@text
NS3 protease
Hepatitis C virus (HCV) ifects approximately 3% of the world's population. HCV RNA is translated into a polyprotein that during maturation is cleaved into functional component. One component non structural protein (NS3) is a 631 residue bifunctional enzyme with protease and helicase activity. The NS3 serine protease processes the HCV polyprotein by both cis and trans mechanisms. 
The structure represents the 2.5A resolution structure containing the complete sequence and the protease activation domain of NS4A in a single polypeptide chain. In the molecule the helicase and the protease activation domain are connected by a single strand. The protease active site of scNS3-Ns4A is occupied by the NS3 c terminus, which is a part of the helicase domain. The protease domain exhibits the dual beta barrel fold while the helicase domain contains both alpha and beta strands.
Both local and global structural rearrangements after the cis cleavage reaction and large segments of the polyprotein can be folded prior to proteolytic processing. That the product complex of the cis cleavage reaction exists in a stable molecular conformation suggests autoinhibition and substrate induced activation mechanisms for regulation of NS3 protease activity.

Refferences: Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase.
Patricia Weber, Structure with folding and design, Vol7, Nov 1999.

Structural characterisation of the interaction of optimized product inhibitors with the N-terminal proteinase domain of the hepatitis C virus NS3 protein by NMR and modelling studies.

Bazzo R, Cicero DO. J Mol Biol 1999 Jun 4, 385-96.
Crystal structure of the Hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
JL Kim, C.Lin. Cell, Vol 87, Oct 1996.

Subcellular localisation of NS3 in hcv-infected hepatocytes.
Errington W, Wardell AD. J Med Virol 1999, Dec 456-62.


@kinemage 1

@caption
the structure of scNS3-Ns4A.
The structure consists of residues 2-180 of Ns3( residues 1028-1206 of the HCV polyprotein) and residues 21-39 of Ns4A ( residues 1678-1696 of the polyprotein. Ns3 subunits (red and yellow-tint) and Ns4A subunits (green and pink). Several basic residues are conserved like Arg109,arg119, lys136, arg 161 and Lys 165. These residues lie near the protease active site. 
@onewidth 
@group {1NS3 1} 
@subgroup {mainchain} 
@vectorlist {Calphas} color= red
{ ca  ile a 3 } P 38.511, 54.432, 19.373 { ca  ile a 3 } L 38.511, 54.432, 19.373
{ ca  thr a 4 } L 35.339, 54.883, 17.325
{ ca  ala a 5 } L 31.626, 54.632, 18.128
{ ca  tyr a 6 } L 28.234, 55.101, 16.487
{ ca  ser a 7 } L 24.745, 56.194, 17.546
{ ca  gln a 8 } L 21.619, 54.070, 17.241
{ ca  gln a 9 } L 18.139, 55.422, 18.000
{ ca  thr a 10 } L 15.921, 52.868, 19.669
{ ca  arg a 11 } L 12.765, 54.881, 20.416
{ ca  gly a 12 } L 10.830, 57.897, 19.235
{ ca  leu a 13 } L 8.757, 60.361, 21.279
{ ca  leu a 14 } L 5.686, 58.092, 21.583
{ ca  gly a 15 } L 7.660, 55.228, 23.103
{ ca  cys a 16 } L 9.714, 57.391, 25.467
{ ca  ile a 17 } L 6.350, 58.689, 26.635
{ ca  ile a 18 } L 4.647, 55.341, 27.073
{ ca  thr a 19 } L 7.745, 53.805, 28.625
{ ca  ser a 20 } L 8.009, 56.793, 30.973
{ ca  leu a 21 } L 4.541, 56.199, 32.443
{ ca  thr a 22 } L 4.504, 52.411, 32.585
{ ca  gly a 23 } L 8.041, 52.260, 33.868
{ ca  arg a 24 } L 8.660, 49.019, 31.996
{ ca  asp a 25 } L 11.274, 48.902, 29.236
{ ca  lys a 26 } L 10.705, 45.775, 27.180
{ ca  asn a 27 } L 13.813, 46.281, 25.024
{ ca  gln a 28 } L 17.148, 44.528, 24.711
{ ca  val a 29 } L 19.929, 46.725, 26.045
{ ca  glu a 30 } L 23.142, 46.745, 23.977
{ ca  gly a 31 } L 26.301, 48.850, 23.732
{ ca  glu a 32 } L 27.988, 50.308, 26.835
{ ca  val a 33 } L 26.853, 53.936, 26.869
{ ca  gln a 34 } L 23.139, 54.533, 26.381
{ ca  val a 35 } L 21.430, 57.830, 25.552
{ ca  val a 36 } L 18.569, 58.369, 27.983
{ ca  ser a 37 } L 15.742, 60.848, 28.305
{ ca  thr a 38 } L 13.234, 62.414, 30.658
{ ca  ala a 39 } L 10.355, 64.794, 29.801
{ ca  thr a 40 } L 12.570, 67.839, 29.778
{ ca  gln a 41 } L 16.021, 66.463, 29.004
{ ca  ser a 42 } L 18.320, 63.995, 27.255
{ ca  phe a 43 } L 21.886, 63.109, 28.223
{ ca  leu a 44 } L 23.991, 59.971, 28.431
{ ca  ala a 45 } L 24.543, 57.174, 30.917
{ ca  thr a 46 } L 27.325, 54.570, 30.874
{ ca  cys a 47 } L 27.804, 51.133, 32.515
{ ca  val a 48 } L 30.956, 50.756, 34.606
{ ca  asn a 49 } L 31.207, 47.733, 36.972
{ ca  gly a 50 } L 27.704, 46.434, 36.272
{ ca  val a 51 } L 25.952, 49.702, 37.245
{ ca  cys a 52 } L 24.411, 52.368, 34.939
{ ca  trp a 53 } L 25.995, 55.681, 36.031
{ ca  thr a 54 } L 24.702, 59.060, 34.842
{ ca  val a 55 } L 24.767, 62.593, 36.245
{ ca  tyr a 56 } L 22.568, 63.896, 39.012
{ ca  his a 57 } L 21.614, 67.107, 37.203
{ ca  gly a 58 } L 20.011, 64.968, 34.499
{ ca  ala a 59 } L 18.438, 61.922, 36.128
{ ca  gly a 60 } L 17.970, 63.501, 39.497
{ ca  ser a 61 } L 16.291, 60.817, 41.587
{ ca  lys a 62 } L 14.015, 59.244, 38.975
{ ca  thr a 63 } L 13.807, 55.511, 38.344
{ ca  leu a 64 } L 15.078, 53.953, 35.121
{ ca  ala a 65 } L 12.358, 52.158, 33.171
{ ca  gly a 66 } L 13.326, 48.513, 33.192
{ ca  pro a 67 } L 12.108, 45.029, 32.083
{ ca  lys a 68 } L 10.124, 44.155, 35.206
{ ca  gly a 69 } L 9.138, 47.726, 36.058
{ ca  pro a 70 } L 11.114, 50.855, 37.032
{ ca  ile a 71 } L 14.533, 50.368, 38.624
{ ca  thr a 72 } L 15.300, 52.434, 41.782
{ ca  gln a 73 } L 18.583, 54.298, 42.252
{ ca  met a 74 } L 21.325, 52.185, 43.706
{ ca  tyr a 75 } L 23.396, 55.324, 44.394
{ ca  thr a 76 } L 22.927, 59.148, 44.635
{ ca  asn a 77 } L 25.933, 61.470, 45.273
{ ca  val a 78 } L 24.140, 64.791, 44.868
{ ca  asp a 79 } L 27.295, 66.693, 45.873
{ ca  gln a 80 } L 29.334, 64.738, 43.386
{ ca  asp a 81 } L 26.596, 65.013, 40.705
{ ca  leu a 82 } L 26.636, 61.220, 40.370
{ ca  val a 83 } L 23.684, 58.761, 40.257
{ ca  gly a 84 } L 23.480, 55.059, 39.426
{ ca  trp a 85 } L 21.198, 52.072, 38.817
{ ca  gln a 86 } L 21.989, 48.360, 38.941
{ ca  ala a 87 } L 22.645, 47.333, 35.340
{ ca  pro a 88 } L 19.545, 45.681, 33.817
{ ca  pro a 89 } L 20.023, 42.349, 31.903
{ ca  gly a 90 } L 23.203, 42.409, 29.876
{ ca  ala a 91 } L 24.352, 46.010, 29.594
{ ca  arg a 92 } L 27.942, 45.701, 28.355
{ ca  ser a 93 } L 30.179, 47.259, 31.014
{ ca  leu a 94 } L 33.396, 49.181, 30.397
{ ca  thr a 95 } L 36.170, 48.004, 32.715
{ ca  pro a 96 } L 37.850, 50.562, 35.037
{ ca  cys a 97 } L 40.973, 52.279, 33.762
{ ca  thr a 98 } L 44.484, 51.047, 34.595
{ ca  cys a 99 } L 47.249, 52.824, 32.535
{ ca  gly a 100 } L 46.932, 56.365, 33.893
{ ca  ser a 101 } L 47.176, 57.758, 30.355
{ ca  ser a 102 } L 46.740, 61.520, 30.087
{ ca  asp a 103 } L 45.424, 60.602, 26.646
{ ca  leu a 104 } L 41.688, 60.552, 27.379
{ ca  tyr a 105 } L 38.734, 60.143, 24.991
{ ca  leu a 106 } L 35.365, 61.872, 25.249
{ ca  val a 107 } L 32.690, 60.031, 23.205
{ ca  thr a 108 } L 29.960, 62.630, 22.651
{ ca  arg a 109 } L 26.200, 61.951, 22.368
{ ca  his a 110 } L 26.390, 61.907, 18.562
{ ca  ala a 111 } L 29.045, 59.207, 18.459
{ ca  asp a 112 } L 31.776, 61.777, 18.017
{ ca  val a 113 } L 35.049, 60.876, 19.712
{ ca  ile a 114 } L 37.241, 63.753, 20.822
{ ca  pro a 115 } L 40.713, 63.404, 22.404
{ ca  val a 116 } L 41.193, 64.982, 25.862
{ ca  arg a 117 } L 44.474, 65.516, 27.772
{ ca  arg a 118 } L 44.088, 64.734, 31.483
{ ca  arg a 119 } L 45.017, 67.940, 33.298
{ ca  gly a 120 } L 44.882, 66.020, 36.566
{ ca  asp a 121 } L 42.586, 64.217, 38.963
{ ca  ser a 122 } L 39.284, 65.562, 37.657
{ ca  arg a 123 } L 39.758, 67.671, 34.503
{ ca  gly a 124 } L 40.926, 67.153, 30.966
{ ca  ser a 125 } L 41.796, 69.805, 28.450
{ ca  leu a 126 } L 40.503, 69.682, 24.915
{ ca  leu a 127 } L 43.426, 69.911, 22.477
{ ca  ser a 128 } L 40.970, 71.375, 19.931
{ ca  pro a 129 } L 38.797, 73.873, 21.924
{ ca  arg a 130 } L 35.255, 73.439, 20.542
{ ca  pro a 131 } L 32.383, 75.810, 21.418
{ ca  val a 132 } L 30.545, 74.946, 24.635
{ ca  ser a 133 } L 27.206, 74.028, 22.954
{ ca  tyr a 134 } L 28.766, 71.176, 21.049
{ ca  leu a 135 } L 28.744, 69.379, 24.405
{ ca  lys a 136 } L 25.050, 69.852, 25.182
{ ca  gly a 137 } L 23.291, 66.574, 25.867
{ ca  ser a 138 } L 26.525, 64.682, 26.257
{ ca  ser a 139 } L 27.088, 64.918, 30.053
{ ca  gly a 140 } L 27.210, 61.479, 31.596
{ ca  gly a 141 } L 29.209, 60.168, 28.653
{ ca  pro a 142 } L 32.431, 58.192, 29.168
{ ca  leu a 143 } L 36.062, 59.246, 29.101
{ ca  leu a 144 } L 38.319, 56.480, 27.903
{ ca  cys a 145 } L 42.069, 55.960, 27.428
{ ca  pro a 146 } L 43.638, 54.293, 24.304
{ ca  ser a 147 } L 42.624, 50.705, 25.111
{ ca  gly a 148 } L 38.968, 51.450, 25.695
{ ca  his a 149 } L 38.827, 51.738, 29.491
{ ca  ala a 150 } L 36.515, 53.967, 31.516
{ ca  val a 151 } L 38.344, 56.733, 33.374
{ ca  gly a 152 } L 35.340, 58.966, 34.228
{ ca  ile a 153 } L 31.874, 60.390, 33.455
{ ca  phe a 154 } L 31.478, 63.781, 31.689
{ ca  arg a 155 } L 30.014, 66.149, 34.255
{ ca  ala a 156 } L 30.455, 69.596, 32.664
{ ca  ala a 157 } L 32.550, 71.558, 30.208
{ ca  val a 158 } L 34.828, 74.177, 31.820
{ ca  cys a 159 } L 33.786, 77.047, 29.605
{ ca  thr a 160 } L 35.267, 80.518, 29.020
{ ca  arg a 161 } L 33.627, 83.103, 26.737
{ ca  gly a 162 } L 31.371, 80.356, 25.396
{ ca  val a 163 } L 34.335, 78.136, 24.417
{ ca  ala a 164 } L 34.740, 74.685, 25.937
{ ca  lys a 165 } L 38.474, 74.818, 26.601
{ ca  ala a 166 } L 38.290, 71.792, 28.911
{ ca  val a 167 } L 35.914, 69.440, 30.817
{ ca  asp a 168 } L 35.191, 68.076, 34.325
{ ca  phe a 169 } L 34.667, 64.376, 34.970
{ ca  val a 170 } L 33.921, 62.280, 38.008
{ ca  pro a 171 } L 36.969, 60.016, 38.407
{ ca  val a 172 } L 36.182, 56.315, 38.152
{ ca  glu a 173 } L 38.031, 56.017, 41.479
{ ca  ser a 174 } L 35.187, 58.110, 43.010
{ ca  met a 175 } L 32.528, 55.843, 41.554
{ ca  glu a 176 } L 34.518, 52.988, 43.126
{ ca  thr a 177 } L 34.713, 54.737, 46.500
{ ca  thr a 178 } L 30.893, 54.959, 46.296
{ ca  met a 179 } L 30.536, 51.307, 45.420
{ ca  arg a 180 } L 32.684, 50.570, 48.494
@group {1NS3 2} 
@subgroup {mainchain} 
@vectorlist {Calphas} color= yellowtint  
{ ca  ile b 3 } P 11.445, 94.173, 14.601 { ca  ile b 3 } L 11.445, 94.173, 14.601
{ ca  thr b 4 } L 8.748, 91.811, 15.759
{ ca  ala b 5 } L 7.713, 88.186, 15.680
{ ca  tyr b 6 } L 4.739, 85.928, 16.383
{ ca  ser b 7 } L 5.081, 82.170, 16.818
{ ca  gln b 8 } L 2.760, 79.897, 14.879
{ ca  gln b 9 } L 2.287, 76.207, 15.674
{ ca  thr b 10 } L 1.630, 73.970, 12.704
{ ca  arg b 11 } L 1.958, 70.500, 14.202
{ ca  gly b 12 } L 1.352, 68.467, 17.329
{ ca  leu b 13 } L 2.424, 65.068, 18.673
{ ca  leu b 14 } L 0.799, 62.858, 15.972
{ ca  gly b 15 } L 2.125, 65.169, 13.295
{ ca  cys b 16 } L 5.737, 65.052, 14.626
{ ca  ile b 17 } L 5.617, 61.313, 15.385
{ ca  ile b 18 } L 4.292, 60.221, 11.976
{ ca  thr b 19 } L 6.100, 62.908, 9.983
{ ca  ser b 20 } L 9.342, 61.912, 11.708
{ ca  leu b 21 } L 8.780, 58.230, 10.821
{ ca  thr b 22 } L 7.829, 58.705, 7.150
{ ca  gly b 23 } L 10.305, 61.529, 6.824
{ ca  arg b 24 } L 7.957, 63.243, 4.421
{ ca  asp b 25 } L 6.363, 66.536, 5.421
{ ca  lys b 26 } L 3.510, 67.524, 3.179
{ ca  asn b 27 } L 2.887, 70.851, 5.019
{ ca  gln b 28 } L 4.521, 73.947, 3.516
{ ca  val b 29 } L 7.463, 75.971, 4.841
{ ca  glu b 30 } L 6.776, 79.659, 5.593
{ ca  gly b 31 } L 8.599, 82.337, 7.562
{ ca  glu b 32 } L 12.324, 82.956, 8.060
{ ca  val b 33 } L 12.766, 80.886, 11.224
{ ca  gln b 34 } L 11.019, 77.520, 11.632
{ ca  val b 35 } L 10.794, 75.708, 14.956
{ ca  val b 36 } L 12.041, 72.140, 14.512
{ ca  ser b 37 } L 11.971, 69.092, 16.760
{ ca  thr b 38 } L 13.357, 65.603, 17.231
{ ca  ala b 39 } L 12.340, 62.978, 19.832
{ ca  thr b 40 } L 14.427, 64.304, 22.711
{ ca  gln b 41 } L 14.819, 67.963, 21.829
{ ca  ser b 42 } L 13.198, 70.998, 20.204
{ ca  phe b 43 } L 15.112, 73.973, 18.832
{ ca  leu b 44 } L 15.057, 76.407, 15.975
{ ca  ala b 45 } L 16.279, 76.623, 12.408
{ ca  thr b 46 } L 16.713, 79.800, 10.381
{ ca  cys b 47 } L 17.002, 80.219, 6.592
{ ca  val b 48 } L 19.729, 82.524, 5.380
{ ca  asn b 49 } L 20.687, 82.435, 1.734
{ ca  gly b 50 } L 18.219, 79.697, 0.868
{ ca  val b 51 } L 19.629, 77.112, 3.310
{ ca  cys b 52 } L 18.069, 75.826, 6.591
{ ca  trp b 53 } L 20.892, 76.389, 9.114
{ ca  thr b 54 } L 20.769, 74.817, 12.602
{ ca  val b 55 } L 23.064, 73.633, 15.455
{ ca  tyr b 56 } L 24.804, 70.269, 15.375
{ ca  his b 57 } L 24.092, 69.408, 18.984
{ ca  gly b 58 } L 20.351, 69.530, 18.341
{ ca  ala b 59 } L 20.151, 67.973, 14.880
{ ca  gly b 60 } L 23.248, 65.862, 14.734
{ ca  ser b 61 } L 23.250, 64.367, 11.248
{ ca  lys b 62 } L 19.555, 63.688, 10.879
{ ca  thr b 63 } L 17.639, 64.528, 7.696
{ ca  leu b 64 } L 14.784, 67.056, 7.604
{ ca  ala b 65 } L 11.290, 65.781, 6.762
{ ca  gly b 66 } L 10.496, 67.217, 3.365
{ ca  pro b 67 } L 7.803, 67.572, 0.618
{ ca  lys b 68 } L 9.529, 64.865, -1.388
{ ca  gly b 69 } L 10.931, 62.929, 1.562
{ ca  pro b 70 } L 13.914, 63.389, 3.876
{ ca  ile b 71 } L 16.365, 66.130, 2.899
{ ca  thr b 72 } L 19.998, 65.142, 3.609
{ ca  gln b 73 } L 22.237, 67.780, 5.241
{ ca  met b 74 } L 23.963, 69.813, 2.599
{ ca  tyr b 75 } L 26.397, 71.505, 4.936
{ ca  thr b 76 } L 27.948, 70.137, 8.118
{ ca  asn b 77 } L 30.516, 72.195, 10.062
{ ca  val b 78 } L 30.768, 70.169, 13.306
{ ca  asp b 79 } L 33.586, 72.213, 14.867
{ ca  gln b 80 } L 31.376, 75.312, 14.780
{ ca  asp b 81 } L 28.258, 73.329, 15.859
{ ca  leu b 82 } L 26.591, 74.033, 12.525
{ ca  val b 83 } L 24.487, 71.894, 10.183
{ ca  gly b 84 } L 22.487, 73.160, 7.191
{ ca  trp b 85 } L 19.865, 71.616, 4.886
{ ca  gln b 86 } L 18.894, 72.878, 1.407
{ ca  ala b 87 } L 15.889, 75.167, 2.047
{ ca  pro b 88 } L 12.460, 73.689, 1.196
{ ca  pro b 89 } L 9.817, 75.668, -0.849
{ ca  gly b 90 } L 7.821, 78.434, 0.788
{ ca  ala b 91 } L 10.748, 79.548, 2.910
{ ca  arg b 92 } L 11.275, 83.285, 3.072
{ ca  ser b 93 } L 15.076, 83.235, 3.452
{ ca  leu b 94 } L 16.928, 86.047, 5.239
{ ca  thr b 95 } L 19.919, 87.874, 3.670
{ ca  pro b 96 } L 23.285, 88.160, 5.508
{ ca  cys b 97 } L 24.688, 91.359, 7.043
{ ca  thr b 98 } L 27.386, 91.956, 9.682
{ ca  cys b 99 } L 27.731, 95.667, 8.926
{ ca  gly b 100 } L 29.746, 97.005, 11.865
{ ca  ser b 101 } L 26.610, 97.356, 13.951
{ ca  ser b 102 } L 26.852, 96.278, 17.536
{ ca  asp b 103 } L 23.122, 96.406, 18.032
{ ca  leu b 104 } L 21.660, 92.957, 17.650
{ ca  tyr b 105 } L 18.291, 91.385, 18.463
{ ca  leu b 106 } L 18.026, 87.714, 19.520
{ ca  val b 107 } L 14.666, 86.174, 18.588
{ ca  thr b 108 } L 13.666, 83.262, 20.817
{ ca  arg b 109 } L 11.402, 80.221, 20.190
{ ca  his b 110 } L 8.343, 81.813, 21.876
{ ca  ala b 111 } L 8.953, 84.960, 19.878
{ ca  asp b 112 } L 10.604, 87.649, 21.996
{ ca  val b 113 } L 13.162, 89.904, 20.311
{ ca  ile b 114 } L 15.797, 90.788, 22.895
{ ca  pro b 115 } L 18.700, 93.288, 22.499
{ ca  val b 116 } L 22.189, 91.829, 22.360
{ ca  arg b 117 } L 25.077, 94.261, 22.148
{ ca  arg b 118 } L 27.692, 92.682, 19.896
{ ca  arg b 119 } L 30.805, 92.298, 22.020
{ ca  gly b 120 } L 32.926, 90.394, 19.473
{ ca  asp b 121 } L 32.533, 88.191, 16.395
{ ca  ser b 122 } L 30.702, 85.389, 18.229
{ ca  arg b 123 } L 30.188, 87.282, 21.485
{ ca  gly b 124 } L 27.283, 89.507, 22.552
{ ca  ser b 125 } L 26.308, 90.778, 26.018
{ ca  leu b 126 } L 22.619, 91.167, 26.891
{ ca  leu b 127 } L 21.088, 94.370, 28.274
{ ca  ser b 128 } L 18.333, 92.566, 30.148
{ ca  pro b 129 } L 19.709, 89.452, 31.916
{ ca  arg b 130 } L 17.400, 86.385, 32.000
{ ca  pro b 131 } L 17.793, 82.970, 33.610
{ ca  val b 132 } L 19.439, 80.157, 31.582
{ ca  ser b 133 } L 15.915, 78.788, 31.707
{ ca  tyr b 134 } L 14.681, 81.575, 29.381
{ ca  leu b 135 } L 16.742, 80.536, 26.300
{ ca  lys b 136 } L 16.084, 76.751, 26.300
{ ca  gly b 137 } L 14.951, 75.581, 22.883
{ ca  ser b 138 } L 16.201, 78.732, 21.109
{ ca  ser b 139 } L 19.512, 77.314, 19.969
{ ca  gly b 140 } L 19.678, 77.762, 16.217
{ ca  gly b 141 } L 17.774, 81.052, 16.416
{ ca  pro b 142 } L 18.946, 84.105, 14.410
{ ca  leu b 143 } L 20.611, 87.299, 15.598
{ ca  leu b 144 } L 19.083, 90.271, 13.788
{ ca  cys b 145 } L 20.648, 93.687, 13.390
{ ca  pro b 146 } L 18.127, 96.602, 13.121
{ ca  ser b 147 } L 17.829, 96.321, 9.301
{ ca  gly b 148 } L 16.281, 92.843, 9.547
{ ca  his b 149 } L 19.314, 91.121, 8.047
{ ca  ala b 150 } L 20.932, 88.080, 9.721
{ ca  val b 151 } L 24.300, 88.489, 11.456
{ ca  gly b 152 } L 24.513, 84.936, 12.862
{ ca  ile b 153 } L 23.006, 81.784, 14.438
{ ca  phe b 154 } L 22.668, 81.626, 18.259
{ ca  arg b 155 } L 24.450, 78.664, 19.762
{ ca  ala b 156 } L 23.989, 78.863, 23.529
{ ca  ala b 157 } L 23.801, 81.270, 26.452
{ ca  val b 158 } L 26.998, 82.448, 28.103
{ ca  cys b 159 } L 25.842, 82.065, 31.703
{ ca  thr b 160 } L 27.343, 82.741, 35.160
{ ca  arg b 161 } L 26.135, 80.429, 38.024
{ ca  gly b 162 } L 22.433, 81.096, 37.544
{ ca  val b 163 } L 21.718, 83.804, 34.986
{ ca  ala b 164 } L 22.603, 84.248, 31.321
{ ca  lys b 165 } L 24.919, 87.213, 30.634
{ ca  ala b 166 } L 26.058, 86.835, 27.072
{ ca  val b 167 } L 25.491, 84.727, 23.934
{ ca  asp b 168 } L 27.868, 82.824, 21.717
{ ca  phe b 169 } L 26.923, 82.725, 18.041
{ ca  val b 170 } L 28.178, 81.229, 14.788
{ ca  pro b 171 } L 28.658, 84.340, 12.712
{ ca  val b 172 } L 27.019, 84.628, 9.295
{ ca  glu b 173 } L 30.492, 85.123, 7.707
{ ca  ser b 174 } L 31.525, 81.675, 8.922
{ ca  met b 175 } L 28.380, 80.183, 7.371
{ ca  glu b 176 } L 29.394, 81.891, 4.110
{ ca  thr b 177 } L 32.894, 80.381, 4.182
{ ca  thr b 178 } L 31.544, 76.948, 5.046
{ ca  met b 179 } L 29.432, 77.143, 1.876
{ ca  arg b 180 } L 32.757, 77.321, 0.007
@group {1NS3 3} 
@subgroup {mainchain} 
@vectorlist {Calphas} color= greentint  
{ ca  lys c 220 } P 6.186, 62.616, 36.228 { ca  lys c 220 } L 6.186, 62.616, 36.228
{ ca  gly c 221 } L 7.786, 59.338, 35.162
{ ca  ser c 222 } L 10.970, 57.347, 34.728
{ ca  val c 223 } L 14.223, 57.865, 32.772
{ ca  val c 224 } L 13.998, 55.878, 29.481
{ ca  ile c 225 } L 16.902, 54.569, 27.376
{ ca  val c 226 } L 16.270, 56.189, 24.049
{ ca  gly c 227 } L 19.126, 54.865, 21.909
{ ca  arg c 228 } L 22.730, 53.664, 22.189
{ ca  ile c 229 } L 26.312, 54.338, 21.250
{ ca  ile c 230 } L 28.351, 51.268, 20.282
{ ca  leu c 231 } L 32.064, 51.728, 20.938
{ ca  ser c 232 } L 34.812, 50.277, 18.733
@group {1NS3 4} 
@subgroup {mainchain} 
@vectorlist {Calphas} color= pinktint  
{ ca  lys d 220 } P 16.514, 57.047, 11.091 { ca  lys d 220 } L 16.514, 57.047, 11.091
{ ca  gly d 221 } L 13.963, 59.465, 12.521
{ ca  ser d 222 } L 13.903, 62.896, 10.915
{ ca  val d 223 } L 13.945, 66.442, 12.280
{ ca  val d 224 } L 10.474, 67.955, 11.736
{ ca  ile d 225 } L 9.246, 71.558, 11.374
{ ca  val d 226 } L 6.639, 72.006, 14.061
{ ca  gly d 227 } L 5.727, 75.647, 13.622
{ ca  arg d 228 } L 7.245, 78.914, 12.575
{ ca  ile d 229 } L 8.292, 82.309, 13.854
{ ca  ile d 230 } L 7.214, 85.028, 11.412
{ ca  leu d 231 } L 9.322, 88.182, 11.499
{ ca  ser d 232 } L 7.711, 91.599, 11.074
@group {1NS3 5} 
@subgroup {het groups} 
@spherelist {het M} color= gray  radius= 0.5 
{Zn    zn   190 } 43.603, 52.061, 30.977
{Zn    zn   690 } 22.579, 94.906, 8.828
@vectorlist {het} color= pink  
{Zn    zn   190 } P 43.603, 52.061, 30.977 {Zn    zn   190 } L 43.603, 52.061, 30.977
{Zn    zn   690 } P 22.579, 94.906, 8.828 {Zn    zn   690 } L 22.579, 94.906, 8.82
@labellist {drawn}color=green
{ ca  arg a 109 } L 26.200, 61.951, 22.368
{ ca  arg b 119 } L 30.805, 92.298, 22.020
{ ca  lys b 136 } L 16.084, 76.751, 26.300
{ ca  arg b 161 } L 26.135, 80.429, 38.024
{ ca  lys b 165 } L 24.919, 87.213, 30.634

@text 
 coordinates from file: C:\mydocs\biomol\sumana\1NS3.pdb 
HEADER    COMPLEX (HYDROLASE/PEPTIDE)             05-APR-97   1NS3              
TITLE     STRUCTURE OF HCV PROTEASE (BK STRAIN)                                 
KEYWDS    HYDROLASE, SERINE PROTEINASE, COMPLEX (HYDROLASE/PEPTIDE)             
AUTHOR    Y.YAN,S.MUNSHI,Z.CHEN                                                 

@kinemage 2
@caption
Showing the residue of the protease -His 57, Asp79, and Ser139 in the catalytic triad. (in green).


@onewidth
@zoom 1.63
@zslab 200
@ztran 0
@center 24.584 69.895 24.289
@matrix
0.914356 -0.040124 -0.402918 0.125267 0.974293 0.187249 0.385047 -0.221684 0.895877
@master {edge}
@master {coil}
@group {1NS3 1}
@subgroup {mainchain}
@vectorlist {mc} color= white off
{ n   ile a 3 }P 39.757 55.248 19.254
{"}39.757 55.248 19.254
{ ca  ile a 3 }38.511 54.432 19.373
{ c   ile a 3 }37.480 55.082 18.462
{ o   ile a 3 }37.656 56.226 18.055
{ c   ile a 3 }P 37.480 55.082 18.462
{ n   thr a 4 }36.406 54.369 18.170
{ ca  thr a 4 }35.339 54.883 17.325
{ c   thr a 4 }34.030 54.359 17.888
{ o   thr a 4 }34.019 53.319 18.533
{ c   thr a 4 }P 34.030 54.359 17.888
{ n   ala a 5 }32.930 55.051 17.626
{ ca  ala a 5 }31.626 54.632 18.128
{ c   ala a 5 }30.522 55.196 17.247
{ o   ala a 5 }30.740 56.180 16.535
{ c   ala a 5 }P 30.522 55.196 17.247
{ n   tyr a 6 }29.335 54.599 17.296
{ ca  tyr a 6 }28.234 55.101 16.487
{ c   tyr a 6 }26.918 55.083 17.243
{ o   tyr a 6 }26.710 54.235 18.118
{ c   tyr a 6 }P 26.918 55.083 17.243
{ n   ser a 7 }26.057 56.048 16.922
{ ca  ser a 7 }24.745 56.194 17.546
{ c   ser a 7 }23.725 55.236 16.946
{ o   ser a 7 }23.851 54.804 15.814
{ c   ser a 7 }P 23.725 55.236 16.946
{ n   gln a 8 }22.663 54.975 17.688
{ ca  gln a 8 }21.619 54.070 17.241
{ c   gln a 8 }20.333 54.355 18.017
{ o   gln a 8 }20.200 53.974 19.168
{ c   gln a 8 }P 20.333 54.355 18.017
{ n   gln a 9 }19.407 55.060 17.380
{ ca  gln a 9 }18.139 55.422 18.000
{ c   gln a 9 }17.341 54.163 18.228
{ o   gln a 9 }17.311 53.292 17.365
{ c   gln a 9 }P 17.341 54.163 18.228
{ n   thr a 10 }16.704 54.053 19.384
{ ca  thr a 10 }15.921 52.868 19.669
{ c   thr a 10 }14.466 53.187 19.977
{ o   thr a 10 }13.656 52.275 20.066
{ c   thr a 10 }P 14.466 53.187 19.977
{ n   arg a 11 }14.134 54.469 20.136
{ ca  arg a 11 }12.765 54.881 20.416
{ c   arg a 11 }12.515 56.267 19.873
{ o   arg a 11 }13.451 57.029 19.657
{ c   arg a 11 }P 12.515 56.267 19.873
{ n   gly a 12 }11.235 56.589 19.703
{ ca  gly a 12 }10.830 57.897 19.235
{ c   gly a 12 }10.071 58.554 20.369
{ o   gly a 12 }9.983 57.970 21.434
{ c   gly a 12 }P 10.071 58.554 20.369
{ n   leu a 13 }9.462 59.718 20.168
{ ca  leu a 13 }8.757 60.361 21.279
{ c   leu a 13 }7.651 59.552 21.915
{ o   leu a 13 }7.593 59.471 23.124
{ c   leu a 13 }P 7.651 59.552 21.915
{ n   leu a 14 }6.829 58.895 21.108
{ ca  leu a 14 }5.686 58.092 21.583
{ c   leu a 14 }6.042 56.894 22.473
{ o   leu a 14 }5.226 56.435 23.259
{ c   leu a 14 }P 6.042 56.894 22.473
{ n   gly a 15 }7.244 56.363 22.316
{ ca  gly a 15 }7.660 55.228 23.103
{ c   gly a 15 }8.328 55.727 24.353
{ o   gly a 15 }8.205 55.076 25.388
{ c   gly a 15 }P 8.328 55.727 24.353
{ n   cys a 16 }9.063 56.844 24.271
{ ca  cys a 16 }9.714 57.391 25.467
{ c   cys a 16 }8.548 57.626 26.400
{ o   cys a 16 }8.509 57.064 27.498
{ c   cys a 16 }P 8.548 57.626 26.400
{ n   ile a 17 }7.538 58.325 25.876
{ ca  ile a 17 }6.350 58.689 26.635
{ c   ile a 17 }5.728 57.497 27.341
{ o   ile a 17 }5.724 57.430 28.582
{ c   ile a 17 }P 5.728 57.497 27.341
{ n   ile a 18 }5.273 56.534 26.548
{ ca  ile a 18 }4.647 55.341 27.073
{ c   ile a 18 }5.546 54.621 28.049
{ o   ile a 18 }5.088 54.217 29.096
{ c   ile a 18 }P 5.546 54.621 28.049
{ n   thr a 19 }6.823 54.482 27.728
{ ca  thr a 19 }7.745 53.805 28.625
{ c   thr a 19 }8.070 54.642 29.865
{ o   thr a 19 }8.589 54.122 30.851
{ c   thr a 19 }P 8.070 54.642 29.865
{ n   ser a 20 }7.755 55.929 29.832
{ ca  ser a 20 }8.009 56.793 30.973
{ c   ser a 20 }6.911 56.631 32.021
{ o   ser a 20 }7.176 56.751 33.222
{ c   ser a 20 }P 6.911 56.631 32.021
{ n   leu a 21 }5.687 56.372 31.560
{ ca  leu a 21 }4.541 56.199 32.443
{ c   leu a 21 }4.335 54.764 32.921
{ o   leu a 21 }3.826 54.552 34.014
{ c   leu a 21 }P 4.335 54.764 32.921
{ n   thr a 22 }4.699 53.768 32.129
{ ca  thr a 22 }4.504 52.411 32.585
{ c   thr a 22 }5.734 51.922 33.322
{ o   thr a 22 }5.707 50.927 34.027
{ c   thr a 22 }P 5.734 51.922 33.322
{ n   gly a 23 }6.826 52.644 33.179
{ ca  gly a 23 }8.041 52.260 33.868
{ c   gly a 23 }8.696 51.008 33.347
{ o   gly a 23 }9.827 50.740 33.702
{ c   gly a 23 }P 8.696 51.008 33.347
{ n   arg a 24 }8.025 50.236 32.500
{ ca  arg a 24 }8.660 49.019 31.996
{ c   arg a 24 }9.198 49.041 30.564
{ o   arg a 24 }8.455 49.160 29.593
{ c   arg a 24 }P 9.198 49.041 30.564
{ n   asp a 25 }10.512 48.888 30.473
{ ca  asp a 25 }11.274 48.902 29.236
{ c   asp a 25 }11.416 47.477 28.754
{ o   asp a 25 }12.221 46.716 29.279
{ c   asp a 25 }P 11.416 47.477 28.754
{ n   lys a 26 }10.663 47.126 27.720
{ ca  lys a 26 }10.705 45.775 27.180
{ c   lys a 26 }11.696 45.652 26.034
{ o   lys a 26 }11.420 44.957 25.065
{ c   lys a 26 }P 11.696 45.652 26.034
{ n   asn a 27 }12.829 46.343 26.103
{ ca  asn a 27 }13.813 46.281 25.024
{ c   asn a 27 }15.176 45.754 25.440
{ o   asn a 27 }15.638 45.967 26.564
{ c   asn a 27 }P 15.176 45.754 25.440
{ n   gln a 28 }15.834 45.099 24.493
{ ca  gln a 28 }17.148 44.528 24.711
{ c   gln a 28 }18.142 45.668 24.835
{ o   gln a 28 }18.181 46.552 23.984
{ c   gln a 28 }P 18.142 45.668 24.835
{ n   val a 29 }18.926 45.681 25.898
{ ca  val a 29 }19.929 46.725 26.045
{ c   val a 29 }21.173 46.186 25.322
{ o   val a 29 }21.429 44.973 25.325
{ c   val a 29 }P 21.173 46.186 25.322
{ n   glu a 30 }21.905 47.079 24.712
{ ca  glu a 30 }23.142 46.745 23.977
{ c   glu a 30 }24.064 47.954 24.047
{ o   glu a 30 }23.642 49.047 24.425
{ c   glu a 30 }P 24.064 47.954 24.047
{ n   gly a 31 }25.310 47.760 23.677
{ ca  gly a 31 }26.301 48.850 23.732
{ c   gly a 31 }26.746 49.010 25.186
{ o   gly a 31 }26.413 48.187 26.044
{ c   gly a 31 }P 26.746 49.010 25.186
{ n   glu a 32 }27.492 50.066 25.463
{ ca  glu a 32 }27.988 50.308 26.835
{ c   glu a 32 }27.475 51.646 27.379
{ o   glu a 32 }27.181 51.782 28.574
{ c   glu a 32 }P 27.475 51.646 27.379
{ n   val a 33 }27.382 52.619 26.503
{ ca  val a 33 }26.853 53.936 26.869
{ c   val a 33 }25.517 54.091 26.146
{ o   val a 33 }25.431 53.955 24.923
{ c   val a 33 }P 25.517 54.091 26.146
{ n   gln a 34 }24.489 54.344 26.921
{ ca  gln a 34 }23.139 54.533 26.381
{ c   gln a 34 }22.809 56.026 26.392
{ o   gln a 34 }23.440 56.797 27.129
{ c   gln a 34 }P 22.809 56.026 26.392
{ n   val a 35 }21.850 56.439 25.564
{ ca  val a 35 }21.430 57.830 25.552
{ c   val a 35 }20.031 57.740 26.123
{ o   val a 35 }19.197 56.983 25.610
{ c   val a 35 }P 20.031 57.740 26.123
{ n   val a 36 }19.832 58.414 27.257
{ ca  val a 36 }18.569 58.369 27.983
{ c   val a 36 }17.792 59.670 27.928
{ o   val a 36 }18.318 60.696 27.486
{ c   val a 36 }P 17.792 59.670 27.928
{ n   ser a 37 }16.539 59.642 28.363
{ ca  ser a 37 }15.742 60.848 28.305
{ c   ser a 37 }14.716 60.907 29.414
{ o   ser a 37 }14.357 59.894 30.000
{ c   ser a 37 }P 14.716 60.907 29.414
{ n   thr a 38 }14.265 62.119 29.687
{ ca  thr a 38 }13.234 62.414 30.658
{ c   thr a 38 }12.280 63.319 29.857
{ o   thr a 38 }12.484 63.533 28.661
{ c   thr a 38 }P 12.280 63.319 29.857
{ n   ala a 39 }11.300 63.932 30.512
{ ca  ala a 39 }10.355 64.794 29.801
{ c   ala a 39 }10.938 66.123 29.398
{ o   ala a 39 }10.415 66.782 28.506
{ c   ala a 39 }P 10.938 66.123 29.398
{ n   thr a 40 }11.963 66.566 30.109
{ ca  thr a 40 }12.570 67.839 29.778
{ c   thr a 40 }14.076 67.737 29.509
{ o   thr a 40 }14.776 68.766 29.531
{ c   thr a 40 }P 14.076 67.737 29.509
{ n   gln a 41 }14.595 66.539 29.231
{ ca  gln a 41 }16.021 66.463 29.004
{ c   gln a 41 }16.534 65.154 28.436
{ o   gln a 41 }15.904 64.128 28.609
{ c   gln a 41 }P 16.534 65.154 28.436
{ n   ser a 42 }17.694 65.192 27.785
{ ca  ser a 42 }18.320 63.995 27.255
{ c   ser a 42 }19.805 64.182 27.446
{ o   ser a 42 }20.336 65.255 27.193
{ c   ser a 42 }P 19.805 64.182 27.446
{ n   phe a 43 }20.458 63.124 27.912
{ ca  phe a 43 }21.886 63.109 28.223
{ c   phe a 43 }22.340 61.670 28.050
{ o   phe a 43 }21.621 60.844 27.482
{ c   phe a 43 }P 22.340 61.670 28.050
{ n   leu a 44 }23.499 61.338 28.582
{ ca  leu a 44 }23.991 59.971 28.431
{ c   leu a 44 }24.149 59.279 29.768
{ o   leu a 44 }24.084 59.911 30.814
{ c   leu a 44 }P 24.149 59.279 29.768
{ n   ala a 45 }24.364 57.977 29.718
{ ca  ala a 45 }24.543 57.174 30.917
{ c   ala a 45 }25.414 56.026 30.448
{ o   ala a 45 }25.215 55.525 29.340
{ c   ala a 45 }P 25.414 56.026 30.448
{ n   thr a 46 }26.404 55.643 31.256
{ ca  thr a 46 }27.325 54.570 30.874
{ c   thr a 46 }27.470 53.497 31.969
{ o   thr a 46 }27.322 53.798 33.158
{ c   thr a 46 }P 27.470 53.497 31.969
{ n   cys a 47 }27.692 52.243 31.566
{ ca  cys a 47 }27.804 51.133 32.515
{ c   cys a 47 }29.208 50.740 32.862
{ o   cys a 47 }29.879 50.120 32.045
{ c   cys a 47 }P 29.208 50.740 32.862
{ n   val a 48 }29.635 51.088 34.079
{ ca  val a 48 }30.956 50.756 34.606
{ c   val a 48 }30.673 49.858 35.814
{ o   val a 48 }29.799 50.174 36.634
{ c   val a 48 }P 30.673 49.858 35.814
{ n   asn a 49 }31.353 48.709 35.876
{ ca  asn a 49 }31.207 47.733 36.972
{ c   asn a 49 }29.802 47.211 37.212
{ o   asn a 49 }29.399 47.047 38.369
{ c   asn a 49 }P 29.802 47.211 37.212
{ n   gly a 50 }29.056 46.960 36.138
{ ca  gly a 50 }27.704 46.434 36.272
{ c   gly a 50 }26.632 47.389 36.767
{ o   gly a 50 }25.529 46.944 37.095
{ c   gly a 50 }P 26.632 47.389 36.767
{ n   val a 51 }26.925 48.692 36.795
{ ca  val a 51 }25.952 49.702 37.245
{ c   val a 51 }25.890 50.909 36.297
{ o   val a 51 }26.925 51.492 35.967
{ c   val a 51 }P 25.890 50.909 36.297
{ n   cys a 52 }24.672 51.251 35.858
{ ca  cys a 52 }24.411 52.368 34.939
{ c   cys a 52 }24.598 53.737 35.607
{ o   cys a 52 }23.697 54.214 36.284
{ c   cys a 52 }P 24.598 53.737 35.607
{ n   trp a 53 }25.757 54.365 35.433
{ ca  trp a 53 }25.995 55.681 36.031
{ c   trp a 53 }25.526 56.773 35.081
{ o   trp a 53 }25.509 56.574 33.860
{ c   trp a 53 }P 25.526 56.773 35.081
{ n   thr a 54 }25.102 57.905 35.635
{ ca  thr a 54 }24.702 59.060 34.842
{ c   thr a 54 }24.969 60.216 35.774
{ o   thr a 54 }25.612 60.012 36.799
{ c   thr a 54 }P 24.969 60.216 35.774
{ n   val a 55 }24.538 61.423 35.407
{ ca  val a 55 }24.767 62.593 36.245
{ c   val a 55 }23.520 62.956 36.988
{ o   val a 55 }22.412 62.774 36.477
{ c   val a 55 }P 23.520 62.956 36.988
{ n   tyr a 56 }23.701 63.526 38.171
{ ca  tyr a 56 }22.568 63.896 39.012
{ c   tyr a 56 }21.735 65.021 38.432
{ o   tyr a 56 }20.524 65.001 38.565
{ c   tyr a 56 }P 21.735 65.021 38.432
{ n   his a 57 }22.366 65.989 37.776
{ ca  his a 57 }21.614 67.107 37.203
{ c   his a 57 }20.745 66.699 35.999
{ o   his a 57 }20.057 67.534 35.420
{ c   his a 57 }P 20.745 66.699 35.999
{ n   gly a 58 }20.818 65.435 35.597
{ ca  gly a 58 }20.011 64.968 34.499
{ c   gly a 58 }18.940 64.074 35.084
{ o   gly a 58 }17.770 64.456 35.181
{ c   gly a 58 }P 18.940 64.074 35.084
{ n   ala a 59 }19.358 62.906 35.561
{ ca  ala a 59 }18.438 61.922 36.128
{ c   ala a 59 }17.750 62.389 37.384
{ o   ala a 59 }16.557 62.166 37.573
{ c   ala a 59 }P 17.750 62.389 37.384
{ n   gly a 60 }18.515 63.044 38.244
{ ca  gly a 60 }17.970 63.501 39.497
{ c   gly a 60 }17.795 62.269 40.359
{ o   gly a 60 }18.762 61.553 40.607
{ c   gly a 60 }P 17.795 62.269 40.359
{ n   ser a 61 }16.559 61.970 40.743
{ ca  ser a 61 }16.291 60.817 41.587
{ c   ser a 61 }15.240 59.894 40.966
{ o   ser a 61 }14.664 59.043 41.650
{ c   ser a 61 }P 15.240 59.894 40.966
{ n   lys a 62 }14.995 60.055 39.674
{ ca  lys a 62 }14.015 59.244 38.975
{ c   lys a 62 }14.477 57.799 38.810
{ o   lys a 62 }15.676 57.487 38.926
{ c   lys a 62 }P 14.477 57.799 38.810
{ n   thr a 63 }13.517 56.917 38.558
{ ca  thr a 63 }13.807 55.511 38.344
{ c   thr a 63 }14.172 55.371 36.883
{ o   thr a 63 }13.943 56.285 36.105
{ c   thr a 63 }P 14.172 55.371 36.883
{ n   leu a 64 }14.715 54.223 36.508
{ ca  leu a 64 }15.078 53.953 35.121
{ c   leu a 64 }14.089 52.892 34.674
{ o   leu a 64 }14.021 51.843 35.306
{ c   leu a 64 }P 14.089 52.892 34.674
{ n   ala a 65 }13.319 53.146 33.618
{ ca  ala a 65 }12.358 52.158 33.171
{ c   ala a 65 }13.120 50.883 32.922
{ o   ala a 65 }14.192 50.932 32.337
{ c   ala a 65 }P 13.120 50.883 32.922
{ n   gly a 66 }12.607 49.753 33.383
{ ca  gly a 66 }13.326 48.513 33.192
{ c   gly a 66 }12.383 47.398 32.805
{ o   gly a 66 }11.167 47.611 32.776
{ c   gly a 66 }P 12.383 47.398 32.805
{ n   pro a 67 }12.907 46.197 32.481
{ ca  pro a 67 }12.108 45.029 32.083
{ c   pro a 67 }11.023 44.512 33.028
{ o   pro a 67 }10.010 43.991 32.571
{ c   pro a 67 }P 11.023 44.512 33.028
{ n   lys a 68 }11.188 44.644 34.335
{ ca  lys a 68 }10.124 44.155 35.206
{ c   lys a 68 }9.328 45.326 35.782
{ o   lys a 68 }8.293 45.132 36.407
{ c   lys a 68 }P 9.328 45.326 35.782
{ n   gly a 69 }9.803 46.539 35.547
{ ca  gly a 69 }9.138 47.726 36.058
{ c   gly a 69 }10.261 48.721 36.248
{ o   gly a 69 }11.392 48.405 35.881
{ c   gly a 69 }P 10.261 48.721 36.248
{ n   pro a 70 }10.032 49.890 36.851
{ ca  pro a 70 }11.114 50.855 37.032
{ c   pro a 70 }12.171 50.398 38.012
{ o   pro a 70 }11.855 49.780 38.999
{ c   pro a 70 }P 12.171 50.398 38.012
{ n   ile a 71 }13.423 50.723 37.751
{ ca  ile a 71 }14.533 50.368 38.624
{ c   ile a 71 }14.797 51.563 39.551
{ o   ile a 71 }14.752 52.690 39.090
{ c   ile a 71 }P 14.797 51.563 39.551
{ n   thr a 72 }15.034 51.334 40.847
{ ca  thr a 72 }15.300 52.434 41.782
{ c   thr a 72 }16.812 52.713 41.917
{ o   thr a 72 }17.643 51.807 41.770
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{ o   val a 158 }35.908 75.231 29.952
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{ n   thr b 19 }5.225 62.209 10.913
{ ca  thr b 19 }6.100 62.908 9.983
{ c   thr b 19 }7.563 62.530 10.171
{ o   thr b 19 }8.320 62.515 9.217
{ c   thr b 19 }P 7.563 62.530 10.171
{ n   ser b 20 }7.964 62.255 11.401
{ ca  ser b 20 }9.342 61.912 11.708
{ c   ser b 20 }9.677 60.463 11.328
{ o   ser b 20 }10.854 60.097 11.202
{ c   ser b 20 }P 9.677 60.463 11.328
{ n   leu b 21 }8.641 59.642 11.181
{ ca  leu b 21 }8.780 58.230 10.821
{ c   leu b 21 }8.885 58.142 9.290
{ o   leu b 21 }9.824 57.565 8.759
{ c   leu b 21 }P 8.885 58.142 9.290
{ n   thr b 22 }7.889 58.702 8.602
{ ca  thr b 22 }7.829 58.705 7.150
{ c   thr b 22 }8.917 59.592 6.570
{ o   thr b 22 }9.421 59.352 5.484
{ c   thr b 22 }P 8.917 59.592 6.570
{ n   gly b 23 }9.259 60.645 7.286
{ ca  gly b 23 }10.305 61.529 6.824
{ c   gly b 23 }9.802 62.417 5.719
{ o   gly b 23 }10.581 63.131 5.093
{ c   gly b 23 }P 9.802 62.417 5.719
{ n   arg b 24 }8.499 62.398 5.476
{ ca  arg b 24 }7.957 63.243 4.421
{ c   arg b 24 }6.891 64.200 4.935
{ o   arg b 24 }5.831 63.796 5.390
{ c   arg b 24 }P 6.891 64.200 4.935
{ n   asp b 25 }7.237 65.476 4.928
{ ca  asp b 25 }6.363 66.536 5.421
{ c   asp b 25 }5.638 67.230 4.281
{ o   asp b 25 }6.222 67.967 3.492
{ c   asp b 25 }P 5.638 67.230 4.281
{ n   lys b 26 }4.354 66.942 4.188
{ ca  lys b 26 }3.510 67.524 3.179
{ c   lys b 26 }3.213 69.013 3.441
{ o   lys b 26 }3.019 69.765 2.497
{ c   lys b 26 }P 3.213 69.013 3.441
{ n   asn b 27 }3.183 69.448 4.699
{ ca  asn b 27 }2.887 70.851 5.019
{ c   asn b 27 }3.808 71.769 4.213
{ o   asn b 27 }4.700 71.282 3.535
{ c   asn b 27 }P 3.808 71.769 4.213
{ n   gln b 28 }3.619 73.081 4.272
{ ca  gln b 28 }4.521 73.947 3.516
{ c   gln b 28 }5.313 74.918 4.379
{ o   gln b 28 }4.754 75.532 5.280
{ c   gln b 28 }P 5.313 74.918 4.379
{ n   val b 29 }6.605 75.059 4.100
{ ca  val b 29 }7.463 75.971 4.841
{ c   val b 29 }6.982 77.410 4.636
{ o   val b 29 }6.436 77.746 3.589
{ c   val b 29 }P 6.982 77.410 4.636
{ n   glu b 30 }7.194 78.256 5.638
{ ca  glu b 30 }6.776 79.659 5.593
{ c   glu b 30 }7.406 80.406 6.776
{ o   glu b 30 }7.344 79.939 7.917
{ c   glu b 30 }P 7.406 80.406 6.776
{ n   gly b 31 }7.951 81.585 6.512
{ ca  gly b 31 }8.599 82.337 7.562
{ c   gly b 31 }10.095 82.144 7.406
{ o   gly b 31 }10.534 81.267 6.648
{ c   gly b 31 }P 10.095 82.144 7.406
{ n   glu b 32 }10.865 82.980 8.102
{ ca  glu b 32 }12.324 82.956 8.060
{ c   glu b 32 }12.888 81.901 8.984
{ o   glu b 32 }13.838 81.194 8.624
{ c   glu b 32 }P 12.888 81.901 8.984
{ n   val b 33 }12.337 81.848 10.201
{ ca  val b 33 }12.766 80.886 11.224
{ c   val b 33 }11.662 79.882 11.574
{ o   val b 33 }10.566 80.259 11.961
{ c   val b 33 }P 11.662 79.882 11.574
{ n   gln b 34 }11.951 78.606 11.349
{ ca  gln b 34 }11.019 77.520 11.632
{ c   gln b 34 }11.418 76.930 12.971
{ o   gln b 34 }12.596 77.005 13.346
{ c   gln b 34 }P 11.418 76.930 12.971
{ n   val b 35 }10.467 76.333 13.682
{ ca  val b 35 }10.794 75.708 14.956
{ c   val b 35 }10.725 74.208 14.730
{ o   val b 35 }9.664 73.661 14.468
{ c   val b 35 }P 10.725 74.208 14.730
{ n   val b 36 }11.894 73.571 14.746
{ ca  val b 36 }12.041 72.140 14.512
{ c   val b 36 }12.048 71.303 15.790
{ o   val b 36 }12.149 71.833 16.896
{ c   val b 36 }P 12.048 71.303 15.790
{ n   ser b 37 }11.977 69.987 15.630
{ ca  ser b 37 }11.971 69.092 16.760
{ c   ser b 37 }12.281 67.649 16.418
{ o   ser b 37 }11.853 67.122 15.399
{ c   ser b 37 }P 12.281 67.649 16.418
{ n   thr b 38 }12.991 67.007 17.333
{ ca  thr b 38 }13.357 65.603 17.231
{ c   thr b 38 }12.661 64.940 18.433
{ o   thr b 38 }11.848 65.583 19.105
{ c   thr b 38 }P 12.661 64.940 18.433
{ n   ala b 39 }12.972 63.681 18.716
{ ca  ala b 39 }12.340 62.978 19.832
{ c   ala b 39 }12.689 63.567 21.196
{ o   ala b 39 }11.804 63.845 21.997
{ c   ala b 39 }P 12.689 63.567 21.196
{ n   thr b 40 }13.976 63.761 21.449
{ ca  thr b 40 }14.427 64.304 22.711
{ c   thr b 40 }14.463 65.806 22.795
{ o   thr b 40 }14.243 66.350 23.862
{ c   thr b 40 }P 14.463 65.806 22.795
{ n   gln b 41 }14.795 66.502 21.721
{ ca  gln b 41 }14.819 67.963 21.829
{ c   gln b 41 }14.119 68.798 20.752
{ o   gln b 41 }13.767 68.303 19.689
{ c   gln b 41 }P 14.119 68.798 20.752
{ n   ser b 42 }13.828 70.045 21.104
{ ca  ser b 42 }13.198 70.998 20.204
{ c   ser b 42 }14.144 72.192 20.202
{ o   ser b 42 }14.778 72.502 21.225
{ c   ser b 42 }P 14.144 72.192 20.202
{ n   phe b 43 }14.249 72.830 19.041
{ ca  phe b 43 }15.112 73.973 18.832
{ c   phe b 43 }14.621 74.745 17.618
{ o   phe b 43 }13.481 74.567 17.170
{ c   phe b 43 }P 14.621 74.745 17.618
{ n   leu b 44 }15.459 75.618 17.101
{ ca  leu b 44 }15.057 76.407 15.975
{ c   leu b 44 }15.962 76.188 14.791
{ o   leu b 44 }17.020 75.559 14.906
{ c   leu b 44 }P 15.962 76.188 14.791
{ n   ala b 45 }15.514 76.686 13.644
{ ca  ala b 45 }16.279 76.623 12.408
{ c   ala b 45 }15.936 77.923 11.687
{ o   ala b 45 }14.785 78.390 11.744
{ c   ala b 45 }P 15.936 77.923 11.687
{ n   thr b 46 }16.944 78.556 11.099
{ ca  thr b 46 }16.713 79.800 10.381
{ c   thr b 46 }17.293 79.739 8.972
{ o   thr b 46 }18.390 79.222 8.781
{ c   thr b 46 }P 17.293 79.739 8.972
{ n   cys b 47 }16.540 80.227 7.986
{ ca  cys b 47 }17.002 80.219 6.592
{ c   cys b 47 }17.744 81.516 6.310
{ o   cys b 47 }17.277 82.621 6.633
{ c   cys b 47 }P 17.744 81.516 6.310
{ n   val b 48 }18.920 81.376 5.729
{ ca  val b 48 }19.729 82.524 5.380
{ c   val b 48 }20.389 82.067 4.116
{ o   val b 48 }21.065 81.037 4.115
{ c   val b 48 }P 20.389 82.067 4.116
{ n   asn b 49 }20.131 82.786 3.029
{ ca  asn b 49 }20.687 82.435 1.734
{ c   asn b 49 }20.165 81.089 1.255
{ o   asn b 49 }20.942 80.219 0.830
{ c   asn b 49 }P 20.165 81.089 1.255
{ n   gly b 50 }18.851 80.914 1.343
{ ca  gly b 50 }18.219 79.697 0.868
{ c   gly b 50 }18.695 78.368 1.407
{ o   gly b 50 }18.622 77.377 0.700
{ c   gly b 50 }P 18.695 78.368 1.407
{ n   val b 51 }19.181 78.345 2.646
{ ca  val b 51 }19.629 77.112 3.310
{ c   val b 51 }19.185 77.113 4.796
{ o   val b 51 }19.287 78.146 5.485
{ c   val b 51 }P 19.185 77.113 4.796
{ n   cys b 52 }18.547 76.012 5.214
{ ca  cys b 52 }18.069 75.826 6.591
{ c   cys b 52 }19.278 75.544 7.496
{ o   cys b 52 }19.824 74.447 7.461
{ c   cys b 52 }P 19.278 75.544 7.496
{ n   trp b 53 }19.753 76.556 8.220
{ ca  trp b 53 }20.892 76.389 9.114
{ c   trp b 53 }20.383 76.077 10.516
{ o   trp b 53 }19.335 76.589 10.927
{ c   trp b 53 }P 20.383 76.077 10.516
{ n   thr b 54 }21.119 75.236 11.240
{ ca  thr b 54 }20.769 74.817 12.602
{ c   thr b 54 }22.045 74.359 13.350
{ o   thr b 54 }23.128 74.296 12.763
{ c   thr b 54 }P 22.045 74.359 13.350
{ n   val b 55 }21.923 74.056 14.636
{ ca  val b 55 }23.064 73.633 15.455
{ c   val b 55 }23.252 72.121 15.517
{ o   val b 55 }22.317 71.362 15.729
{ c   val b 55 }P 23.252 72.121 15.517
{ n   tyr b 56 }24.492 71.687 15.406
{ ca  tyr b 56 }24.804 70.269 15.375
{ c   tyr b 56 }24.387 69.475 16.596
{ o   tyr b 56 }24.009 68.296 16.493
{ c   tyr b 56 }P 24.387 69.475 16.596
{ n   his b 57 }24.465 70.103 17.763
{ ca  his b 57 }24.092 69.408 18.984
{ c   his b 57 }22.624 68.994 18.958
{ o   his b 57 }22.305 67.876 19.347
{ c   his b 57 }P 22.624 68.994 18.958
{ n   gly b 58 }21.764 69.838 18.387
{ ca  gly b 58 }20.351 69.530 18.341
{ c   gly b 58 }19.949 68.610 17.210
{ o   gly b 58 }19.140 67.701 17.404
{ c   gly b 58 }P 19.949 68.610 17.210
{ n   ala b 59 }20.520 68.808 16.025
{ ca  ala b 59 }20.151 67.973 14.880
{ c   ala b 59 }21.063 66.805 14.666
{ o   ala b 59 }20.625 65.772 14.213
{ c   ala b 59 }P 21.063 66.805 14.666
{ n   gly b 60 }22.333 66.954 14.979
{ ca  gly b 60 }23.248 65.862 14.734
{ c   gly b 60 }23.484 65.703 13.230
{ o   gly b 60 }24.024 66.591 12.572
{ c   gly b 60 }P 23.484 65.703 13.230
{ n   ser b 61 }23.066 64.583 12.668
{ ca  ser b 61 }23.250 64.367 11.248
{ c   ser b 61 }21.971 63.793 10.684
{ o   ser b 61 }21.988 63.007 9.742
{ c   ser b 61 }P 21.971 63.793 10.684
{ n   lys b 62 }20.860 64.151 11.305
{ ca  lys b 62 }19.555 63.688 10.879
{ c   lys b 62 }19.152 64.430 9.613
{ o   lys b 62 }19.745 65.462 9.283
{ c   lys b 62 }P 19.152 64.430 9.613
{ n   thr b 63 }18.153 63.906 8.912
{ ca  thr b 63 }17.639 64.528 7.696
{ c   thr b 63 }16.425 65.321 8.131
{ o   thr b 63 }15.878 65.056 9.191
{ c   thr b 63 }P 16.425 65.321 8.131
{ n   leu b 64 }15.964 66.244 7.295
{ ca  leu b 64 }14.784 67.056 7.604
{ c   leu b 64 }13.624 66.394 6.879
{ o   leu b 64 }13.827 65.823 5.818
{ c   leu b 64 }P 13.624 66.394 6.879
{ n   ala b 65 }12.431 66.392 7.453
{ ca  ala b 65 }11.290 65.781 6.762
{ c   ala b 65 }10.894 66.764 5.689
{ o   ala b 65 }10.670 67.935 5.983
{ c   ala b 65 }P 10.894 66.764 5.689
{ n   gly b 66 }10.836 66.306 4.442
{ ca  gly b 66 }10.496 67.217 3.365
{ c   gly b 66 }9.362 66.811 2.450
{ o   gly b 66 }8.895 65.673 2.504
{ c   gly b 66 }P 9.362 66.811 2.450
{ n   pro b 67 }8.889 67.743 1.596
{ ca  pro b 67 }7.803 67.572 0.618
{ c   pro b 67 }8.016 66.383 -0.286
{ o   pro b 67 }7.057 65.797 -0.759
{ c   pro b 67