# ) 2.5 0.7 4.0 ! A.1810 at 3.91e+05 assign (resid 85 and name HB# ) (resid 98 and name HB# ) 2.5 0.7 3.5 ! A.1779 at -1.53e+06 assign (resid 86 and name HG1# ) (resid 86 and name HA ) 2.5 0.7 3.5 ! A.1788 at 1.29e+06 assign (resid 86 and name HG1# ) (resid 86 and name HN ) 2.5 0.7 3.5 ! A.1786 at 2.91e+06 assign (resid 86 and name HA ) (resid 86 and name HN ) 2.5 0.7 3.5 ! A.142 at 2.05e+06 assign (resid 86 and name HB ) (resid 86 and name HN ) 2.5 0.7 2.5 ! A.615 at -4.58e+06 assign (resid 86 and name HD1# ) (resid 86 and name HN ) 2.5 0.7 4.0 ! A.616 at 1.98e+06 assign (resid 86 and name HG1# ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.1785 at 5.15e+05 assign (resid 86 and name HA ) (resid 87 and name HB ) 2.5 0.7 3.5 ! A.1784 at 5.07e+05 assign (resid 86 and name HB ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.614 at -3.78e+05 assign (resid 86 and name HG2# ) (resid 88 and name HG# ) 2.5 0.7 4.0 ! A.1816 at 2.75e+06 assign (resid 86 and name HG1# ) (resid 88 and name HE# ) 2.5 0.7 4.0 ! A.642 at 9.63e+05 !assign (resid 86 and name HG2# ) (resid 88 and name HE# ) 2.5 0.7 1.2 ! A.937 at 1.40e+07 assign (resid 86 and name HD1# ) (resid 88 and name HE# ) 2.5 0.7 4.5 ! A.641 at 1.03e+06 assign (resid 86 and name HG2# ) (resid 96 and name HB# ) 2.5 0.7 4.0 ! A.723 at -5.95e+05 assign (resid 86 and name HG1# ) (resid 97 and name HA ) 2.5 0.7 3.5 ! A.1791 at 5.25e+05 assign (resid 86 and name HG1# ) (resid 97 and name HB# ) 2.5 0.7 3.5 ! A.1792 at 8.20e+05 assign (resid 86 and name HD1# ) (resid 97 and name HB# ) 2.5 0.7 4.0 ! A.751 at 1.39e+06 assign (resid 86 and name HA ) (resid 97 and name HB# ) 2.5 0.7 3.5 ! A.746 at 1.08e+06 assign (resid 86 and name HG2# ) (resid 97 and name HB# ) 2.5 0.7 4.0 ! A.749 at 6.05e+05 assign (resid 86 and name HA ) (resid 98 and name HN ) 2.5 0.7 3.5 ! A.612 at 4.80e+05 assign (resid 87 and name HG1# ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.1801 at 7.04e+05 assign (resid 87 and name HB ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.1800 at -2.96e+06 assign (resid 87 and name HA ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.1799 at 1.28e+06 assign (resid 87 and name HD1# ) (resid 87 and name HN ) 2.5 0.7 4.0 ! A.632 at 7.48e+05 assign (resid 87 and name HA ) (resid 88 and name HE# ) 2.5 0.7 4.0 ! A.1823 at 6.97e+05 assign (resid 87 and name HG2# ) (resid 88 and name HG# ) 2.5 0.7 4.0 ! A.631 at 2.17e+06 assign (resid 87 and name HG2# ) (resid 89 and name HB# ) 2.5 0.7 4.0 ! A.655 at -1.06e+06 assign (resid 87 and name HG2# ) (resid 96 and name HD# ) 2.5 0.7 3.0 ! A.952 at -5.27e+06 assign (resid 87 and name HB ) (resid 96 and name HD# ) 2.5 0.7 2.5 ! A.949 at -3.94e+06 assign (resid 87 and name HG1# ) (resid 96 and name HD# ) 2.5 0.7 3.5 ! A.1806 at 4.50e+05 assign (resid 87 and name HG1# ) (resid 96 and name HB# ) 2.5 0.7 3.5 ! A.1807 at 6.52e+05 assign (resid 87 and name HD1# ) (resid 96 and name HB# ) 2.5 0.7 4.0 ! A.724 at -6.12e+05 assign (resid 87 and name HB ) (resid 96 and name HB# ) 2.5 0.7 3.5 ! A.718 at -2.56e+06 assign (resid 87 and name HG2# ) (resid 96 and name HB# ) 2.5 0.7 4.0 ! A.721 at -1.64e+06 assign (resid 87 and name HB ) (resid 96 and name HE# ) 2.5 0.7 3.5 ! A.621 at -4.47e+05 assign (resid 87 and name HG2# ) (resid 96 and name HE# ) 2.5 0.7 4.0 ! A.627 at 1.10e+06 assign (resid 87 and name HD1# ) (resid 96 and name HE# ) 2.5 0.7 4.0 ! A.1809 at 6.03e+05 assign (resid 87 and name HD1# ) (resid 96 and name HD# ) 2.5 0.7 4.0 ! A.1808 at 2.13e+06 assign (resid 87 and name HN ) (resid 97 and name HA ) 2.5 0.7 3.5 ! A.741 at 7.28e+05 assign (resid 88 and name HG# ) (resid 88 and name HN ) 2.5 0.7 3.5 ! A.1813 at 5.91e+05 assign (resid 88 and name HG# ) (resid 88 and name HA ) 2.5 0.7 3.5 ! A.1815 at 5.28e+05 assign (resid 88 and name HE# ) (resid 88 and name HA ) 2.5 0.7 4.0 ! A.1822 at 6.91e+05 assign (resid 88 and name HE# ) (resid 88 and name HN ) 2.5 0.7 4.0 ! A.1817 at 9.78e+05 assign (resid 88 and name HB# ) (resid 88 and name HN ) 2.5 0.7 3.5 ! A.1811 at -5.02e+05 assign (resid 88 and name HA ) ((resid 95 or resid 64) and name HD# ) 2.5 0.7 3.5 ! A.644 at -5.50e+05 assign (resid 88 and name HA ) ((resid 95 or resid 64) and name HA ) 2.5 0.7 3.5 ! A.645 at -4.00e+05 assign (resid 88 and name HG# ) ((resid 95 or resid 64) and name HE# ) 2.5 0.7 3.5 ! A.652 at 8.18e+05 assign (resid 88 and name HG# ) ((resid 95 or resid 64) and name HD# ) 2.5 0.7 3.5 ! A.651 at 5.43e+05 assign (resid 88 and name HB# ) ((resid 95 or resid 64) and name HE# ) 2.5 0.7 3.5 ! A.701 at -5.40e+05 assign (resid 88 and name HE# ) ((resid 95 or resid 64) and name HE# ) 2.5 0.7 4.0 ! A.636 at 6.78e+05 assign (resid 88 and name HE# ) ((resid 95 or resid 64) and name HD# ) 2.5 0.7 4.0 ! A.1819 at 7.44e+05 assign (resid 89 and name HB# ) (resid 89 and name HN ) 2.5 0.7 3.5 ! A.653 at -1.96e+06 assign (resid 89 and name HB# ) (resid 89 and name HA ) 2.5 0.7 3.5 ! A.1825 at -1.00e+06 assign (resid 89 and name HB# ) (resid 94 and name HB ) 2.5 0.7 3.5 ! A.678 at 2.05e+06 assign (resid 89 and name HB# ) (resid 94 and name HG2# ) 2.5 0.7 4.0 ! A.654 at -6.05e+05 assign (resid 89 and name HN ) (resid 95 and name HD# ) 2.5 0.7 3.5 ! A.1254 at -4.43e+05 assign (resid 90 and name HB# ) (resid 90 and name HA ) 2.5 0.7 3.5 ! A.1829 at 2.19e+06 assign (resid 90 and name HB# ) (resid 90 and name HD2 ) 2.5 0.7 3.5 ! A.661 at 1.12e+06 assign (resid 90 and name HA ) (resid 90 and name HN ) 2.5 0.7 3.5 ! A.658 at 1.55e+06 assign (resid 90 and name HD2 ) (resid 90 and name HE1 ) 2.5 0.7 3.5 ! A.665 at -3.19e+05 assign (resid 90 and name HD2 ) (resid 90 and name HN ) 2.5 0.7 3.5 ! A.664 at -5.27e+05 assign (resid 90 and name HA ) (resid 95 and name HE# ) 2.5 0.7 3.5 ! A.660 at 4.18e+05 assign (resid 90 and name HA ) (resid 95 and name HZ ) 2.5 0.7 3.5 ! A.659 at 4.73e+05 assign (resid 90 and name HD2 ) (resid 95 and name HZ ) 2.5 0.7 3.5 ! A.1832 at -1.11e+06 assign (resid 91 and name HD# ) (resid 91 and name HA ) 2.5 0.7 3.5 ! A.1835 at -1.82e+06 assign (resid 91 and name HD# ) (resid 91 and name HN ) 2.5 0.7 3.5 ! A.671 at -7.02e+05 assign (resid 91 and name HB# ) (resid 91 and name HN ) 2.5 0.7 3.5 ! A.1833 at -2.75e+06 assign (resid 91 and name HB# ) (resid 91 and name HD# ) 2.5 0.7 3.5 ! A.670 at -2.52e+06 assign (resid 91 and name HD# ) (resid 92 and name HD2# ) 2.5 0.7 3.5 ! A.1834 at -4.13e+05 assign (resid 91 and name HA ) (resid 92 and name HN ) 2.5 0.7 3.5 ! A.668 at 8.34e+05 assign (resid 91 and name HB# ) (resid 92 and name HN ) 2.5 0.7 3.5 ! A.669 at -1.58e+06 assign (resid 92 and name HA ) (resid 92 and name HN ) 2.5 0.7 3.5 ! A.1836 at -8.10e+05 assign (resid 92 and name HB# ) (resid 92 and name HD2# ) 2.5 0.7 3.5 ! A.674 at -1.50e+06 assign (resid 92 and name HB# ) (resid 94 and name HB ) 2.5 0.7 3.5 ! A.680 at 6.61e+05 assign (resid 93 and name HB# ) (resid 93 and name HN ) 2.5 0.7 3.5 ! A.1839 at -6.30e+05 assign (resid 93 and name HA ) (resid 95 and name HE# ) 2.5 0.7 3.5 ! A.1874 at -5.67e+05 assign (resid 94 and name HB ) (resid 94 and name HN ) 2.5 0.7 3.5 ! A.1848 at 1.96e+06 assign (resid 94 and name HG2# ) (resid 94 and name HA ) 2.5 0.7 4.0 ! A.1853 at 2.98e+06 assign (resid 94 and name HA ) (resid 94 and name HB ) 2.5 0.7 3.5 ! A.1827 at 4.75e+05 assign (resid 94 and name HA ) (resid 94 and name HN ) 2.5 0.7 3.5 ! A.1846 at 4.50e+05 assign (resid 94 and name HB ) (resid 95 and name HN ) 2.5 0.7 3.5 ! A.677 at 5.20e+05 assign (resid 94 and name HA ) (resid 95 and name HD# ) 2.5 0.7 3.5 ! A.689 at -5.43e+05 assign (resid 94 and name HG2# ) (resid 95 and name HD# ) 2.5 0.7 4.0 ! A.691 at -5.78e+05 assign (resid 94 and name HG2# ) (resid 95 and name HN ) 2.5 0.7 4.0 ! A.681 at 2.87e+06 assign (resid 94 and name HA ) (resid 95 and name HN ) 2.5 0.7 2.5 ! A.675 at 3.64e+06 assign (resid 94 and name HB ) (resid 96 and name HE# ) 2.5 0.7 3.5 ! A.676 at 7.85e+05 assign (resid 94 and name HG2# ) (resid 96 and name HD# ) 2.5 0.7 3.0 ! A.951 at -3.84e+06 assign (resid 94 and name HG2# ) (resid 96 and name HE# ) 2.5 0.7 3.0 ! A.687 at 4.40e+06 assign (resid 95 and name HD# ) (resid 95 and name HA ) 2.5 0.7 3.5 ! A.1871 at -7.51e+05 assign (resid 95 and name HD# ) (resid 95 and name HZ ) 2.5 0.7 3.5 ! A.1637 at -1.35e+06 assign (resid 95 and name HD# ) (resid 95 and name HE# ) 2.5 0.7 0.8 ! A.1253 at -6.91e+06 assign (resid 95 and name HD# ) (resid 95 and name HB# ) 2.5 0.7 3.5 ! A.1250 at -2.72e+06 assign (resid 95 and name HB# ) (resid 95 and name HN ) 2.5 0.7 3.5 ! A.1861 at -8.02e+05 assign (resid 95 and name HB# ) (resid 95 and name HA ) 2.5 0.7 3.5 ! A.1868 at -1.47e+06 assign (resid 95 and name HB# ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.1858 at -6.88e+05 assign (resid 95 and name HA ) (resid 96 and name HN ) 2.5 0.7 1.0 ! A.695 at 6.29e+06 assign (resid 96 and name HD# ) (resid 96 and name HB# ) 2.5 0.7 2.5 ! A.947 at -3.47e+06 assign (resid 96 and name HD# ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.945 at -1.37e+06 assign (resid 96 and name HD# ) (resid 96 and name HE# ) 2.5 0.7 0.2 ! A.1126 at -1.46e+07 assign (resid 96 and name HD# ) (resid 96 and name HA ) 2.5 0.7 3.5 ! A.1127 at -1.36e+06 assign (resid 96 and name HB# ) (resid 96 and name HA ) 2.5 0.7 3.5 ! A.1884 at -1.44e+06 assign (resid 96 and name HB# ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.1882 at -1.55e+06 assign (resid 96 and name HA ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.1875 at 1.03e+06 assign (resid 96 and name HE# ) (resid 96 and name HN ) 2.5 0.7 3.5 ! A.737 at -3.66e+05 assign (resid 96 and name HD# ) (resid 97 and name HN ) 2.5 0.7 3.5 ! A.946 at -5.14e+05 assign (resid 98 and name HG# ) (resid 98 and name HA ) 2.5 0.7 3.5 ! A.1495 at 1.48e+06 assign (resid 98 and name HD# ) (resid 98 and name HA ) 2.5 0.7 3.5 ! A.1897 at -3.91e+05 assign (resid 98 and name HB# ) (resid 98 and name HA ) 2.5 0.7 3.5 ! A.1895 at -1.29e+06 assign (resid 98 and name HA ) (resid 99 and name HB# ) 2.5 0.7 3.5 ! A.1901 at -3.61e+05 assign (resid 99 and name HG ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.1904 at 2.06e+06 assign (resid 99 and name HD* ) (resid 99 and name HA ) 2.5 0.7 1.3 ! A.1761 at 6.46e+06 assign (resid 99 and name HD* ) (resid 99 and name HN ) 2.5 0.7 4.0 ! A.1908 at 1.97e+06 assign (resid 99 and name HB# ) (resid 99 and name HN ) 2.5 0.7 3.5 ! A.1902 at -1.59e+06 assign (resid 99 and name HB# ) (resid 99 and name HG ) 2.5 0.7 2.5 ! A.2159 at -3.20e+06 assign (resid 99 and name HA ) (resid 100 and name HD# ) 2.5 0.7 2.5 ! A.1928 at -3.89e+06 assign (resid 99 and name HD* ) (resid 100 and name HD# ) 2.5 0.7 4.0 ! A.1927 at -1.82e+06 assign (resid 99 and name HB# ) (resid 100 and name HD# ) 2.5 0.7 3.5 ! A.757 at -9.74e+05 assign (resid 99 and name HG ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.1952 at 2.14e+06 assign (resid 99 and name HB# ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.1951 at 1.68e+06 assign (resid 99 and name HD* ) (resid 107 and name HD1 ) 2.5 0.7 4.0 ! A.765 at 1.04e+06 assign (resid 99 and name HD* ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.764 at 8.66e+05 assign (resid 99 and name HD* ) (resid 107 and name HH2 ) 2.5 0.7 4.0 ! A.766 at 1.66e+06 assign (resid 100 and name HD# ) (resid 103 and name HD1# ) 2.5 0.7 4.0 ! A.789 at 1.16e+06 assign (resid 101 and name HA ) (resid 101 and name HN ) 2.5 0.7 2.5 ! A.770 at 3.01e+06 assign (resid 102 and name HD* ) (resid 102 and name HA ) 2.5 0.7 3.0 ! A.1939 at 3.07e+06 assign (resid 102 and name HB# ) (resid 102 and name HN ) 2.5 0.7 3.5 ! A.1938 at -2.33e+06 assign (resid 102 and name HA ) (resid 102 and name HN ) 2.5 0.7 3.5 ! A.1936 at 1.89e+06 assign (resid 102 and name HD* ) (resid 104 and name HB# ) 2.5 0.7 4.0 ! A.1942 at 4.00e+05 assign (resid 103 and name HG1# ) (resid 103 and name HN ) 2.5 0.7 3.5 ! A.1803 at 1.61e+06 assign (resid 103 and name HB ) (resid 103 and name HN ) 2.5 0.7 3.5 ! A.1945 at -2.22e+06 assign (resid 103 and name HA ) (resid 103 and name HN ) 2.5 0.7 3.5 ! A.1943 at 1.56e+06 assign (resid 103 and name HD1# ) (resid 103 and name HN ) 2.5 0.7 4.0 ! A.1950 at 7.74e+05 assign (resid 103 and name HG1# ) (resid 104 and name HN ) 2.5 0.7 3.5 ! A.1805 at 6.61e+05 assign (resid 103 and name HA ) (resid 104 and name HN ) 2.5 0.7 2.5 ! A.779 at 4.08e+06 assign (resid 103 and name HD1# ) (resid 104 and name HN ) 2.5 0.7 4.0 ! A.783 at 1.65e+06 assign (resid 103 and name HD1# ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.806 at 1.94e+06 assign (resid 103 and name HG2# ) (resid 107 and name HZ2 ) 2.5 0.7 4.0 ! A.807 at 1.42e+06 assign (resid 103 and name HB ) (resid 107 and name HZ2 ) 2.5 0.7 3.5 ! A.809 at 3.48e+05 assign (resid 103 and name HG2# ) (resid 107 and name HD1 ) 2.5 0.7 4.0 ! A.1037 at -1.54e+06 assign (resid 103 and name HB ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.1944 at -5.62e+05 assign (resid 103 and name HG2# ) (resid 107 and name HE1 ) 2.5 0.7 4.0 ! A.211 at 1.09e+06 assign (resid 103 and name HG2# ) (resid 107 and name HZ3 ) 2.5 0.7 4.0 ! A.804 at -5.61e+05 assign (resid 103 and name HD1# ) (resid 107 and name HE1 ) 2.5 0.7 4.0 ! A.782 at 5.33e+05 assign (resid 103 and name HG2# ) (resid 127 and name HA ) 2.5 0.7 4.0 ! A.928 at -9.29e+05 assign (resid 103 and name HD1# ) (resid 127 and name HA ) 2.5 0.7 4.0 ! A.786 at 8.33e+05 assign (resid 104 and name HA ) (resid 105 and name HN ) 2.5 0.7 2.5 ! A.1953 at 3.58e+06 assign (resid 105 and name HB# ) (resid 105 and name HN ) 2.5 0.7 3.5 ! A.1957 at -2.34e+06 assign (resid 105 and name HB# ) (resid 106 and name HN ) 2.5 0.7 2.5 ! A.1956 at -3.28e+06 assign (resid 105 and name HB# ) (resid 107 and name HD1 ) 2.5 0.7 3.5 ! A.1983 at -6.17e+05 assign (resid 105 and name HB# ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.1205 at -6.50e+05 assign (resid 105 and name HA ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.1443 at 1.02e+06 assign (resid 106 and name HB# ) (resid 106 and name HN ) 2.5 0.7 3.5 ! A.1959 at -1.83e+06 assign (resid 106 and name HB# ) (resid 106 and name HD2# ) 2.5 0.7 3.5 ! A.1960 at -7.66e+05 assign (resid 106 and name HN ) (resid 107 and name HD1 ) 2.5 0.7 3.5 ! A.792 at -3.83e+05 assign (resid 107 and name HB# ) (resid 107 and name HE3 ) 2.5 0.7 3.5 ! A.1966 at 9.14e+05 assign (resid 107 and name HB# ) (resid 107 and name HD1 ) 2.5 0.7 3.5 ! A.1972 at 1.36e+06 assign (resid 107 and name HB# ) (resid 107 and name HN ) 2.5 0.7 3.5 ! A.1975 at 1.09e+06 assign (resid 107 and name HZ2 ) (resid 107 and name HE1 ) 2.5 0.7 3.5 ! A.649 at 2.30e+06 assign (resid 107 and name HD1 ) (resid 107 and name HN ) 2.5 0.7 3.5 ! A.793 at -1.02e+06 assign (resid 107 and name HD1 ) (resid 107 and name HA ) 2.5 0.7 3.5 ! A.1982 at -6.21e+05 assign (resid 107 and name HA ) (resid 107 and name HN ) 2.5 0.7 3.5 ! A.1963 at 1.78e+06 assign (resid 107 and name HA ) (resid 107 and name HE3 ) 2.5 0.7 3.5 ! A.1961 at 6.79e+05 assign (resid 107 and name HB# ) (resid 108 and name HN ) 2.5 0.7 3.5 ! A.1965 at 1.41e+06 assign (resid 107 and name HD1 ) (resid 108 and name HN ) 2.5 0.7 3.5 ! A.794 at -5.05e+05 assign (resid 107 and name HE3 ) (resid 108 and name HN ) 2.5 0.7 3.5 ! A.797 at -4.75e+05 assign (resid 107 and name HE3 ) (resid 108 and name HA ) 2.5 0.7 3.5 ! A.799 at -7.58e+05 assign (resid 107 and name HA ) (resid 108 and name HN ) 2.5 0.7 1.0 ! A.1962 at 6.77e+06 assign (resid 107 and name HZ3 ) (resid 108 and name HA ) 2.5 0.7 3.5 ! A.817 at 4.98e+05 assign (resid 107 and name HB# ) (resid 109 and name HD# ) 2.5 0.7 3.5 ! A.1971 at 3.91e+05 assign (resid 107 and name HE3 ) (resid 109 and name HD# ) 2.5 0.7 3.5 ! A.1995 at -1.08e+06 assign (resid 107 and name HZ2 ) (resid 109 and name HE# ) 2.5 0.7 3.5 ! A.1124 at -2.76e+06 assign (resid 107 and name HE3 ) (resid 109 and name HE# ) 2.5 0.7 3.5 ! A.1997 at -5.26e+05 assign (resid 107 and name HE3 ) (resid 109 and name HN ) 2.5 0.7 3.5 ! A.798 at -3.81e+05 assign (resid 107 and name HH2 ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.1985 at -1.27e+06 assign (resid 107 and name HZ3 ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.803 at -1.03e+06 assign (resid 107 and name HE3 ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.801 at -4.14e+05 assign (resid 107 and name HE3 ) (resid 126 and name HA ) 2.5 0.7 3.5 ! A.800 at -4.40e+05 assign (resid 107 and name HB# ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.1977 at 7.12e+05 assign (resid 107 and name HD1 ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.1038 at -1.36e+06 assign (resid 107 and name HH2 ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.2156 at 4.93e+05 assign (resid 107 and name HZ2 ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.959 at 5.75e+05 assign (resid 107 and name HE1 ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.929 at 8.91e+05 assign (resid 107 and name HN ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.931 at 1.59e+06 assign (resid 108 and name HB# ) (resid 108 and name HN ) 2.5 0.7 3.5 ! A.1990 at -1.30e+06 assign (resid 108 and name HA ) (resid 108 and name HN ) 2.5 0.7 3.5 ! A.1987 at 1.30e+06 assign (resid 108 and name HB# ) (resid 109 and name HN ) 2.5 0.7 3.5 ! A.1229 at -7.57e+05 assign (resid 108 and name HA ) (resid 125 and name HN ) 2.5 0.7 3.5 ! A.1988 at 5.38e+05 assign (resid 108 and name HB# ) (resid 126 and name HA ) 2.5 0.7 3.5 ! A.1231 at -5.33e+05 assign (resid 108 and name HA ) (resid 126 and name HA ) 2.5 0.7 2.5 ! A.925 at 3.40e+06 assign (resid 109 and name HD# ) (resid 109 and name HN ) 2.5 0.7 3.5 ! A.1994 at -9.16e+05 assign (resid 109 and name HD# ) (resid 109 and name HA ) 2.5 0.7 3.5 ! A.1996 at -9.50e+05 assign (resid 109 and name HE# ) (resid 109 and name HD# ) 2.5 0.7 0.2 ! A.1123 at -1.31e+07 assign (resid 109 and name HE# ) (resid 109 and name HZ ) 2.5 0.7 2.5 ! A.1125 at -4.36e+06 assign (resid 109 and name HB# ) (resid 109 and name HD# ) 2.5 0.7 2.5 ! A.1095 at -3.79e+06 assign (resid 109 and name HB# ) (resid 109 and name HA ) 2.5 0.7 3.5 ! A.1094 at -2.17e+06 assign (resid 109 and name HD# ) (resid 110 and name HN ) 2.5 0.7 3.5 ! A.820 at -8.74e+05 assign (resid 109 and name HB# ) (resid 110 and name HN ) 2.5 0.7 3.5 ! A.1993 at -1.12e+06 assign (resid 109 and name HE# ) (resid 125 and name HG* ) 2.5 0.7 3.0 ! A.922 at 3.56e+06 assign (resid 109 and name HZ ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.1040 at -9.47e+05 assign (resid 109 and name HD# ) (resid 125 and name HG* ) 2.5 0.7 3.0 ! A.2138 at 4.20e+06 assign (resid 109 and name HE# ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.1763 at -8.50e+05 assign (resid 110 and name HD# ) (resid 110 and name HN ) 2.5 0.7 3.5 ! A.1562 at -1.67e+06 assign (resid 110 and name HE# ) (resid 110 and name HN ) 2.5 0.7 3.5 ! A.1004 at -4.50e+05 assign (resid 110 and name HE# ) (resid 110 and name HB# ) 2.5 0.7 3.5 ! A.2010 at -5.45e+05 assign (resid 110 and name HA ) (resid 110 and name HD# ) 2.5 0.7 3.5 ! A.991 at 4.81e+05 assign (resid 110 and name HA ) (resid 110 and name HB# ) 2.5 0.7 3.5 ! A.730 at 2.30e+06 assign (resid 110 and name HD# ) (resid 112 and name HG* ) 2.5 0.7 1.3 ! A.1193 at 7.21e+06 assign (resid 110 and name HE# ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.825 at -1.00e+06 assign (resid 110 and name HD# ) (resid 112 and name HB ) 2.5 0.7 3.5 ! A.2023 at -3.85e+05 assign (resid 110 and name HD# ) (resid 122 and name HG2# ) 2.5 0.7 3.0 ! A.889 at 4.07e+06 assign (resid 110 and name HE# ) (resid 122 and name HG1# ) 2.5 0.7 4.0 ! A.824 at -1.02e+06 assign (resid 110 and name HB# ) (resid 122 and name HG2# ) 2.5 0.7 3.0 ! A.1431 at 3.30e+06 assign (resid 110 and name HE# ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.1422 at 8.30e+05 assign (resid 110 and name HZ ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.1423 at 8.41e+05 assign (resid 110 and name HB# ) (resid 124 and name HB ) 2.5 0.7 3.5 ! A.2126 at 6.35e+05 assign (resid 110 and name HB# ) (resid 124 and name HG2# ) 2.5 0.7 4.0 ! A.996 at -7.29e+05 assign (resid 110 and name HB# ) (resid 124 and name HA ) 2.5 0.7 3.5 ! A.992 at -8.64e+05 assign (resid 110 and name HA ) (resid 124 and name HA ) 2.5 0.7 3.5 ! A.906 at 2.26e+06 assign (resid 111 and name HB# ) (resid 111 and name HA ) 2.5 0.7 3.5 ! A.1138 at -1.73e+06 assign (resid 111 and name HB# ) (resid 111 and name HN ) 2.5 0.7 3.5 ! A.2017 at -1.10e+06 assign (resid 111 and name HB# ) (resid 112 and name HN ) 2.5 0.7 3.5 ! A.831 at -1.62e+06 assign (resid 111 and name HB# ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.2019 at -4.73e+05 assign (resid 111 and name HA ) (resid 112 and name HG* ) 2.5 0.7 4.0 ! A.1073 at 8.29e+05 assign (resid 111 and name HN ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.267 at 1.15e+06 assign (resid 111 and name HB# ) (resid 123 and name HB# ) 2.5 0.7 3.5 ! A.2021 at -7.29e+05 assign (resid 111 and name HB# ) (resid 123 and name HD# ) 2.5 0.7 3.5 ! A.1136 at -5.37e+05 assign (resid 112 and name HG* ) (resid 112 and name HN ) 2.5 0.7 4.0 ! A.35 at 1.78e+06 assign (resid 112 and name HG* ) (resid 112 and name HA ) 2.5 0.7 4.0 ! A.38 at 2.95e+06 assign (resid 112 and name HG* ) (resid 114 and name HB# ) 2.5 0.7 4.0 ! A.2044 at 4.43e+05 assign (resid 112 and name HG* ) (resid 122 and name HG2# ) 2.5 0.7 1.8 ! A.2028 at 7.42e+06 assign (resid 112 and name HG* ) (resid 122 and name HA ) 2.5 0.7 4.0 ! A.1074 at 8.75e+05 assign (resid 112 and name HA ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.1424 at 1.35e+06 assign (resid 112 and name HA ) (resid 122 and name HA ) 2.5 0.7 2.5 ! A.1166 at 3.52e+06 assign (resid 112 and name HA ) (resid 122 and name HG1# ) 2.5 0.7 4.0 ! A.1414 at 1.04e+06 assign (resid 112 and name HB ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.2025 at -7.84e+05 assign (resid 112 and name HA ) (resid 123 and name HN ) 2.5 0.7 3.5 ! A.837 at 1.19e+06 assign (resid 113 and name HA ) (resid 113 and name HN ) 2.5 0.7 3.5 ! A.2029 at -1.29e+06 assign (resid 113 and name HB# ) (resid 113 and name HN ) 2.5 0.7 3.5 ! A.2032 at -1.72e+06 assign (resid 113 and name HN ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.873 at 4.04e+05 assign (resid 113 and name HB# ) (resid 121 and name HD* ) 2.5 0.7 3.0 ! A.881 at 3.07e+06 assign (resid 113 and name HB# ) (resid 121 and name HG ) 2.5 0.7 3.5 ! A.2037 at -4.96e+05 assign (resid 113 and name HB# ) (resid 121 and name HB# ) 2.5 0.7 3.5 ! A.853 at -1.29e+06 assign (resid 114 and name HB# ) (resid 114 and name HN ) 2.5 0.7 3.5 ! A.2043 at 1.29e+06 assign (resid 114 and name HA ) (resid 114 and name HN ) 2.5 0.7 3.5 ! A.2039 at 1.55e+06 assign (resid 114 and name HA ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.2040 at 7.16e+05 assign (resid 115 and name HA ) (resid 115 and name HD# ) 2.5 0.7 2.5 ! A.1239 at 4.46e+06 assign (resid 115 and name HA ) (resid 115 and name HB# ) 2.5 0.7 2.5 ! A.1240 at 3.26e+06 assign (resid 115 and name HA ) (resid 115 and name HN ) 2.5 0.7 3.5 ! A.2046 at 2.08e+06 assign (resid 115 and name HD# ) (resid 116 and name HB# ) 2.5 0.7 3.5 ! A.2059 at 6.45e+05 assign (resid 115 and name HB# ) (resid 116 and name HN ) 2.5 0.7 3.5 ! A.2050 at -5.88e+05 assign (resid 115 and name HB# ) (resid 118 and name HB# ) 2.5 0.7 3.5 ! A.2074 at 1.14e+06 assign (resid 115 and name HN ) (resid 118 and name HB# ) 2.5 0.7 3.5 ! A.2072 at 3.87e+05 assign (resid 115 and name HN ) (resid 118 and name HG# ) 2.5 0.7 3.5 ! A.2076 at -4.04e+05 assign (resid 115 and name HB# ) (resid 118 and name HG# ) 2.5 0.7 3.5 ! A.2079 at -1.72e+06 assign (resid 115 and name HD# ) (resid 118 and name HG# ) 2.5 0.7 3.5 ! A.2078 at -1.76e+06 assign (resid 116 and name HA ) (resid 116 and name HN ) 2.5 0.7 2.5 ! A.1041 at 5.08e+06 assign (resid 116 and name HB# ) (resid 117 and name HD2# ) 2.5 0.7 3.5 ! A.1190 at -4.53e+05 assign (resid 116 and name HB# ) (resid 118 and name HN ) 2.5 0.7 3.5 ! A.1188 at -5.26e+05 assign (resid 117 and name HB# ) (resid 117 and name HN ) 2.5 0.7 3.5 ! A.2069 at -9.73e+05 assign (resid 118 and name HB# ) (resid 118 and name HN ) 2.5 0.7 3.5 ! A.2073 at 1.80e+06 assign (resid 118 and name HG# ) (resid 118 and name HN ) 2.5 0.7 3.5 ! A.2077 at -2.25e+06 assign (resid 119 and name HD# ) (resid 119 and name HN ) 2.5 0.7 3.5 ! A.1247 at 2.46e+06 assign (resid 119 and name HA ) (resid 119 and name HN ) 2.5 0.7 3.5 ! A.2080 at 1.84e+06 assign (resid 120 and name HA ) (resid 120 and name HN ) 2.5 0.7 3.5 ! A.2081 at 1.95e+06 assign (resid 120 and name HA ) (resid 121 and name HD* ) 2.5 0.7 4.0 ! A.2102 at 4.82e+05 assign (resid 120 and name HB# ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.2083 at -7.16e+05 assign (resid 120 and name HD# ) (resid 122 and name HG1# ) 2.5 0.7 4.0 ! A.1420 at 1.59e+06 assign (resid 120 and name HB# ) (resid 122 and name HG1# ) 2.5 0.7 4.0 ! A.1419 at 2.25e+06 assign (resid 121 and name HA ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.2084 at -6.78e+05 assign (resid 121 and name HD* ) (resid 121 and name HN ) 2.5 0.7 4.0 ! A.2096 at 1.50e+06 assign (resid 121 and name HG ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.2094 at 1.55e+06 assign (resid 121 and name HD* ) (resid 121 and name HB# ) 2.5 0.7 3.0 ! A.2106 at 3.04e+06 assign (resid 121 and name HD* ) (resid 121 and name HA ) 2.5 0.7 3.0 ! A.2105 at 4.74e+06 assign (resid 121 and name HB# ) (resid 121 and name HN ) 2.5 0.7 3.5 ! A.2088 at -1.03e+06 assign (resid 121 and name HB# ) (resid 121 and name HA ) 2.5 0.7 3.5 ! A.2090 at -1.42e+06 assign (resid 121 and name HA ) (resid 122 and name HG2# ) 2.5 0.7 4.0 ! A.2085 at -9.70e+05 assign (resid 122 and name HG2# ) (resid 122 and name HA ) 2.5 0.7 3.0 ! A.1426 at 5.24e+06 assign (resid 122 and name HG2# ) (resid 122 and name HB ) 2.5 0.7 1.3 ! A.1433 at 9.32e+06 assign (resid 122 and name HA ) (resid 122 and name HB ) 2.5 0.7 3.5 ! A.1261 at 1.02e+06 assign (resid 122 and name HG1# ) (resid 122 and name HB ) 2.5 0.7 0.7 ! A.1412 at 1.20e+07 assign (resid 122 and name HG1# ) (resid 122 and name HA ) 2.5 0.7 3.0 ! A.1413 at 5.36e+06 assign (resid 122 and name HG1# ) (resid 122 and name HN ) 2.5 0.7 3.0 ! A.1405 at 4.93e+06 assign (resid 122 and name HB ) (resid 122 and name HN ) 2.5 0.7 3.5 ! A.2112 at -2.53e+06 assign (resid 122 and name HG2# ) (resid 123 and name HN ) 2.5 0.7 3.0 ! A.266 at 3.42e+06 assign (resid 123 and name HD# ) (resid 123 and name HB# ) 2.5 0.7 2.5 ! A.954 at -4.02e+06 assign (resid 123 and name HD# ) (resid 123 and name HA ) 2.5 0.7 3.5 ! A.897 at -1.91e+06 assign (resid 123 and name HD# ) (resid 123 and name HN ) 2.5 0.7 3.5 ! A.895 at -4.60e+05 assign (resid 123 and name HZ ) (resid 123 and name HB# ) 2.5 0.7 3.5 ! A.903 at -4.56e+05 assign (resid 123 and name HB# ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.893 at -9.44e+05 assign (resid 123 and name HB# ) (resid 123 and name HN ) 2.5 0.7 3.5 ! A.2121 at -2.04e+06 assign (resid 123 and name HA ) (resid 123 and name HE# ) 2.5 0.7 3.5 ! A.1212 at 4.74e+05 assign (resid 123 and name HD# ) (resid 124 and name HN ) 2.5 0.7 3.5 ! A.896 at -5.27e+05 assign (resid 123 and name HZ ) (resid 125 and name HG* ) 2.5 0.7 3.0 ! A.920 at 3.98e+06 assign (resid 124 and name HB ) (resid 124 and name HN ) 2.5 0.7 3.5 ! A.2125 at 2.79e+06 assign (resid 124 and name HG2# ) (resid 124 and name HN ) 2.5 0.7 4.0 ! A.912 at 2.14e+06 assign (resid 124 and name HG2# ) (resid 124 and name HB ) 2.5 0.7 1.3 ! A.2129 at 7.11e+06 assign (resid 124 and name HA ) (resid 125 and name HG* ) 2.5 0.7 4.0 ! A.2145 at 8.92e+05 assign (resid 125 and name HG* ) (resid 125 and name HA ) 2.5 0.7 3.0 ! A.2141 at 3.40e+06 assign (resid 125 and name HG* ) (resid 125 and name HN ) 2.5 0.7 3.0 ! A.2143 at 3.79e+06 assign (resid 125 and name HB ) (resid 125 and name HN ) 2.5 0.7 3.5 ! A.2133 at -1.23e+06 assign (resid 126 and name HA ) (resid 127 and name HB# ) 2.5 0.7 4.0 ! A.2155 at 1.19e+06 assign (resid 127 and name HA ) (resid 127 and name HN ) 2.5 0.7 3.5 ! A.2153 at -2.12e+06 assign (resid 127 and name HB# ) (resid 127 and name HA ) 2.5 0.7 1.3 ! A.1442 at 6.65e+06 assign (resid 127 and name HB# ) (resid 127 and name HN ) 2.5 0.7 3.0 ! A.1441 at 3.60e+06 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: new.pck ! Date: Thu Jun 23 12:48:19 EDT 2011 ! Path: /net/mcai/pf12-ph5/n15noe !
Contact the webmaster for help, if required. Sunday, May 19, 2024 9:27:41 AM GMT (wattos1)