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 |
|
|
502755 |
2l2l   |
17138 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: ALL_noe.tbl ! Date: Thu Aug 19 16:34:57 EDT 2010 ! Path: /Users/dcwilljr/StructureCalc/P66a_MBD2/FINAL_OUTPUT/FIT/RCSB/CONSTRAINTS ! !@ BEGIN_XPLR_PCK_SUM !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! G136 ! S137 ! P138 assign (resid 138 and name HB# ) (resid 138 and name HD# ) 4.0 2.2 2.0 ! E.4 at 0.00e+00 assign (resid 138 and name HG# ) (resid 138 and name HA ) 4.0 2.2 2.0 ! E.19 at 0.00e+00 assign (resid 138 and name HA ) (resid 138 and name HD# ) 4.0 2.2 2.0 ! E.9 at 0.00e+00 assign (resid 138 and name HD# ) (resid 139 and name HN ) 3.5 1.7 0.5 ! H.3 at 0.00e+00 assign (resid 138 and name HA ) (resid 139 and name HN ) 4.0 2.2 1.0 ! H.5 at 0.00e+00 assign (resid 138 and name HA ) (resid 141 and name HB# ) 4.0 2.2 2.0 ! E.441 at 0.00e+00 assign (resid 138 and name HA ) (resid 141 and name HN ) 4.0 2.2 2.0 ! H.21 at 0.00e+00 ! E139 assign (resid 139 and name HG# ) (resid 139 and name HA ) 4.0 2.2 1.0 ! E.29 at 0.00e+00 assign (resid 139 and name HB# ) (resid 139 and name HN ) 2.5 0.7 0.4 ! H.7 at 0.00e+00 assign (resid 139 and name HG# ) (resid 139 and name HN ) 4.0 2.2 1.0 ! H.6 at 0.00e+00 assign (resid 139 and name HB# ) (resid 140 and name HN ) 4.0 2.2 1.0 ! H.13 at 0.00e+00 assign (resid 139 and name HN ) (resid 140 and name HN ) 3.5 1.7 0.5 ! H.2 at 0.00e+00 ! E140 assign (resid 140 and name HA ) (resid 140 and name HG# ) 4.0 2.2 1.0 ! E.40 at 0.00e+00 assign (resid 140 and name HG# ) (resid 140 and name HN ) 3.5 1.7 0.5 ! H.14 at 0.00e+00 assign (resid 140 and name HB# ) (resid 140 and name HN ) 2.5 0.7 0.4 ! H.12 at 0.00e+00 assign (resid 140 and name HG# ) (resid 141 and name HN ) 4.0 2.2 1.0 ! H.19 at 0.00e+00 assign (resid 140 and name HB# ) (resid 141 and name HN ) 3.5 1.7 0.5 ! H.20 at 0.00e+00 assign (resid 140 and name HN ) (resid 141 and name HN ) 3.5 1.7 0.5 ! H.10 at 0.00e+00 assign (resid 140 and name HA ) (resid 143 and name HD# ) 4.0 2.2 2.0 ! E.67 at 0.00e+00 ! R141 assign (resid 141 and name HB# ) (resid 141 and name HD# ) 4.0 2.2 1.0 ! E.52 at 0.00e+00 assign (resid 141 and name HG# ) (resid 141 and name HA ) 4.0 2.2 1.0 ! E.65 at 0.00e+00 assign (resid 141 and name HB# ) (resid 141 and name HN ) 2.5 0.7 0.4 ! H.18 at 0.00e+00 assign (resid 141 and name HG# ) (resid 141 and name HN ) 4.0 2.2 2.0 ! H.16 at 0.00e+00 assign (resid 141 and name HD# ) (resid 141 and name HN ) 4.0 2.2 2.0 ! H.15 at 0.00e+00 assign (resid 141 and name HB# ) (resid 142 and name HN ) 3.5 1.7 0.5 ! H.25 at 0.00e+00 assign (resid 141 and name HG# ) (resid 142 and name HN ) 4.0 2.2 2.0 ! H.22 at 0.00e+00 assign (resid 141 and name HA ) (resid 144 and name HB# ) 4.0 2.2 1.0 ! E.74 at 0.00e+00 assign (resid 141 and name HA ) (resid 144 and name HE# ) 4.0 2.2 1.5 ! E.78 at 0.00e+00 assign (resid 141 and name HA ) (resid 144 and name HN ) 4.0 2.2 1.0 ! H.309 at 0.00e+00 assign (resid 141 and name HA ) (resid 145 and name HG1# ) 4.0 2.2 1.0 ! E.26 at 0.00e+00 ! E142 assign (resid 142 and name HG# ) (resid 142 and name HN ) 4.0 2.2 1.0 ! H.26 at 0.00e+00 assign (resid 142 and name HB# ) (resid 142 and name HN ) 2.5 0.7 0.4 ! H.24 at 0.00e+00 assign (resid 142 and name HN ) (resid 143 and name HN ) 3.5 1.7 0.5 ! H.29 at 0.00e+00 assign (resid 142 and name HG# ) (resid 143 and name HN ) 4.0 2.2 1.0 ! H.39 at 0.00e+00 assign (resid 142 and name HB# ) (resid 143 and name HN ) 3.5 1.7 0.5 ! H.38 at 0.00e+00 assign (resid 142 and name HA ) (resid 145 and name HG2# ) 4.0 2.2 1.5 ! E.116 at 0.00e+00 assign (resid 142 and name HA ) (resid 145 and name HB ) 4.0 2.2 1.0 ! E.96 at 0.00e+00 assign (resid 142 and name HA ) (resid 145 and name HN ) 4.0 2.2 1.0 ! H.53 at 0.00e+00 ! R143 assign (resid 143 and name HG# ) (resid 143 and name HN ) 4.0 2.2 1.0 ! H.40 at 0.00e+00 assign (resid 143 and name HB# ) (resid 143 and name HN ) 2.5 0.7 0.4 ! H.37 at 0.00e+00 assign (resid 143 and name HA ) (resid 144 and name HN ) 4.0 2.2 1.0 ! H.310 at 0.00e+00 assign (resid 143 and name HB# ) (resid 144 and name HN ) 3.5 1.7 0.5 ! H.42 at 0.00e+00 assign (resid 143 and name HN ) (resid 144 and name HN ) 3.5 1.7 0.5 ! H.35 at 0.00e+00 assign (resid 143 and name HN ) (resid 145 and name HN ) 4.0 2.2 2.0 ! H.32 at 0.00e+00 assign (resid 143 and name HG# ) (resid 146 and name HG# ) 4.0 2.2 1.0 ! E.62 at 0.00e+00 ! M144 assign (resid 144 and name HG# ) (resid 144 and name HA ) 4.0 2.2 2.0 ! E.85 at 0.00e+00 assign (resid 144 and name HE# ) (resid 144 and name HA ) 4.0 2.2 1.5 ! E.77 at 0.00e+00 assign (resid 144 and name HG# ) (resid 144 and name HN ) 4.0 2.2 2.0 ! H.44 at 0.00e+00 assign (resid 144 and name HB# ) (resid 144 and name HN ) 2.5 0.7 0.4 ! H.43 at 0.00e+00 assign (resid 144 and name HE# ) (resid 145 and name HN ) 4.0 2.2 2.5 ! H.59 at 0.00e+00 assign (resid 144 and name HN ) (resid 145 and name HN ) 3.5 1.7 0.5 ! H.48 at 0.00e+00 assign (resid 144 and name HB# ) (resid 145 and name HN ) 4.0 2.2 1.0 ! H.60 at 0.00e+00 assign (resid 144 and name HN ) (resid 145 and name HD1# ) 4.0 2.2 2.5 ! H.41 at 0.00e+00 assign (resid 144 and name HA ) (resid 147 and name HB# ) 4.0 2.2 1.0 ! E.442 at 0.00e+00 assign (resid 144 and name HA ) (resid 147 and name HN ) 4.0 2.2 1.0 ! H.72 at 0.00e+00 assign (resid 144 and name HG# ) (resid 148 and name HD* ) 4.0 2.2 2.5 ! E.88 at 0.00e+00 assign (resid 144 and name HE# ) (resid 148 and name HD* ) 4.0 2.2 2.0 ! E.82 at 0.00e+00 assign (resid 144 and name HE# ) (resid 234 and name HD* ) 4.0 2.2 2.0 ! D.14 at 0.00e+00 assign (resid 144 and name HE# ) (resid 237 and name HB# ) 4.0 2.2 2.0 ! C.99 at 0.00e+00 assign (resid 144 and name HB# ) (resid 237 and name HB# ) 4.0 2.2 1.5 ! D.15 at 0.00e+00 ! I145 assign (resid 145 and name HG1# ) (resid 145 and name HA ) 4.0 2.2 2.0 ! E.108 at 0.00e+00 assign (resid 145 and name HA ) (resid 145 and name HG2# ) 3.5 1.7 0.8 ! E.92 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 145 and name HA ) 4.0 2.2 1.5 ! E.104 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 145 and name HB ) 3.5 1.7 0.8 ! E.101 at 0.00e+00 assign (resid 145 and name HB ) (resid 145 and name HN ) 2.5 0.7 0.4 ! H.58 at 0.00e+00 assign (resid 145 and name HG1# ) (resid 145 and name HN ) 4.0 2.2 1.0 ! H.57 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 145 and name HN ) 3.5 1.7 1.0 ! H.56 at 0.00e+00 assign (resid 145 and name HN ) (resid 146 and name HN ) 3.5 1.7 0.5 ! H.67 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 146 and name HN ) 4.0 2.2 1.5 ! H.61 at 0.00e+00 assign (resid 145 and name HA ) (resid 146 and name HN ) 4.0 2.2 2.0 ! H.73 at 0.00e+00 assign (resid 145 and name HA ) (resid 148 and name HD* ) 3.5 1.7 0.8 ! E.91 at 0.00e+00 assign (resid 145 and name HA ) (resid 148 and name HN ) 4.0 2.2 2.0 ! H.82 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 149 and name HD# ) 4.0 2.2 1.5 ! E.119 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 149 and name HE# ) 4.0 2.2 1.5 ! E.115 at 0.00e+00 assign (resid 145 and name HA ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! C.69 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 234 and name HD* ) 2.5 0.7 1.2 ! D.1 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 234 and name HD* ) 2.5 0.7 1.2 ! D.3 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 237 and name HB# ) 3.5 1.7 1.3 ! D.4 at 0.00e+00 assign (resid 145 and name HG1# ) (resid 237 and name HB# ) 4.0 2.2 1.5 ! C.82 at 0.00e+00 assign (resid 145 and name HA ) (resid 237 and name HB# ) 4.0 2.2 1.5 ! F.397 at 0.00e+00 assign (resid 145 and name HB ) (resid 237 and name HB# ) 4.0 2.2 1.5 ! C.96 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 237 and name HA ) 4.0 2.2 1.5 ! C.79 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 237 and name HB# ) 4.0 2.2 2.0 ! D.2 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 238 and name HA ) 4.0 2.2 1.5 ! C.85 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 238 and name HD* ) 3.5 1.7 1.3 ! C.87 at 0.00e+00 assign (resid 145 and name HG1# ) (resid 238 and name HD* ) 3.5 1.7 0.8 ! C.88 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 238 and name HD* ) 2.5 0.7 1.2 ! C.86 at 0.00e+00 assign (resid 145 and name HG2# ) (resid 238 and name HA ) 4.0 2.2 1.5 ! D.123 at 0.00e+00 assign (resid 145 and name HD1# ) (resid 238 and name HG ) 4.0 2.2 1.5 ! D.9 at 0.00e+00 ! K146 assign (resid 146 and name HG# ) (resid 146 and name HA ) 4.0 2.2 2.0 ! E.131 at 0.00e+00 assign (resid 146 and name HG# ) (resid 146 and name HE# ) 4.0 2.2 2.0 ! E.130 at 0.00e+00 assign (resid 146 and name HG# ) (resid 146 and name HN ) 3.5 1.7 0.5 ! H.63 at 0.00e+00 assign (resid 146 and name HB# ) (resid 146 and name HN ) 2.5 0.7 0.4 ! H.65 at 0.00e+00 ! Q147 assign (resid 147 and name HG# ) (resid 147 and name HA ) 4.0 2.2 1.0 ! E.140 at 0.00e+00 assign (resid 147 and name HB# ) (resid 147 and name HN ) 2.5 0.7 0.4 ! H.64 at 0.00e+00 assign (resid 147 and name HG# ) (resid 147 and name HN ) 4.0 2.2 1.0 ! H.66 at 0.00e+00 assign (resid 147 and name HA ) (resid 148 and name HD* ) 4.0 2.2 1.5 ! E.163 at 0.00e+00 assign (resid 147 and name HB# ) (resid 148 and name HD* ) 4.0 2.2 1.5 ! E.152 at 0.00e+00 assign (resid 147 and name HN ) (resid 148 and name HN ) 3.5 1.7 0.5 ! H.68 at 0.00e+00 assign (resid 147 and name HN ) (resid 149 and name HN ) 4.0 2.2 2.0 ! H.69 at 0.00e+00 assign (resid 147 and name HA ) (resid 150 and name HB# ) 3.5 1.7 0.3 ! E.43 at 0.00e+00 assign (resid 147 and name HA ) (resid 150 and name HG# ) 4.0 2.2 2.0 ! E.185 at 0.00e+00 ! L148 assign (resid 148 and name HG ) (resid 148 and name HA ) 4.0 2.2 2.0 ! E.165 at 0.00e+00 assign (resid 148 and name HD* ) (resid 148 and name HB# ) 4.0 2.2 2.5 ! E.158 at 0.00e+00 assign (resid 148 and name HD* ) (resid 148 and name HA ) 4.0 2.2 1.5 ! E.164 at 0.00e+00 assign (resid 148 and name HD* ) (resid 148 and name HN ) 4.0 2.2 1.5 ! H.77 at 0.00e+00 assign (resid 148 and name HG ) (resid 148 and name HN ) 4.0 2.2 1.5 ! 3.5 at 1.70e+00 assign (resid 148 and name HB# ) (resid 148 and name HN ) 4.0 2.2 1.0 ! H.79 at 0.00e+00 assign (resid 148 and name HN ) (resid 149 and name HN ) 4.0 2.2 1.0 ! H.94 at 0.00e+00 assign (resid 148 and name HA ) (resid 151 and name HB# ) 4.0 2.2 1.0 ! E.144 at 0.00e+00 assign (resid 148 and name HA ) (resid 151 and name HN ) 4.0 2.2 1.0 ! H.311 at 0.00e+00 assign (resid 148 and name HB# ) (resid 230 and name HG* ) 3.5 1.7 0.8 ! F.71 at 0.00e+00 assign (resid 148 and name HD* ) (resid 230 and name HA ) 4.0 2.2 1.5 ! D.20 at 0.00e+00 assign (resid 148 and name HD* ) (resid 233 and name HB# ) 4.0 2.2 1.5 ! D.119 at 0.00e+00 assign (resid 148 and name HD* ) (resid 233 and name HD# ) 4.0 2.2 1.5 ! D.120 at 0.00e+00 assign (resid 148 and name HD* ) (resid 233 and name HE# ) 4.0 2.2 1.5 ! D.19 at 0.00e+00 assign (resid 148 and name HB# ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! D.17 at 0.00e+00 assign (resid 148 and name HD* ) (resid 234 and name HA ) 4.0 2.2 1.5 ! D.23 at 0.00e+00 assign (resid 148 and name HA ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! C.71 at 0.00e+00 assign (resid 148 and name HD* ) (resid 234 and name HD* ) 3.5 1.7 1.3 ! D.28 at 0.00e+00 assign (resid 148 and name HD* ) (resid 237 and name HB# ) 4.0 2.2 2.0 ! D.25 at 0.00e+00 ! K149 assign (resid 149 and name HD# ) (resid 149 and name HA ) 4.0 2.2 1.0 ! E.168 at 0.00e+00 assign (resid 149 and name HG# ) (resid 149 and name HA ) 4.0 2.2 1.0 ! E.176 at 0.00e+00 assign (resid 149 and name HE# ) (resid 149 and name HG# ) 4.0 2.2 1.0 ! E.170 at 0.00e+00 assign (resid 149 and name HD# ) (resid 149 and name HN ) 4.0 2.2 1.0 ! H.91 at 0.00e+00 assign (resid 149 and name HG# ) (resid 149 and name HN ) 4.0 2.2 2.0 ! H.89 at 0.00e+00 assign (resid 149 and name HB# ) (resid 149 and name HN ) 3.5 1.7 0.5 ! H.90 at 0.00e+00 assign (resid 149 and name HN ) (resid 150 and name HN ) 4.0 2.2 1.0 ! H.93 at 0.00e+00 assign (resid 149 and name HG# ) (resid 150 and name HN ) 4.0 2.2 2.0 ! H.97 at 0.00e+00 assign (resid 149 and name HA ) (resid 150 and name HN ) 4.0 2.2 1.0 ! H.101 at 0.00e+00 assign (resid 149 and name HG# ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! D.33 at 0.00e+00 assign (resid 149 and name HE# ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! C.72 at 0.00e+00 assign (resid 149 and name HA ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! C.70 at 0.00e+00 assign (resid 149 and name HB# ) (resid 234 and name HD* ) 3.5 1.7 0.8 ! C.75 at 0.00e+00 assign (resid 149 and name HN ) (resid 234 and name HD* ) 4.0 2.2 1.5 ! H.88 at 0.00e+00 assign (resid 149 and name HG# ) (resid 234 and name HD2# ) 4.0 2.2 1.5 ! D.122 at 0.00e+00 assign (resid 149 and name HD# ) (resid 234 and name HD* ) 3.5 1.7 0.8 ! D.32 at 0.00e+00 ! E150 assign (resid 150 and name HA ) (resid 150 and name HG# ) 4.0 2.2 1.0 ! E.180 at 0.00e+00 assign (resid 150 and name HG# ) (resid 150 and name HN ) 3.5 1.7 0.5 ! H.96 at 0.00e+00 assign (resid 150 and name HA ) (resid 151 and name HN ) 4.0 2.2 2.0 ! H.86 at 0.00e+00 assign (resid 150 and name HN ) (resid 151 and name HN ) 2.5 0.7 0.4 ! H.98 at 0.00e+00 assign (resid 150 and name HA ) (resid 153 and name HB# ) 4.0 2.2 2.0 ! E.444 at 0.00e+00 assign (resid 150 and name HA ) (resid 153 and name HN ) 4.0 2.2 1.0 ! H.124 at 0.00e+00 assign (resid 150 and name HG# ) (resid 154 and name HD* ) 4.0 2.2 1.5 ! E.182 at 0.00e+00 ! E151 assign (resid 151 and name HG# ) (resid 151 and name HA ) 4.0 2.2 2.0 ! E.192 at 0.00e+00 assign (resid 151 and name HB# ) (resid 151 and name HN ) 2.5 0.7 0.4 ! H.81 at 0.00e+00 assign (resid 151 and name HG# ) (resid 151 and name HN ) 4.0 2.2 1.0 ! H.84 at 0.00e+00 assign (resid 151 and name HN ) (resid 152 and name HN ) 4.0 2.2 1.0 ! H.105 at 0.00e+00 assign (resid 151 and name HB# ) (resid 152 and name HN ) 3.5 1.7 0.5 ! H.111 at 0.00e+00 assign (resid 151 and name HB# ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! D.37 at 0.00e+00 assign (resid 151 and name HG# ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! D.36 at 0.00e+00 ! L152 assign (resid 152 and name HD* ) (resid 152 and name HA ) 4.0 2.2 1.5 ! E.204 at 0.00e+00 assign (resid 152 and name HD* ) (resid 152 and name HB# ) 4.0 2.2 1.5 ! E.202 at 0.00e+00 assign (resid 152 and name HD* ) (resid 152 and name HN ) 3.5 1.7 1.0 ! H.112 at 0.00e+00 assign (resid 152 and name HB# ) (resid 152 and name HN ) 4.0 2.2 1.0 ! H.110 at 0.00e+00 assign (resid 152 and name HN ) (resid 153 and name HN ) 3.5 1.7 0.5 ! H.123 at 0.00e+00 assign (resid 152 and name HB# ) (resid 153 and name HN ) 4.0 2.2 2.0 ! H.128 at 0.00e+00 assign (resid 152 and name HD* ) (resid 153 and name HN ) 4.0 2.2 1.5 ! H.127 at 0.00e+00 assign (resid 152 and name HA ) (resid 153 and name HN ) 4.0 2.2 1.0 ! H.126 at 0.00e+00 assign (resid 152 and name HB# ) (resid 227 and name HG1# ) 4.0 2.2 1.5 ! F.255 at 0.00e+00 assign (resid 152 and name HD* ) (resid 227 and name HA ) 4.0 2.2 1.5 ! D.42 at 0.00e+00 assign (resid 152 and name HD* ) (resid 227 and name HG1# ) 2.5 0.7 1.2 ! D.41 at 0.00e+00 assign (resid 152 and name HA ) (resid 230 and name HG* ) 3.5 1.7 0.8 ! D.38 at 0.00e+00 assign (resid 152 and name HB# ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! D.40 at 0.00e+00 assign (resid 152 and name HD* ) (resid 230 and name HG* ) 3.5 1.7 1.3 ! C.15 at 0.00e+00 assign (resid 152 and name HN ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! C.17 at 0.00e+00 assign (resid 152 and name HD* ) (resid 230 and name HB ) 4.0 2.2 1.5 ! D.44 at 0.00e+00 assign (resid 152 and name HD* ) (resid 231 and name HA ) 4.0 2.2 1.5 ! D.43 at 0.00e+00 assign (resid 152 and name HD* ) (resid 231 and name HD# ) 4.0 2.2 1.5 ! C.91 at 0.00e+00 assign (resid 152 and name HD* ) (resid 231 and name HG# ) 4.0 2.2 1.5 ! D.47 at 0.00e+00 assign (resid 152 and name HD* ) (resid 231 and name HB# ) 3.5 1.7 0.8 ! D.45 at 0.00e+00 ! R153 assign (resid 153 and name HB# ) (resid 154 and name HG ) 4.0 2.2 1.0 ! E.210 at 0.00e+00 assign (resid 153 and name HD# ) (resid 154 and name HG ) 4.0 2.2 1.5 ! 1.0 at 0.00e+00 assign (resid 153 and name HN ) (resid 154 and name HN ) 4.0 2.2 1.0 ! H.122 at 0.00e+00 assign (resid 153 and name HN ) (resid 154 and name HG ) 4.0 2.2 1.0 ! H.129 at 0.00e+00 assign (resid 153 and name HA ) (resid 156 and name HN ) 4.0 2.2 1.0 ! H.147 at 0.00e+00 ! L154 assign (resid 154 and name HD* ) (resid 154 and name HB# ) 3.5 1.7 0.8 ! E.226 at 0.00e+00 assign (resid 154 and name HD* ) (resid 154 and name HA ) 3.5 1.7 0.8 ! E.225 at 0.00e+00 assign (resid 154 and name HG ) (resid 154 and name HN ) 3.5 1.7 0.5 ! H.141 at 0.00e+00 assign (resid 154 and name HB# ) (resid 154 and name HN ) 3.5 1.7 0.5 ! H.138 at 0.00e+00 assign (resid 154 and name HD* ) (resid 154 and name HN ) 4.0 2.2 1.5 ! H.132 at 0.00e+00 assign (resid 154 and name HN ) (resid 155 and name HN ) 4.0 2.2 1.0 ! H.121 at 0.00e+00 assign (resid 154 and name HB# ) (resid 155 and name HN ) 4.0 2.2 1.0 ! H.119 at 0.00e+00 assign (resid 154 and name HD* ) (resid 158 and name HG# ) 4.0 2.2 1.5 ! E.312 at 0.00e+00 ! E155 assign (resid 155 and name HG# ) (resid 155 and name HN ) 4.0 2.2 1.0 ! H.113 at 0.00e+00 assign (resid 155 and name HA ) (resid 156 and name HN ) 4.0 2.2 2.0 ! H.304 at 0.00e+00 assign (resid 155 and name HN ) (resid 156 and name HN ) 4.0 2.2 1.0 ! H.120 at 0.00e+00 assign (resid 155 and name HG# ) (resid 156 and name HN ) 4.0 2.2 2.0 ! H.155 at 0.00e+00 assign (resid 155 and name HA ) (resid 158 and name HB# ) 4.0 2.2 2.0 ! E.127 at 0.00e+00 assign (resid 155 and name HG# ) (resid 158 and name HB# ) 4.0 2.2 2.0 ! E.236 at 0.00e+00 assign (resid 155 and name HA ) (resid 158 and name HN ) 4.0 2.2 2.0 ! H.169 at 0.00e+00 assign (resid 155 and name HG# ) (resid 159 and name HN ) 4.0 2.2 2.0 ! H.185 at 0.00e+00 assign (resid 155 and name HB# ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! D.62 at 0.00e+00 assign (resid 155 and name HG# ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! D.61 at 0.00e+00 assign (resid 155 and name HG# ) (resid 227 and name HG1# ) 4.0 2.2 1.5 ! C.41 at 0.00e+00 assign (resid 155 and name HG# ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! C.14 at 0.00e+00 ! E156 assign (resid 156 and name HG# ) (resid 156 and name HA ) 4.0 2.2 2.0 ! E.246 at 0.00e+00 assign (resid 156 and name HG# ) (resid 156 and name HN ) 4.0 2.2 1.0 ! H.154 at 0.00e+00 assign (resid 156 and name HB# ) (resid 156 and name HN ) 3.5 1.7 0.5 ! H.153 at 0.00e+00 assign (resid 156 and name HB# ) (resid 157 and name HB# ) 4.0 2.2 1.5 ! E.253 at 0.00e+00 assign (resid 156 and name HB# ) (resid 157 and name HN ) 4.0 2.2 1.0 ! H.160 at 0.00e+00 assign (resid 156 and name HN ) (resid 157 and name HN ) 4.0 2.2 1.0 ! H.142 at 0.00e+00 assign (resid 156 and name HG# ) (resid 157 and name HN ) 4.0 2.2 2.0 ! H.161 at 0.00e+00 assign (resid 156 and name HN ) (resid 157 and name HB# ) 4.0 2.2 1.5 ! H.151 at 0.00e+00 assign (resid 156 and name HN ) (resid 158 and name HN ) 4.0 2.2 2.0 ! H.165 at 0.00e+00 assign (resid 156 and name HA ) (resid 159 and name HD* ) 3.5 1.7 0.8 ! E.267 at 0.00e+00 assign (resid 156 and name HA ) (resid 159 and name HB# ) 4.0 2.2 2.0 ! E.265 at 0.00e+00 assign (resid 156 and name HG# ) (resid 159 and name HD* ) 4.0 2.2 2.5 ! E.242 at 0.00e+00 assign (resid 156 and name HA ) (resid 159 and name HN ) 4.0 2.2 1.0 ! H.189 at 0.00e+00 assign (resid 156 and name HA ) (resid 227 and name HG2# ) 3.5 1.7 0.8 ! D.66 at 0.00e+00 assign (resid 156 and name HG# ) (resid 227 and name HG1# ) 4.0 2.2 1.5 ! D.69 at 0.00e+00 assign (resid 156 and name HB# ) (resid 227 and name HG1# ) 4.0 2.2 1.5 ! C.43 at 0.00e+00 assign (resid 156 and name HN ) (resid 227 and name HG1# ) 4.0 2.2 1.5 ! H.149 at 0.00e+00 assign (resid 156 and name HN ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! H.150 at 0.00e+00 assign (resid 156 and name HA ) (resid 227 and name HG1# ) 3.5 1.7 0.8 ! D.67 at 0.00e+00 assign (resid 156 and name HA ) (resid 227 and name HB ) 4.0 2.2 1.5 ! 1.0 at 0.00e+00 assign (resid 156 and name HG# ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! D.71 at 0.00e+00 ! A157 assign (resid 157 and name HB# ) (resid 157 and name HN ) 2.5 0.7 0.9 ! H.158 at 0.00e+00 assign (resid 157 and name HN ) (resid 158 and name HN ) 4.0 2.2 1.0 ! H.168 at 0.00e+00 assign (resid 157 and name HB# ) (resid 158 and name HN ) 3.5 1.7 1.0 ! H.174 at 0.00e+00 assign (resid 157 and name HA ) (resid 160 and name HB ) 4.0 2.2 1.0 ! E.250 at 0.00e+00 assign (resid 157 and name HA ) (resid 160 and name HG2# ) 4.0 2.2 1.5 ! E.247 at 0.00e+00 assign (resid 157 and name HB# ) (resid 160 and name HG2# ) 4.0 2.2 3.0 ! E.255 at 0.00e+00 assign (resid 157 and name HB# ) (resid 160 and name HB ) 4.0 2.2 2.5 ! E.252 at 0.00e+00 assign (resid 157 and name HA ) (resid 160 and name HG1# ) 4.0 2.2 2.5 ! E.248 at 0.00e+00 assign (resid 157 and name HA ) (resid 160 and name HN ) 4.0 2.2 2.0 ! H.193 at 0.00e+00 assign (resid 157 and name HB# ) (resid 161 and name HD* ) 4.0 2.2 2.0 ! E.254 at 0.00e+00 ! K158 assign (resid 158 and name HG# ) (resid 158 and name HA ) 4.0 2.2 2.0 ! E.360 at 0.00e+00 assign (resid 158 and name HB# ) (resid 158 and name HN ) 2.5 0.7 0.4 ! H.173 at 0.00e+00 assign (resid 158 and name HN ) (resid 159 and name HN ) 3.5 1.7 0.5 ! H.182 at 0.00e+00 assign (resid 158 and name HB# ) (resid 159 and name HN ) 4.0 2.2 1.0 ! H.188 at 0.00e+00 ! L159 assign (resid 159 and name HG ) (resid 159 and name HA ) 4.0 2.2 1.0 ! E.281 at 0.00e+00 assign (resid 159 and name HD* ) (resid 159 and name HA ) 4.0 2.2 1.5 ! E.275 at 0.00e+00 assign (resid 159 and name HD* ) (resid 159 and name HB# ) 4.0 2.2 1.5 ! E.269 at 0.00e+00 assign (resid 159 and name HB# ) (resid 159 and name HN ) 4.0 2.2 1.0 ! H.186 at 0.00e+00 assign (resid 159 and name HD* ) (resid 159 and name HN ) 4.0 2.2 1.5 ! H.183 at 0.00e+00 assign (resid 159 and name HD* ) (resid 160 and name HB ) 4.0 2.2 1.5 ! E.270 at 0.00e+00 assign (resid 159 and name HN ) (resid 160 and name HN ) 3.5 1.7 0.5 ! H.191 at 0.00e+00 assign (resid 159 and name HB# ) (resid 160 and name HN ) 4.0 2.2 2.0 ! H.199 at 0.00e+00 assign (resid 159 and name HD* ) (resid 162 and name HB# ) 4.0 2.2 2.5 ! E.273 at 0.00e+00 assign (resid 159 and name HB# ) (resid 162 and name HB# ) 4.0 2.2 2.0 ! E.264 at 0.00e+00 assign (resid 159 and name HN ) (resid 162 and name HB# ) 4.0 2.2 1.0 ! H.187 at 0.00e+00 assign (resid 159 and name HD* ) (resid 163 and name HN ) 4.0 2.2 2.5 ! H.220 at 0.00e+00 assign (resid 159 and name HD* ) (resid 220 and name HA ) 4.0 2.2 1.5 ! D.86 at 0.00e+00 assign (resid 159 and name HD* ) (resid 220 and name HG2# ) 4.0 2.2 2.0 ! D.82 at 0.00e+00 assign (resid 159 and name HD* ) (resid 223 and name HB# ) 4.0 2.2 1.5 ! D.83 at 0.00e+00 assign (resid 159 and name HD* ) (resid 223 and name HG# ) 4.0 2.2 1.5 ! C.30 at 0.00e+00 assign (resid 159 and name HD* ) (resid 224 and name HA ) 4.0 2.2 1.5 ! D.87 at 0.00e+00 assign (resid 159 and name HD* ) (resid 224 and name HG# ) 4.0 2.2 1.5 ! C.34 at 0.00e+00 assign (resid 159 and name HB# ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! D.77 at 0.00e+00 assign (resid 159 and name HG ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! F.268 at 0.00e+00 assign (resid 159 and name HD* ) (resid 227 and name HG2# ) 3.5 1.7 1.3 ! D.89 at 0.00e+00 assign (resid 159 and name HG ) (resid 227 and name HG1# ) 4.0 2.2 2.0 ! 1.5 at 0.00e+00 ! V160 assign (resid 160 and name HA ) (resid 160 and name HG2# ) 3.5 1.7 0.8 ! E.285 at 0.00e+00 assign (resid 160 and name HA ) (resid 160 and name HG1# ) 4.0 2.2 1.5 ! E.286 at 0.00e+00 assign (resid 160 and name HB ) (resid 160 and name HN ) 3.5 1.7 0.5 ! H.198 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 160 and name HN ) 4.0 2.2 1.5 ! H.194 at 0.00e+00 assign (resid 160 and name HG2# ) (resid 160 and name HN ) 2.5 0.7 0.9 ! H.195 at 0.00e+00 assign (resid 160 and name HB ) (resid 161 and name HD* ) 4.0 2.2 1.5 ! E.311 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 161 and name HA ) 4.0 2.2 1.5 ! E.291 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 161 and name HN ) 3.5 1.7 1.0 ! H.95 at 0.00e+00 assign (resid 160 and name HA ) (resid 161 and name HN ) 4.0 2.2 2.0 ! H.205 at 0.00e+00 assign (resid 160 and name HN ) (resid 161 and name HN ) 3.5 1.7 0.5 ! H.206 at 0.00e+00 assign (resid 160 and name HG2# ) (resid 161 and name HN ) 4.0 2.2 1.5 ! H.201 at 0.00e+00 assign (resid 160 and name HN ) (resid 162 and name HB# ) 4.0 2.2 2.0 ! H.196 at 0.00e+00 assign (resid 160 and name HA ) (resid 163 and name HD# ) 4.0 2.2 2.0 ! E.284 at 0.00e+00 assign (resid 160 and name HA ) (resid 163 and name HN ) 4.0 2.2 2.0 ! H.312 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 164 and name HB# ) 4.0 2.2 1.5 ! E.295 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 164 and name HE# ) 4.0 2.2 1.5 ! E.293 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 164 and name HD# ) 3.5 1.7 0.8 ! E.297 at 0.00e+00 assign (resid 160 and name HG1# ) (resid 164 and name HN ) 4.0 2.2 2.5 ! H.230 at 0.00e+00 ! L161 assign (resid 161 and name HD* ) (resid 161 and name HB# ) 3.5 1.7 0.8 ! E.228 at 0.00e+00 assign (resid 161 and name HA ) (resid 161 and name HG ) 3.5 1.7 0.3 ! E.214 at 0.00e+00 assign (resid 161 and name HB# ) (resid 161 and name HN ) 3.5 1.7 0.5 ! H.202 at 0.00e+00 assign (resid 161 and name HN ) (resid 162 and name HN ) 4.0 2.2 1.0 ! H.209 at 0.00e+00 assign (resid 161 and name HA ) (resid 162 and name HN ) 4.0 2.2 1.0 ! H.211 at 0.00e+00 assign (resid 161 and name HN ) (resid 163 and name HN ) 4.0 2.2 2.0 ! H.208 at 0.00e+00 assign (resid 161 and name HA ) (resid 164 and name HB# ) 3.5 1.7 0.3 ! E.215 at 0.00e+00 ! L162 assign (resid 162 and name HG ) (resid 162 and name HA ) 4.0 2.2 2.0 ! E.342 at 0.00e+00 assign (resid 162 and name HD* ) (resid 162 and name HB# ) 4.0 2.2 1.5 ! E.332 at 0.00e+00 assign (resid 162 and name HD* ) (resid 162 and name HA ) 4.0 2.2 1.5 ! E.335 at 0.00e+00 assign (resid 162 and name HB# ) (resid 162 and name HN ) 4.0 2.2 1.0 ! H.214 at 0.00e+00 assign (resid 162 and name HD* ) (resid 162 and name HN ) 3.5 1.7 1.0 ! H.213 at 0.00e+00 assign (resid 162 and name HN ) (resid 163 and name HN ) 4.0 2.2 1.0 ! H.216 at 0.00e+00 assign (resid 162 and name HB# ) (resid 163 and name HN ) 4.0 2.2 1.0 ! H.223 at 0.00e+00 assign (resid 162 and name HD* ) (resid 163 and name HN ) 4.0 2.2 2.5 ! H.219 at 0.00e+00 assign (resid 162 and name HA ) (resid 163 and name HN ) 4.0 2.2 2.0 ! H.218 at 0.00e+00 assign (resid 162 and name HD* ) (resid 213 and name HE# ) 4.0 2.2 1.5 ! D.108 at 0.00e+00 assign (resid 162 and name HD* ) (resid 215 and name HG* ) 3.5 1.7 1.3 ! D.99 at 0.00e+00 assign (resid 162 and name HB# ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! D.96 at 0.00e+00 assign (resid 162 and name HD* ) (resid 215 and name HG2# ) 2.5 0.7 1.2 ! D.18 at 0.00e+00 assign (resid 162 and name HB# ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! D.97 at 0.00e+00 assign (resid 162 and name HD* ) (resid 220 and name HA ) 4.0 2.2 1.5 ! D.101 at 0.00e+00 assign (resid 162 and name HB# ) (resid 220 and name HG2# ) 4.0 2.2 1.5 ! C.28 at 0.00e+00 assign (resid 162 and name HD* ) (resid 220 and name HG2# ) 3.5 1.7 1.3 ! D.124 at 0.00e+00 assign (resid 162 and name HG ) (resid 220 and name HD1# ) 3.5 1.7 1.3 ! 0.8 at 0.00e+00 assign (resid 162 and name HD* ) (resid 220 and name HD1# ) 3.5 1.7 1.3 ! D.125 at 0.00e+00 assign (resid 162 and name HD* ) (resid 223 and name HG# ) 4.0 2.2 1.5 ! C.31 at 0.00e+00 assign (resid 162 and name HD* ) (resid 223 and name HB# ) 4.0 2.2 1.5 ! C.29 at 0.00e+00 ! K163 assign (resid 163 and name HB# ) (resid 163 and name HD# ) 2.5 0.7 0.2 ! E.256 at 0.00e+00 assign (resid 163 and name HD# ) (resid 163 and name HN ) 4.0 2.2 1.0 ! H.221 at 0.00e+00 assign (resid 163 and name HB# ) (resid 163 and name HN ) 3.5 1.7 0.5 ! H.222 at 0.00e+00 assign (resid 163 and name HD# ) (resid 164 and name HE# ) 4.0 2.2 1.0 ! E.348 at 0.00e+00 assign (resid 163 and name HG# ) (resid 220 and name HG2# ) 4.0 2.2 1.5 ! F.148 at 0.00e+00 assign (resid 163 and name HA ) (resid 220 and name HD1# ) 3.5 1.7 0.8 ! C.7 at 0.00e+00 ! K164 assign (resid 164 and name HD# ) (resid 164 and name HA ) 4.0 2.2 1.0 ! E.351 at 0.00e+00 assign (resid 164 and name HG# ) (resid 164 and name HA ) 4.0 2.2 1.0 ! E.355 at 0.00e+00 assign (resid 164 and name HE# ) (resid 164 and name HA ) 4.0 2.2 2.0 ! E.352 at 0.00e+00 assign (resid 164 and name HE# ) (resid 164 and name HB# ) 4.0 2.2 1.0 ! E.353 at 0.00e+00 assign (resid 164 and name HD# ) (resid 164 and name HN ) 4.0 2.2 1.0 ! H.228 at 0.00e+00 assign (resid 164 and name HG# ) (resid 164 and name HN ) 4.0 2.2 2.0 ! H.227 at 0.00e+00 assign (resid 164 and name HB# ) (resid 164 and name HN ) 2.5 0.7 0.4 ! H.229 at 0.00e+00 assign (resid 164 and name HN ) (resid 165 and name HN ) 3.5 1.7 0.5 ! H.224 at 0.00e+00 assign (resid 164 and name HB# ) (resid 165 and name HN ) 3.5 1.7 0.5 ! H.239 at 0.00e+00 assign (resid 164 and name HA ) (resid 165 and name HN ) 3.5 1.7 0.5 ! H.234 at 0.00e+00 assign (resid 164 and name HN ) (resid 167 and name HN ) 4.0 2.2 2.0 ! H.248 at 0.00e+00 ! L165 assign (resid 165 and name HB# ) (resid 165 and name HD* ) 4.0 2.2 1.5 ! E.361 at 0.00e+00 assign (resid 165 and name HA ) (resid 165 and name HD* ) 3.5 1.7 0.8 ! E.431 at 0.00e+00 assign (resid 165 and name HB# ) (resid 165 and name HN ) 3.5 1.7 0.5 ! H.238 at 0.00e+00 assign (resid 165 and name HD* ) (resid 165 and name HN ) 3.5 1.7 1.0 ! H.235 at 0.00e+00 assign (resid 165 and name HG ) (resid 165 and name HN ) 4.0 2.2 1.0 ! H.237 at 0.00e+00 assign (resid 165 and name HN ) (resid 166 and name HN ) 4.0 2.2 1.0 ! H.241 at 0.00e+00 assign (resid 165 and name HD* ) (resid 166 and name HN ) 4.0 2.2 1.5 ! H.243 at 0.00e+00 assign (resid 165 and name HD* ) (resid 168 and name HN ) 4.0 2.2 2.5 ! H.256 at 0.00e+00 assign (resid 165 and name HD* ) (resid 213 and name HZ ) 4.0 2.2 1.5 ! D.109 at 0.00e+00 assign (resid 165 and name HD* ) (resid 215 and name HG* ) 2.5 0.7 1.2 ! D.106 at 0.00e+00 assign (resid 165 and name HB# ) (resid 215 and name HN ) 4.0 2.2 2.0 ! G.34 at 0.00e+00 assign (resid 165 and name HB# ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! D.93 at 0.00e+00 assign (resid 165 and name HD* ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! 3.5 at 1.70e+00 ! R166 assign (resid 166 and name HA ) (resid 166 and name HG# ) 4.0 2.2 1.0 ! E.39 at 0.00e+00 assign (resid 166 and name HG# ) (resid 166 and name HN ) 3.5 1.7 0.5 ! H.244 at 0.00e+00 assign (resid 166 and name HN ) (resid 167 and name HN ) 4.0 2.2 1.0 ! H.247 at 0.00e+00 assign (resid 166 and name HB# ) (resid 167 and name HN ) 4.0 2.2 1.0 ! H.252 at 0.00e+00 assign (resid 166 and name HG# ) (resid 167 and name HN ) 4.0 2.2 1.0 ! H.251 at 0.00e+00 assign (resid 166 and name HN ) (resid 168 and name HN ) 4.0 2.2 2.0 ! H.257 at 0.00e+00 assign (resid 166 and name HA ) (resid 169 and name HN ) 4.0 2.2 1.0 ! H.265 at 0.00e+00 assign (resid 166 and name HA ) (resid 215 and name HB ) 4.0 2.2 1.0 ! C.6 at 0.00e+00 assign (resid 166 and name HD# ) (resid 215 and name HN ) 4.0 2.2 2.5 ! 2.0 at 0.00e+00 assign (resid 166 and name HN ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! H.242 at 0.00e+00 assign (resid 166 and name HN ) (resid 215 and name HG2# ) 4.0 2.2 1.5 ! C.18 at 0.00e+00 assign (resid 166 and name HN ) (resid 215 and name HG1# ) 4.0 2.2 1.5 ! C.19 at 0.00e+00 assign (resid 166 and name HD# ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! D.111 at 0.00e+00 assign (resid 166 and name HD# ) (resid 220 and name HG1# ) 4.0 2.2 2.0 ! E.372 at 0.00e+00 assign (resid 166 and name HD# ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! D.112 at 0.00e+00 assign (resid 166 and name HA ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! F.122 at 0.00e+00 assign (resid 166 and name HB# ) (resid 220 and name HD1# ) 3.5 1.7 0.8 ! C.9 at 0.00e+00 assign (resid 166 and name HG# ) (resid 220 and name HD1# ) 3.5 1.7 0.8 ! D.53 at 0.00e+00 ! Q167 assign (resid 167 and name HG# ) (resid 167 and name HA ) 3.5 1.7 0.3 ! E.377 at 0.00e+00 assign (resid 167 and name HG# ) (resid 167 and name HN ) 4.0 2.2 1.0 ! H.254 at 0.00e+00 assign (resid 167 and name HB# ) (resid 167 and name HN ) 3.5 1.7 0.5 ! H.253 at 0.00e+00 assign (resid 167 and name HG# ) (resid 168 and name HN ) 4.0 2.2 2.0 ! H.261 at 0.00e+00 assign (resid 167 and name HB# ) (resid 168 and name HN ) 3.5 1.7 0.5 ! H.260 at 0.00e+00 assign (resid 167 and name HA ) (resid 170 and name HD1# ) 4.0 2.2 1.5 ! E.397 at 0.00e+00 assign (resid 167 and name HN ) (resid 170 and name HD1# ) 4.0 2.2 2.5 ! H.250 at 0.00e+00 ! S168 assign (resid 168 and name HB# ) (resid 168 and name HN ) 2.5 0.7 0.4 ! H.259 at 0.00e+00 assign (resid 168 and name HA ) (resid 169 and name HN ) 4.0 2.2 2.0 ! H.263 at 0.00e+00 ! Q169 assign (resid 169 and name HG# ) (resid 169 and name HN ) 4.0 2.2 1.0 ! H.267 at 0.00e+00 assign (resid 169 and name HB# ) (resid 169 and name HN ) 4.0 2.2 1.0 ! H.268 at 0.00e+00 assign (resid 169 and name HG# ) (resid 169 and name HE2# ) 4.0 2.2 2.0 ! H.299 at 0.00e+00 assign (resid 169 and name HE2# ) (resid 214 and name HA ) 4.0 2.2 2.0 ! H.301 at 0.00e+00 assign (resid 169 and name HE2# ) (resid 214 and name HG2# ) 4.0 2.2 2.5 ! H.296 at 0.00e+00 assign (resid 169 and name HG# ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! F.75 at 0.00e+00 assign (resid 169 and name HE2# ) (resid 215 and name HN ) 4.0 2.2 2.0 ! G.41 at 0.00e+00 assign (resid 169 and name HE2# ) (resid 215 and name HG* ) 4.0 2.2 2.5 ! H.297 at 0.00e+00 ! I170 assign (resid 170 and name HG1# ) (resid 170 and name HA ) 4.0 2.2 2.0 ! E.403 at 0.00e+00 assign (resid 170 and name HA ) (resid 170 and name HG2# ) 4.0 2.2 1.5 ! E.385 at 0.00e+00 assign (resid 170 and name HD1# ) (resid 170 and name HB ) 4.0 2.2 1.5 ! E.396 at 0.00e+00 assign (resid 170 and name HG2# ) (resid 170 and name HN ) 4.0 2.2 1.5 ! H.172 at 0.00e+00 assign (resid 170 and name HG1# ) (resid 170 and name HN ) 3.5 1.7 0.5 ! H.176 at 0.00e+00 assign (resid 170 and name HG1# ) (resid 171 and name HN ) 4.0 2.2 2.0 ! H.278 at 0.00e+00 assign (resid 170 and name HG2# ) (resid 171 and name HN ) 4.0 2.2 1.5 ! H.270 at 0.00e+00 assign (resid 170 and name HB ) (resid 171 and name HN ) 4.0 2.2 1.0 ! H.277 at 0.00e+00 assign (resid 170 and name HA ) (resid 171 and name HN ) 3.5 1.7 0.5 ! H.274 at 0.00e+00 assign (resid 170 and name HN ) (resid 171 and name HN ) 3.5 1.7 0.5 ! H.178 at 0.00e+00 assign (resid 170 and name HG2# ) (resid 174 and name HB# ) 4.0 2.2 3.0 ! E.409 at 0.00e+00 ! Q171 assign (resid 171 and name HA ) (resid 171 and name HG# ) 4.0 2.2 2.0 ! E.413 at 0.00e+00 assign (resid 171 and name HG# ) (resid 171 and name HN ) 4.0 2.2 1.0 ! H.276 at 0.00e+00 assign (resid 171 and name HB# ) (resid 171 and name HN ) 2.5 0.7 0.4 ! H.275 at 0.00e+00 ! K172 assign (resid 172 and name HB# ) (resid 172 and name HD# ) 3.5 1.7 0.3 ! E.417 at 0.00e+00 assign (resid 172 and name HD# ) (resid 172 and name HN ) 4.0 2.2 2.0 ! H.281 at 0.00e+00 assign (resid 172 and name HG# ) (resid 172 and name HN ) 4.0 2.2 1.0 ! H.279 at 0.00e+00 assign (resid 172 and name HB# ) (resid 172 and name HN ) 2.5 0.7 0.4 ! H.280 at 0.00e+00 assign (resid 172 and name HN ) (resid 173 and name HN ) 4.0 2.2 1.0 ! H.282 at 0.00e+00 ! E173 assign (resid 173 and name HG# ) (resid 173 and name HN ) 4.0 2.2 1.0 ! H.140 at 0.00e+00 assign (resid 173 and name HB# ) (resid 173 and name HN ) 2.5 0.7 0.4 ! H.139 at 0.00e+00 assign (resid 173 and name HB# ) (resid 174 and name HN ) 4.0 2.2 2.0 ! H.285 at 0.00e+00 assign (resid 173 and name HA ) (resid 174 and name HN ) 3.5 1.7 0.5 ! H.286 at 0.00e+00 ! A174 assign (resid 174 and name HB# ) (resid 174 and name HN ) 2.5 0.7 0.9 ! H.284 at 0.00e+00 assign (resid 174 and name HB# ) (resid 175 and name HN ) 4.0 2.2 1.5 ! H.291 at 0.00e+00 assign (resid 174 and name HN ) (resid 175 and name HN ) 4.0 2.2 1.0 ! H.288 at 0.00e+00 assign (resid 174 and name HB# ) (resid 177 and name HN ) 4.0 2.2 2.5 ! H.55 at 0.00e+00 ! T175 assign (resid 175 and name HA ) (resid 175 and name HG2# ) 4.0 2.2 1.5 ! E.423 at 0.00e+00 assign (resid 175 and name HG2# ) (resid 175 and name HN ) 4.0 2.2 2.5 ! H.292 at 0.00e+00 assign (resid 175 and name HA ) (resid 176 and name HN ) 3.5 1.7 0.5 ! H.293 at 0.00e+00 assign (resid 175 and name HN ) (resid 176 and name HN ) 4.0 2.2 1.0 ! H.289 at 0.00e+00 ! A176 assign (resid 176 and name HB# ) (resid 176 and name HN ) 4.0 2.2 1.5 ! H.294 at 0.00e+00 ! Q177 assign (resid 177 and name HA ) (resid 178 and name HN ) 4.0 2.2 1.0 ! H.295 at 0.00e+00 ! G209 ! S210 ! K211 assign (resid 211 and name HA ) (resid 212 and name HN ) 4.0 2.2 2.0 ! G.1 at 0.00e+00 ! A212 assign (resid 212 and name HB# ) (resid 212 and name HN ) 4.0 2.2 2.0 ! G.2 at 0.00e+00 assign (resid 212 and name HA ) (resid 213 and name HN ) 4.0 2.2 1.0 ! G.3 at 0.00e+00 assign (resid 212 and name HB# ) (resid 213 and name HN ) 4.0 2.2 2.0 ! G.4 at 0.00e+00 ! F213 assign (resid 213 and name HB# ) (resid 213 and name HD# ) 4.0 2.2 2.0 ! F.19 at 0.00e+00 assign (resid 213 and name HB# ) (resid 213 and name HN ) 4.0 2.2 1.0 ! G.5 at 0.00e+00 assign (resid 213 and name HD# ) (resid 214 and name HA ) 4.0 2.2 2.0 ! F.20 at 0.00e+00 assign (resid 213 and name HA ) (resid 214 and name HN ) 2.5 0.7 1.0 ! 0.4 at 0.00e+00 assign (resid 213 and name HB# ) (resid 214 and name HN ) 4.0 2.2 1.0 ! G.12 at 0.00e+00 assign (resid 213 and name HD# ) (resid 214 and name HN ) 4.0 2.2 2.0 ! G.19 at 0.00e+00 assign (resid 213 and name HZ ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! F.56 at 0.00e+00 ! I214 assign (resid 214 and name HG1# ) (resid 214 and name HA ) 4.0 2.2 2.0 ! F.40 at 0.00e+00 assign (resid 214 and name HA ) (resid 214 and name HG2# ) 3.5 1.7 0.8 ! F.21 at 0.00e+00 assign (resid 214 and name HD1# ) (resid 214 and name HA ) 3.5 1.7 0.8 ! F.23 at 0.00e+00 assign (resid 214 and name HD1# ) (resid 214 and name HB ) 4.0 2.2 1.5 ! F.29 at 0.00e+00 assign (resid 214 and name HG1# ) (resid 214 and name HN ) 3.5 1.7 0.5 ! G.10 at 0.00e+00 assign (resid 214 and name HB ) (resid 214 and name HN ) 2.5 0.7 0.4 ! G.11 at 0.00e+00 assign (resid 214 and name HD1# ) (resid 214 and name HN ) 3.5 1.7 1.0 ! G.8 at 0.00e+00 assign (resid 214 and name HA ) (resid 215 and name HG* ) 4.0 2.2 1.5 ! F.24 at 0.00e+00 assign (resid 214 and name HA ) (resid 215 and name HB ) 4.0 2.2 2.0 ! F.51 at 0.00e+00 assign (resid 214 and name HG2# ) (resid 215 and name HB ) 4.0 2.2 2.5 ! F.55 at 0.00e+00 assign (resid 214 and name HG1# ) (resid 215 and name HN ) 4.0 2.2 2.0 ! G.35 at 0.00e+00 assign (resid 214 and name HA ) (resid 215 and name HN ) 2.5 0.7 0.4 ! G.38 at 0.00e+00 assign (resid 214 and name HG2# ) (resid 215 and name HN ) 3.5 1.7 1.0 ! G.32 at 0.00e+00 assign (resid 214 and name HN ) (resid 215 and name HN ) 4.0 2.2 1.0 ! G.17 at 0.00e+00 assign (resid 214 and name HG2# ) (resid 216 and name HG2# ) 4.0 2.2 2.0 ! F.43 at 0.00e+00 assign (resid 214 and name HG2# ) (resid 216 and name HN ) 4.0 2.2 2.5 ! G.20 at 0.00e+00 ! V215 assign (resid 215 and name HG* ) (resid 215 and name HA ) 4.0 2.2 1.5 ! F.58 at 0.00e+00 assign (resid 215 and name HG* ) (resid 215 and name HN ) 3.5 1.7 1.0 ! G.33 at 0.00e+00 assign (resid 215 and name HB ) (resid 215 and name HN ) 3.5 1.7 0.5 ! G.36 at 0.00e+00 assign (resid 215 and name HG* ) (resid 216 and name HA ) 4.0 2.2 2.5 ! F.57 at 0.00e+00 assign (resid 215 and name HA ) (resid 216 and name HG2# ) 4.0 2.2 1.5 ! F.81 at 0.00e+00 assign (resid 215 and name HN ) (resid 216 and name HN ) 4.0 2.2 2.0 ! G.31 at 0.00e+00 assign (resid 215 and name HB ) (resid 216 and name HN ) 4.0 2.2 2.0 ! G.23 at 0.00e+00 assign (resid 215 and name HA ) (resid 216 and name HN ) 2.5 0.7 0.4 ! G.26 at 0.00e+00 assign (resid 215 and name HG* ) (resid 216 and name HN ) 3.5 1.7 1.0 ! G.21 at 0.00e+00 assign (resid 215 and name HG* ) (resid 219 and name HB# ) 4.0 2.2 2.5 ! F.80 at 0.00e+00 assign (resid 215 and name HB ) (resid 219 and name HB# ) 4.0 2.2 2.0 ! F.110 at 0.00e+00 ! T216 assign (resid 216 and name HG2# ) (resid 216 and name HA ) 2.5 0.7 0.7 ! F.82 at 0.00e+00 assign (resid 216 and name HG2# ) (resid 216 and name HN ) 3.5 1.7 1.0 ! G.22 at 0.00e+00 assign (resid 216 and name HG2# ) (resid 217 and name HN ) 4.0 2.2 1.5 ! G.42 at 0.00e+00 assign (resid 216 and name HG2# ) (resid 218 and name HN ) 4.0 2.2 2.5 ! G.52 at 0.00e+00 assign (resid 216 and name HG2# ) (resid 219 and name HN ) 4.0 2.2 2.5 ! G.61 at 0.00e+00 assign (resid 216 and name HN ) (resid 219 and name HN ) 4.0 2.2 1.0 ! G.29 at 0.00e+00 assign (resid 216 and name HN ) (resid 219 and name HB# ) 4.0 2.2 1.0 ! G.24 at 0.00e+00 assign (resid 216 and name HN ) (resid 220 and name HN ) 4.0 2.2 2.0 ! G.28 at 0.00e+00 ! D217 assign (resid 217 and name HB# ) (resid 217 and name HN ) 3.5 1.7 0.5 ! G.44 at 0.00e+00 assign (resid 217 and name HN ) (resid 218 and name HN ) 4.0 2.2 1.0 ! G.47 at 0.00e+00 assign (resid 217 and name HB# ) (resid 218 and name HN ) 4.0 2.2 1.0 ! G.55 at 0.00e+00 assign (resid 217 and name HB# ) (resid 219 and name HN ) 4.0 2.2 1.0 ! G.60 at 0.00e+00 assign (resid 217 and name HA ) (resid 220 and name HB ) 4.0 2.2 1.0 ! F.117 at 0.00e+00 assign (resid 217 and name HA ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! F.123 at 0.00e+00 assign (resid 217 and name HN ) (resid 220 and name HB ) 4.0 2.2 2.0 ! G.43 at 0.00e+00 assign (resid 217 and name HA ) (resid 220 and name HN ) 4.0 2.2 1.0 ! G.81 at 0.00e+00 assign (resid 217 and name HB# ) (resid 220 and name HN ) 4.0 2.2 1.0 ! G.79 at 0.00e+00 ! E218 assign (resid 218 and name HG# ) (resid 218 and name HA ) 4.0 2.2 2.0 ! F.96 at 0.00e+00 assign (resid 218 and name HG# ) (resid 218 and name HN ) 4.0 2.2 2.0 ! G.56 at 0.00e+00 assign (resid 218 and name HB# ) (resid 218 and name HN ) 4.0 2.2 1.0 ! G.296 at 0.00e+00 assign (resid 218 and name HB# ) (resid 219 and name HA ) 4.0 2.2 1.0 ! F.100 at 0.00e+00 assign (resid 218 and name HN ) (resid 219 and name HN ) 4.0 2.2 1.0 ! G.67 at 0.00e+00 assign (resid 218 and name HA ) (resid 219 and name HN ) 4.0 2.2 2.0 ! G.64 at 0.00e+00 assign (resid 218 and name HB# ) (resid 219 and name HN ) 4.0 2.2 1.0 ! G.58 at 0.00e+00 assign (resid 218 and name HN ) (resid 220 and name HN ) 4.0 2.2 2.0 ! G.50 at 0.00e+00 assign (resid 218 and name HA ) (resid 220 and name HN ) 4.0 2.2 2.0 ! G.82 at 0.00e+00 ! D219 assign (resid 219 and name HB# ) (resid 219 and name HN ) 4.0 2.2 1.0 ! G.63 at 0.00e+00 assign (resid 219 and name HB# ) (resid 220 and name HD1# ) 4.0 2.2 2.5 ! F.109 at 0.00e+00 assign (resid 219 and name HA ) (resid 220 and name HG1# ) 4.0 2.2 2.0 ! F.97 at 0.00e+00 assign (resid 219 and name HN ) (resid 220 and name HN ) 4.0 2.2 1.0 ! G.73 at 0.00e+00 assign (resid 219 and name HN ) (resid 220 and name HG1# ) 4.0 2.2 2.0 ! G.62 at 0.00e+00 assign (resid 219 and name HN ) (resid 220 and name HB ) 4.0 2.2 1.0 ! G.59 at 0.00e+00 assign (resid 219 and name HN ) (resid 220 and name HD1# ) 4.0 2.2 2.5 ! G.57 at 0.00e+00 assign (resid 219 and name HN ) (resid 222 and name HN ) 4.0 2.2 2.0 ! G.69 at 0.00e+00 assign (resid 219 and name HA ) (resid 222 and name HN ) 4.0 2.2 1.0 ! G.97 at 0.00e+00 ! I220 assign (resid 220 and name HG1# ) (resid 220 and name HA ) 4.0 2.2 2.0 ! F.134 at 0.00e+00 assign (resid 220 and name HA ) (resid 220 and name HG2# ) 3.5 1.7 0.8 ! F.111 at 0.00e+00 assign (resid 220 and name HD1# ) (resid 220 and name HB ) 3.5 1.7 0.8 ! F.127 at 0.00e+00 assign (resid 220 and name HD1# ) (resid 220 and name HA ) 4.0 2.2 1.5 ! F.124 at 0.00e+00 assign (resid 220 and name HG1# ) (resid 220 and name HN ) 4.0 2.2 1.0 ! G.78 at 0.00e+00 assign (resid 220 and name HG2# ) (resid 220 and name HN ) 4.0 2.2 1.5 ! G.77 at 0.00e+00 assign (resid 220 and name HD1# ) (resid 220 and name HN ) 4.0 2.2 1.5 ! G.76 at 0.00e+00 assign (resid 220 and name HA ) (resid 221 and name HB# ) 4.0 2.2 2.0 ! F.115 at 0.00e+00 assign (resid 220 and name HB ) (resid 221 and name HN ) 3.5 1.7 0.5 ! G.86 at 0.00e+00 assign (resid 220 and name HN ) (resid 221 and name HN ) 3.5 1.7 0.5 ! G.72 at 0.00e+00 assign (resid 220 and name HG2# ) (resid 221 and name HN ) 4.0 2.2 1.5 ! G.83 at 0.00e+00 assign (resid 220 and name HA ) (resid 221 and name HN ) 4.0 2.2 2.0 ! G.302 at 0.00e+00 assign (resid 220 and name HG1# ) (resid 221 and name HN ) 4.0 2.2 2.0 ! G.84 at 0.00e+00 assign (resid 220 and name HG2# ) (resid 223 and name HN ) 4.0 2.2 1.5 ! G.104 at 0.00e+00 assign (resid 220 and name HA ) (resid 223 and name HN ) 4.0 2.2 1.0 ! G.103 at 0.00e+00 assign (resid 220 and name HG2# ) (resid 224 and name HG# ) 4.0 2.2 2.5 ! F.213 at 0.00e+00 assign (resid 220 and name HG2# ) (resid 224 and name HN ) 4.0 2.2 1.5 ! G.111 at 0.00e+00 ! R221 assign (resid 221 and name HB# ) (resid 221 and name HD# ) 4.0 2.2 1.0 ! F.153 at 0.00e+00 assign (resid 221 and name HG# ) (resid 221 and name HA ) 4.0 2.2 1.0 ! F.170 at 0.00e+00 assign (resid 221 and name HD# ) (resid 221 and name HA ) 4.0 2.2 2.0 ! F.168 at 0.00e+00 assign (resid 221 and name HB# ) (resid 221 and name HN ) 2.5 0.7 0.4 ! G.87 at 0.00e+00 assign (resid 221 and name HN ) (resid 222 and name HN ) 3.5 1.7 0.5 ! G.101 at 0.00e+00 assign (resid 221 and name HG# ) (resid 222 and name HN ) 3.5 1.7 0.5 ! G.96 at 0.00e+00 assign (resid 221 and name HB# ) (resid 222 and name HN ) 2.5 0.7 0.4 ! G.93 at 0.00e+00 assign (resid 221 and name HN ) (resid 223 and name HN ) 4.0 2.2 2.0 ! G.91 at 0.00e+00 assign (resid 221 and name HA ) (resid 224 and name HB# ) 4.0 2.2 2.0 ! F.211 at 0.00e+00 assign (resid 221 and name HA ) (resid 224 and name HN ) 4.0 2.2 1.0 ! G.114 at 0.00e+00 ! K222 assign (resid 222 and name HD# ) (resid 222 and name HA ) 4.0 2.2 1.0 ! F.178 at 0.00e+00 assign (resid 222 and name HG# ) (resid 222 and name HA ) 4.0 2.2 1.0 ! F.189 at 0.00e+00 assign (resid 222 and name HE# ) (resid 222 and name HG# ) 3.5 1.7 0.3 ! F.184 at 0.00e+00 assign (resid 222 and name HG# ) (resid 222 and name HN ) 3.5 1.7 0.5 ! G.95 at 0.00e+00 assign (resid 222 and name HG# ) (resid 223 and name HA ) 4.0 2.2 1.0 ! F.196 at 0.00e+00 assign (resid 222 and name HN ) (resid 223 and name HN ) 4.0 2.2 1.0 ! G.102 at 0.00e+00 assign (resid 222 and name HN ) (resid 224 and name HN ) 4.0 2.2 2.0 ! G.99 at 0.00e+00 assign (resid 222 and name HN ) (resid 225 and name HN ) 4.0 2.2 2.0 ! G.127 at 0.00e+00 assign (resid 222 and name HG# ) (resid 226 and name HD# ) 4.0 2.2 1.0 ! F.235 at 0.00e+00 ! Q223 assign (resid 223 and name HG# ) (resid 223 and name HA ) 4.0 2.2 1.0 ! F.432 at 0.00e+00 assign (resid 223 and name HN ) (resid 224 and name HN ) 3.5 1.7 0.5 ! G.108 at 0.00e+00 assign (resid 223 and name HA ) (resid 224 and name HN ) 4.0 2.2 2.0 ! G.115 at 0.00e+00 assign (resid 223 and name HB# ) (resid 224 and name HN ) 3.5 1.7 0.5 ! G.119 at 0.00e+00 assign (resid 223 and name HA ) (resid 226 and name HB# ) 4.0 2.2 1.0 ! F.225 at 0.00e+00 assign (resid 223 and name HB# ) (resid 227 and name HG2# ) 4.0 2.2 2.5 ! F.201 at 0.00e+00 ! E224 assign (resid 224 and name HA ) (resid 224 and name HG# ) 3.5 1.7 0.3 ! F.205 at 0.00e+00 assign (resid 224 and name HN ) (resid 225 and name HN ) 3.5 1.7 0.5 ! G.126 at 0.00e+00 assign (resid 224 and name HA ) (resid 227 and name HB ) 4.0 2.2 1.0 ! F.245 at 0.00e+00 assign (resid 224 and name HA ) (resid 227 and name HN ) 4.0 2.2 1.0 ! G.139 at 0.00e+00 ! E225 assign (resid 225 and name HG# ) (resid 225 and name HA ) 3.5 1.7 0.3 ! F.223 at 0.00e+00 assign (resid 225 and name HG# ) (resid 225 and name HN ) 3.5 1.7 0.5 ! G.123 at 0.00e+00 assign (resid 225 and name HB# ) (resid 225 and name HN ) 2.5 0.7 0.4 ! G.124 at 0.00e+00 assign (resid 225 and name HB# ) (resid 226 and name HD# ) 4.0 2.2 2.0 ! F.233 at 0.00e+00 assign (resid 225 and name HN ) (resid 226 and name HN ) 3.5 1.7 0.5 ! G.125 at 0.00e+00 assign (resid 225 and name HN ) (resid 227 and name HG2# ) 4.0 2.2 1.5 ! G.122 at 0.00e+00 assign (resid 225 and name HA ) (resid 228 and name HB# ) 3.5 1.7 0.3 ! F.481 at 0.00e+00 assign (resid 225 and name HA ) (resid 228 and name HN ) 3.5 1.7 0.5 ! G.305 at 0.00e+00 ! R226 assign (resid 226 and name HD# ) (resid 226 and name HA ) 4.0 2.2 1.0 ! F.232 at 0.00e+00 assign (resid 226 and name HD# ) (resid 226 and name HB# ) 4.0 2.2 1.0 ! F.234 at 0.00e+00 assign (resid 226 and name HB# ) (resid 226 and name HN ) 2.5 0.7 0.4 ! G.133 at 0.00e+00 assign (resid 226 and name HB# ) (resid 227 and name HG2# ) 4.0 2.2 2.5 ! F.227 at 0.00e+00 assign (resid 226 and name HD# ) (resid 227 and name HG2# ) 4.0 2.2 2.5 ! F.229 at 0.00e+00 assign (resid 226 and name HA ) (resid 227 and name HG2# ) 4.0 2.2 2.5 ! F.89 at 0.00e+00 assign (resid 226 and name HN ) (resid 227 and name HN ) 3.5 1.7 0.5 ! G.137 at 0.00e+00 assign (resid 226 and name HB# ) (resid 228 and name HN ) 4.0 2.2 1.0 ! G.150 at 0.00e+00 assign (resid 226 and name HD# ) (resid 230 and name HG* ) 4.0 2.2 2.5 ! F.231 at 0.00e+00 ! V227 assign (resid 227 and name HA ) (resid 227 and name HG1# ) 3.5 1.7 0.8 ! F.240 at 0.00e+00 assign (resid 227 and name HA ) (resid 227 and name HG2# ) 3.5 1.7 0.8 ! F.239 at 0.00e+00 assign (resid 227 and name HG2# ) (resid 227 and name HN ) 2.5 0.7 0.9 ! G.140 at 0.00e+00 assign (resid 227 and name HB ) (resid 227 and name HN ) 3.5 1.7 0.5 ! G.142 at 0.00e+00 assign (resid 227 and name HG1# ) (resid 227 and name HN ) 3.5 1.7 1.0 ! G.141 at 0.00e+00 assign (resid 227 and name HG1# ) (resid 228 and name HA ) 4.0 2.2 1.5 ! F.248 at 0.00e+00 assign (resid 227 and name HN ) (resid 228 and name HN ) 3.5 1.7 0.5 ! G.145 at 0.00e+00 assign (resid 227 and name HA ) (resid 228 and name HN ) 4.0 2.2 2.0 ! G.304 at 0.00e+00 assign (resid 227 and name HG2# ) (resid 228 and name HN ) 4.0 2.2 1.5 ! G.148 at 0.00e+00 assign (resid 227 and name HG1# ) (resid 228 and name HN ) 4.0 2.2 1.5 ! G.149 at 0.00e+00 assign (resid 227 and name HA ) (resid 230 and name HB ) 4.0 2.2 2.0 ! F.298 at 0.00e+00 assign (resid 227 and name HA ) (resid 230 and name HG* ) 4.0 2.2 2.5 ! F.313 at 0.00e+00 assign (resid 227 and name HA ) (resid 230 and name HN ) 4.0 2.2 1.0 ! G.169 at 0.00e+00 assign (resid 227 and name HG1# ) (resid 231 and name HG# ) 4.0 2.2 2.5 ! F.324 at 0.00e+00 ! Q228 assign (resid 228 and name HA ) (resid 228 and name HG# ) 4.0 2.2 1.0 ! F.273 at 0.00e+00 assign (resid 228 and name HG# ) (resid 228 and name HN ) 3.5 1.7 0.5 ! G.147 at 0.00e+00 assign (resid 228 and name HB# ) (resid 229 and name HG# ) 3.5 1.7 0.3 ! F.291 at 0.00e+00 assign (resid 228 and name HB# ) (resid 229 and name HN ) 2.5 0.7 0.4 ! G.156 at 0.00e+00 assign (resid 228 and name HN ) (resid 229 and name HN ) 3.5 1.7 0.5 ! G.144 at 0.00e+00 assign (resid 228 and name HA ) (resid 230 and name HB ) 4.0 2.2 2.0 ! F.299 at 0.00e+00 assign (resid 228 and name HA ) (resid 231 and name HD# ) 4.0 2.2 2.0 ! F.274 at 0.00e+00 assign (resid 228 and name HA ) (resid 231 and name HB# ) 4.0 2.2 1.0 ! F.271 at 0.00e+00 assign (resid 228 and name HA ) (resid 231 and name HN ) 4.0 2.2 1.0 ! G.175 at 0.00e+00 ! Q229 assign (resid 229 and name HA ) (resid 229 and name HG# ) 4.0 2.2 1.0 ! F.284 at 0.00e+00 assign (resid 229 and name HG# ) (resid 229 and name HN ) 4.0 2.2 1.0 ! G.158 at 0.00e+00 assign (resid 229 and name HB# ) (resid 229 and name HN ) 3.5 1.7 0.5 ! G.157 at 0.00e+00 assign (resid 229 and name HA ) (resid 230 and name HN ) 4.0 2.2 1.0 ! G.168 at 0.00e+00 assign (resid 229 and name HB# ) (resid 230 and name HN ) 4.0 2.2 1.0 ! G.164 at 0.00e+00 assign (resid 229 and name HN ) (resid 230 and name HN ) 2.5 0.7 0.4 ! G.151 at 0.00e+00 assign (resid 229 and name HN ) (resid 230 and name HG* ) 4.0 2.2 2.5 ! G.159 at 0.00e+00 assign (resid 229 and name HN ) (resid 231 and name HN ) 4.0 2.2 2.0 ! G.172 at 0.00e+00 assign (resid 229 and name HN ) (resid 232 and name HN ) 4.0 2.2 1.0 ! G.186 at 0.00e+00 assign (resid 229 and name HA ) (resid 233 and name HG# ) 4.0 2.2 1.0 ! F.283 at 0.00e+00 ! V230 assign (resid 230 and name HA ) (resid 230 and name HG* ) 4.0 2.2 1.5 ! F.292 at 0.00e+00 assign (resid 230 and name HG* ) (resid 230 and name HN ) 2.5 0.7 0.9 ! G.160 at 0.00e+00 assign (resid 230 and name HB ) (resid 230 and name HN ) 2.5 0.7 0.4 ! G.163 at 0.00e+00 assign (resid 230 and name HB ) (resid 231 and name HG# ) 4.0 2.2 2.0 ! F.302 at 0.00e+00 assign (resid 230 and name HA ) (resid 231 and name HN ) 4.0 2.2 2.0 ! G.173 at 0.00e+00 assign (resid 230 and name HB ) (resid 231 and name HN ) 3.5 1.7 0.5 ! G.178 at 0.00e+00 assign (resid 230 and name HN ) (resid 231 and name HN ) 3.5 1.7 0.5 ! G.166 at 0.00e+00 assign (resid 230 and name HA ) (resid 233 and name HB# ) 4.0 2.2 2.0 ! F.295 at 0.00e+00 assign (resid 230 and name HA ) (resid 233 and name HD# ) 4.0 2.2 2.0 ! F.177 at 0.00e+00 assign (resid 230 and name HA ) (resid 233 and name HG# ) 4.0 2.2 2.0 ! F.294 at 0.00e+00 assign (resid 230 and name HG* ) (resid 233 and name HE# ) 4.0 2.2 1.5 ! F.188 at 0.00e+00 assign (resid 230 and name HA ) (resid 233 and name HN ) 4.0 2.2 1.0 ! G.190 at 0.00e+00 ! R231 assign (resid 231 and name HG# ) (resid 231 and name HA ) 4.0 2.2 2.0 ! F.329 at 0.00e+00 assign (resid 231 and name HG# ) (resid 231 and name HN ) 4.0 2.2 1.0 ! G.180 at 0.00e+00 assign (resid 231 and name HB# ) (resid 231 and name HN ) 2.5 0.7 0.4 ! G.179 at 0.00e+00 assign (resid 231 and name HN ) (resid 232 and name HN ) 3.5 1.7 0.5 ! G.183 at 0.00e+00 assign (resid 231 and name HN ) (resid 232 and name HA ) 4.0 2.2 2.0 ! G.176 at 0.00e+00 assign (resid 231 and name HA ) (resid 234 and name HB# ) 4.0 2.2 2.0 ! F.358 at 0.00e+00 assign (resid 231 and name HA ) (resid 234 and name HG ) 4.0 2.2 1.0 ! F.316 at 0.00e+00 assign (resid 231 and name HA ) (resid 234 and name HN ) 4.0 2.2 1.0 ! G.198 at 0.00e+00 assign (resid 231 and name HG# ) (resid 235 and name HN ) 4.0 2.2 1.0 ! G.212 at 0.00e+00 ! K232 assign (resid 232 and name HB# ) (resid 232 and name HE# ) 4.0 2.2 2.0 ! F.335 at 0.00e+00 assign (resid 232 and name HB# ) (resid 232 and name HD# ) 2.5 0.7 0.2 ! F.332 at 0.00e+00 assign (resid 232 and name HB# ) (resid 232 and name HN ) 2.5 0.7 0.4 ! G.182 at 0.00e+00 assign (resid 232 and name HG# ) (resid 232 and name HN ) 3.5 1.7 0.5 ! G.264 at 0.00e+00 assign (resid 232 and name HN ) (resid 233 and name HN ) 3.5 1.7 0.5 ! G.184 at 0.00e+00 assign (resid 232 and name HG# ) (resid 233 and name HN ) 4.0 2.2 1.0 ! G.192 at 0.00e+00 assign (resid 232 and name HN ) (resid 234 and name HN ) 4.0 2.2 1.0 ! G.185 at 0.00e+00 ! K233 assign (resid 233 and name HA ) (resid 233 and name HG# ) 3.5 1.7 0.3 ! F.224 at 0.00e+00 assign (resid 233 and name HG# ) (resid 233 and name HN ) 3.5 1.7 0.5 ! G.193 at 0.00e+00 assign (resid 233 and name HB# ) (resid 234 and name HN ) 4.0 2.2 1.0 ! G.203 at 0.00e+00 assign (resid 233 and name HN ) (resid 234 and name HN ) 3.5 1.7 0.5 ! G.189 at 0.00e+00 assign (resid 233 and name HN ) (resid 234 and name HD* ) 4.0 2.2 2.5 ! G.195 at 0.00e+00 assign (resid 233 and name HN ) (resid 235 and name HN ) 4.0 2.2 2.0 ! G.206 at 0.00e+00 assign (resid 233 and name HA ) (resid 236 and name HN ) 4.0 2.2 1.0 ! G.218 at 0.00e+00 ! L234 assign (resid 234 and name HD* ) (resid 234 and name HA ) 4.0 2.2 2.5 ! F.370 at 0.00e+00 assign (resid 234 and name HD* ) (resid 234 and name HB# ) 3.5 1.7 0.8 ! F.366 at 0.00e+00 assign (resid 234 and name HB# ) (resid 234 and name HD2# ) 4.0 2.2 1.5 ! F.361 at 0.00e+00 assign (resid 234 and name HB# ) (resid 234 and name HN ) 3.5 1.7 0.5 ! G.202 at 0.00e+00 assign (resid 234 and name HD2# ) (resid 234 and name HN ) 3.5 1.7 1.0 ! G.200 at 0.00e+00 assign (resid 234 and name HD* ) (resid 235 and name HN ) 4.0 2.2 1.5 ! G.209 at 0.00e+00 assign (resid 234 and name HA ) (resid 235 and name HN ) 4.0 2.2 1.0 ! G.207 at 0.00e+00 assign (resid 234 and name HG ) (resid 238 and name HD* ) 4.0 2.2 1.5 ! F.422 at 0.00e+00 ! E235 assign (resid 235 and name HG# ) (resid 235 and name HA ) 4.0 2.2 2.0 ! F.388 at 0.00e+00 assign (resid 235 and name HB# ) (resid 235 and name HN ) 2.5 0.7 0.4 ! G.210 at 0.00e+00 assign (resid 235 and name HG# ) (resid 235 and name HN ) 4.0 2.2 1.0 ! G.211 at 0.00e+00 assign (resid 235 and name HN ) (resid 236 and name HN ) 3.5 1.7 0.5 ! G.215 at 0.00e+00 assign (resid 235 and name HB# ) (resid 236 and name HN ) 3.5 1.7 0.5 ! 2.5 at 7.00e-01 assign (resid 235 and name HN ) (resid 237 and name HN ) 4.0 2.2 2.0 ! G.224 at 0.00e+00 assign (resid 235 and name HA ) (resid 238 and name HD* ) 4.0 2.2 1.5 ! F.376 at 0.00e+00 assign (resid 235 and name HA ) (resid 238 and name HB# ) 4.0 2.2 2.0 ! F.411 at 0.00e+00 assign (resid 235 and name HA ) (resid 238 and name HN ) 4.0 2.2 2.0 ! G.237 at 0.00e+00 ! E236 assign (resid 236 and name HB# ) (resid 236 and name HN ) 3.5 1.7 0.5 ! G.221 at 0.00e+00 assign (resid 236 and name HA ) (resid 237 and name HN ) 4.0 2.2 1.0 ! G.229 at 0.00e+00 assign (resid 236 and name HN ) (resid 237 and name HN ) 4.0 2.2 1.0 ! G.216 at 0.00e+00 assign (resid 236 and name HB# ) (resid 237 and name HN ) 4.0 2.2 1.0 ! G.299 at 0.00e+00 assign (resid 236 and name HN ) (resid 237 and name HB# ) 4.0 2.2 1.5 ! G.214 at 0.00e+00 assign (resid 236 and name HA ) (resid 239 and name HB# ) 4.0 2.2 2.0 ! F.431 at 0.00e+00 assign (resid 236 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! G.242 at 0.00e+00 assign (resid 236 and name HA ) (resid 240 and name HN ) 4.0 2.2 2.0 ! G.254 at 0.00e+00 ! A237 assign (resid 237 and name HB# ) (resid 237 and name HN ) 2.5 0.7 0.9 ! G.226 at 0.00e+00 assign (resid 237 and name HB# ) (resid 238 and name HB# ) 4.0 2.2 1.5 ! F.398 at 0.00e+00 assign (resid 237 and name HN ) (resid 238 and name HN ) 4.0 2.2 1.0 ! G.230 at 0.00e+00 assign (resid 237 and name HA ) (resid 238 and name HN ) 4.0 2.2 2.0 ! G.238 at 0.00e+00 assign (resid 237 and name HB# ) (resid 238 and name HN ) 3.5 1.7 1.0 ! G.233 at 0.00e+00 assign (resid 237 and name HA ) (resid 239 and name HN ) 4.0 2.2 2.0 ! G.243 at 0.00e+00 assign (resid 237 and name HB# ) (resid 239 and name HN ) 4.0 2.2 1.5 ! G.247 at 0.00e+00 assign (resid 237 and name HA ) (resid 240 and name HB# ) 2.5 0.7 0.7 ! F.485 at 0.00e+00 ! L238 assign (resid 238 and name HD* ) (resid 238 and name HA ) 4.0 2.2 2.5 ! F.420 at 0.00e+00 assign (resid 238 and name HD* ) (resid 238 and name HB# ) 3.5 1.7 0.8 ! F.417 at 0.00e+00 assign (resid 238 and name HD* ) (resid 238 and name HN ) 3.5 1.7 1.0 ! G.232 at 0.00e+00 assign (resid 238 and name HB# ) (resid 238 and name HN ) 3.5 1.7 0.5 ! G.235 at 0.00e+00 assign (resid 238 and name HG ) (resid 238 and name HN ) 4.0 2.2 1.5 ! 3.5 at 1.70e+00 assign (resid 238 and name HD* ) (resid 239 and name HE# ) 4.0 2.2 3.0 ! F.425 at 0.00e+00 assign (resid 238 and name HN ) (resid 239 and name HN ) 3.5 1.7 0.5 ! G.239 at 0.00e+00 assign (resid 238 and name HD* ) (resid 239 and name HN ) 4.0 2.2 1.5 ! G.244 at 0.00e+00 assign (resid 238 and name HB# ) (resid 239 and name HN ) 4.0 2.2 1.0 ! G.245 at 0.00e+00 assign (resid 238 and name HN ) (resid 240 and name HN ) 4.0 2.2 1.0 ! G.256 at 0.00e+00 ! M239 assign (resid 239 and name HG# ) (resid 239 and name HA ) 4.0 2.2 1.0 ! F.436 at 0.00e+00 assign (resid 239 and name HB# ) (resid 239 and name HN ) 2.5 0.7 0.4 ! G.246 at 0.00e+00 assign (resid 239 and name HG# ) (resid 240 and name HA ) 4.0 2.2 2.0 ! F.440 at 0.00e+00 assign (resid 239 and name HB# ) (resid 240 and name HN ) 3.5 1.7 0.5 ! G.250 at 0.00e+00 assign (resid 239 and name HA ) (resid 240 and name HN ) 3.5 1.7 0.5 ! G.253 at 0.00e+00 ! A240 assign (resid 240 and name HB# ) (resid 240 and name HN ) 2.5 0.7 0.9 ! G.249 at 0.00e+00 assign (resid 240 and name HN ) (resid 241 and name HN ) 4.0 2.2 1.0 ! G.255 at 0.00e+00 assign (resid 240 and name HA ) (resid 241 and name HN ) 2.5 0.7 1.0 ! 0.4 at 0.00e+00 assign (resid 240 and name HN ) (resid 242 and name HN ) 4.0 2.2 1.0 ! G.257 at 0.00e+00 assign (resid 240 and name HN ) (resid 242 and name HG2# ) 4.0 2.2 2.5 ! G.248 at 0.00e+00 assign (resid 240 and name HN ) (resid 244 and name HN ) 4.0 2.2 1.0 ! G.258 at 0.00e+00 ! D241 assign (resid 241 and name HB# ) (resid 241 and name HN ) 3.5 1.7 0.5 ! G.266 at 0.00e+00 assign (resid 241 and name HA ) (resid 242 and name HN ) 3.5 1.7 0.5 ! G.269 at 0.00e+00 assign (resid 241 and name HB# ) (resid 242 and name HN ) 4.0 2.2 1.0 ! G.275 at 0.00e+00 assign (resid 241 and name HN ) (resid 242 and name HN ) 4.0 2.2 1.0 ! G.259 at 0.00e+00 ! I242 assign (resid 242 and name HA ) (resid 242 and name HG1# ) 4.0 2.2 2.0 ! F.448 at 0.00e+00 assign (resid 242 and name HA ) (resid 242 and name HG2# ) 4.0 2.2 1.5 ! F.450 at 0.00e+00 assign (resid 242 and name HD1# ) (resid 242 and name HB ) 4.0 2.2 1.5 ! F.455 at 0.00e+00 assign (resid 242 and name HG1# ) (resid 242 and name HN ) 4.0 2.2 1.0 ! G.273 at 0.00e+00 assign (resid 242 and name HG2# ) (resid 242 and name HN ) 3.5 1.7 1.0 ! G.271 at 0.00e+00 assign (resid 242 and name HB ) (resid 242 and name HN ) 3.5 1.7 0.5 ! 2.5 at 7.00e-01 assign (resid 242 and name HG2# ) (resid 243 and name HB# ) 4.0 2.2 1.5 ! F.464 at 0.00e+00 assign (resid 242 and name HG2# ) (resid 243 and name HN ) 3.5 1.7 1.0 ! G.283 at 0.00e+00 assign (resid 242 and name HN ) (resid 243 and name HN ) 2.5 0.7 0.4 ! G.267 at 0.00e+00 assign (resid 242 and name HA ) (resid 243 and name HN ) 3.5 1.7 0.5 ! G.279 at 0.00e+00 assign (resid 242 and name HG2# ) (resid 244 and name HN ) 4.0 2.2 2.5 ! G.284 at 0.00e+00 ! L243 assign (resid 243 and name HD* ) (resid 243 and name HB# ) 3.5 1.7 0.8 ! F.419 at 0.00e+00 assign (resid 243 and name HD* ) (resid 243 and name HA ) 3.5 1.7 0.8 ! F.418 at 0.00e+00 assign (resid 243 and name HB# ) (resid 243 and name HN ) 2.5 0.7 1.0 ! 0.4 at 0.00e+00 assign (resid 243 and name HN ) (resid 244 and name HN ) 4.0 2.2 1.5 ! 3.5 at 1.70e+00 assign (resid 243 and name HB# ) (resid 244 and name HN ) 4.0 2.2 1.0 ! G.285 at 0.00e+00 assign (resid 243 and name HA ) (resid 244 and name HN ) 3.5 1.7 0.5 ! G.289 at 0.00e+00 ! S244 assign (resid 244 and name HB# ) (resid 244 and name HN ) 3.5 1.7 0.5 ! G.290 at 0.00e+00
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