NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12096 |
1sjq   |
6178 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
!Distance restraints below assign (resid 13 and name ha+ ) (resid 14 and name hb ) 5.50 3.60 0.00 ! 2 assign (resid 13 and name ha+ ) (resid 14 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 14 and name ha ) (resid 14 and name hg++ ) 2.81 0.91 0.00 ! 8 assign (resid 14 and name hn ) (resid 14 and name hg++ ) 2.50 0.60 0.00 ! 9 assign (resid 14 and name hn ) (resid 14 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 14 and name hb ) (resid 14 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 14 and name ha ) (resid 15 and name hd+ ) 2.50 0.60 0.00 ! 12 assign (resid 14 and name hg++ ) (resid 15 and name hd+ ) 2.50 0.60 0.00 ! 10 assign (resid 14 and name hn ) (resid 66 and name hd2+ ) 4.94 3.04 0.00 ! 3 assign (resid 14 and name hg++ ) (resid 66 and name hb+ ) 5.50 3.60 0.00 ! 2 assign (resid 15 and name ha ) (resid 15 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 15 and name hb+ ) (resid 16 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 16 and name ha ) (resid 17 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 16 and name ha ) (resid 65 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 16 and name hb+ ) (resid 16 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 16 and name hn ) (resid 16 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 16 and name hn ) (resid 17 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 17 and name ha ) (resid 17 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 17 and name hn ) (resid 17 and name hb+ ) 5.50 3.60 0.00 ! 2 assign (resid 18 and name ha ) (resid 59 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 18 and name hn ) (resid 18 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 18 and name ha ) (resid 19 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 18 and name hb ) (resid 19 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 18 and name ha ) (resid 18 and name hg++ ) 3.52 1.62 0.00 ! 6 assign (resid 18 and name hn ) (resid 18 and name hg++ ) 4.94 3.04 0.00 ! 3 assign (resid 18 and name hg++ ) (resid 19 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 18 and name hg++ ) (resid 58 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 18 and name hg++ ) (resid 56 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 18 and name hg++ ) (resid 56 and name hd+ ) 2.81 0.91 0.00 ! 8 assign (resid 18 and name hg++ ) (resid 89 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 18 and name hg++ ) (resid 91 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 18 and name hb ) (resid 91 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 18 and name hg++ ) (resid 93 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 18 and name hg++ ) (resid 93 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 18 and name hg++ ) (resid 94 and name hd++ ) 3.15 1.25 0.00 ! 7 assign (resid 19 and name ha ) (resid 19 and name hd1+ ) 3.52 1.62 0.00 ! 6 assign (resid 19 and name ha ) (resid 19 and name hg2+ ) 3.15 1.25 0.00 ! 7 assign (resid 19 and name hg2+ ) (resid 19 and name hd1+ ) 3.15 1.25 0.00 ! 7 assign (resid 19 and name hg1+ ) (resid 19 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 19 and name hg1+ ) (resid 19 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 19 and name hg1+ ) (resid 19 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 19 and name ha ) (resid 20 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 19 and name ha ) (resid 89 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 19 and name hg2+ ) (resid 20 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 19 and name hb ) (resid 20 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 19 and name hd1+ ) (resid 20 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 19 and name hd1+ ) (resid 59 and name hg+ ) 3.15 1.25 0.00 ! 7 assign (resid 19 and name hd1+ ) (resid 69 and name hg2+ ) 2.50 0.60 0.00 ! 11 assign (resid 19 and name hd1+ ) (resid 65 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 19 and name hd1+ ) (resid 65 and name hb+ ) 2.50 0.60 0.00 ! 10 assign (resid 19 and name hd1+ ) (resid 69 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 19 and name hd1+ ) (resid 87 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 19 and name hd1+ ) (resid 89 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 19 and name hg1+ ) (resid 65 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 19 and name hg1+ ) (resid 69 and name hg2+ ) 3.94 2.04 0.00 ! 5 assign (resid 19 and name hg2+ ) (resid 20 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 19 and name hg2+ ) (resid 68 and name he+ ) 3.15 1.25 0.00 ! 7 assign (resid 19 and name hg2+ ) (resid 69 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 19 and name hg2+ ) (resid 86 and name hd1+ ) 4.94 3.04 0.00 ! 3 assign (resid 19 and name hg2+ ) (resid 87 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 19 and name hg2+ ) (resid 89 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 19 and name hb ) (resid 56 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 19 and name hn ) (resid 57 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 19 and name hn ) (resid 58 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 19 and name ha ) (resid 88 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 20 and name ha ) (resid 20 and name hd2 ) 3.52 1.62 0.00 ! 6 assign (resid 20 and name ha ) (resid 20 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 20 and name ha ) (resid 21 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 20 and name ha ) (resid 21 and name hd1+ ) 5.50 3.60 0.00 ! 1 assign (resid 20 and name ha ) (resid 56 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 20 and name ha ) (resid 56 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 20 and name ha ) (resid 57 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 20 and name hb1 ) (resid 21 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 20 and name hb+ ) (resid 20 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 20 and name hn ) (resid 20 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 20 and name ha ) (resid 21 and name hg1+ ) 5.50 3.60 0.00 ! 2 assign (resid 20 and name hd2 ) (resid 21 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 20 and name hd2 ) (resid 55 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 20 and name hn ) (resid 87 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 20 and name hn ) (resid 89 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 20 and name hb2 ) (resid 89 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 21 and name hn ) (resid 21 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 21 and name hg2+ ) (resid 22 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 21 and name hd1+ ) (resid 33 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 21 and name hd1+ ) (resid 68 and name he+ ) 3.15 1.25 0.00 ! 7 assign (resid 21 and name hd1+ ) (resid 86 and name hd1+ ) 5.50 3.60 0.00 ! 2 assign (resid 21 and name hg2+ ) (resid 86 and name hd1+ ) 5.50 3.60 0.00 ! 2 assign (resid 21 and name hn ) (resid 55 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 21 and name hn ) (resid 56 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 22 and name hn ) (resid 22 and name hb+ ) 5.50 3.60 0.00 ! 1 assign (resid 22 and name ha ) (resid 23 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 22 and name hn ) (resid 23 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 22 and name hb+ ) (resid 23 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 22 and name ha ) (resid 54 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 22 and name hn ) (resid 85 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 22 and name hb+ ) (resid 85 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 22 and name hn ) (resid 85 and name hb+ ) 5.50 3.60 0.00 ! 2 assign (resid 23 and name hg+ ) (resid 85 and name hd+ ) 4.94 3.04 0.00 ! 3 assign (resid 23 and name hg+ ) (resid 85 and name he+ ) 5.50 3.60 0.00 ! 1 assign (resid 22 and name hn ) (resid 86 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 22 and name hn ) (resid 87 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 23 and name ha ) (resid 23 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 23 and name hd+ ) (resid 23 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 23 and name hg+ ) (resid 23 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 23 and name he+ ) (resid 23 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 23 and name hn ) (resid 23 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 23 and name ha ) (resid 24 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 23 and name hn ) (resid 24 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 23 and name ha ) (resid 53 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 23 and name hb+ ) (resid 84 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 23 and name hb+ ) (resid 85 and name hd+ ) 3.52 1.62 0.00 ! 6 assign (resid 23 and name hn ) (resid 23 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 23 and name hn ) (resid 54 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 24 and name hn ) (resid 24 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 24 and name ha ) (resid 24 and name hd++ ) 2.50 0.60 0.00 ! 9 assign (resid 24 and name ha ) (resid 25 and name hd+ ) 2.50 0.60 0.00 ! 10 assign (resid 24 and name hb+ ) (resid 24 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 24 and name hb+ ) (resid 24 and name hd++ ) 3.15 1.25 0.00 ! 7 assign (resid 24 and name hb+ ) (resid 25 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 24 and name hd++ ) (resid 28 and name hg++ ) 3.52 1.62 0.00 ! 6 assign (resid 24 and name hd++ ) (resid 48 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 24 and name hb+ ) (resid 53 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 24 and name hd++ ) (resid 54 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 24 and name hd++ ) (resid 54 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 24 and name hd++ ) (resid 55 and name hb+ ) 2.50 0.60 0.00 ! 11 assign (resid 24 and name hd++ ) (resid 25 and name hd+ ) 3.52 1.62 0.00 ! 6 assign (resid 24 and name hn ) (resid 24 and name hd++ ) 4.41 2.51 0.00 ! 4 assign (resid 24 and name hn ) (resid 24 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 24 and name hn ) (resid 53 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 24 and name ha ) (resid 84 and name hd1+ ) 4.41 2.51 0.00 ! 4 assign (resid 24 and name ha ) (resid 84 and name hg2+ ) 3.15 1.25 0.00 ! 7 assign (resid 24 and name hd++ ) (resid 84 and name hb ) 2.81 0.91 0.00 ! 8 assign (resid 25 and name ha ) (resid 26 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 25 and name hb+ ) (resid 25 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 25 and name ha ) (resid 26 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 25 and name hd+ ) (resid 28 and name hg++ ) 3.52 1.62 0.00 ! 6 assign (resid 25 and name hd+ ) (resid 84 and name hd1+ ) 4.41 2.51 0.00 ! 4 assign (resid 25 and name hd+ ) (resid 84 and name hg2+ ) 3.15 1.25 0.00 ! 7 assign (resid 25 and name hg+ ) (resid 28 and name hg++ ) 4.94 3.04 0.00 ! 3 assign (resid 26 and name hg1+ ) (resid 26 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 26 and name hg1+ ) (resid 26 and name hg2+ ) 2.81 0.91 0.00 ! 8 assign (resid 26 and name ha ) (resid 26 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 26 and name ha ) (resid 26 and name hd1+ ) 3.52 1.62 0.00 ! 6 assign (resid 26 and name ha ) (resid 27 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 26 and name ha ) (resid 28 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 26 and name hg2+ ) (resid 27 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 26 and name ha ) (resid 53 and name hd2+ ) 5.50 3.60 0.00 ! 2 assign (resid 26 and name hd1+ ) (resid 53 and name hd2+ ) 5.50 3.60 0.00 ! 2 assign (resid 26 and name hg2+ ) (resid 53 and name hd2+ ) 3.94 2.04 0.00 ! 5 assign (resid 26 and name hg2+ ) (resid 56 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 27 and name ha ) (resid 28 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 27 and name hn ) (resid 27 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 27 and name hb+ ) (resid 27 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 27 and name hn ) (resid 27 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 27 and name hb+ ) (resid 28 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 27 and name hn ) (resid 28 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 28 and name ha ) (resid 29 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 28 and name ha ) (resid 29 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 28 and name hg++ ) (resid 29 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 28 and name hg++ ) (resid 32 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 28 and name hg++ ) (resid 32 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 28 and name hg++ ) (resid 33 and name hg2+ ) 2.50 0.60 0.00 ! 9 assign (resid 28 and name hg++ ) (resid 33 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 28 and name hg++ ) (resid 33 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 28 and name hn ) (resid 28 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 28 and name ha ) (resid 28 and name hg++ ) 2.50 0.60 0.00 ! 10 assign (resid 28 and name hn ) (resid 28 and name hg++ ) 2.50 0.60 0.00 ! 11 assign (resid 28 and name hn ) (resid 29 and name hg2+ ) 5.50 3.60 0.00 ! 1 assign (resid 28 and name hg++ ) (resid 48 and name he+ ) 3.52 1.62 0.00 ! 6 assign (resid 28 and name hn ) (resid 29 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 29 and name hn ) (resid 29 and name hg2+ ) 2.81 0.91 0.00 ! 8 assign (resid 29 and name hb ) (resid 30 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 29 and name hn ) (resid 30 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 29 and name hg2+ ) (resid 30 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 29 and name hb ) (resid 31 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 29 and name hg2+ ) (resid 31 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 29 and name hn ) (resid 32 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 29 and name ha ) (resid 48 and name he+ ) 3.52 1.62 0.00 ! 6 assign (resid 29 and name hn ) (resid 84 and name hd1+ ) 5.50 3.60 0.00 ! 2 assign (resid 30 and name hg+ ) (resid 30 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 30 and name hn ) (resid 30 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 30 and name hb+ ) (resid 31 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 30 and name ha ) (resid 33 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 30 and name ha ) (resid 33 and name hg1+ ) 5.50 3.60 0.00 ! 1 assign (resid 30 and name ha ) (resid 33 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 30 and name ha ) (resid 33 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 30 and name hn ) (resid 30 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 30 and name ha ) (resid 31 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 30 and name hn ) (resid 31 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 30 and name ha ) (resid 34 and name hd1+ ) 3.94 2.04 0.00 ! 5 assign (resid 30 and name ha ) (resid 34 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 30 and name hg+ ) (resid 46 and name hd++ ) 2.50 0.60 0.00 ! 10 assign (resid 31 and name ha+ ) (resid 32 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 31 and name hn ) (resid 33 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 31 and name ha+ ) (resid 34 and name hd1+ ) 3.94 2.04 0.00 ! 5 assign (resid 31 and name ha+ ) (resid 34 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 31 and name ha+ ) (resid 34 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 31 and name hn ) (resid 31 and name ha+ ) 2.50 0.60 0.00 ! 9 assign (resid 31 and name hn ) (resid 32 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 32 and name ha ) (resid 32 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 31 and name ha+ ) (resid 34 and name hb ) 4.41 2.51 0.00 ! 4 assign (resid 32 and name hg+ ) (resid 32 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 32 and name ha ) (resid 32 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 32 and name ha ) (resid 33 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 32 and name hb+ ) (resid 33 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 32 and name hn ) (resid 32 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 32 and name ha ) (resid 35 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 32 and name hn ) (resid 33 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 32 and name hn ) (resid 33 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 32 and name hn ) (resid 34 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 33 and name ha ) (resid 33 and name hg1+ ) 2.50 0.60 0.00 ! 9 assign (resid 33 and name ha ) (resid 33 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 33 and name ha ) (resid 33 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 33 and name ha ) (resid 34 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 33 and name hb ) (resid 33 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 33 and name hg1+ ) (resid 34 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 33 and name hg2+ ) (resid 34 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 33 and name hn ) (resid 33 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 33 and name hn ) (resid 33 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 33 and name hn ) (resid 33 and name hg1+ ) 3.94 2.04 0.00 ! 5 assign (resid 33 and name hb ) (resid 34 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 33 and name hn ) (resid 34 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 33 and name hn ) (resid 35 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 33 and name ha ) (resid 36 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 33 and name hg1+ ) (resid 57 and name hg1+ ) 5.50 3.60 0.00 ! 2 assign (resid 34 and name ha ) (resid 34 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 34 and name ha ) (resid 34 and name hd1+ ) 3.52 1.62 0.00 ! 6 assign (resid 34 and name ha ) (resid 34 and name hg2+ ) 2.50 0.60 0.00 ! 9 assign (resid 34 and name hn ) (resid 34 and name hb ) 2.81 0.91 0.00 ! 8 assign (resid 34 and name hn ) (resid 34 and name hd1+ ) 3.52 1.62 0.00 ! 6 assign (resid 34 and name hn ) (resid 34 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 34 and name ha ) (resid 34 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 34 and name hb ) (resid 35 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 34 and name ha ) (resid 35 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 34 and name ha ) (resid 36 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 34 and name ha ) (resid 37 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 34 and name ha ) (resid 43 and name hg1+ ) 4.41 2.51 0.00 ! 4 assign (resid 34 and name ha ) (resid 43 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 34 and name ha ) (resid 46 and name hd++ ) 5.50 3.60 0.00 ! 1 assign (resid 34 and name hn ) (resid 46 and name hd++ ) 5.50 3.60 0.00 ! 2 assign (resid 34 and name ha ) (resid 57 and name hd1+ ) 3.94 2.04 0.00 ! 5 assign (resid 34 and name ha ) (resid 57 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 34 and name hg2+ ) (resid 35 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 34 and name hg2+ ) (resid 38 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 34 and name hn ) (resid 35 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 35 and name hn ) (resid 36 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 36 and name ha ) (resid 36 and name hd++ ) 2.50 0.60 0.00 ! 11 assign (resid 36 and name ha ) (resid 36 and name hb1 ) 4.41 2.51 0.00 ! 4 assign (resid 36 and name hn ) (resid 36 and name hb2 ) 3.94 2.04 0.00 ! 5 assign (resid 36 and name hd++ ) (resid 86 and name hd1+ ) 3.94 2.04 0.00 ! 5 assign (resid 36 and name hn ) (resid 36 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 36 and name ha ) (resid 37 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 36 and name hn ) (resid 37 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 36 and name hb2 ) (resid 37 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 36 and name hn ) (resid 38 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 36 and name ha ) (resid 68 and name he+ ) 4.94 3.04 0.00 ! 3 assign (resid 37 and name hn ) (resid 68 and name he+ ) 4.41 2.51 0.00 ! 4 assign (resid 36 and name hb1 ) (resid 68 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 36 and name hd++ ) (resid 72 and name he+ ) 4.94 3.04 0.00 ! 3 assign (resid 37 and name ha1 ) (resid 43 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 37 and name ha2 ) (resid 43 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 37 and name hn ) (resid 43 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 37 and name ha+ ) (resid 57 and name hd1+ ) 4.94 3.04 0.00 ! 3 assign (resid 37 and name ha+ ) (resid 68 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 37 and name hn ) (resid 37 and name ha+ ) 2.81 0.91 0.00 ! 8 assign (resid 37 and name ha+ ) (resid 38 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 37 and name ha+ ) (resid 40 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 37 and name hn ) (resid 38 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 38 and name ha ) (resid 38 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 38 and name ha ) (resid 38 and name hd++ ) 2.50 0.60 0.00 ! 10 assign (resid 38 and name hb+ ) (resid 39 and name hd+ ) 3.52 1.62 0.00 ! 6 assign (resid 38 and name hd++ ) (resid 42 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 38 and name hd++ ) (resid 43 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 38 and name hn ) (resid 38 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 38 and name hn ) (resid 38 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 38 and name hn ) (resid 38 and name hd++ ) 3.15 1.25 0.00 ! 7 assign (resid 38 and name hn ) (resid 39 and name hd+ ) 3.15 1.25 0.00 ! 7 assign (resid 38 and name ha ) (resid 40 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 38 and name ha ) (resid 41 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 38 and name hn ) (resid 43 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 39 and name hb+ ) (resid 39 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 39 and name ha ) (resid 40 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 39 and name hb+ ) (resid 40 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 39 and name hd+ ) (resid 40 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 40 and name hb1 ) (resid 40 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 40 and name hb2 ) (resid 41 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hn ) (resid 59 and name he+ ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hb1 ) (resid 59 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 40 and name hb1 ) (resid 64 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 40 and name hb1 ) (resid 67 and name hb ) 5.50 3.60 0.00 ! 1 assign (resid 40 and name hb+ ) (resid 67 and name hg2+ ) 3.94 2.04 0.00 ! 5 assign (resid 40 and name hd+ ) (resid 40 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name he+ ) (resid 40 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hd+ ) (resid 67 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 40 and name he+ ) (resid 67 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 40 and name he+ ) (resid 68 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 40 and name he+ ) (resid 71 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hn ) (resid 40 and name hb1 ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hn ) (resid 40 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 40 and name hn ) (resid 41 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 40 and name hd+ ) (resid 41 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 40 and name hd+ ) (resid 64 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 40 and name hd+ ) (resid 68 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 40 and name hz ) (resid 71 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 40 and name hz ) (resid 71 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 40 and name hz ) (resid 72 and name he+ ) 5.50 3.60 0.00 ! 1 assign (resid 41 and name ha+ ) (resid 59 and name he+ ) 3.94 2.04 0.00 ! 5 assign (resid 41 and name ha+ ) (resid 64 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 42 and name ha ) (resid 42 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 42 and name hn ) (resid 42 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 42 and name ha ) (resid 43 and name hb ) 4.94 3.04 0.00 ! 3 assign (resid 43 and name ha ) (resid 45 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 42 and name ha ) (resid 43 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 42 and name ha ) (resid 43 and name hn ) 2.50 0.60 0.00 ! 11 assign (resid 42 and name hb+ ) (resid 43 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 42 and name hb+ ) (resid 44 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 42 and name hn ) (resid 43 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 42 and name hn ) (resid 60 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 42 and name hn ) (resid 59 and name hb1 ) 5.50 3.60 0.00 ! 1 assign (resid 42 and name hn ) (resid 60 and name hb2 ) 5.50 3.60 0.00 ! 2 assign (resid 42 and name ha ) (resid 64 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 42 and name hb+ ) (resid 60 and name hb2 ) 3.94 2.04 0.00 ! 5 assign (resid 42 and name hn ) (resid 42 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 43 and name hn ) (resid 43 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 43 and name ha ) (resid 43 and name hg1+ ) 2.81 0.91 0.00 ! 8 assign (resid 43 and name ha ) (resid 43 and name hg2+ ) 2.81 0.91 0.00 ! 8 assign (resid 43 and name hg1+ ) (resid 44 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 43 and name hg1+ ) (resid 44 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 43 and name hg2+ ) (resid 44 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 43 and name ha ) (resid 44 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 43 and name ha ) (resid 44 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 43 and name hg1+ ) (resid 46 and name hb2 ) 4.94 3.04 0.00 ! 3 assign (resid 43 and name ha ) (resid 59 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 43 and name ha ) (resid 59 and name he+ ) 4.94 3.04 0.00 ! 3 assign (resid 43 and name hg1+ ) (resid 45 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 43 and name hg2+ ) (resid 45 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 43 and name hg1+ ) (resid 57 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 43 and name hg1+ ) (resid 58 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 43 and name hg1+ ) (resid 59 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 43 and name hg2+ ) (resid 59 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 43 and name hg2+ ) (resid 59 and name he+ ) 2.50 0.60 0.00 ! 9 assign (resid 43 and name hn ) (resid 43 and name hg1+ ) 4.41 2.51 0.00 ! 4 assign (resid 43 and name hn ) (resid 43 and name hg2+ ) 2.81 0.91 0.00 ! 8 assign (resid 43 and name hb ) (resid 43 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 44 and name hg2+ ) (resid 44 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 44 and name hg2+ ) (resid 45 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 44 and name ha ) (resid 45 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 44 and name hb ) (resid 45 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 44 and name hn ) (resid 45 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 44 and name hg2+ ) (resid 59 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 44 and name hg2+ ) (resid 60 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 44 and name hb ) (resid 60 and name hb2 ) 5.50 3.60 0.00 ! 1 assign (resid 44 and name hg2+ ) (resid 60 and name hb1 ) 2.81 0.91 0.00 ! 8 assign (resid 44 and name hn ) (resid 44 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 44 and name hn ) (resid 44 and name hb ) 4.94 3.04 0.00 ! 3 assign (resid 44 and name hn ) (resid 59 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 45 and name hn ) (resid 45 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 45 and name hd2+ ) (resid 45 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 45 and name hb+ ) (resid 46 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 45 and name ha ) (resid 46 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 45 and name hn ) (resid 46 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 45 and name hb+ ) (resid 58 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 45 and name hn ) (resid 58 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 45 and name hb+ ) (resid 58 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 45 and name hb+ ) (resid 94 and name hd++ ) 3.52 1.62 0.00 ! 6 assign (resid 46 and name ha ) (resid 46 and name hd++ ) 2.50 0.60 0.00 ! 9 assign (resid 46 and name hn ) (resid 46 and name hb1 ) 4.94 3.04 0.00 ! 3 assign (resid 46 and name hb2 ) (resid 47 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 46 and name hn ) (resid 47 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 46 and name hd++ ) (resid 47 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 46 and name hd++ ) (resid 48 and name hg+ ) 4.41 2.51 0.00 ! 4 assign (resid 46 and name hd++ ) (resid 57 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 46 and name hb2 ) (resid 57 and name hg2+ ) 3.94 2.04 0.00 ! 5 assign (resid 46 and name ha ) (resid 57 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 47 and name ha ) (resid 48 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 47 and name hd++ ) (resid 56 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 47 and name hb1 ) (resid 56 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 47 and name hd++ ) (resid 56 and name hd+ ) 3.15 1.25 0.00 ! 7 assign (resid 47 and name hd++ ) (resid 56 and name hb+ ) 4.94 3.04 0.00 ! 3 assign (resid 47 and name hb1 ) (resid 56 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 47 and name hb1 ) (resid 56 and name he+ ) 5.50 3.60 0.00 ! 1 assign (resid 47 and name hn ) (resid 57 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 47 and name hd++ ) (resid 48 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 47 and name hb1 ) (resid 47 and name hd++ ) 2.81 0.91 0.00 ! 8 assign (resid 47 and name hn ) (resid 47 and name hd++ ) 4.41 2.51 0.00 ! 4 assign (resid 47 and name hb1 ) (resid 94 and name hd++ ) 3.94 2.04 0.00 ! 5 assign (resid 47 and name hn ) (resid 94 and name hd++ ) 4.41 2.51 0.00 ! 4 assign (resid 48 and name he+ ) (resid 50 and name he+ ) 3.52 1.62 0.00 ! 6 assign (resid 48 and name ha ) (resid 55 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 48 and name ha ) (resid 55 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 48 and name hg+ ) (resid 55 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 48 and name hn ) (resid 48 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 48 and name hg+ ) (resid 48 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 48 and name hn ) (resid 49 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 49 and name ha ) (resid 50 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 49 and name hb+ ) (resid 54 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 49 and name hn ) (resid 55 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 49 and name hd++ ) (resid 56 and name he+ ) 5.50 3.60 0.00 ! 2 assign (resid 49 and name hn ) (resid 56 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 49 and name hd++ ) (resid 54 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 49 and name hd++ ) (resid 54 and name hb2 ) 3.94 2.04 0.00 ! 5 assign (resid 50 and name hn ) (resid 50 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 50 and name ha ) (resid 54 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 52 and name hn ) (resid 53 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 53 and name hb+ ) (resid 53 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 53 and name hb+ ) (resid 53 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 53 and name hd2+ ) (resid 53 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 53 and name hd2+ ) (resid 53 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 53 and name hn ) (resid 53 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 53 and name ha ) (resid 54 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 53 and name hn ) (resid 54 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 53 and name hb+ ) (resid 54 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 54 and name ha ) (resid 54 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 54 and name hn ) (resid 55 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 54 and name ha ) (resid 55 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 54 and name ha ) (resid 55 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 54 and name hg+ ) (resid 54 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 54 and name hg+ ) (resid 54 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 54 and name hb1 ) (resid 54 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 54 and name hn ) (resid 54 and name hb2 ) 4.94 3.04 0.00 ! 3 assign (resid 54 and name hb1 ) (resid 55 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 55 and name ha ) (resid 55 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 55 and name ha ) (resid 56 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 55 and name ha ) (resid 56 and name hb+ ) 5.50 3.60 0.00 ! 1 assign (resid 55 and name ha ) (resid 56 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 55 and name hb+ ) (resid 56 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 55 and name hn ) (resid 55 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 56 and name ha ) (resid 56 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 56 and name ha ) (resid 56 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 56 and name ha ) (resid 57 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 56 and name hb+ ) (resid 56 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 56 and name hb+ ) (resid 56 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 56 and name hb+ ) (resid 57 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 56 and name hb+ ) (resid 94 and name hd++ ) 4.94 3.04 0.00 ! 3 assign (resid 56 and name hd+ ) (resid 56 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 56 and name hd+ ) (resid 57 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 56 and name hd+ ) (resid 94 and name hd++ ) 4.94 3.04 0.00 ! 3 assign (resid 57 and name ha ) (resid 57 and name hg2+ ) 3.15 1.25 0.00 ! 7 assign (resid 57 and name ha ) (resid 57 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 57 and name hn ) (resid 57 and name hb ) 4.41 2.51 0.00 ! 4 assign (resid 57 and name ha ) (resid 58 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 57 and name hb ) (resid 58 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 57 and name hn ) (resid 58 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 57 and name hg2+ ) (resid 58 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 57 and name hg2+ ) (resid 59 and name hg+ ) 5.50 3.60 0.00 ! 1 assign (resid 58 and name ha ) (resid 65 and name hb+ ) 5.50 3.60 0.00 ! 1 assign (resid 58 and name hn ) (resid 58 and name hb+ ) 5.50 3.60 0.00 ! 2 assign (resid 58 and name ha ) (resid 59 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 58 and name hg+ ) (resid 94 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 58 and name hn ) (resid 94 and name hd++ ) 5.50 3.60 0.00 ! 1 assign (resid 59 and name ha ) (resid 59 and name hb1 ) 4.94 3.04 0.00 ! 3 assign (resid 59 and name hg+ ) (resid 59 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 59 and name hn ) (resid 59 and name hb2 ) 5.50 3.60 0.00 ! 2 assign (resid 59 and name ha ) (resid 59 and name he+ ) 3.15 1.25 0.00 ! 7 assign (resid 59 and name ha ) (resid 59 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 59 and name he+ ) (resid 60 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 59 and name ha ) (resid 60 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 59 and name ha ) (resid 60 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 59 and name ha ) (resid 61 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 59 and name ha ) (resid 64 and name hb+ ) 5.50 3.60 0.00 ! 1 assign (resid 59 and name he+ ) (resid 64 and name hb+ ) 2.50 0.60 0.00 ! 10 assign (resid 59 and name hb2 ) (resid 65 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 59 and name hg+ ) (resid 65 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 59 and name hg+ ) (resid 65 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 60 and name ha ) (resid 61 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 60 and name hn ) (resid 60 and name hb2 ) 3.94 2.04 0.00 ! 5 assign (resid 60 and name hd2+ ) (resid 60 and name hb2 ) 4.41 2.51 0.00 ! 4 assign (resid 60 and name hb2 ) (resid 61 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 60 and name hd2+ ) (resid 61 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 60 and name hn ) (resid 60 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 60 and name hn ) (resid 61 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 60 and name hn ) (resid 64 and name hb+ ) 5.50 3.60 0.00 ! 2 assign (resid 61 and name hg2+ ) (resid 62 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 61 and name hg2+ ) (resid 62 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 61 and name hg2+ ) (resid 63 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 61 and name hn ) (resid 62 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 61 and name hn ) (resid 63 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 61 and name hn ) (resid 64 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 61 and name hn ) (resid 65 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 62 and name hg+ ) (resid 62 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 62 and name ha ) (resid 62 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 62 and name hn ) (resid 62 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 62 and name ha ) (resid 63 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 62 and name ha ) (resid 65 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 62 and name hn ) (resid 62 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 62 and name hn ) (resid 63 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 63 and name ha ) (resid 63 and name hb+ ) 2.50 0.60 0.00 ! 10 assign (resid 63 and name ha ) (resid 64 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 63 and name ha ) (resid 66 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 63 and name hn ) (resid 63 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 63 and name ha ) (resid 66 and name hd2+ ) 4.41 2.51 0.00 ! 4 assign (resid 63 and name hg+ ) (resid 63 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 63 and name hn ) (resid 63 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 63 and name hn ) (resid 64 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 63 and name hg+ ) (resid 63 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 63 and name hb+ ) (resid 64 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 63 and name hb+ ) (resid 67 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 64 and name hn ) (resid 64 and name hb+ ) 2.50 0.60 0.00 ! 10 assign (resid 64 and name hb+ ) (resid 65 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 64 and name ha ) (resid 65 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 64 and name ha ) (resid 67 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 64 and name ha ) (resid 67 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 64 and name ha ) (resid 67 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 64 and name ha ) (resid 68 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 64 and name hn ) (resid 65 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 65 and name ha ) (resid 66 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 65 and name ha ) (resid 68 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 65 and name ha ) (resid 69 and name hg2+ ) 5.50 3.60 0.00 ! 1 assign (resid 65 and name hb+ ) (resid 69 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 65 and name hn ) (resid 65 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 65 and name hn ) (resid 66 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 65 and name hn ) (resid 67 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 66 and name ha ) (resid 69 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 66 and name ha ) (resid 66 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 66 and name hn ) (resid 66 and name hb+ ) 2.50 0.60 0.00 ! 9 assign (resid 66 and name hd2+ ) (resid 66 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 66 and name hb+ ) (resid 67 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 66 and name ha ) (resid 67 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 66 and name ha ) (resid 69 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 66 and name ha ) (resid 69 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 66 and name hd2+ ) (resid 66 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 66 and name hn ) (resid 66 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 66 and name hn ) (resid 67 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 66 and name ha ) (resid 88 and name he+ ) 2.50 0.60 0.00 ! 11 assign (resid 67 and name ha ) (resid 67 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 67 and name ha ) (resid 67 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 67 and name hn ) (resid 67 and name hb ) 3.15 1.25 0.00 ! 7 assign (resid 67 and name hg2+ ) (resid 67 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 67 and name hg2+ ) (resid 68 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 67 and name ha ) (resid 68 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 67 and name hb ) (resid 68 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 67 and name hn ) (resid 68 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 67 and name ha ) (resid 70 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 67 and name ha ) (resid 70 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 67 and name hg2+ ) (resid 71 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 67 and name hg2+ ) (resid 71 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 67 and name hg2+ ) (resid 72 and name he+ ) 5.50 3.60 0.00 ! 2 assign (resid 67 and name hn ) (resid 67 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 67 and name hn ) (resid 67 and name hg2+ ) 3.94 2.04 0.00 ! 5 assign (resid 68 and name ha ) (resid 69 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 68 and name ha ) (resid 71 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 68 and name he+ ) (resid 69 and name hg2+ ) 5.50 3.60 0.00 ! 2 assign (resid 68 and name ha ) (resid 71 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 68 and name he+ ) (resid 72 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 68 and name he+ ) (resid 72 and name he+ ) 2.81 0.91 0.00 ! 8 assign (resid 68 and name he+ ) (resid 86 and name hd1+ ) 2.50 0.60 0.00 ! 9 assign (resid 68 and name he+ ) (resid 86 and name hg2+ ) 3.15 1.25 0.00 ! 7 assign (resid 68 and name hg+ ) (resid 68 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 68 and name hn ) (resid 69 and name hg2+ ) 5.50 3.60 0.00 ! 1 assign (resid 68 and name hn ) (resid 69 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 68 and name hn ) (resid 69 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 68 and name hb+ ) (resid 72 and name hd+ ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name hg1+ ) (resid 69 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 69 and name hg2+ ) (resid 69 and name ha ) 2.50 0.60 0.00 ! 10 assign (resid 69 and name hb ) (resid 69 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 69 and name ha ) (resid 70 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name ha ) (resid 72 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name hb ) (resid 69 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 69 and name hb ) (resid 70 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 69 and name ha ) (resid 86 and name hd1+ ) 5.50 3.60 0.00 ! 1 assign (resid 69 and name hg1+ ) (resid 70 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 69 and name hn ) (resid 69 and name hg1+ ) 4.41 2.51 0.00 ! 4 assign (resid 69 and name hg2+ ) (resid 69 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 69 and name hg2+ ) (resid 70 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 69 and name hg1+ ) (resid 70 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 69 and name hg1+ ) (resid 73 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name hg2+ ) (resid 86 and name hg2+ ) 2.81 0.91 0.00 ! 8 assign (resid 69 and name ha ) (resid 86 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 69 and name hg2+ ) (resid 87 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 69 and name hg2+ ) (resid 88 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 69 and name hg1+ ) (resid 88 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 69 and name hg2+ ) (resid 88 and name he+ ) 5.50 3.60 0.00 ! 2 assign (resid 69 and name hg1+ ) (resid 88 and name he+ ) 5.50 3.60 0.00 ! 2 assign (resid 69 and name hg1+ ) (resid 88 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name hg2+ ) (resid 88 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 69 and name hn ) (resid 69 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 69 and name ha ) (resid 72 and name hb+ ) 5.50 3.60 0.00 ! 1 assign (resid 69 and name ha ) (resid 72 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 69 and name hn ) (resid 70 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 70 and name ha ) (resid 70 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 70 and name hb+ ) (resid 70 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 70 and name hb+ ) (resid 71 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 70 and name hd2+ ) (resid 70 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 70 and name hd2+ ) (resid 70 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 70 and name hd2+ ) (resid 71 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 70 and name ha ) (resid 73 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 71 and name ha ) (resid 71 and name hd+ ) 5.50 3.60 0.00 ! 1 assign (resid 71 and name hn ) (resid 71 and name hb+ ) 2.50 0.60 0.00 ! 9 assign (resid 71 and name hb+ ) (resid 71 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 71 and name hd+ ) (resid 71 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 71 and name hd+ ) (resid 71 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 71 and name hd+ ) (resid 72 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 71 and name hd+ ) (resid 72 and name he+ ) 3.94 2.04 0.00 ! 5 assign (resid 71 and name hb+ ) (resid 72 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 71 and name hd+ ) (resid 75 and name hg++ ) 4.94 3.04 0.00 ! 3 assign (resid 71 and name he+ ) (resid 72 and name hd+ ) 4.94 3.04 0.00 ! 3 assign (resid 71 and name he+ ) (resid 72 and name he+ ) 3.52 1.62 0.00 ! 6 assign (resid 71 and name he+ ) (resid 75 and name hb ) 4.94 3.04 0.00 ! 3 assign (resid 71 and name he+ ) (resid 75 and name hg++ ) 2.81 0.91 0.00 ! 8 assign (resid 71 and name hn ) (resid 71 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 71 and name hn ) (resid 72 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 72 and name ha ) (resid 72 and name hd+ ) 3.15 1.25 0.00 ! 7 assign (resid 72 and name ha ) (resid 72 and name he+ ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name ha ) (resid 72 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 72 and name ha ) (resid 73 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name ha ) (resid 75 and name hg++ ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name ha ) (resid 75 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 72 and name ha ) (resid 75 and name hb ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name hd+ ) (resid 72 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 72 and name hn ) (resid 72 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 72 and name hb+ ) (resid 72 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 72 and name hb+ ) (resid 73 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 72 and name hb+ ) (resid 77 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 72 and name hb+ ) (resid 86 and name hb ) 3.94 2.04 0.00 ! 5 assign (resid 72 and name hb+ ) (resid 86 and name hd1+ ) 3.94 2.04 0.00 ! 5 assign (resid 72 and name hb+ ) (resid 86 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 72 and name hd+ ) (resid 75 and name hg++ ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name hd+ ) (resid 77 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 72 and name hd+ ) (resid 77 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 72 and name hd+ ) (resid 86 and name hd1+ ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name hd+ ) (resid 86 and name hg2+ ) 4.94 3.04 0.00 ! 3 assign (resid 72 and name he+ ) (resid 75 and name hg++ ) 3.52 1.62 0.00 ! 6 assign (resid 72 and name he+ ) (resid 77 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 72 and name he+ ) (resid 86 and name hd1+ ) 5.50 3.60 0.00 ! 2 assign (resid 73 and name hg2+ ) (resid 73 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 73 and name hn ) (resid 73 and name hb ) 3.15 1.25 0.00 ! 7 assign (resid 73 and name hb ) (resid 74 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 72 and name hn ) (resid 73 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 73 and name hg2+ ) (resid 74 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 73 and name hn ) (resid 73 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 73 and name hn ) (resid 73 and name hg2+ ) 3.94 2.04 0.00 ! 5 assign (resid 73 and name hn ) (resid 74 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 74 and name hb+ ) (resid 74 and name ha ) 2.50 0.60 0.00 ! 12 assign (resid 74 and name ha ) (resid 75 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 74 and name hn ) (resid 74 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 74 and name hb+ ) (resid 75 and name hg++ ) 3.15 1.25 0.00 ! 7 assign (resid 74 and name ha ) (resid 75 and name hg++ ) 5.50 3.60 0.00 ! 1 assign (resid 74 and name hb+ ) (resid 75 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 74 and name hn ) (resid 74 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 74 and name hn ) (resid 75 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 75 and name ha ) (resid 75 and name hb ) 3.15 1.25 0.00 ! 7 assign (resid 75 and name hb ) (resid 76 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 75 and name ha ) (resid 76 and name hn ) 2.50 0.60 0.00 ! 11 assign (resid 75 and name hg++ ) (resid 75 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 75 and name hg++ ) (resid 75 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 75 and name hg++ ) (resid 76 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 75 and name hn ) (resid 75 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 75 and name hn ) (resid 76 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 76 and name ha ) (resid 77 and name hd+ ) 2.50 0.60 0.00 ! 11 assign (resid 76 and name ha ) (resid 77 and name hg+ ) 3.52 1.62 0.00 ! 6 assign (resid 76 and name ha ) (resid 76 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 76 and name hn ) (resid 76 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 76 and name hn ) (resid 76 and name hb ) 2.50 0.60 0.00 ! 9 assign (resid 76 and name hn ) (resid 76 and name hg2+ ) 3.52 1.62 0.00 ! 6 assign (resid 76 and name hg2+ ) (resid 77 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 76 and name hb ) (resid 78 and name hg++ ) 4.41 2.51 0.00 ! 4 assign (resid 76 and name hg2+ ) (resid 78 and name hg++ ) 2.50 0.60 0.00 ! 9 assign (resid 76 and name hg2+ ) (resid 83 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 76 and name hg2+ ) (resid 83 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 77 and name hg+ ) (resid 85 and name ha ) 5.50 3.60 0.00 ! 2 assign (resid 78 and name ha ) (resid 78 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 78 and name hb ) (resid 79 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 78 and name hg++ ) (resid 79 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 78 and name hg++ ) (resid 79 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 78 and name hg++ ) (resid 80 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 78 and name hg++ ) (resid 81 and name ha+ ) 2.50 0.60 0.00 ! 9 assign (resid 78 and name ha ) (resid 82 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 78 and name hb ) (resid 82 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 78 and name hg++ ) (resid 82 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 78 and name hg++ ) (resid 83 and name hg1 ) 4.94 3.04 0.00 ! 3 assign (resid 78 and name hg++ ) (resid 82 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 78 and name hg++ ) (resid 83 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 79 and name hb+ ) (resid 79 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 79 and name hg ) (resid 79 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 79 and name hn ) (resid 79 and name hd++ ) 4.94 3.04 0.00 ! 3 assign (resid 79 and name hd++ ) (resid 79 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 79 and name ha ) (resid 80 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 79 and name ha ) (resid 80 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 79 and name hd++ ) (resid 80 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 79 and name hn ) (resid 84 and name hg2+ ) 4.41 2.51 0.00 ! 4 assign (resid 79 and name hn ) (resid 79 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 79 and name hn ) (resid 79 and name hb+ ) 3.94 2.04 0.00 ! 5 assign (resid 79 and name hn ) (resid 80 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 79 and name hn ) (resid 82 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 79 and name ha ) (resid 82 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 80 and name hn ) (resid 80 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 80 and name hn ) (resid 81 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 80 and name ha ) (resid 81 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 80 and name hd+ ) (resid 80 and name ha ) 5.50 3.60 0.00 ! 1 assign (resid 80 and name ha ) (resid 81 and name ha+ ) 5.50 3.60 0.00 ! 1 assign (resid 80 and name hn ) (resid 82 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 81 and name ha+ ) (resid 82 and name hn ) 3.15 1.25 0.00 ! 7 assign (resid 81 and name hn ) (resid 81 and name ha+ ) 2.50 0.60 0.00 ! 9 assign (resid 81 and name hn ) (resid 82 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 82 and name hg+ ) (resid 82 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 82 and name hg+ ) (resid 83 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 82 and name ha ) (resid 82 and name hb+ ) 2.50 0.60 0.00 ! 9 assign (resid 82 and name hb+ ) (resid 82 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 82 and name ha ) (resid 83 and name hd+ ) 2.50 0.60 0.00 ! 12 assign (resid 82 and name hn ) (resid 82 and name hb+ ) 3.52 1.62 0.00 ! 6 assign (resid 82 and name hn ) (resid 82 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 82 and name hb+ ) (resid 83 and name hd+ ) 4.41 2.51 0.00 ! 4 assign (resid 82 and name hn ) (resid 83 and name hd+ ) 4.94 3.04 0.00 ! 3 assign (resid 83 and name ha ) (resid 83 and name hb+ ) 2.50 0.60 0.00 ! 9 assign (resid 83 and name ha ) (resid 84 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 83 and name hb+ ) (resid 85 and name hd+ ) 5.50 3.60 0.00 ! 2 assign (resid 84 and name ha ) (resid 84 and name hb ) 3.15 1.25 0.00 ! 7 assign (resid 84 and name hb ) (resid 84 and name hd1+ ) 2.81 0.91 0.00 ! 8 assign (resid 84 and name ha ) (resid 85 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 84 and name hd1+ ) (resid 86 and name hd1+ ) 3.52 1.62 0.00 ! 6 assign (resid 84 and name hg2+ ) (resid 86 and name hd1+ ) 5.50 3.60 0.00 ! 1 assign (resid 85 and name ha ) (resid 85 and name hb+ ) 2.81 0.91 0.00 ! 8 assign (resid 85 and name hn ) (resid 85 and name hb+ ) 3.15 1.25 0.00 ! 7 assign (resid 85 and name hn ) (resid 85 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 85 and name ha ) (resid 86 and name hn ) 2.50 0.60 0.00 ! 11 assign (resid 85 and name hd+ ) (resid 86 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 85 and name hn ) (resid 85 and name hd+ ) 4.94 3.04 0.00 ! 3 assign (resid 85 and name hn ) (resid 86 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 86 and name ha ) (resid 86 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 86 and name hn ) (resid 86 and name hb ) 4.41 2.51 0.00 ! 4 assign (resid 86 and name ha ) (resid 87 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 86 and name hg1+ ) (resid 86 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 86 and name hg1+ ) (resid 86 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 86 and name hd1+ ) (resid 86 and name hb ) 3.52 1.62 0.00 ! 6 assign (resid 86 and name hd1+ ) (resid 86 and name hg2+ ) 2.50 0.60 0.00 ! 10 assign (resid 86 and name hd1+ ) (resid 86 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 86 and name hg2+ ) (resid 86 and name ha ) 3.52 1.62 0.00 ! 6 assign (resid 87 and name hb+ ) (resid 87 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 87 and name ha ) (resid 88 and name hn ) 2.50 0.60 0.00 ! 9 assign (resid 87 and name hn ) (resid 88 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 88 and name hb2 ) (resid 88 and name hn ) 2.81 0.91 0.00 ! 8 assign (resid 88 and name hd+ ) (resid 88 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 88 and name hb1 ) (resid 89 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 88 and name hd+ ) (resid 89 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 89 and name hb+ ) (resid 89 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 91 and name hb+ ) (resid 91 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 91 and name hd2 ) (resid 91 and name hb+ ) 4.41 2.51 0.00 ! 4 assign (resid 91 and name ha ) (resid 92 and name hg+ ) 5.50 3.60 0.00 ! 2 assign (resid 91 and name hb+ ) (resid 93 and name hn ) 4.41 2.51 0.00 ! 4 assign (resid 92 and name ha ) (resid 93 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 93 and name hn ) (resid 93 and name ha ) 4.94 3.04 0.00 ! 3 assign (resid 93 and name hg+ ) (resid 93 and name ha ) 2.81 0.91 0.00 ! 8 assign (resid 93 and name ha ) (resid 94 and name hn ) 2.50 0.60 0.00 ! 10 assign (resid 93 and name hn ) (resid 94 and name hn ) 4.94 3.04 0.00 ! 3 assign (resid 93 and name hb+ ) (resid 93 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 93 and name hb+ ) (resid 94 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 94 and name ha ) (resid 94 and name hd++ ) 2.50 0.60 0.00 ! 10 assign (resid 94 and name hn ) (resid 94 and name ha ) 3.94 2.04 0.00 ! 5 assign (resid 94 and name ha ) (resid 95 and name hn ) 3.52 1.62 0.00 ! 6 assign (resid 94 and name hb+ ) (resid 95 and name hn ) 5.50 3.60 0.00 ! 1 assign (resid 94 and name hd++ ) (resid 94 and name hb+ ) 2.50 0.60 0.00 ! 10 assign (resid 94 and name hd++ ) (resid 95 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 95 and name hb+ ) (resid 95 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 95 and name hn ) (resid 95 and name ha ) 4.41 2.51 0.00 ! 4 assign (resid 95 and name hg+ ) (resid 95 and name ha ) 3.15 1.25 0.00 ! 7 assign (resid 95 and name hb+ ) (resid 95 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 94 and name hn ) (resid 95 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 96 and name ha ) (resid 97 and name hn ) 3.94 2.04 0.00 ! 5 assign (resid 96 and name hg2+ ) (resid 96 and name ha ) 2.50 0.60 0.00 ! 9 assign (resid 96 and name hg2+ ) (resid 96 and name hn ) 5.50 3.60 0.00 ! 2 assign (resid 97 and name hb+ ) (resid 97 and name ha ) 2.50 0.60 0.00 ! 11 assign (resid 97 and name hb+ ) (resid 97 and name hn ) 4.41 2.51 0.00 ! 4
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