Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
4852 | 1fwo RC | 4645 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1H ASP 1 -13.227 7.115 0.721
2 2H ASP 1 2H ASP 1 -12.114 8.146 1.488
3 3H ASP 1 3H ASP 1 -12.666 6.749 2.280
4 HA ASP 1 HA ASP 1 -11.573 5.352 0.605
5 1HB ASP 1 2HB ASP 1 -10.127 6.585 -1.027
6 2HB ASP 1 1HB ASP 1 -11.839 6.966 -1.215
7 H HIS 2 H HIS 2 -9.273 4.801 0.878
8 HA HIS 2 HA HIS 2 -8.102 6.100 3.292
9 1HB HIS 2 2HB HIS 2 -8.643 3.533 2.801
10 2HB HIS 2 1HB HIS 2 -7.063 3.592 2.025
11 HD1 HIS 2 HD1 HIS 2 -7.045 5.979 4.736
12 HD2 HIS 2 HD2 HIS 2 -6.541 1.849 4.458
13 HE1 HIS 2 HE1 HIS 2 -5.912 5.252 6.875
14 H VAL 3 H VAL 3 -5.448 5.575 3.041
15 HA VAL 3 HA VAL 3 -4.373 6.170 0.402
16 HB VAL 3 HB VAL 3 -5.420 8.318 0.963
17 1HG1 VAL 3 1HG1 VAL 3 -5.071 7.743 3.524
18 2HG1 VAL 3 2HG1 VAL 3 -5.128 9.421 2.985
19 3HG1 VAL 3 3HG1 VAL 3 -3.574 8.649 3.300
20 1HG2 VAL 3 1HG2 VAL 3 -2.715 9.203 1.518
21 2HG2 VAL 3 2HG2 VAL 3 -3.659 9.381 0.039
22 3HG2 VAL 3 3HG2 VAL 3 -2.711 7.919 0.309
23 H CYS 4 H CYS 4 -2.872 4.497 0.928
24 HA CYS 4 HA CYS 4 -1.237 4.709 3.375
25 1HB CYS 4 2HB CYS 4 -1.616 2.802 1.085
26 2HB CYS 4 1HB CYS 4 -0.169 2.661 2.082
27 H ASP 5 H ASP 5 0.937 5.341 3.399
28 HA ASP 5 HA ASP 5 2.883 6.450 2.644
29 1HB ASP 5 2HB ASP 5 3.168 4.316 1.520
30 2HB ASP 5 1HB ASP 5 2.057 4.797 0.238
31 H ASP 6 H ASP 6 1.649 6.431 -0.628
32 HA ASP 6 HA ASP 6 0.619 9.204 -0.411
33 1HB ASP 6 2HB ASP 6 3.193 8.314 -1.666
34 2HB ASP 6 1HB ASP 6 2.302 9.631 -2.430
35 H ASN 7 H ASN 7 1.898 7.692 -3.325
36 HA ASN 7 HA ASN 7 -0.572 7.988 -4.774
37 1HB ASN 7 2HB ASN 7 0.712 6.555 -6.437
38 2HB ASN 7 1HB ASN 7 1.571 7.994 -5.887
39 1HD2 ASN 7 1HD2 ASN 7 1.556 4.481 -5.810
40 2HD2 ASN 7 2HD2 ASN 7 3.025 4.304 -4.978
41 H PHE 8 H PHE 8 -1.973 6.829 -3.107
42 HA PHE 8 HA PHE 8 -2.550 4.121 -3.996
43 1HB PHE 8 2HB PHE 8 -0.495 3.863 -2.576
44 2HB PHE 8 1HB PHE 8 -1.399 4.526 -1.215
45 HD1 PHE 8 HD1 PHE 8 -0.698 1.576 -3.181
46 HD2 PHE 8 HD2 PHE 8 -3.514 3.330 -0.452
47 HE1 PHE 8 HE1 PHE 8 -1.632 -0.671 -2.701
48 HE2 PHE 8 HE2 PHE 8 -4.449 1.083 0.026
49 HZ PHE 8 HZ PHE 8 -3.508 -0.917 -1.097
50 H SER 9 H SER 9 -4.537 3.321 -2.970
51 HA SER 9 HA SER 9 -5.864 4.798 -0.858
52 1HB SER 9 2HB SER 9 -7.379 6.083 -2.153
53 2HB SER 9 1HB SER 9 -5.830 6.303 -2.963
54 HG SER 9 HG SER 9 -7.977 5.512 -4.090
55 H CYS 10 H CYS 10 -7.806 3.760 -0.227
56 HA CYS 10 HA CYS 10 -8.993 1.652 -1.905
57 1HB CYS 10 2HB CYS 10 -6.901 1.166 0.038
58 2HB CYS 10 1HB CYS 10 -8.383 0.346 0.531
59 HA PRO 11 HA PRO 11 -12.288 3.328 0.589
60 1HB PRO 11 2HB PRO 11 -14.293 1.819 -0.512
61 2HB PRO 11 1HB PRO 11 -13.601 3.244 -1.314
62 1HG PRO 11 2HG PRO 11 -13.051 0.355 -1.781
63 2HG PRO 11 1HG PRO 11 -13.200 1.678 -2.948
64 1HD PRO 11 2HD PRO 11 -10.807 0.663 -2.145
65 2HD PRO 11 1HD PRO 11 -11.025 2.349 -2.665
66 H ALA 12 H ALA 12 -10.815 1.709 2.129
67 HA ALA 12 HA ALA 12 -10.857 0.001 3.774
68 1HB ALA 12 1HB ALA 12 -12.392 1.429 4.832
69 2HB ALA 12 2HB ALA 12 -13.295 -0.083 4.740
70 3HB ALA 12 3HB ALA 12 -13.608 1.203 3.575
71 H GLY 13 H GLY 13 -11.507 -0.764 0.863
72 1HA GLY 13 2HA GLY 13 -13.136 -3.205 1.408
73 2HA GLY 13 1HA GLY 13 -12.878 -2.508 -0.194
74 H SER 14 H SER 14 -10.079 -2.456 1.723
75 HA SER 14 HA SER 14 -9.099 -5.137 1.155
76 1HB SER 14 2HB SER 14 -8.615 -2.824 -0.693
77 2HB SER 14 1HB SER 14 -7.324 -4.001 -0.467
78 HG SER 14 HG SER 14 -9.917 -4.943 -0.906
79 H THR 15 H THR 15 -6.364 -4.600 1.071
80 HA THR 15 HA THR 15 -5.846 -2.792 3.397
81 HB THR 15 HB THR 15 -4.265 -4.814 4.065
82 HG1 THR 15 HG1 THR 15 -4.579 -6.352 2.663
83 1HG2 THR 15 1HG2 THR 15 -6.497 -3.810 5.100
84 2HG2 THR 15 2HG2 THR 15 -5.818 -5.326 5.694
85 3HG2 THR 15 3HG2 THR 15 -7.163 -5.349 4.554
86 H CYS 16 H CYS 16 -3.611 -2.070 3.500
87 HA CYS 16 HA CYS 16 -2.350 -1.822 0.875
88 1HB CYS 16 2HB CYS 16 -1.582 -0.943 3.676
89 2HB CYS 16 1HB CYS 16 -0.747 -0.432 2.210
90 H SER 17 H SER 17 -1.434 -3.791 0.213
91 HA SER 17 HA SER 17 -0.246 -5.819 1.697
92 1HB SER 17 2HB SER 17 0.598 -4.589 -0.946
93 2HB SER 17 1HB SER 17 1.128 -6.169 -0.377
94 HG SER 17 HG SER 17 -0.655 -6.525 -1.619
95 H SER 18 H SER 18 1.291 -2.801 0.580
96 HA SER 18 HA SER 18 3.214 -1.685 1.364
97 1HB SER 18 2HB SER 18 1.834 -2.338 3.499
98 2HB SER 18 1HB SER 18 3.120 -3.516 3.751
99 HG SER 18 HG SER 18 4.574 -1.894 3.931
100 H ALA 19 H ALA 19 5.079 -2.167 0.297
101 HA ALA 19 HA ALA 19 6.496 -4.707 0.993
102 1HB ALA 19 1HB ALA 19 6.808 -5.195 -1.318
103 2HB ALA 19 2HB ALA 19 6.327 -3.570 -1.805
104 3HB ALA 19 3HB ALA 19 5.119 -4.701 -1.195
105 H PHE 20 H PHE 20 8.821 -4.445 -0.258
106 HA PHE 20 HA PHE 20 10.877 -3.268 -0.203
107 1HB PHE 20 2HB PHE 20 8.740 -1.560 -1.253
108 2HB PHE 20 1HB PHE 20 10.072 -0.627 -0.571
109 HD1 PHE 20 HD1 PHE 20 12.060 -0.329 -1.790
110 HD2 PHE 20 HD2 PHE 20 9.348 -3.473 -2.892
111 HE1 PHE 20 HE1 PHE 20 13.419 -0.793 -3.812
112 HE2 PHE 20 HE2 PHE 20 10.708 -3.937 -4.914
113 HZ PHE 20 HZ PHE 20 12.744 -2.597 -5.374
114 H GLY 21 H GLY 21 10.387 -3.839 2.312
115 1HA GLY 21 2HA GLY 21 10.368 -1.253 3.818
116 2HA GLY 21 1HA GLY 21 9.827 -2.788 4.499
117 H PHE 22 H PHE 22 12.627 -2.934 2.496
118 HA PHE 22 HA PHE 22 14.293 -3.473 4.914
119 1HB PHE 22 2HB PHE 22 15.600 -4.809 3.423
120 2HB PHE 22 1HB PHE 22 13.926 -5.094 2.948
121 HD1 PHE 22 HD1 PHE 22 13.011 -4.109 0.885
122 HD2 PHE 22 HD2 PHE 22 17.108 -3.511 2.026
123 HE1 PHE 22 HE1 PHE 22 13.527 -3.289 -1.398
124 HE2 PHE 22 HE2 PHE 22 17.625 -2.692 -0.256
125 HZ PHE 22 HZ PHE 22 15.835 -2.580 -1.968
126 H ARG 23 H ARG 23 13.592 -0.828 3.180
127 HA ARG 23 HA ARG 23 15.818 0.736 3.938
128 1HB ARG 23 2HB ARG 23 16.351 -1.108 1.822
129 2HB ARG 23 1HB ARG 23 16.379 0.514 1.133
130 1HG ARG 23 2HG ARG 23 17.813 1.091 3.258
131 2HG ARG 23 1HG ARG 23 18.105 -0.648 3.299
132 1HD ARG 23 2HD ARG 23 19.804 -0.158 1.841
133 2HD ARG 23 1HD ARG 23 18.507 -0.074 0.632
134 HE ARG 23 HE ARG 23 18.887 2.397 2.170
135 1HH1 ARG 23 2HH1 ARG 23 17.777 2.285 -0.613
136 2HH1 ARG 23 1HH1 ARG 23 19.104 2.878 -1.555
137 1HH2 ARG 23 1HH2 ARG 23 21.444 2.414 0.961
138 2HH2 ARG 23 2HH2 ARG 23 21.180 2.950 -0.665
139 H ASN 24 H ASN 24 13.254 0.108 1.636
140 HA ASN 24 HA ASN 24 11.704 1.550 0.612
141 1HB ASN 24 2HB ASN 24 12.846 3.427 2.708
142 2HB ASN 24 1HB ASN 24 11.332 3.668 1.838
143 1HD2 ASN 24 1HD2 ASN 24 9.589 3.078 3.125
144 2HD2 ASN 24 2HD2 ASN 24 9.567 1.765 4.201
145 H LEU 25 H LEU 25 13.120 1.488 -1.330
146 HA LEU 25 HA LEU 25 14.467 4.127 -1.820
147 1HB LEU 25 2HB LEU 25 15.779 2.671 -3.521
148 2HB LEU 25 1HB LEU 25 16.152 2.448 -1.812
149 HG LEU 25 HG LEU 25 13.947 0.774 -2.880
150 1HD1 LEU 25 1HD1 LEU 25 15.150 0.074 -4.672
151 2HD1 LEU 25 2HD1 LEU 25 16.160 -0.761 -3.492
152 3HD1 LEU 25 3HD1 LEU 25 16.629 0.833 -4.082
153 1HD2 LEU 25 1HD2 LEU 25 15.576 0.885 -0.609
154 2HD2 LEU 25 2HD2 LEU 25 16.177 -0.509 -1.506
155 3HD2 LEU 25 3HD2 LEU 25 14.478 -0.427 -1.039
156 H SER 26 H SER 26 11.669 2.709 -2.357
157 HA SER 26 HA SER 26 11.029 4.155 -4.763
158 1HB SER 26 2HB SER 26 12.509 1.900 -5.232
159 2HB SER 26 1HB SER 26 10.874 1.256 -5.344
160 HG SER 26 HG SER 26 10.578 3.299 -6.701
161 H LEU 27 H LEU 27 10.298 1.478 -2.572
162 HA LEU 27 HA LEU 27 8.251 0.748 -1.653
163 1HB LEU 27 2HB LEU 27 7.845 3.635 -2.407
164 2HB LEU 27 1HB LEU 27 6.504 2.708 -1.733
165 HG LEU 27 HG LEU 27 7.813 3.916 0.018
166 1HD1 LEU 27 1HD1 LEU 27 7.110 2.235 1.339
167 2HD1 LEU 27 2HD1 LEU 27 8.530 1.289 0.891
168 3HD1 LEU 27 3HD1 LEU 27 7.049 1.162 -0.059
169 1HD2 LEU 27 1HD2 LEU 27 10.022 1.988 -0.769
170 2HD2 LEU 27 2HD2 LEU 27 10.087 3.191 0.519
171 3HD2 LEU 27 3HD2 LEU 27 10.014 3.706 -1.167
172 H VAL 28 H VAL 28 7.274 -0.844 -2.851
173 HA VAL 28 HA VAL 28 5.471 -0.012 -5.072
174 HB VAL 28 HB VAL 28 7.702 -0.567 -6.011
175 1HG1 VAL 28 1HG1 VAL 28 7.476 -3.438 -5.416
176 2HG1 VAL 28 2HG1 VAL 28 7.781 -2.445 -3.991
177 3HG1 VAL 28 3HG1 VAL 28 8.891 -2.386 -5.360
178 1HG2 VAL 28 1HG2 VAL 28 5.372 -1.272 -7.035
179 2HG2 VAL 28 2HG2 VAL 28 5.936 -2.904 -6.677
180 3HG2 VAL 28 3HG2 VAL 28 6.866 -1.868 -7.759
181 H TRP 29 H TRP 29 3.554 -0.775 -4.225
182 HA TRP 29 HA TRP 29 3.309 -3.679 -3.734
183 1HB TRP 29 2HB TRP 29 2.033 -2.830 -1.506
184 2HB TRP 29 1HB TRP 29 3.741 -3.254 -1.509
185 HD1 TRP 29 HD1 TRP 29 5.483 -1.153 -1.854
186 HE1 TRP 29 HE1 TRP 29 5.293 1.273 -1.006
187 HE3 TRP 29 HE3 TRP 29 0.468 -0.939 -0.918
188 HZ2 TRP 29 HZ2 TRP 29 3.279 3.068 -0.057
189 HZ3 TRP 29 HZ3 TRP 29 -0.560 1.138 -0.043
190 HH2 TRP 29 HH2 TRP 29 0.839 3.142 0.388
191 H GLY 30 H GLY 30 0.717 -3.575 -2.566
192 1HA GLY 30 2HA GLY 30 -0.934 -1.788 -4.215
193 2HA GLY 30 1HA GLY 30 -1.043 -3.494 -4.648
194 H CYS 31 H CYS 31 -3.378 -2.910 -3.962
195 HA CYS 31 HA CYS 31 -3.760 -2.981 -1.010
196 1HB CYS 31 2HB CYS 31 -4.942 -1.588 -3.067
197 2HB CYS 31 1HB CYS 31 -6.082 -2.913 -2.833
198 H SER 32 H SER 32 -4.779 -4.757 -0.003
199 HA SER 32 HA SER 32 -5.214 -7.164 -1.740
200 1HB SER 32 2HB SER 32 -3.529 -6.788 0.383
201 2HB SER 32 1HB SER 32 -4.946 -7.446 1.195
202 HG SER 32 HG SER 32 -4.211 -9.290 0.503
203 HA PRO 33 HA PRO 33 -9.468 -6.829 -0.597
204 1HB PRO 33 2HB PRO 33 -10.265 -9.314 -1.419
205 2HB PRO 33 1HB PRO 33 -9.925 -7.986 -2.546
206 1HG PRO 33 2HG PRO 33 -8.239 -10.320 -1.809
207 2HG PRO 33 1HG PRO 33 -8.437 -9.518 -3.374
208 1HD PRO 33 2HD PRO 33 -6.286 -9.140 -1.719
209 2HD PRO 33 1HD PRO 33 -6.844 -7.949 -2.914
210 H VAL 34 H VAL 34 -10.088 -6.986 1.527
211 HA VAL 34 HA VAL 34 -8.989 -8.829 3.423
212 HB VAL 34 HB VAL 34 -10.066 -6.579 3.819
213 1HG1 VAL 34 1HG1 VAL 34 -12.701 -8.030 3.767
214 2HG1 VAL 34 2HG1 VAL 34 -12.063 -7.312 2.289
215 3HG1 VAL 34 3HG1 VAL 34 -12.389 -6.296 3.692
216 1HG2 VAL 34 1HG2 VAL 34 -10.319 -7.215 5.975
217 2HG2 VAL 34 2HG2 VAL 34 -10.037 -8.866 5.422
218 3HG2 VAL 34 3HG2 VAL 34 -11.685 -8.256 5.577
219 H GLU 35 HN GLU 35 -11.690 -9.072 1.207
220 HA GLU 35 HA GLU 35 -12.074 -11.902 1.962
221 1HB GLU 35 2HB GLU 35 -13.536 -9.915 3.223
222 2HB GLU 35 1HB GLU 35 -14.612 -10.421 1.920
223 1HG GLU 35 2HG GLU 35 -15.214 -12.068 3.373
224 2HG GLU 35 1HG GLU 35 -13.726 -12.841 2.825
Start of MODEL 2
1 1H ASP 1 1H ASP 1 -12.592 5.453 1.962
2 2H ASP 1 2H ASP 1 -12.971 5.211 0.324
3 3H ASP 1 3H ASP 1 -12.940 6.783 0.969
4 HA ASP 1 HA ASP 1 -10.716 5.065 0.151
5 1HB ASP 1 2HB ASP 1 -9.970 7.227 -0.697
6 2HB ASP 1 1HB ASP 1 -11.671 7.014 -1.112
7 H HIS 2 H HIS 2 -8.777 5.003 1.294
8 HA HIS 2 HA HIS 2 -8.699 6.502 3.894
9 1HB HIS 2 2HB HIS 2 -8.233 3.679 3.106
10 2HB HIS 2 1HB HIS 2 -7.086 4.342 4.271
11 HD1 HIS 2 HD1 HIS 2 -7.877 4.594 6.652
12 HD2 HIS 2 HD2 HIS 2 -11.030 3.890 4.016
13 HE1 HIS 2 HE1 HIS 2 -9.941 4.244 8.079
14 H VAL 3 H VAL 3 -7.239 6.075 0.862
15 HA VAL 3 HA VAL 3 -5.195 6.853 -0.035
16 HB VAL 3 HB VAL 3 -5.634 8.453 2.483
17 1HG1 VAL 3 1HG1 VAL 3 -3.182 8.257 0.836
18 2HG1 VAL 3 2HG1 VAL 3 -3.384 8.831 2.492
19 3HG1 VAL 3 3HG1 VAL 3 -3.757 9.897 1.136
20 1HG2 VAL 3 1HG2 VAL 3 -7.040 9.373 0.933
21 2HG2 VAL 3 2HG2 VAL 3 -6.145 8.692 -0.425
22 3HG2 VAL 3 3HG2 VAL 3 -5.572 10.164 0.360
23 H CYS 4 H CYS 4 -3.510 5.416 -0.077
24 HA CYS 4 HA CYS 4 -2.296 4.587 2.535
25 1HB CYS 4 2HB CYS 4 -3.013 3.259 -0.012
26 2HB CYS 4 1HB CYS 4 -1.468 2.762 0.678
27 H ASP 5 H ASP 5 -0.608 6.056 2.788
28 HA ASP 5 HA ASP 5 1.391 7.223 2.291
29 1HB ASP 5 2HB ASP 5 1.784 4.624 2.325
30 2HB ASP 5 1HB ASP 5 2.044 4.829 0.592
31 H ASP 6 H ASP 6 -0.627 8.129 0.595
32 HA ASP 6 HA ASP 6 -0.966 9.187 -1.492
33 1HB ASP 6 2HB ASP 6 1.682 9.541 -0.535
34 2HB ASP 6 1HB ASP 6 1.808 9.286 -2.276
35 H ASN 7 H ASN 7 -0.118 8.988 -3.945
36 HA ASN 7 HA ASN 7 -0.276 7.542 -5.824
37 1HB ASN 7 2HB ASN 7 2.130 7.576 -5.069
38 2HB ASN 7 1HB ASN 7 1.808 6.097 -4.162
39 1HD2 ASN 7 1HD2 ASN 7 2.063 4.165 -5.301
40 2HD2 ASN 7 2HD2 ASN 7 2.137 4.041 -6.992
41 H PHE 8 H PHE 8 -2.004 6.867 -3.413
42 HA PHE 8 HA PHE 8 -2.977 4.304 -4.366
43 1HB PHE 8 2HB PHE 8 -0.965 4.483 -2.224
44 2HB PHE 8 1HB PHE 8 -2.383 3.533 -1.782
45 HD1 PHE 8 HD1 PHE 8 0.694 2.844 -2.604
46 HD2 PHE 8 HD2 PHE 8 -3.165 2.440 -4.444
47 HE1 PHE 8 HE1 PHE 8 1.538 0.946 -3.957
48 HE2 PHE 8 HE2 PHE 8 -2.321 0.542 -5.800
49 HZ PHE 8 HZ PHE 8 0.032 -0.206 -5.555
50 H SER 9 H SER 9 -4.910 3.640 -3.156
51 HA SER 9 HA SER 9 -5.951 5.707 -1.258
52 1HB SER 9 2HB SER 9 -8.124 5.499 -2.488
53 2HB SER 9 1HB SER 9 -6.832 6.145 -3.494
54 HG SER 9 HG SER 9 -6.899 4.402 -4.681
55 H CYS 10 H CYS 10 -7.678 2.973 -2.639
56 HA CYS 10 HA CYS 10 -8.593 1.046 -1.626
57 1HB CYS 10 2HB CYS 10 -6.009 1.452 -0.094
58 2HB CYS 10 1HB CYS 10 -7.000 0.000 0.041
59 HA PRO 11 HA PRO 11 -10.723 3.124 1.718
60 1HB PRO 11 2HB PRO 11 -12.850 1.402 1.790
61 2HB PRO 11 1HB PRO 11 -12.697 2.698 0.586
62 1HG PRO 11 2HG PRO 11 -12.147 -0.213 0.314
63 2HG PRO 11 1HG PRO 11 -12.863 0.917 -0.848
64 1HD PRO 11 2HD PRO 11 -10.268 0.065 -0.959
65 2HD PRO 11 1HD PRO 11 -10.828 1.618 -1.616
66 H ALA 12 H ALA 12 -12.204 1.578 3.560
67 HA ALA 12 HA ALA 12 -10.114 0.533 5.251
68 1HB ALA 12 1HB ALA 12 -12.819 1.325 5.405
69 2HB ALA 12 2HB ALA 12 -11.783 0.837 6.745
70 3HB ALA 12 3HB ALA 12 -12.788 -0.359 5.927
71 H GLY 13 H GLY 13 -12.230 -0.895 2.858
72 1HA GLY 13 2HA GLY 13 -12.024 -3.623 3.761
73 2HA GLY 13 1HA GLY 13 -12.488 -3.117 2.136
74 H SER 14 H SER 14 -10.574 -2.261 0.782
75 HA SER 14 HA SER 14 -8.713 -4.186 0.172
76 1HB SER 14 2HB SER 14 -8.953 -1.269 -0.094
77 2HB SER 14 1HB SER 14 -7.288 -1.840 -0.181
78 HG SER 14 HG SER 14 -8.178 -1.945 -2.225
79 H THR 15 H THR 15 -6.361 -4.366 0.661
80 HA THR 15 HA THR 15 -5.726 -3.535 3.477
81 HB THR 15 HB THR 15 -6.320 -5.953 3.094
82 HG1 THR 15 HG1 THR 15 -4.835 -6.510 4.500
83 1HG2 THR 15 1HG2 THR 15 -5.078 -7.318 1.670
84 2HG2 THR 15 2HG2 THR 15 -3.691 -6.228 1.673
85 3HG2 THR 15 3HG2 THR 15 -5.138 -5.811 0.754
86 H CYS 16 H CYS 16 -3.896 -2.292 3.590
87 HA CYS 16 HA CYS 16 -2.068 -2.201 1.238
88 1HB CYS 16 2HB CYS 16 -2.700 -0.457 3.614
89 2HB CYS 16 1HB CYS 16 -1.214 -0.199 2.699
90 H SER 17 H SER 17 -0.483 -3.769 1.425
91 HA SER 17 HA SER 17 0.593 -4.452 4.107
92 1HB SER 17 2HB SER 17 -0.090 -5.868 1.842
93 2HB SER 17 1HB SER 17 1.663 -5.773 1.708
94 HG SER 17 HG SER 17 0.282 -6.546 4.064
95 H SER 18 H SER 18 1.613 -2.948 1.061
96 HA SER 18 HA SER 18 3.553 -1.664 0.605
97 1HB SER 18 2HB SER 18 4.306 -0.476 2.428
98 2HB SER 18 1HB SER 18 2.904 -1.208 3.203
99 HG SER 18 HG SER 18 4.230 -2.271 4.424
100 H ALA 19 H ALA 19 5.210 -2.694 -0.488
101 HA ALA 19 HA ALA 19 6.985 -4.554 0.984
102 1HB ALA 19 1HB ALA 19 4.837 -5.668 -0.039
103 2HB ALA 19 2HB ALA 19 6.401 -6.454 -0.255
104 3HB ALA 19 3HB ALA 19 5.705 -5.501 -1.566
105 H PHE 20 H PHE 20 8.168 -5.681 -1.352
106 HA PHE 20 HA PHE 20 9.179 -3.292 -2.844
107 1HB PHE 20 2HB PHE 20 10.804 -5.521 -1.581
108 2HB PHE 20 1HB PHE 20 11.457 -4.156 -2.486
109 HD1 PHE 20 HD1 PHE 20 10.257 -5.316 0.723
110 HD2 PHE 20 HD2 PHE 20 11.066 -1.804 -1.616
111 HE1 PHE 20 HE1 PHE 20 10.271 -3.943 2.789
112 HE2 PHE 20 HE2 PHE 20 11.079 -0.432 0.452
113 HZ PHE 20 HZ PHE 20 10.682 -1.502 2.652
114 H GLY 21 H GLY 21 11.085 -5.957 -3.512
115 1HA GLY 21 2HA GLY 21 9.264 -7.264 -5.408
116 2HA GLY 21 1HA GLY 21 10.542 -6.303 -6.154
117 H PHE 22 H PHE 22 12.274 -7.519 -6.710
118 HA PHE 22 HA PHE 22 12.756 -10.101 -5.325
119 1HB PHE 22 2HB PHE 22 14.305 -10.415 -7.261
120 2HB PHE 22 1HB PHE 22 12.669 -10.002 -7.773
121 HD1 PHE 22 HD1 PHE 22 12.215 -8.002 -8.981
122 HD2 PHE 22 HD2 PHE 22 16.063 -8.597 -7.166
123 HE1 PHE 22 HE1 PHE 22 13.087 -6.009 -10.173
124 HE2 PHE 22 HE2 PHE 22 16.934 -6.605 -8.359
125 HZ PHE 22 HZ PHE 22 15.445 -5.311 -9.862
126 H ARG 23 H ARG 23 13.621 -7.016 -4.679
127 HA ARG 23 HA ARG 23 15.986 -7.798 -3.155
128 1HB ARG 23 2HB ARG 23 16.734 -7.589 -5.574
129 2HB ARG 23 1HB ARG 23 16.325 -5.876 -5.476
130 1HG ARG 23 2HG ARG 23 18.045 -5.407 -3.987
131 2HG ARG 23 1HG ARG 23 18.099 -7.059 -3.369
132 1HD ARG 23 2HD ARG 23 20.080 -6.609 -4.780
133 2HD ARG 23 1HD ARG 23 19.039 -7.812 -5.567
134 HE ARG 23 HE ARG 23 18.026 -5.794 -6.806
135 1HH1 ARG 23 1HH2 ARG 23 20.487 -4.529 -5.035
136 2HH1 ARG 23 2HH2 ARG 23 21.427 -3.944 -6.368
137 1HH2 ARG 23 2HH1 ARG 23 19.554 -5.610 -8.763
138 2HH2 ARG 23 1HH1 ARG 23 20.898 -4.556 -8.477
139 H ASN 24 H ASN 24 14.506 -4.922 -4.706
140 HA ASN 24 HA ASN 24 13.653 -3.773 -2.200
141 1HB ASN 24 2HB ASN 24 15.410 -1.820 -2.504
142 2HB ASN 24 1HB ASN 24 15.873 -3.295 -1.657
143 1HD2 ASN 24 1HD2 ASN 24 18.134 -3.099 -2.287
144 2HD2 ASN 24 2HD2 ASN 24 18.636 -3.348 -3.890
145 H LEU 25 H LEU 25 15.117 -2.300 -5.130
146 HA LEU 25 HA LEU 25 14.179 -0.664 -6.575
147 1HB LEU 25 2HB LEU 25 12.466 -3.091 -6.373
148 2HB LEU 25 1HB LEU 25 11.767 -1.710 -7.220
149 HG LEU 25 HG LEU 25 13.082 -3.342 -8.672
150 1HD1 LEU 25 1HD1 LEU 25 12.641 -1.194 -9.589
151 2HD1 LEU 25 2HD1 LEU 25 14.378 -1.424 -9.791
152 3HD1 LEU 25 3HD1 LEU 25 13.770 -0.405 -8.486
153 1HD2 LEU 25 1HD2 LEU 25 15.481 -3.309 -8.551
154 2HD2 LEU 25 2HD2 LEU 25 14.901 -3.609 -6.912
155 3HD2 LEU 25 3HD2 LEU 25 15.465 -2.001 -7.367
156 H SER 26 H SER 26 13.752 -0.085 -3.731
157 HA SER 26 HA SER 26 12.502 1.491 -2.479
158 1HB SER 26 2HB SER 26 10.840 1.882 -4.964
159 2HB SER 26 1HB SER 26 11.301 3.075 -3.754
160 HG SER 26 HG SER 26 13.418 2.953 -4.510
161 H LEU 27 H LEU 27 10.196 1.789 -1.655
162 HA LEU 27 HA LEU 27 8.958 -0.553 -0.845
163 1HB LEU 27 2HB LEU 27 8.092 2.265 -1.349
164 2HB LEU 27 1HB LEU 27 6.843 1.082 -0.965
165 HG LEU 27 HG LEU 27 9.286 1.051 0.737
166 1HD1 LEU 27 1HD1 LEU 27 8.568 2.924 2.080
167 2HD1 LEU 27 2HD1 LEU 27 7.114 3.135 1.104
168 3HD1 LEU 27 3HD1 LEU 27 8.699 3.489 0.415
169 1HD2 LEU 27 1HD2 LEU 27 6.390 0.391 0.883
170 2HD2 LEU 27 2HD2 LEU 27 7.127 0.977 2.375
171 3HD2 LEU 27 3HD2 LEU 27 7.773 -0.455 1.576
172 H VAL 28 H VAL 28 6.875 1.286 -2.976
173 HA VAL 28 HA VAL 28 5.633 0.640 -4.880
174 HB VAL 28 HB VAL 28 7.918 -1.330 -5.213
175 1HG1 VAL 28 1HG1 VAL 28 7.006 -1.761 -7.225
176 2HG1 VAL 28 2HG1 VAL 28 6.921 -0.040 -7.603
177 3HG1 VAL 28 3HG1 VAL 28 5.599 -0.819 -6.735
178 1HG2 VAL 28 1HG2 VAL 28 9.241 0.375 -6.115
179 2HG2 VAL 28 2HG2 VAL 28 8.444 1.219 -4.789
180 3HG2 VAL 28 3HG2 VAL 28 7.855 1.415 -6.440
181 H TRP 29 H TRP 29 3.764 -0.402 -4.254
182 HA TRP 29 HA TRP 29 3.850 -3.358 -4.016
183 1HB TRP 29 2HB TRP 29 2.172 -2.778 -1.947
184 2HB TRP 29 1HB TRP 29 3.887 -3.110 -1.744
185 HD1 TRP 29 HD1 TRP 29 5.505 -0.814 -1.867
186 HE1 TRP 29 HE1 TRP 29 5.047 1.488 -0.800
187 HE3 TRP 29 HE3 TRP 29 0.453 -1.140 -1.188
188 HZ2 TRP 29 HZ2 TRP 29 2.839 2.990 0.210
189 HZ3 TRP 29 HZ3 TRP 29 -0.798 0.738 -0.166
190 HH2 TRP 29 HH2 TRP 29 0.388 2.803 0.531
191 H GLY 30 H GLY 30 1.181 -3.733 -3.240
192 1HA GLY 30 2HA GLY 30 -0.347 -2.230 -5.326
193 2HA GLY 30 1HA GLY 30 -0.473 -3.983 -5.202
194 H CYS 31 H CYS 31 -2.588 -4.220 -4.535
195 HA CYS 31 HA CYS 31 -3.251 -3.593 -1.768
196 1HB CYS 31 2HB CYS 31 -3.436 -1.451 -3.303
197 2HB CYS 31 1HB CYS 31 -4.947 -2.195 -3.821
198 H SER 32 H SER 32 -4.943 -4.958 -1.112
199 HA SER 32 HA SER 32 -6.607 -6.239 -3.245
200 1HB SER 32 2HB SER 32 -5.162 -7.688 -1.007
201 2HB SER 32 1HB SER 32 -6.098 -8.427 -2.302
202 HG SER 32 HG SER 32 -4.483 -7.062 -3.635
203 HA PRO 33 HA PRO 33 -9.827 -5.661 -0.308
204 1HB PRO 33 2HB PRO 33 -11.569 -7.603 -1.127
205 2HB PRO 33 1HB PRO 33 -11.289 -6.109 -2.042
206 1HG PRO 33 2HG PRO 33 -10.254 -8.846 -2.530
207 2HG PRO 33 1HG PRO 33 -10.729 -7.595 -3.686
208 1HD PRO 33 2HD PRO 33 -8.126 -8.200 -3.018
209 2HD PRO 33 1HD PRO 33 -8.660 -6.645 -3.691
210 H VAL 34 H VAL 34 -8.159 -6.607 1.325
211 HA VAL 34 HA VAL 34 -7.576 -8.192 2.996
212 HB VAL 34 HB VAL 34 -10.579 -8.575 2.985
213 1HG1 VAL 34 1HG1 VAL 34 -10.225 -9.473 5.020
214 2HG1 VAL 34 2HG1 VAL 34 -9.311 -8.054 5.529
215 3HG1 VAL 34 3HG1 VAL 34 -8.492 -9.382 4.709
216 1HG2 VAL 34 1HG2 VAL 34 -10.450 -6.476 4.517
217 2HG2 VAL 34 2HG2 VAL 34 -10.398 -6.234 2.770
218 3HG2 VAL 34 3HG2 VAL 34 -8.909 -6.171 3.713
219 H GLU 35 HN GLU 35 -7.209 -9.434 0.530
220 HA GLU 35 HA GLU 35 -7.090 -11.583 -0.451
221 1HB GLU 35 2HB GLU 35 -6.996 -11.753 2.402
222 2HB GLU 35 1HB GLU 35 -7.932 -13.129 1.811
223 1HG GLU 35 2HG GLU 35 -5.467 -12.506 0.286
224 2HG GLU 35 1HG GLU 35 -5.221 -13.117 1.922
Start of MODEL 3
1 1H ASP 1 1H ASP 1 -13.251 7.417 1.877
2 2H ASP 1 2H ASP 1 -12.429 8.701 1.128
3 3H ASP 1 3H ASP 1 -11.952 8.165 2.667
4 HA ASP 1 HA ASP 1 -11.824 5.909 1.087
5 1HB ASP 1 2HB ASP 1 -12.027 7.954 -0.635
6 2HB ASP 1 1HB ASP 1 -10.294 8.057 -0.321
7 H HIS 2 H HIS 2 -9.963 4.881 1.798
8 HA HIS 2 HA HIS 2 -8.219 6.323 3.674
9 1HB HIS 2 2HB HIS 2 -9.161 3.700 3.248
10 2HB HIS 2 1HB HIS 2 -7.419 3.622 2.980
11 HD1 HIS 2 HD1 HIS 2 -6.263 5.479 4.996
12 HD2 HIS 2 HD2 HIS 2 -9.536 3.062 5.905
13 HE1 HIS 2 HE1 HIS 2 -6.315 5.263 7.519
14 H VAL 3 H VAL 3 -5.892 6.434 3.418
15 HA VAL 3 HA VAL 3 -4.988 6.344 0.556
16 HB VAL 3 HB VAL 3 -3.733 7.975 2.768
17 1HG1 VAL 3 1HG1 VAL 3 -4.073 8.542 -0.188
18 2HG1 VAL 3 2HG1 VAL 3 -2.675 7.698 0.479
19 3HG1 VAL 3 3HG1 VAL 3 -3.003 9.367 0.945
20 1HG2 VAL 3 1HG2 VAL 3 -5.801 8.939 3.023
21 2HG2 VAL 3 2HG2 VAL 3 -6.375 8.364 1.458
22 3HG2 VAL 3 3HG2 VAL 3 -5.337 9.787 1.547
23 H CYS 4 H CYS 4 -3.889 4.402 0.377
24 HA CYS 4 HA CYS 4 -2.451 3.177 2.580
25 1HB CYS 4 2HB CYS 4 -3.233 2.642 -0.179
26 2HB CYS 4 1HB CYS 4 -1.616 2.032 0.175
27 H ASP 5 H ASP 5 -0.623 4.194 3.321
28 HA ASP 5 HA ASP 5 1.416 5.432 3.254
29 1HB ASP 5 2HB ASP 5 1.521 2.972 1.548
30 2HB ASP 5 1HB ASP 5 2.943 4.015 1.604
31 H ASP 6 H ASP 6 -0.420 6.830 1.627
32 HA ASP 6 HA ASP 6 -0.472 8.375 -0.167
33 1HB ASP 6 2HB ASP 6 1.774 8.702 1.206
34 2HB ASP 6 1HB ASP 6 2.516 8.102 -0.278
35 H ASN 7 H ASN 7 0.614 8.671 -2.512
36 HA ASN 7 HA ASN 7 1.013 7.732 -4.648
37 1HB ASN 7 2HB ASN 7 2.667 6.469 -2.979
38 2HB ASN 7 1HB ASN 7 1.617 5.102 -3.351
39 1HD2 ASN 7 1HD2 ASN 7 3.219 3.997 -4.663
40 2HD2 ASN 7 2HD2 ASN 7 3.712 4.601 -6.170
41 H PHE 8 H PHE 8 -0.303 5.098 -2.596
42 HA PHE 8 HA PHE 8 -2.424 4.686 -4.670
43 1HB PHE 8 2HB PHE 8 -0.610 2.935 -3.864
44 2HB PHE 8 1HB PHE 8 -1.720 2.727 -2.508
45 HD1 PHE 8 HD1 PHE 8 -4.152 2.160 -2.985
46 HD2 PHE 8 HD2 PHE 8 -1.090 1.994 -5.995
47 HE1 PHE 8 HE1 PHE 8 -5.615 0.739 -4.396
48 HE2 PHE 8 HE2 PHE 8 -2.554 0.572 -7.404
49 HZ PHE 8 HZ PHE 8 -4.816 -0.056 -6.605
50 H SER 9 H SER 9 -4.583 4.062 -3.793
51 HA SER 9 HA SER 9 -5.087 4.964 -0.991
52 1HB SER 9 2HB SER 9 -7.195 6.054 -2.266
53 2HB SER 9 1HB SER 9 -5.684 6.928 -2.038
54 HG SER 9 HG SER 9 -6.609 6.778 -4.254
55 H CYS 10 H CYS 10 -6.846 3.884 -0.023
56 HA CYS 10 HA CYS 10 -8.370 1.953 -1.728
57 1HB CYS 10 2HB CYS 10 -7.060 1.361 0.946
58 2HB CYS 10 1HB CYS 10 -7.907 0.207 -0.085
59 HA PRO 11 HA PRO 11 -11.803 3.391 0.591
60 1HB PRO 11 2HB PRO 11 -13.418 1.180 0.518
61 2HB PRO 11 1HB PRO 11 -13.141 2.227 -0.889
62 1HG PRO 11 2HG PRO 11 -11.930 -0.409 -0.227
63 2HG PRO 11 1HG PRO 11 -12.440 0.240 -1.793
64 1HD PRO 11 2HD PRO 11 -9.839 0.156 -0.968
65 2HD PRO 11 1HD PRO 11 -10.470 1.352 -2.121
66 H ALA 12 H ALA 12 -12.199 0.037 1.562
67 HA ALA 12 HA ALA 12 -10.935 0.446 4.195
68 1HB ALA 12 1HB ALA 12 -12.972 1.577 4.635
69 2HB ALA 12 2HB ALA 12 -13.254 -0.051 5.252
70 3HB ALA 12 3HB ALA 12 -13.911 0.425 3.687
71 H GLY 13 H GLY 13 -13.087 -1.544 2.172
72 1HA GLY 13 2HA GLY 13 -12.667 -3.975 3.671
73 2HA GLY 13 1HA GLY 13 -13.330 -3.879 2.039
74 H SER 14 H SER 14 -10.584 -2.200 1.723
75 HA SER 14 HA SER 14 -9.014 -4.645 0.981
76 1HB SER 14 2HB SER 14 -9.099 -1.831 -0.145
77 2HB SER 14 1HB SER 14 -7.995 -3.086 -0.704
78 HG SER 14 HG SER 14 -9.593 -3.657 -1.937
79 H THR 15 H THR 15 -6.603 -4.300 1.080
80 HA THR 15 HA THR 15 -5.641 -2.189 2.911
81 HB THR 15 HB THR 15 -5.900 -5.121 3.576
82 HG1 THR 15 HG1 THR 15 -7.309 -3.227 4.255
83 1HG2 THR 15 1HG2 THR 15 -3.649 -4.928 4.111
84 2HG2 THR 15 2HG2 THR 15 -4.391 -4.363 5.608
85 3HG2 THR 15 3HG2 THR 15 -3.771 -3.199 4.439
86 H CYS 16 H CYS 16 -3.365 -1.917 2.724
87 HA CYS 16 HA CYS 16 -2.074 -3.580 0.586
88 1HB CYS 16 2HB CYS 16 -0.684 -1.502 0.273
89 2HB CYS 16 1HB CYS 16 -2.405 -1.249 -0.019
90 H SER 17 H SER 17 0.401 -3.660 0.875
91 HA SER 17 HA SER 17 1.037 -4.041 3.784
92 1HB SER 17 2HB SER 17 0.834 -5.984 2.031
93 2HB SER 17 1HB SER 17 2.419 -5.429 1.500
94 HG SER 17 HG SER 17 1.933 -5.809 4.236
95 H SER 18 H SER 18 2.097 -2.670 0.722
96 HA SER 18 HA SER 18 3.883 -1.192 0.240
97 1HB SER 18 2HB SER 18 3.175 -0.882 3.114
98 2HB SER 18 1HB SER 18 4.707 -0.176 2.610
99 HG SER 18 HG SER 18 2.099 0.342 1.646
100 H ALA 19 H ALA 19 5.751 -2.223 -0.436
101 HA ALA 19 HA ALA 19 7.686 -3.112 1.614
102 1HB ALA 19 1HB ALA 19 7.810 -5.354 0.313
103 2HB ALA 19 2HB ALA 19 6.242 -4.894 -0.350
104 3HB ALA 19 3HB ALA 19 6.433 -5.115 1.391
105 H PHE 20 H PHE 20 9.594 -4.271 0.174
106 HA PHE 20 HA PHE 20 10.002 -2.817 -2.382
107 1HB PHE 20 2HB PHE 20 12.078 -2.626 -0.203
108 2HB PHE 20 1HB PHE 20 11.856 -1.585 -1.608
109 HD1 PHE 20 HD1 PHE 20 10.046 0.102 -1.657
110 HD2 PHE 20 HD2 PHE 20 10.773 -2.325 1.812
111 HE1 PHE 20 HE1 PHE 20 8.649 1.628 -0.290
112 HE2 PHE 20 HE2 PHE 20 9.377 -0.796 3.176
113 HZ PHE 20 HZ PHE 20 8.314 1.181 2.124
114 H GLY 21 H GLY 21 11.962 -4.604 0.036
115 1HA GLY 21 2HA GLY 21 12.287 -7.085 -0.784
116 2HA GLY 21 1HA GLY 21 13.016 -6.288 -2.178
117 H PHE 22 H PHE 22 15.010 -7.453 -1.518
118 HA PHE 22 HA PHE 22 16.340 -7.050 0.970
119 1HB PHE 22 2HB PHE 22 18.213 -7.987 -0.189
120 2HB PHE 22 1HB PHE 22 16.788 -8.700 -0.942
121 HD1 PHE 22 HD1 PHE 22 19.683 -6.555 -1.415
122 HD2 PHE 22 HD2 PHE 22 15.938 -7.782 -3.123
123 HE1 PHE 22 HE1 PHE 22 20.387 -5.644 -3.613
124 HE2 PHE 22 HE2 PHE 22 16.641 -6.872 -5.320
125 HZ PHE 22 HZ PHE 22 18.865 -5.802 -5.565
126 H ARG 23 H ARG 23 15.825 -4.892 -1.686
127 HA ARG 23 HA ARG 23 18.135 -3.169 -1.108
128 1HB ARG 23 2HB ARG 23 16.117 -3.548 -3.140
129 2HB ARG 23 1HB ARG 23 16.173 -1.848 -2.671
130 1HG ARG 23 2HG ARG 23 18.515 -1.699 -3.152
131 2HG ARG 23 1HG ARG 23 18.656 -3.448 -3.323
132 1HD ARG 23 2HD ARG 23 16.846 -3.117 -5.221
133 2HD ARG 23 1HD ARG 23 17.472 -1.455 -5.233
134 HE ARG 23 HE ARG 23 19.347 -3.780 -5.401
135 1HH1 ARG 23 2HH1 ARG 23 19.925 -0.695 -5.449
136 2HH1 ARG 23 1HH1 ARG 23 20.320 -0.503 -7.124
137 1HH2 ARG 23 1HH2 ARG 23 19.049 -3.594 -8.049
138 2HH2 ARG 23 2HH2 ARG 23 19.824 -2.145 -8.596
139 H ASN 24 H ASN 24 14.595 -3.023 -0.634
140 HA ASN 24 HA ASN 24 13.343 -1.812 0.971
141 1HB ASN 24 2HB ASN 24 15.842 -2.425 2.088
142 2HB ASN 24 1HB ASN 24 15.616 -0.705 2.414
143 1HD2 ASN 24 1HD2 ASN 24 14.583 -0.372 4.378
144 2HD2 ASN 24 2HD2 ASN 24 13.395 -1.383 5.044
145 H LEU 25 H LEU 25 14.096 -0.549 -1.511
146 HA LEU 25 HA LEU 25 13.847 2.278 -0.682
147 1HB LEU 25 2HB LEU 25 15.813 2.773 -2.315
148 2HB LEU 25 1HB LEU 25 16.208 2.153 -0.713
149 HG LEU 25 HG LEU 25 16.334 -0.141 -1.642
150 1HD1 LEU 25 1HD1 LEU 25 15.446 1.327 -4.098
151 2HD1 LEU 25 2HD1 LEU 25 14.950 -0.257 -3.502
152 3HD1 LEU 25 3HD1 LEU 25 16.516 -0.061 -4.291
153 1HD2 LEU 25 1HD2 LEU 25 18.172 0.899 -3.534
154 2HD2 LEU 25 2HD2 LEU 25 18.514 0.386 -1.881
155 3HD2 LEU 25 3HD2 LEU 25 18.099 2.068 -2.214
156 H SER 26 H SER 26 12.506 -0.006 -2.356
157 HA SER 26 HA SER 26 11.819 1.762 -4.666
158 1HB SER 26 2HB SER 26 11.815 -0.570 -5.919
159 2HB SER 26 1HB SER 26 13.324 0.310 -5.698
160 HG SER 26 HG SER 26 12.291 -1.739 -4.020
161 H LEU 27 H LEU 27 9.761 2.170 -3.680
162 HA LEU 27 HA LEU 27 8.003 0.366 -2.458
163 1HB LEU 27 2HB LEU 27 7.935 2.945 -3.830
164 2HB LEU 27 1HB LEU 27 6.419 2.063 -4.013
165 HG LEU 27 HG LEU 27 6.935 1.632 -1.373
166 1HD1 LEU 27 1HD1 LEU 27 7.801 4.484 -1.908
167 2HD1 LEU 27 2HD1 LEU 27 8.936 3.172 -1.591
168 3HD1 LEU 27 3HD1 LEU 27 7.770 3.645 -0.357
169 1HD2 LEU 27 1HD2 LEU 27 5.247 3.377 -0.956
170 2HD2 LEU 27 2HD2 LEU 27 4.822 2.437 -2.385
171 3HD2 LEU 27 3HD2 LEU 27 5.528 4.044 -2.564
172 H VAL 28 H VAL 28 7.167 -1.535 -3.228
173 HA VAL 28 HA VAL 28 6.422 -1.694 -6.124
174 HB VAL 28 HB VAL 28 8.667 -2.705 -5.602
175 1HG1 VAL 28 1HG1 VAL 28 7.190 -3.747 -3.392
176 2HG1 VAL 28 2HG1 VAL 28 8.908 -3.945 -3.745
177 3HG1 VAL 28 3HG1 VAL 28 7.740 -5.111 -4.368
178 1HG2 VAL 28 1HG2 VAL 28 7.766 -5.140 -6.378
179 2HG2 VAL 28 2HG2 VAL 28 7.874 -3.764 -7.475
180 3HG2 VAL 28 3HG2 VAL 28 6.333 -4.169 -6.717
181 H TRP 29 H TRP 29 4.260 -1.255 -4.900
182 HA TRP 29 HA TRP 29 2.877 -3.820 -4.556
183 1HB TRP 29 2HB TRP 29 2.215 -3.281 -2.200
184 2HB TRP 29 1HB TRP 29 3.949 -3.548 -2.376
185 HD1 TRP 29 HD1 TRP 29 5.539 -1.389 -2.334
186 HE1 TRP 29 HE1 TRP 29 5.197 0.944 -1.297
187 HE3 TRP 29 HE3 TRP 29 0.483 -1.459 -1.659
188 HZ2 TRP 29 HZ2 TRP 29 3.058 2.572 -0.313
189 HZ3 TRP 29 HZ3 TRP 29 -0.683 0.492 -0.672
190 HH2 TRP 29 HH2 TRP 29 0.597 2.504 0.000
191 H GLY 30 H GLY 30 0.623 -2.829 -3.172
192 1HA GLY 30 2HA GLY 30 -0.276 -0.294 -4.233
193 2HA GLY 30 1HA GLY 30 -0.928 -1.639 -5.170
194 H CYS 31 H CYS 31 -2.673 -2.740 -4.350
195 HA CYS 31 HA CYS 31 -3.325 -2.529 -1.460
196 1HB CYS 31 2HB CYS 31 -4.237 -0.578 -2.973
197 2HB CYS 31 1HB CYS 31 -5.405 -1.787 -3.504
198 H SER 32 H SER 32 -5.284 -3.941 -0.972
199 HA SER 32 HA SER 32 -6.041 -5.936 -2.996
200 1HB SER 32 2HB SER 32 -3.704 -6.298 -1.541
201 2HB SER 32 1HB SER 32 -4.885 -7.237 -0.632
202 HG SER 32 HG SER 32 -4.769 -8.656 -2.164
203 HA PRO 33 HA PRO 33 -9.545 -5.991 -0.336
204 1HB PRO 33 2HB PRO 33 -10.708 -8.318 -1.180
205 2HB PRO 33 1HB PRO 33 -10.721 -6.829 -2.145
206 1HG PRO 33 2HG PRO 33 -9.012 -9.244 -2.416
207 2HG PRO 33 1HG PRO 33 -9.700 -8.200 -3.668
208 1HD PRO 33 2HD PRO 33 -7.087 -8.094 -2.835
209 2HD PRO 33 1HD PRO 33 -7.955 -6.735 -3.580
210 H VAL 34 H VAL 34 -10.294 -7.061 1.588
211 HA VAL 34 HA VAL 34 -8.375 -9.074 2.679
212 HB VAL 34 HB VAL 34 -8.747 -6.879 3.820
213 1HG1 VAL 34 1HG1 VAL 34 -11.446 -7.475 3.221
214 2HG1 VAL 34 2HG1 VAL 34 -10.829 -6.070 4.089
215 3HG1 VAL 34 3HG1 VAL 34 -11.311 -7.514 4.978
216 1HG2 VAL 34 1HG2 VAL 34 -9.991 -8.823 5.690
217 2HG2 VAL 34 2HG2 VAL 34 -8.543 -7.837 5.892
218 3HG2 VAL 34 3HG2 VAL 34 -8.470 -9.329 4.953
219 H GLU 35 HN GLU 35 -10.158 -10.212 0.901
220 HA GLU 35 HA GLU 35 -12.691 -11.037 1.838
221 1HB GLU 35 2HB GLU 35 -12.008 -11.482 -0.406
222 2HB GLU 35 1HB GLU 35 -10.556 -12.329 0.127
223 1HG GLU 35 2HG GLU 35 -11.837 -14.177 0.969
224 2HG GLU 35 1HG GLU 35 -13.352 -13.295 0.767
Start of MODEL 4
1 1H ASP 1 1H ASP 1 -12.316 7.589 3.425
2 2H ASP 1 2H ASP 1 -13.204 6.142 3.384
3 3H ASP 1 3H ASP 1 -13.446 7.323 2.186
4 HA ASP 1 HA ASP 1 -11.966 5.245 1.681
5 1HB ASP 1 2HB ASP 1 -12.541 7.536 0.490
6 2HB ASP 1 1HB ASP 1 -10.882 7.942 0.929
7 H HIS 2 H HIS 2 -9.854 4.454 1.963
8 HA HIS 2 HA HIS 2 -8.275 5.731 4.147
9 1HB HIS 2 2HB HIS 2 -8.454 2.996 2.877
10 2HB HIS 2 1HB HIS 2 -7.119 3.417 3.950
11 HD1 HIS 2 HD1 HIS 2 -9.882 5.295 5.149
12 HD2 HIS 2 HD2 HIS 2 -8.786 1.284 5.467
13 HE1 HIS 2 HE1 HIS 2 -11.152 4.359 7.131
14 H VAL 3 H VAL 3 -5.745 4.970 3.661
15 HA VAL 3 HA VAL 3 -5.049 5.630 0.847
16 HB VAL 3 HB VAL 3 -5.345 7.708 2.329
17 1HG1 VAL 3 1HG1 VAL 3 -3.771 8.172 4.009
18 2HG1 VAL 3 2HG1 VAL 3 -2.636 6.962 3.412
19 3HG1 VAL 3 3HG1 VAL 3 -4.102 6.457 4.254
20 1HG2 VAL 3 1HG2 VAL 3 -2.842 8.431 1.589
21 2HG2 VAL 3 2HG2 VAL 3 -4.174 8.280 0.442
22 3HG2 VAL 3 3HG2 VAL 3 -3.021 6.960 0.634
23 H CYS 4 H CYS 4 -3.349 4.368 0.228
24 HA CYS 4 HA CYS 4 -1.480 3.345 2.341
25 1HB CYS 4 2HB CYS 4 -2.378 1.789 -0.094
26 2HB CYS 4 1HB CYS 4 -1.630 1.169 1.374
27 H ASP 5 H ASP 5 0.638 3.796 1.822
28 HA ASP 5 HA ASP 5 2.533 4.352 0.525
29 1HB ASP 5 2HB ASP 5 2.508 2.565 -0.886
30 2HB ASP 5 1HB ASP 5 0.761 2.637 -1.072
31 H ASP 6 H ASP 6 -0.207 5.994 0.609
32 HA ASP 6 HA ASP 6 -0.753 8.209 0.001
33 1HB ASP 6 2HB ASP 6 2.091 7.879 -0.351
34 2HB ASP 6 1HB ASP 6 1.464 8.938 -1.614
35 H ASN 7 H ASN 7 1.216 7.608 -2.892
36 HA ASN 7 HA ASN 7 -0.682 8.450 -4.767
37 1HB ASN 7 2HB ASN 7 0.727 7.314 -6.371
38 2HB ASN 7 1HB ASN 7 1.771 7.894 -5.072
39 1HD2 ASN 7 1HD2 ASN 7 0.063 4.957 -6.224
40 2HD2 ASN 7 2HD2 ASN 7 1.115 3.861 -5.466
41 H PHE 8 H PHE 8 -0.478 5.341 -3.120
42 HA PHE 8 HA PHE 8 -2.706 4.270 -4.803
43 1HB PHE 8 2HB PHE 8 -0.380 3.138 -4.103
44 2HB PHE 8 1HB PHE 8 -1.311 2.702 -2.670
45 HD1 PHE 8 HD1 PHE 8 -1.259 2.496 -6.389
46 HD2 PHE 8 HD2 PHE 8 -2.964 0.987 -2.746
47 HE1 PHE 8 HE1 PHE 8 -2.353 0.667 -7.659
48 HE2 PHE 8 HE2 PHE 8 -4.058 -0.843 -4.017
49 HZ PHE 8 HZ PHE 8 -3.752 -1.001 -6.472
50 H SER 9 H SER 9 -4.662 3.566 -3.763
51 HA SER 9 HA SER 9 -4.941 4.045 -0.843
52 1HB SER 9 2HB SER 9 -6.848 5.585 -1.279
53 2HB SER 9 1HB SER 9 -5.337 6.210 -1.934
54 HG SER 9 HG SER 9 -6.398 6.281 -3.745
55 H CYS 10 H CYS 10 -7.129 3.297 -0.078
56 HA CYS 10 HA CYS 10 -8.533 1.432 -1.930
57 1HB CYS 10 2HB CYS 10 -6.767 0.794 0.347
58 2HB CYS 10 1HB CYS 10 -8.323 -0.034 0.392
59 HA PRO 11 HA PRO 11 -11.915 3.280 0.252
60 1HB PRO 11 2HB PRO 11 -13.900 1.681 -0.745
61 2HB PRO 11 1HB PRO 11 -13.132 2.975 -1.688
62 1HG PRO 11 2HG PRO 11 -12.674 0.040 -1.774
63 2HG PRO 11 1HG PRO 11 -12.680 1.223 -3.090
64 1HD PRO 11 2HD PRO 11 -10.405 0.190 -1.962
65 2HD PRO 11 1HD PRO 11 -10.486 1.766 -2.781
66 H ALA 12 H ALA 12 -10.827 2.166 2.255
67 HA ALA 12 HA ALA 12 -10.971 0.690 4.118
68 1HB ALA 12 1HB ALA 12 -13.510 0.549 4.733
69 2HB ALA 12 2HB ALA 12 -13.733 1.582 3.322
70 3HB ALA 12 3HB ALA 12 -12.740 2.135 4.670
71 H GLY 13 H GLY 13 -11.045 -0.628 1.364
72 1HA GLY 13 2HA GLY 13 -12.288 -3.187 2.276
73 2HA GLY 13 1HA GLY 13 -12.508 -2.622 0.618
74 H SER 14 H SER 14 -9.608 -2.590 2.694
75 HA SER 14 HA SER 14 -8.289 -4.760 1.308
76 1HB SER 14 2HB SER 14 -8.321 -2.077 0.152
77 2HB SER 14 1HB SER 14 -6.681 -2.657 0.419
78 HG SER 14 HG SER 14 -8.522 -3.432 -1.412
79 H THR 15 H THR 15 -5.623 -3.737 1.501
80 HA THR 15 HA THR 15 -5.331 -2.791 4.305
81 HB THR 15 HB THR 15 -3.734 -5.177 3.532
82 HG1 THR 15 HG1 THR 15 -5.674 -5.864 2.762
83 1HG2 THR 15 1HG2 THR 15 -4.458 -3.758 5.875
84 2HG2 THR 15 2HG2 THR 15 -3.457 -5.205 5.760
85 3HG2 THR 15 3HG2 THR 15 -5.197 -5.355 6.000
86 H CYS 16 H CYS 16 -3.795 -1.196 4.195
87 HA CYS 16 HA CYS 16 -2.086 -0.786 1.906
88 1HB CYS 16 2HB CYS 16 -1.685 0.286 4.710
89 2HB CYS 16 1HB CYS 16 -1.268 1.070 3.189
90 H SER 17 H SER 17 -0.639 -2.489 1.499
91 HA SER 17 HA SER 17 1.063 -3.429 3.776
92 1HB SER 17 2HB SER 17 1.479 -5.043 1.535
93 2HB SER 17 1HB SER 17 0.418 -5.408 2.893
94 HG SER 17 HG SER 17 -0.372 -5.212 0.511
95 H SER 18 H SER 18 3.216 -2.902 3.765
96 HA SER 18 HA SER 18 4.288 -1.295 1.532
97 1HB SER 18 2HB SER 18 5.200 -2.120 4.293
98 2HB SER 18 1HB SER 18 6.269 -1.255 3.192
99 HG SER 18 HG SER 18 5.104 0.500 3.438
100 H ALA 19 H ALA 19 5.507 -2.193 -0.081
101 HA ALA 19 HA ALA 19 7.461 -4.267 0.313
102 1HB ALA 19 1HB ALA 19 5.800 -5.785 -1.268
103 2HB ALA 19 2HB ALA 19 4.646 -4.989 -0.198
104 3HB ALA 19 3HB ALA 19 5.948 -5.967 0.481
105 H PHE 20 H PHE 20 8.288 -5.072 -1.872
106 HA PHE 20 HA PHE 20 7.675 -3.072 -4.022
107 1HB PHE 20 2HB PHE 20 10.278 -3.943 -4.464
108 2HB PHE 20 1HB PHE 20 9.822 -2.422 -3.709
109 HD1 PHE 20 HD1 PHE 20 9.285 -2.593 -1.097
110 HD2 PHE 20 HD2 PHE 20 11.676 -5.393 -3.309
111 HE1 PHE 20 HE1 PHE 20 10.378 -3.322 1.006
112 HE2 PHE 20 HE2 PHE 20 12.766 -6.121 -1.207
113 HZ PHE 20 HZ PHE 20 12.118 -5.087 0.952
114 H GLY 21 H GLY 21 9.804 -5.918 -4.108
115 1HA GLY 21 2HA GLY 21 7.841 -7.315 -5.841
116 2HA GLY 21 1HA GLY 21 9.423 -6.949 -6.524
117 H PHE 22 H PHE 22 11.322 -7.733 -5.086
118 HA PHE 22 HA PHE 22 10.713 -10.096 -3.425
119 1HB PHE 22 2HB PHE 22 11.815 -11.640 -4.960
120 2HB PHE 22 1HB PHE 22 10.537 -10.792 -5.831
121 HD1 PHE 22 HD1 PHE 22 11.229 -8.599 -7.072
122 HD2 PHE 22 HD2 PHE 22 14.004 -11.620 -5.799
123 HE1 PHE 22 HE1 PHE 22 12.901 -7.748 -8.696
124 HE2 PHE 22 HE2 PHE 22 15.675 -10.770 -7.423
125 HZ PHE 22 HZ PHE 22 15.122 -8.835 -8.872
126 H ARG 23 H ARG 23 13.161 -8.088 -5.054
127 HA ARG 23 HA ARG 23 15.204 -8.978 -3.077
128 1HB ARG 23 2HB ARG 23 15.805 -9.048 -5.427
129 2HB ARG 23 1HB ARG 23 15.300 -7.371 -5.645
130 1HG ARG 23 2HG ARG 23 17.047 -6.630 -4.076
131 2HG ARG 23 1HG ARG 23 17.552 -8.304 -3.842
132 1HD ARG 23 2HD ARG 23 18.618 -8.402 -5.879
133 2HD ARG 23 1HD ARG 23 17.426 -7.346 -6.663
134 HE ARG 23 HE ARG 23 18.879 -5.887 -4.648
135 1HH1 ARG 23 1HH2 ARG 23 18.263 -4.685 -7.262
136 2HH1 ARG 23 2HH2 ARG 23 19.804 -4.654 -8.052
137 1HH2 ARG 23 2HH1 ARG 23 21.250 -6.951 -5.892
138 2HH2 ARG 23 1HH1 ARG 23 21.498 -5.936 -7.274
139 H ASN 24 H ASN 24 15.163 -5.808 -4.608
140 HA ASN 24 HA ASN 24 14.305 -4.423 -2.153
141 1HB ASN 24 2HB ASN 24 16.626 -5.162 -1.696
142 2HB ASN 24 1HB ASN 24 17.168 -4.329 -3.154
143 1HD2 ASN 24 1HD2 ASN 24 18.153 -3.611 -0.547
144 2HD2 ASN 24 2HD2 ASN 24 17.601 -2.048 -0.186
145 H LEU 25 H LEU 25 12.973 -3.993 -4.386
146 HA LEU 25 HA LEU 25 14.232 -1.856 -6.008
147 1HB LEU 25 2HB LEU 25 12.224 -3.873 -6.299
148 2HB LEU 25 1HB LEU 25 11.461 -2.308 -6.584
149 HG LEU 25 HG LEU 25 12.335 -3.085 -8.696
150 1HD1 LEU 25 1HD1 LEU 25 14.453 -1.159 -7.776
151 2HD1 LEU 25 2HD1 LEU 25 12.765 -0.649 -7.830
152 3HD1 LEU 25 3HD1 LEU 25 13.570 -1.192 -9.303
153 1HD2 LEU 25 1HD2 LEU 25 13.968 -4.674 -8.341
154 2HD2 LEU 25 2HD2 LEU 25 14.683 -3.789 -6.994
155 3HD2 LEU 25 3HD2 LEU 25 15.012 -3.287 -8.651
156 H SER 26 H SER 26 13.853 -1.165 -3.258
157 HA SER 26 HA SER 26 13.051 0.718 -2.054
158 1HB SER 26 2HB SER 26 13.116 1.539 -4.581
159 2HB SER 26 1HB SER 26 11.363 1.461 -4.426
160 HG SER 26 HG SER 26 11.976 3.481 -3.770
161 H LEU 27 H LEU 27 10.413 1.820 -2.136
162 HA LEU 27 HA LEU 27 8.931 -0.299 -0.813
163 1HB LEU 27 2HB LEU 27 8.741 2.588 -1.354
164 2HB LEU 27 1HB LEU 27 7.174 1.781 -1.282
165 HG LEU 27 HG LEU 27 7.619 0.915 0.910
166 1HD1 LEU 27 1HD1 LEU 27 9.758 0.283 1.294
167 2HD1 LEU 27 2HD1 LEU 27 10.049 1.962 1.749
168 3HD1 LEU 27 3HD1 LEU 27 10.390 1.421 0.105
169 1HD2 LEU 27 1HD2 LEU 27 7.220 2.898 1.921
170 2HD2 LEU 27 2HD2 LEU 27 7.489 3.645 0.346
171 3HD2 LEU 27 3HD2 LEU 27 8.817 3.515 1.499
172 H VAL 28 H VAL 28 7.233 1.716 -3.123
173 HA VAL 28 HA VAL 28 5.956 1.160 -5.033
174 HB VAL 28 HB VAL 28 7.624 -1.361 -5.109
175 1HG1 VAL 28 1HG1 VAL 28 5.792 -1.040 -6.772
176 2HG1 VAL 28 2HG1 VAL 28 7.387 -1.076 -7.524
177 3HG1 VAL 28 3HG1 VAL 28 6.558 0.463 -7.286
178 1HG2 VAL 28 1HG2 VAL 28 9.229 0.384 -4.703
179 2HG2 VAL 28 2HG2 VAL 28 8.404 1.483 -5.809
180 3HG2 VAL 28 3HG2 VAL 28 9.258 0.074 -6.439
181 H TRP 29 H TRP 29 4.227 0.783 -3.289
182 HA TRP 29 HA TRP 29 3.157 -1.963 -3.612
183 1HB TRP 29 2HB TRP 29 2.809 -2.030 -1.082
184 2HB TRP 29 1HB TRP 29 4.475 -2.202 -1.626
185 HD1 TRP 29 HD1 TRP 29 6.034 0.033 -1.471
186 HE1 TRP 29 HE1 TRP 29 5.953 1.986 0.211
187 HE3 TRP 29 HE3 TRP 29 1.317 -0.592 0.383
188 HZ2 TRP 29 HZ2 TRP 29 4.128 3.131 2.094
189 HZ3 TRP 29 HZ3 TRP 29 0.436 0.937 2.119
190 HH2 TRP 29 HH2 TRP 29 1.831 2.798 2.976
191 H GLY 30 H GLY 30 0.957 -1.946 -2.161
192 1HA GLY 30 2HA GLY 30 -0.360 0.680 -2.145
193 2HA GLY 30 1HA GLY 30 -0.974 -0.443 -3.359
194 H CYS 31 H CYS 31 -2.739 -1.532 -2.662
195 HA CYS 31 HA CYS 31 -2.758 -2.627 0.099
196 1HB CYS 31 2HB CYS 31 -5.110 -1.661 0.328
197 2HB CYS 31 1HB CYS 31 -3.799 -0.487 0.375
198 H SER 32 H SER 32 -3.662 -4.651 0.112
199 HA SER 32 HA SER 32 -4.858 -5.667 -2.411
200 1HB SER 32 2HB SER 32 -4.672 -7.705 -0.495
201 2HB SER 32 1HB SER 32 -3.503 -7.364 -1.768
202 HG SER 32 HG SER 32 -3.552 -6.370 0.891
203 HA PRO 33 HA PRO 33 -8.945 -5.599 -0.778
204 1HB PRO 33 2HB PRO 33 -10.043 -7.681 -2.174
205 2HB PRO 33 1HB PRO 33 -9.673 -6.111 -2.913
206 1HG PRO 33 2HG PRO 33 -8.146 -8.663 -3.028
207 2HG PRO 33 1HG PRO 33 -8.419 -7.452 -4.292
208 1HD PRO 33 2HD PRO 33 -6.094 -7.655 -2.876
209 2HD PRO 33 1HD PRO 33 -6.683 -6.137 -3.587
210 H VAL 34 H VAL 34 -9.665 -6.400 1.168
211 HA VAL 34 HA VAL 34 -8.583 -8.969 2.162
212 HB VAL 34 HB VAL 34 -8.660 -6.783 3.446
213 1HG1 VAL 34 1HG1 VAL 34 -10.857 -6.014 2.703
214 2HG1 VAL 34 2HG1 VAL 34 -10.867 -6.206 4.456
215 3HG1 VAL 34 3HG1 VAL 34 -11.625 -7.424 3.432
216 1HG2 VAL 34 1HG2 VAL 34 -8.386 -8.321 5.085
217 2HG2 VAL 34 2HG2 VAL 34 -9.505 -9.447 4.316
218 3HG2 VAL 34 3HG2 VAL 34 -10.119 -8.172 5.369
219 H GLU 35 HN GLU 35 -10.554 -9.094 -0.010
220 HA GLU 35 HA GLU 35 -12.452 -10.952 1.237
221 1HB GLU 35 2HB GLU 35 -13.184 -8.398 1.409
222 2HB GLU 35 1HB GLU 35 -13.689 -8.667 -0.260
223 1HG GLU 35 2HG GLU 35 -15.494 -9.839 0.404
224 2HG GLU 35 1HG GLU 35 -14.506 -10.880 1.431
Start of MODEL 5
1 1H ASP 1 1H ASP 1 -12.746 5.950 3.523
2 2H ASP 1 2H ASP 1 -12.776 6.725 2.011
3 3H ASP 1 3H ASP 1 -11.563 7.103 3.139
4 HA ASP 1 HA ASP 1 -11.797 4.315 2.244
5 1HB ASP 1 2HB ASP 1 -10.607 4.848 0.201
6 2HB ASP 1 1HB ASP 1 -12.034 5.883 0.270
7 H HIS 2 H HIS 2 -9.220 3.869 1.678
8 HA HIS 2 HA HIS 2 -7.681 5.001 3.995
9 1HB HIS 2 2HB HIS 2 -7.770 2.203 2.818
10 2HB HIS 2 1HB HIS 2 -6.643 2.709 4.077
11 HD1 HIS 2 HD1 HIS 2 -7.556 3.005 6.452
12 HD2 HIS 2 HD2 HIS 2 -10.526 2.103 3.670
13 HE1 HIS 2 HE1 HIS 2 -9.651 2.500 7.781
14 H VAL 3 H VAL 3 -5.398 5.278 3.618
15 HA VAL 3 HA VAL 3 -4.601 5.175 0.727
16 HB VAL 3 HB VAL 3 -3.442 7.292 1.136
17 1HG1 VAL 3 1HG1 VAL 3 -5.529 7.983 0.523
18 2HG1 VAL 3 2HG1 VAL 3 -5.646 8.490 2.208
19 3HG1 VAL 3 3HG1 VAL 3 -6.326 6.942 1.704
20 1HG2 VAL 3 1HG2 VAL 3 -4.309 6.762 3.984
21 2HG2 VAL 3 2HG2 VAL 3 -3.887 8.383 3.431
22 3HG2 VAL 3 3HG2 VAL 3 -2.684 7.094 3.382
23 H CYS 4 H CYS 4 -2.796 3.952 0.384
24 HA CYS 4 HA CYS 4 -1.250 2.947 2.695
25 1HB CYS 4 2HB CYS 4 -1.055 2.422 -0.290
26 2HB CYS 4 1HB CYS 4 -0.304 1.459 0.982
27 H ASP 5 H ASP 5 -0.777 4.970 -0.189
28 HA ASP 5 HA ASP 5 1.587 6.214 1.071
29 1HB ASP 5 2HB ASP 5 2.329 4.100 -0.089
30 2HB ASP 5 1HB ASP 5 1.753 4.794 -1.605
31 H ASP 6 H ASP 6 2.022 8.268 0.154
32 HA ASP 6 HA ASP 6 0.024 9.853 -0.889
33 1HB ASP 6 2HB ASP 6 2.960 9.934 -1.655
34 2HB ASP 6 1HB ASP 6 1.847 11.304 -1.640
35 H ASN 7 H ASN 7 2.027 7.558 -2.685
36 HA ASN 7 HA ASN 7 0.747 8.420 -5.238
37 1HB ASN 7 2HB ASN 7 2.679 7.650 -6.243
38 2HB ASN 7 1HB ASN 7 3.326 7.962 -4.635
39 1HD2 ASN 7 1HD2 ASN 7 2.581 5.801 -3.127
40 2HD2 ASN 7 2HD2 ASN 7 3.136 4.351 -3.811
41 H PHE 8 H PHE 8 -0.619 6.826 -3.078
42 HA PHE 8 HA PHE 8 -1.726 4.740 -4.830
43 1HB PHE 8 2HB PHE 8 0.457 4.174 -3.163
44 2HB PHE 8 1HB PHE 8 -0.941 3.551 -2.287
45 HD1 PHE 8 HD1 PHE 8 -2.079 1.591 -3.009
46 HD2 PHE 8 HD2 PHE 8 0.821 3.462 -5.568
47 HE1 PHE 8 HE1 PHE 8 -2.173 -0.357 -4.541
48 HE2 PHE 8 HE2 PHE 8 0.727 1.515 -7.100
49 HZ PHE 8 HZ PHE 8 -0.770 -0.396 -6.586
50 H SER 9 H SER 9 -3.494 3.504 -3.495
51 HA SER 9 HA SER 9 -4.532 4.824 -1.109
52 1HB SER 9 2HB SER 9 -6.585 5.660 -2.359
53 2HB SER 9 1HB SER 9 -5.093 6.526 -2.717
54 HG SER 9 HG SER 9 -6.687 5.277 -4.401
55 H CYS 10 H CYS 10 -7.143 4.101 -1.154
56 HA CYS 10 HA CYS 10 -7.877 1.650 -2.377
57 1HB CYS 10 2HB CYS 10 -5.829 1.471 -0.359
58 2HB CYS 10 1HB CYS 10 -7.270 0.619 0.196
59 HA PRO 11 HA PRO 11 -11.503 2.784 -0.151
60 1HB PRO 11 2HB PRO 11 -12.979 0.517 -0.561
61 2HB PRO 11 1HB PRO 11 -12.684 1.719 -1.834
62 1HG PRO 11 2HG PRO 11 -11.387 -0.915 -1.380
63 2HG PRO 11 1HG PRO 11 -11.810 -0.111 -2.897
64 1HD PRO 11 2HD PRO 11 -9.275 -0.196 -1.848
65 2HD PRO 11 1HD PRO 11 -9.853 1.058 -2.967
66 H ALA 12 H ALA 12 -13.160 0.952 1.245
67 HA ALA 12 HA ALA 12 -11.464 0.407 3.616
68 1HB ALA 12 1HB ALA 12 -14.455 0.357 3.097
69 2HB ALA 12 2HB ALA 12 -13.550 1.674 3.843
70 3HB ALA 12 3HB ALA 12 -13.710 0.130 4.679
71 H GLY 13 H GLY 13 -12.742 -1.285 0.942
72 1HA GLY 13 2HA GLY 13 -13.156 -3.836 2.312
73 2HA GLY 13 1HA GLY 13 -13.187 -3.581 0.567
74 H SER 14 H SER 14 -10.515 -2.210 0.674
75 HA SER 14 HA SER 14 -8.880 -4.707 0.769
76 1HB SER 14 2HB SER 14 -9.145 -2.425 -0.964
77 2HB SER 14 1HB SER 14 -7.490 -2.504 -0.370
78 HG SER 14 HG SER 14 -7.576 -3.817 -2.138
79 H THR 15 H THR 15 -6.421 -4.035 1.269
80 HA THR 15 HA THR 15 -6.350 -2.150 3.591
81 HB THR 15 HB THR 15 -4.749 -4.251 4.370
82 HG1 THR 15 HG1 THR 15 -5.344 -5.922 3.279
83 1HG2 THR 15 1HG2 THR 15 -6.464 -4.720 5.980
84 2HG2 THR 15 2HG2 THR 15 -7.721 -4.098 4.911
85 3HG2 THR 15 3HG2 THR 15 -6.551 -2.992 5.635
86 H CYS 16 H CYS 16 -4.048 -1.633 4.191
87 HA CYS 16 HA CYS 16 -2.417 -1.279 1.754
88 1HB CYS 16 2HB CYS 16 -2.351 -0.302 4.614
89 2HB CYS 16 1HB CYS 16 -1.048 0.060 3.482
90 H SER 17 H SER 17 -1.064 -2.968 1.234
91 HA SER 17 HA SER 17 -0.198 -4.996 3.073
92 1HB SER 17 2HB SER 17 -0.372 -5.258 0.626
93 2HB SER 17 1HB SER 17 0.906 -4.067 0.400
94 HG SER 17 HG SER 17 1.438 -6.201 2.105
95 H SER 18 H SER 18 2.532 -3.804 1.384
96 HA SER 18 HA SER 18 3.621 -1.828 3.039
97 1HB SER 18 2HB SER 18 3.246 -4.346 4.364
98 2HB SER 18 1HB SER 18 4.975 -4.033 4.240
99 HG SER 18 HG SER 18 4.192 -1.783 4.941
100 H ALA 19 H ALA 19 5.056 -1.194 1.484
101 HA ALA 19 HA ALA 19 6.987 -1.242 0.130
102 1HB ALA 19 1HB ALA 19 8.684 -2.547 0.981
103 2HB ALA 19 2HB ALA 19 7.659 -3.976 1.111
104 3HB ALA 19 3HB ALA 19 7.545 -2.696 2.319
105 H PHE 20 H PHE 20 8.112 -2.856 -1.527
106 HA PHE 20 HA PHE 20 6.373 -3.463 -3.596
107 1HB PHE 20 2HB PHE 20 9.069 -4.350 -2.698
108 2HB PHE 20 1HB PHE 20 8.323 -5.276 -4.002
109 HD1 PHE 20 HD1 PHE 20 9.361 -1.876 -2.938
110 HD2 PHE 20 HD2 PHE 20 8.093 -4.363 -6.201
111 HE1 PHE 20 HE1 PHE 20 9.940 -0.073 -4.536
112 HE2 PHE 20 HE2 PHE 20 8.672 -2.558 -7.803
113 HZ PHE 20 HZ PHE 20 9.596 -0.411 -6.968
114 H GLY 21 H GLY 21 6.086 -5.861 -4.465
115 1HA GLY 21 2HA GLY 21 4.689 -7.350 -2.308
116 2HA GLY 21 1HA GLY 21 4.420 -7.562 -4.037
117 H PHE 22 H PHE 22 7.678 -7.390 -3.777
118 HA PHE 22 HA PHE 22 8.018 -10.280 -3.093
119 1HB PHE 22 2HB PHE 22 7.673 -10.065 -5.516
120 2HB PHE 22 1HB PHE 22 8.941 -8.844 -5.606
121 HD1 PHE 22 HD1 PHE 22 11.032 -9.577 -6.316
122 HD2 PHE 22 HD2 PHE 22 8.478 -12.295 -4.183
123 HE1 PHE 22 HE1 PHE 22 12.736 -11.365 -6.552
124 HE2 PHE 22 HE2 PHE 22 10.182 -14.080 -4.419
125 HZ PHE 22 HZ PHE 22 12.311 -13.615 -5.604
126 H ARG 23 H ARG 23 10.539 -8.510 -4.709
127 HA ARG 23 HA ARG 23 12.342 -8.793 -2.460
128 1HB ARG 23 2HB ARG 23 12.546 -8.509 -5.166
129 2HB ARG 23 1HB ARG 23 12.946 -6.874 -4.641
130 1HG ARG 23 2HG ARG 23 14.995 -7.546 -4.005
131 2HG ARG 23 1HG ARG 23 14.289 -8.756 -2.933
132 1HD ARG 23 2HD ARG 23 14.464 -10.456 -4.509
133 2HD ARG 23 1HD ARG 23 14.362 -9.333 -5.880
134 HE ARG 23 HE ARG 23 16.695 -8.618 -4.499
135 1HH1 ARG 23 1HH2 ARG 23 15.382 -11.323 -6.195
136 2HH1 ARG 23 2HH2 ARG 23 16.929 -11.979 -6.610
137 1HH2 ARG 23 2HH1 ARG 23 18.720 -9.497 -4.984
138 2HH2 ARG 23 1HH1 ARG 23 18.818 -10.946 -5.927
139 H ASN 24 H ASN 24 13.630 -6.171 -2.774
140 HA ASN 24 HA ASN 24 11.627 -4.437 -1.367
141 1HB ASN 24 2HB ASN 24 13.814 -3.621 -0.198
142 2HB ASN 24 1HB ASN 24 13.145 -5.179 0.284
143 1HD2 ASN 24 1HD2 ASN 24 14.796 -6.688 0.497
144 2HD2 ASN 24 2HD2 ASN 24 16.151 -6.806 -0.518
145 H LEU 25 H LEU 25 11.990 -4.292 -4.159
146 HA LEU 25 HA LEU 25 13.884 -2.682 -5.332
147 1HB LEU 25 2HB LEU 25 10.882 -2.825 -5.530
148 2HB LEU 25 1HB LEU 25 11.784 -1.717 -6.566
149 HG LEU 25 HG LEU 25 13.167 -4.185 -6.645
150 1HD1 LEU 25 1HD1 LEU 25 10.647 -4.811 -5.841
151 2HD1 LEU 25 2HD1 LEU 25 11.627 -5.861 -6.865
152 3HD1 LEU 25 3HD1 LEU 25 10.423 -4.796 -7.591
153 1HD2 LEU 25 1HD2 LEU 25 11.573 -2.455 -8.482
154 2HD2 LEU 25 2HD2 LEU 25 11.947 -4.088 -9.034
155 3HD2 LEU 25 3HD2 LEU 25 13.252 -2.981 -8.609
156 H SER 26 H SER 26 11.431 -1.641 -3.010
157 HA SER 26 HA SER 26 12.872 0.694 -2.206
158 1HB SER 26 2HB SER 26 11.591 0.905 -4.710
159 2HB SER 26 1HB SER 26 10.580 1.813 -3.591
160 HG SER 26 HG SER 26 12.048 3.295 -3.885
161 H LEU 27 H LEU 27 9.370 0.611 -2.904
162 HA LEU 27 HA LEU 27 8.589 -0.368 -0.311
163 1HB LEU 27 2HB LEU 27 8.395 1.585 0.921
164 2HB LEU 27 1HB LEU 27 9.784 1.997 -0.079
165 HG LEU 27 HG LEU 27 6.899 2.796 -0.561
166 1HD1 LEU 27 1HD1 LEU 27 7.893 5.090 -0.347
167 2HD1 LEU 27 2HD1 LEU 27 9.418 4.335 0.119
168 3HD1 LEU 27 3HD1 LEU 27 7.990 4.138 1.135
169 1HD2 LEU 27 1HD2 LEU 27 7.552 3.757 -2.618
170 2HD2 LEU 27 2HD2 LEU 27 8.364 2.192 -2.630
171 3HD2 LEU 27 3HD2 LEU 27 9.268 3.652 -2.226
172 H VAL 28 H VAL 28 7.805 -0.275 -3.288
173 HA VAL 28 HA VAL 28 5.398 1.041 -3.802
174 HB VAL 28 HB VAL 28 6.517 -1.676 -4.477
175 1HG1 VAL 28 1HG1 VAL 28 4.068 -1.957 -4.454
176 2HG1 VAL 28 2HG1 VAL 28 4.682 -1.978 -6.106
177 3HG1 VAL 28 3HG1 VAL 28 3.891 -0.533 -5.481
178 1HG2 VAL 28 1HG2 VAL 28 5.791 0.567 -6.353
179 2HG2 VAL 28 2HG2 VAL 28 7.008 -0.691 -6.555
180 3HG2 VAL 28 3HG2 VAL 28 7.287 0.630 -5.422
181 H TRP 29 H TRP 29 3.134 -0.159 -3.786
182 HA TRP 29 HA TRP 29 2.835 -1.619 -1.186
183 1HB TRP 29 2HB TRP 29 1.230 0.682 -2.330
184 2HB TRP 29 1HB TRP 29 0.760 -0.230 -0.893
185 HD1 TRP 29 HD1 TRP 29 3.760 1.836 -2.189
186 HE1 TRP 29 HE1 TRP 29 4.903 2.945 -0.161
187 HE3 TRP 29 HE3 TRP 29 0.983 -0.173 1.590
188 HZ2 TRP 29 HZ2 TRP 29 4.674 2.969 2.691
189 HZ3 TRP 29 HZ3 TRP 29 1.469 0.399 3.951
190 HH2 TRP 29 HH2 TRP 29 3.309 1.970 4.506
191 H GLY 30 H GLY 30 1.526 -3.403 -1.294
192 1HA GLY 30 2HA GLY 30 0.106 -3.876 -3.886
193 2HA GLY 30 1HA GLY 30 0.738 -5.159 -2.853
194 H CYS 31 H CYS 31 -1.751 -2.638 -3.043
195 HA CYS 31 HA CYS 31 -3.174 -3.146 -0.668
196 1HB CYS 31 2HB CYS 31 -3.524 -1.845 -3.202
197 2HB CYS 31 1HB CYS 31 -5.006 -2.718 -2.814
198 H SER 32 H SER 32 -4.872 -4.620 -0.152
199 HA SER 32 HA SER 32 -5.445 -6.802 -2.103
200 1HB SER 32 2HB SER 32 -4.297 -7.075 0.689
201 2HB SER 32 1HB SER 32 -4.970 -8.428 -0.217
202 HG SER 32 HG SER 32 -2.545 -7.634 -0.332
203 HA PRO 33 HA PRO 33 -9.461 -6.136 -0.381
204 1HB PRO 33 2HB PRO 33 -10.687 -8.326 -1.472
205 2HB PRO 33 1HB PRO 33 -10.285 -6.874 -2.414
206 1HG PRO 33 2HG PRO 33 -8.856 -9.481 -2.254
207 2HG PRO 33 1HG PRO 33 -9.136 -8.432 -3.651
208 1HD PRO 33 2HD PRO 33 -6.767 -8.542 -2.310
209 2HD PRO 33 1HD PRO 33 -7.335 -7.101 -3.181
210 H VAL 34 H VAL 34 -9.864 -6.588 1.756
211 HA VAL 34 HA VAL 34 -8.878 -8.964 3.087
212 HB VAL 34 HB VAL 34 -10.988 -6.963 3.957
213 1HG1 VAL 34 1HG1 VAL 34 -10.314 -7.540 6.195
214 2HG1 VAL 34 2HG1 VAL 34 -8.956 -8.496 5.601
215 3HG1 VAL 34 3HG1 VAL 34 -10.608 -9.055 5.341
216 1HG2 VAL 34 1HG2 VAL 34 -9.313 -5.458 3.592
217 2HG2 VAL 34 2HG2 VAL 34 -8.075 -6.711 3.507
218 3HG2 VAL 34 3HG2 VAL 34 -8.634 -6.129 5.074
219 H GLU 35 HN GLU 35 -10.054 -10.400 1.352
220 HA GLU 35 HA GLU 35 -12.881 -10.718 1.311
221 1HB GLU 35 2HB GLU 35 -12.328 -12.886 0.322
222 2HB GLU 35 1HB GLU 35 -11.183 -11.677 -0.262
223 1HG GLU 35 2HG GLU 35 -9.587 -12.383 1.526
224 2HG GLU 35 1HG GLU 35 -10.714 -13.662 1.981
Start of MODEL 6
1 1H ASP 1 1H ASP 1 -11.349 8.220 1.800
2 2H ASP 1 2H ASP 1 -11.852 6.636 2.156
3 3H ASP 1 3H ASP 1 -12.348 7.384 0.712
4 HA ASP 1 HA ASP 1 -10.640 5.942 0.040
5 1HB ASP 1 2HB ASP 1 -9.738 8.793 0.528
6 2HB ASP 1 1HB ASP 1 -8.836 7.670 -0.491
7 H HIS 2 H HIS 2 -8.972 4.608 0.706
8 HA HIS 2 HA HIS 2 -7.778 5.153 3.396
9 1HB HIS 2 2HB HIS 2 -8.046 2.607 1.760
10 2HB HIS 2 1HB HIS 2 -7.439 2.705 3.411
11 HD1 HIS 2 HD1 HIS 2 -9.280 4.057 5.077
12 HD2 HIS 2 HD2 HIS 2 -10.751 2.028 1.740
13 HE1 HIS 2 HE1 HIS 2 -11.746 3.670 5.503
14 H VAL 3 H VAL 3 -6.176 6.638 2.307
15 HA VAL 3 HA VAL 3 -4.338 5.655 0.302
16 HB VAL 3 HB VAL 3 -3.226 7.744 0.709
17 1HG1 VAL 3 1HG1 VAL 3 -5.636 9.020 1.456
18 2HG1 VAL 3 2HG1 VAL 3 -6.103 7.573 0.562
19 3HG1 VAL 3 3HG1 VAL 3 -5.027 8.759 -0.177
20 1HG2 VAL 3 1HG2 VAL 3 -2.971 7.493 3.145
21 2HG2 VAL 3 2HG2 VAL 3 -4.698 7.773 3.361
22 3HG2 VAL 3 3HG2 VAL 3 -3.665 9.066 2.756
23 H CYS 4 H CYS 4 -2.172 4.952 0.591
24 HA CYS 4 HA CYS 4 -1.597 3.783 3.282
25 1HB CYS 4 2HB CYS 4 -0.473 3.258 0.510
26 2HB CYS 4 1HB CYS 4 -0.066 2.342 1.962
27 H ASP 5 H ASP 5 0.493 4.903 0.609
28 HA ASP 5 HA ASP 5 2.053 6.501 2.618
29 1HB ASP 5 2HB ASP 5 3.099 4.375 1.799
30 2HB ASP 5 1HB ASP 5 3.029 5.013 0.159
31 H ASP 6 H ASP 6 -0.108 7.599 1.098
32 HA ASP 6 HA ASP 6 -0.484 9.622 -0.079
33 1HB ASP 6 2HB ASP 6 1.928 9.969 0.940
34 2HB ASP 6 1HB ASP 6 2.443 9.753 -0.734
35 H ASN 7 H ASN 7 0.798 6.783 -1.365
36 HA ASN 7 HA ASN 7 0.310 7.775 -4.156
37 1HB ASN 7 2HB ASN 7 2.130 6.427 -4.881
38 2HB ASN 7 1HB ASN 7 2.705 7.172 -3.390
39 1HD2 ASN 7 1HD2 ASN 7 2.986 5.804 -1.518
40 2HD2 ASN 7 2HD2 ASN 7 2.893 4.111 -1.615
41 H PHE 8 H PHE 8 -1.263 6.222 -1.895
42 HA PHE 8 HA PHE 8 -2.424 4.219 -3.784
43 1HB PHE 8 2HB PHE 8 -0.946 3.797 -1.287
44 2HB PHE 8 1HB PHE 8 -2.527 3.016 -1.279
45 HD1 PHE 8 HD1 PHE 8 -3.145 1.794 -3.582
46 HD2 PHE 8 HD2 PHE 8 0.840 2.625 -2.209
47 HE1 PHE 8 HE1 PHE 8 -2.265 0.001 -5.053
48 HE2 PHE 8 HE2 PHE 8 1.719 0.832 -3.679
49 HZ PHE 8 HZ PHE 8 0.168 -0.480 -5.099
50 H SER 9 H SER 9 -4.502 3.265 -2.436
51 HA SER 9 HA SER 9 -5.812 5.250 -0.726
52 1HB SER 9 2HB SER 9 -6.211 6.451 -2.687
53 2HB SER 9 1HB SER 9 -6.328 4.995 -3.671
54 HG SER 9 HG SER 9 -8.221 6.217 -2.013
55 H CYS 10 H CYS 10 -6.324 2.474 -2.926
56 HA CYS 10 HA CYS 10 -7.822 0.640 -2.708
57 1HB CYS 10 2HB CYS 10 -7.227 0.824 0.238
58 2HB CYS 10 1HB CYS 10 -7.274 -0.603 -0.793
59 HA PRO 11 HA PRO 11 -11.232 3.352 -1.256
60 1HB PRO 11 2HB PRO 11 -12.969 2.571 -3.230
61 2HB PRO 11 1HB PRO 11 -11.771 3.865 -3.438
62 1HG PRO 11 2HG PRO 11 -11.641 1.010 -4.298
63 2HG PRO 11 1HG PRO 11 -11.143 2.473 -5.166
64 1HD PRO 11 2HD PRO 11 -9.373 0.856 -3.916
65 2HD PRO 11 1HD PRO 11 -9.134 2.615 -4.047
66 H ALA 12 H ALA 12 -11.720 0.029 -2.548
67 HA ALA 12 HA ALA 12 -14.014 -0.636 -1.044
68 1HB ALA 12 1HB ALA 12 -13.576 -2.362 -2.453
69 2HB ALA 12 2HB ALA 12 -12.477 -2.955 -1.208
70 3HB ALA 12 3HB ALA 12 -11.862 -1.955 -2.524
71 H GLY 13 H GLY 13 -10.661 -0.404 -0.067
72 1HA GLY 13 2HA GLY 13 -10.471 0.070 2.442
73 2HA GLY 13 1HA GLY 13 -11.404 -1.416 2.644
74 H SER 14 H SER 14 -10.331 -3.206 1.016
75 HA SER 14 HA SER 14 -8.552 -4.793 1.105
76 1HB SER 14 2HB SER 14 -6.876 -2.420 0.339
77 2HB SER 14 1HB SER 14 -6.902 -4.033 -0.367
78 HG SER 14 HG SER 14 -8.281 -3.265 -1.739
79 H THR 15 H THR 15 -5.730 -3.844 1.469
80 HA THR 15 HA THR 15 -5.449 -2.738 4.130
81 HB THR 15 HB THR 15 -5.540 -5.722 3.686
82 HG1 THR 15 HG1 THR 15 -7.004 -5.611 5.252
83 1HG2 THR 15 1HG2 THR 15 -3.763 -4.190 5.504
84 2HG2 THR 15 2HG2 THR 15 -3.565 -5.810 4.835
85 3HG2 THR 15 3HG2 THR 15 -4.621 -5.552 6.224
86 H CYS 16 H CYS 16 -3.823 -1.561 2.873
87 HA CYS 16 HA CYS 16 -1.778 -2.516 1.275
88 1HB CYS 16 2HB CYS 16 -2.242 -0.288 3.123
89 2HB CYS 16 1HB CYS 16 -0.530 -0.667 2.929
90 H SER 17 H SER 17 0.572 -2.928 1.904
91 HA SER 17 HA SER 17 1.015 -4.060 4.597
92 1HB SER 17 2HB SER 17 0.570 -5.617 2.077
93 2HB SER 17 1HB SER 17 1.689 -6.255 3.277
94 HG SER 17 HG SER 17 -0.658 -6.818 3.432
95 H SER 18 H SER 18 2.184 -2.089 2.476
96 HA SER 18 HA SER 18 4.335 -1.483 1.696
97 1HB SER 18 2HB SER 18 4.283 -2.074 4.411
98 2HB SER 18 1HB SER 18 5.683 -2.971 3.828
99 HG SER 18 HG SER 18 5.126 -0.203 3.614
100 H ALA 19 H ALA 19 4.303 -2.868 -0.220
101 HA ALA 19 HA ALA 19 5.652 -5.515 0.082
102 1HB ALA 19 1HB ALA 19 4.472 -6.111 -1.826
103 2HB ALA 19 2HB ALA 19 4.518 -4.476 -2.485
104 3HB ALA 19 3HB ALA 19 3.391 -4.872 -1.187
105 H PHE 20 H PHE 20 6.549 -5.544 -2.677
106 HA PHE 20 HA PHE 20 8.383 -4.850 -4.008
107 1HB PHE 20 2HB PHE 20 7.125 -2.568 -2.986
108 2HB PHE 20 1HB PHE 20 8.835 -2.319 -2.634
109 HD1 PHE 20 HD1 PHE 20 10.307 -1.619 -4.324
110 HD2 PHE 20 HD2 PHE 20 6.512 -3.326 -5.394
111 HE1 PHE 20 HE1 PHE 20 10.722 -1.056 -6.703
112 HE2 PHE 20 HE2 PHE 20 6.929 -2.763 -7.773
113 HZ PHE 20 HZ PHE 20 9.034 -1.628 -8.427
114 H GLY 21 H GLY 21 10.398 -5.690 -3.655
115 1HA GLY 21 2HA GLY 21 12.087 -4.748 -1.494
116 2HA GLY 21 1HA GLY 21 11.505 -6.387 -1.201
117 H PHE 22 H PHE 22 12.012 -5.318 -4.476
118 HA PHE 22 HA PHE 22 14.099 -7.380 -4.827
119 1HB PHE 22 2HB PHE 22 12.192 -7.097 -6.388
120 2HB PHE 22 1HB PHE 22 12.731 -5.455 -6.737
121 HD1 PHE 22 HD1 PHE 22 13.884 -9.013 -6.814
122 HD2 PHE 22 HD2 PHE 22 14.307 -5.057 -8.432
123 HE1 PHE 22 HE1 PHE 22 15.432 -9.886 -8.543
124 HE2 PHE 22 HE2 PHE 22 15.856 -5.930 -10.161
125 HZ PHE 22 HZ PHE 22 16.417 -8.344 -10.218
126 H ARG 23 H ARG 23 13.792 -3.965 -5.858
127 HA ARG 23 HA ARG 23 16.743 -3.659 -5.411
128 1HB ARG 23 2HB ARG 23 15.234 -3.428 -7.722
129 2HB ARG 23 1HB ARG 23 15.368 -1.756 -7.181
130 1HG ARG 23 2HG ARG 23 17.771 -1.872 -7.149
131 2HG ARG 23 1HG ARG 23 17.744 -3.616 -7.409
132 1HD ARG 23 2HD ARG 23 17.419 -3.395 -9.664
133 2HD ARG 23 1HD ARG 23 16.305 -2.028 -9.459
134 HE ARG 23 HE ARG 23 18.251 -0.561 -9.162
135 1HH1 ARG 23 2HH1 ARG 23 20.138 -2.779 -8.252
136 2HH1 ARG 23 1HH1 ARG 23 21.184 -2.910 -9.626
137 1HH2 ARG 23 1HH2 ARG 23 19.062 -1.170 -11.744
138 2HH2 ARG 23 2HH2 ARG 23 20.576 -1.999 -11.601
139 H ASN 24 H ASN 24 13.566 -2.551 -4.632
140 HA ASN 24 HA ASN 24 12.844 -0.931 -3.067
141 1HB ASN 24 2HB ASN 24 15.234 -1.933 -2.192
142 2HB ASN 24 1HB ASN 24 15.614 -0.215 -2.313
143 1HD2 ASN 24 1HD2 ASN 24 13.255 1.024 -1.558
144 2HD2 ASN 24 2HD2 ASN 24 12.826 0.574 0.021
145 H LEU 25 H LEU 25 12.282 0.405 -4.996
146 HA LEU 25 HA LEU 25 13.991 2.857 -5.118
147 1HB LEU 25 2HB LEU 25 13.503 2.802 -7.623
148 2HB LEU 25 1HB LEU 25 14.597 1.552 -7.034
149 HG LEU 25 HG LEU 25 11.763 0.784 -6.915
150 1HD1 LEU 25 1HD1 LEU 25 11.874 0.291 -9.468
151 2HD1 LEU 25 2HD1 LEU 25 13.077 1.580 -9.505
152 3HD1 LEU 25 3HD1 LEU 25 11.438 1.920 -8.949
153 1HD2 LEU 25 1HD2 LEU 25 14.365 -0.387 -7.899
154 2HD2 LEU 25 2HD2 LEU 25 12.828 -1.209 -8.163
155 3HD2 LEU 25 3HD2 LEU 25 13.393 -0.898 -6.519
156 H SER 26 H SER 26 10.794 1.377 -5.471
157 HA SER 26 HA SER 26 9.603 4.106 -5.190
158 1HB SER 26 2HB SER 26 9.743 2.757 -7.553
159 2HB SER 26 1HB SER 26 8.208 2.156 -6.934
160 HG SER 26 HG SER 26 8.724 4.493 -8.060
161 H LEU 27 H LEU 27 9.827 1.025 -3.951
162 HA LEU 27 HA LEU 27 8.502 -0.202 -2.432
163 1HB LEU 27 2HB LEU 27 8.118 2.659 -2.051
164 2HB LEU 27 1HB LEU 27 6.700 1.747 -1.535
165 HG LEU 27 HG LEU 27 8.417 2.040 0.275
166 1HD1 LEU 27 1HD1 LEU 27 7.337 0.194 0.997
167 2HD1 LEU 27 2HD1 LEU 27 8.630 -0.757 0.261
168 3HD1 LEU 27 3HD1 LEU 27 7.158 -0.414 -0.650
169 1HD2 LEU 27 1HD2 LEU 27 10.174 -0.054 -0.693
170 2HD2 LEU 27 2HD2 LEU 27 10.586 1.561 -0.116
171 3HD2 LEU 27 3HD2 LEU 27 10.165 1.311 -1.810
172 H VAL 28 H VAL 28 5.873 2.038 -3.159
173 HA VAL 28 HA VAL 28 3.702 1.569 -3.989
174 HB VAL 28 HB VAL 28 5.528 0.055 -5.886
175 1HG1 VAL 28 1HG1 VAL 28 2.716 0.027 -5.739
176 2HG1 VAL 28 2HG1 VAL 28 3.712 -0.514 -7.091
177 3HG1 VAL 28 3HG1 VAL 28 3.108 1.143 -7.047
178 1HG2 VAL 28 1HG2 VAL 28 4.556 2.901 -5.685
179 2HG2 VAL 28 2HG2 VAL 28 5.009 2.220 -7.249
180 3HG2 VAL 28 3HG2 VAL 28 6.195 2.310 -5.948
181 H TRP 29 H TRP 29 2.831 0.266 -2.289
182 HA TRP 29 HA TRP 29 3.419 -2.620 -2.204
183 1HB TRP 29 2HB TRP 29 1.224 -1.260 -0.672
184 2HB TRP 29 1HB TRP 29 2.298 -2.552 -0.154
185 HD1 TRP 29 HD1 TRP 29 4.927 -0.754 -1.271
186 HE1 TRP 29 HE1 TRP 29 5.794 1.067 0.336
187 HE3 TRP 29 HE3 TRP 29 0.857 -0.258 1.760
188 HZ2 TRP 29 HZ2 TRP 29 4.878 2.537 2.616
189 HZ3 TRP 29 HZ3 TRP 29 0.877 1.356 3.644
190 HH2 TRP 29 HH2 TRP 29 2.883 2.752 4.077
191 H GLY 30 H GLY 30 0.527 -3.023 -1.321
192 1HA GLY 30 2HA GLY 30 -0.974 -2.732 -3.843
193 2HA GLY 30 1HA GLY 30 -0.599 -4.390 -3.375
194 H CYS 31 H CYS 31 -3.151 -2.550 -3.405
195 HA CYS 31 HA CYS 31 -4.074 -2.376 -0.684
196 1HB CYS 31 2HB CYS 31 -5.542 -2.620 -3.333
197 2HB CYS 31 1HB CYS 31 -6.280 -2.103 -1.817
198 H SER 32 H SER 32 -3.333 -4.609 0.021
199 HA SER 32 HA SER 32 -4.281 -7.059 -0.966
200 1HB SER 32 2HB SER 32 -3.080 -5.968 1.405
201 2HB SER 32 1HB SER 32 -4.326 -7.119 1.883
202 HG SER 32 HG SER 32 -2.624 -7.811 -0.219
203 HA PRO 33 HA PRO 33 -8.640 -6.653 -0.314
204 1HB PRO 33 2HB PRO 33 -9.304 -9.265 -0.792
205 2HB PRO 33 1HB PRO 33 -8.898 -8.118 -2.083
206 1HG PRO 33 2HG PRO 33 -7.218 -10.230 -0.830
207 2HG PRO 33 1HG PRO 33 -7.312 -9.718 -2.522
208 1HD PRO 33 2HD PRO 33 -5.306 -8.968 -0.831
209 2HD PRO 33 1HD PRO 33 -5.838 -7.994 -2.219
210 H VAL 34 H VAL 34 -10.151 -7.197 1.350
211 HA VAL 34 HA VAL 34 -8.925 -8.436 3.759
212 HB VAL 34 HB VAL 34 -9.933 -6.209 3.922
213 1HG1 VAL 34 1HG1 VAL 34 -12.566 -6.272 3.649
214 2HG1 VAL 34 2HG1 VAL 34 -12.205 -7.619 2.568
215 3HG1 VAL 34 3HG1 VAL 34 -11.530 -6.023 2.243
216 1HG2 VAL 34 1HG2 VAL 34 -12.049 -7.829 5.233
217 2HG2 VAL 34 2HG2 VAL 34 -10.966 -6.621 5.925
218 3HG2 VAL 34 3HG2 VAL 34 -10.388 -8.261 5.635
219 H GLU 35 HN GLU 35 -9.314 -10.524 2.215
220 HA GLU 35 HA GLU 35 -11.986 -11.651 2.993
221 1HB GLU 35 2HB GLU 35 -11.215 -11.084 0.484
222 2HB GLU 35 1HB GLU 35 -10.469 -12.677 0.632
223 1HG GLU 35 2HG GLU 35 -12.813 -13.377 1.594
224 2HG GLU 35 1HG GLU 35 -13.377 -11.931 0.755
Start of MODEL 7
1 1H ASP 1 1H ASP 1 -6.813 0.778 1.103
2 2H ASP 1 2H ASP 1 -7.004 -0.014 2.595
3 3H ASP 1 3H ASP 1 -5.738 1.098 2.376
4 HA ASP 1 HA ASP 1 -8.620 1.835 2.242
5 1HB ASP 1 2HB ASP 1 -6.703 1.350 4.445
6 2HB ASP 1 1HB ASP 1 -7.571 2.881 4.553
7 H HIS 2 H HIS 2 -8.899 4.071 2.031
8 HA HIS 2 HA HIS 2 -7.550 5.661 0.351
9 1HB HIS 2 2HB HIS 2 -8.242 7.588 1.922
10 2HB HIS 2 1HB HIS 2 -9.507 6.464 1.423
11 HD1 HIS 2 HD1 HIS 2 -7.309 7.323 4.370
12 HD2 HIS 2 HD2 HIS 2 -10.580 4.885 3.506
13 HE1 HIS 2 HE1 HIS 2 -8.154 6.444 6.589
14 H VAL 3 H VAL 3 -5.813 7.127 0.346
15 HA VAL 3 HA VAL 3 -3.643 7.861 0.809
16 HB VAL 3 HB VAL 3 -5.258 8.613 2.789
17 1HG1 VAL 3 1HG1 VAL 3 -3.292 7.712 4.699
18 2HG1 VAL 3 2HG1 VAL 3 -4.053 6.318 3.947
19 3HG1 VAL 3 3HG1 VAL 3 -5.041 7.528 4.751
20 1HG2 VAL 3 1HG2 VAL 3 -3.178 9.719 1.853
21 2HG2 VAL 3 2HG2 VAL 3 -2.255 8.842 3.071
22 3HG2 VAL 3 3HG2 VAL 3 -3.474 10.017 3.567
23 H CYS 4 H CYS 4 -1.579 7.084 1.206
24 HA CYS 4 HA CYS 4 -0.810 4.949 2.904
25 1HB CYS 4 2HB CYS 4 -2.478 4.037 0.924
26 2HB CYS 4 1HB CYS 4 -0.897 3.801 0.178
27 H ASP 5 H ASP 5 0.945 6.544 2.941
28 HA ASP 5 HA ASP 5 3.171 7.127 2.368
29 1HB ASP 5 2HB ASP 5 2.649 4.618 1.216
30 2HB ASP 5 1HB ASP 5 3.335 5.583 -0.093
31 H ASP 6 H ASP 6 0.580 8.249 1.092
32 HA ASP 6 HA ASP 6 0.032 9.861 -0.548
33 1HB ASP 6 2HB ASP 6 2.887 10.201 0.237
34 2HB ASP 6 1HB ASP 6 2.323 11.126 -1.155
35 H ASN 7 H ASN 7 1.165 7.064 -1.387
36 HA ASN 7 HA ASN 7 1.469 7.798 -4.265
37 1HB ASN 7 2HB ASN 7 3.709 7.520 -3.253
38 2HB ASN 7 1HB ASN 7 3.248 5.916 -2.682
39 1HD2 ASN 7 1HD2 ASN 7 3.851 4.247 -4.069
40 2HD2 ASN 7 2HD2 ASN 7 4.093 4.406 -5.741
41 H PHE 8 H PHE 8 -0.380 6.247 -2.143
42 HA PHE 8 HA PHE 8 -1.563 4.458 -4.065
43 1HB PHE 8 2HB PHE 8 0.708 3.409 -3.426
44 2HB PHE 8 1HB PHE 8 -0.029 3.076 -1.859
45 HD1 PHE 8 HD1 PHE 8 -2.016 1.591 -1.691
46 HD2 PHE 8 HD2 PHE 8 0.065 2.188 -5.401
47 HE1 PHE 8 HE1 PHE 8 -3.133 -0.411 -2.639
48 HE2 PHE 8 HE2 PHE 8 -1.050 0.185 -6.349
49 HZ PHE 8 HZ PHE 8 -2.648 -1.114 -4.968
50 H SER 9 H SER 9 -3.298 3.105 -3.014
51 HA SER 9 HA SER 9 -3.996 3.176 -0.281
52 1HB SER 9 2HB SER 9 -5.788 5.106 -0.665
53 2HB SER 9 1HB SER 9 -4.134 5.488 -0.193
54 HG SER 9 HG SER 9 -5.288 6.452 -2.224
55 H CYS 10 H CYS 10 -5.907 2.039 0.042
56 HA CYS 10 HA CYS 10 -7.551 1.406 -2.392
57 1HB CYS 10 2HB CYS 10 -6.072 -0.214 -0.455
58 2HB CYS 10 1HB CYS 10 -7.759 -0.707 -0.566
59 HA PRO 11 HA PRO 11 -10.964 2.294 0.265
60 1HB PRO 11 2HB PRO 11 -12.788 0.313 -0.208
61 2HB PRO 11 1HB PRO 11 -12.361 1.544 -1.412
62 1HG PRO 11 2HG PRO 11 -11.683 -1.302 -1.337
63 2HG PRO 11 1HG PRO 11 -11.672 -0.175 -2.698
64 1HD PRO 11 2HD PRO 11 -9.443 -1.110 -1.154
65 2HD PRO 11 1HD PRO 11 -9.430 0.006 -2.537
66 H ALA 12 H ALA 12 -12.760 0.969 1.797
67 HA ALA 12 HA ALA 12 -11.110 -0.093 3.984
68 1HB ALA 12 1HB ALA 12 -12.765 1.074 5.001
69 2HB ALA 12 2HB ALA 12 -13.826 -0.286 4.630
70 3HB ALA 12 3HB ALA 12 -13.740 1.090 3.531
71 H GLY 13 H GLY 13 -12.345 -1.503 1.261
72 1HA GLY 13 2HA GLY 13 -13.370 -3.954 2.549
73 2HA GLY 13 1HA GLY 13 -13.302 -3.651 0.812
74 H SER 14 H SER 14 -10.452 -2.775 0.999
75 HA SER 14 HA SER 14 -9.253 -5.511 1.179
76 1HB SER 14 2HB SER 14 -8.134 -3.064 -0.197
77 2HB SER 14 1HB SER 14 -7.763 -4.757 -0.519
78 HG SER 14 HG SER 14 -9.524 -3.308 -1.740
79 H THR 15 H THR 15 -6.549 -4.261 1.094
80 HA THR 15 HA THR 15 -6.290 -2.702 3.567
81 HB THR 15 HB THR 15 -5.160 -5.509 3.479
82 HG1 THR 15 HG1 THR 15 -6.974 -5.797 5.055
83 1HG2 THR 15 1HG2 THR 15 -5.797 -4.267 6.049
84 2HG2 THR 15 2HG2 THR 15 -4.634 -3.330 5.111
85 3HG2 THR 15 3HG2 THR 15 -4.295 -5.016 5.506
86 H CYS 16 H CYS 16 -4.620 -1.349 3.100
87 HA CYS 16 HA CYS 16 -2.863 -1.508 0.912
88 1HB CYS 16 2HB CYS 16 -3.374 0.116 3.164
89 2HB CYS 16 1HB CYS 16 -1.650 -0.246 3.221
90 H SER 17 H SER 17 -1.258 -2.994 0.495
91 HA SER 17 HA SER 17 -0.312 -4.863 2.502
92 1HB SER 17 2HB SER 17 -0.065 -4.338 -0.362
93 2HB SER 17 1HB SER 17 1.451 -4.898 0.338
94 HG SER 17 HG SER 17 -0.299 -6.478 -0.394
95 H SER 18 H SER 18 2.007 -3.128 0.481
96 HA SER 18 HA SER 18 3.072 -1.401 2.508
97 1HB SER 18 2HB SER 18 4.718 -2.747 3.501
98 2HB SER 18 1HB SER 18 3.389 -3.886 3.311
99 HG SER 18 HG SER 18 4.520 -4.139 1.096
100 H ALA 19 H ALA 19 5.895 -2.436 1.607
101 HA ALA 19 HA ALA 19 6.231 -2.192 -1.182
102 1HB ALA 19 1HB ALA 19 5.603 0.295 0.309
103 2HB ALA 19 2HB ALA 19 5.365 -0.079 -1.397
104 3HB ALA 19 3HB ALA 19 6.955 0.416 -0.817
105 H PHE 20 H PHE 20 8.561 -1.580 -1.728
106 HA PHE 20 HA PHE 20 10.298 -2.073 0.661
107 1HB PHE 20 2HB PHE 20 11.884 -2.628 -1.470
108 2HB PHE 20 1HB PHE 20 10.870 -3.823 -0.678
109 HD1 PHE 20 HD1 PHE 20 10.623 -1.188 -3.353
110 HD2 PHE 20 HD2 PHE 20 9.450 -5.090 -1.995
111 HE1 PHE 20 HE1 PHE 20 9.426 -1.573 -5.491
112 HE2 PHE 20 HE2 PHE 20 8.251 -5.474 -4.130
113 HZ PHE 20 HZ PHE 20 8.241 -3.719 -5.879
114 H GLY 21 H GLY 21 10.939 -0.054 1.346
115 1HA GLY 21 2HA GLY 21 11.701 2.006 -0.627
116 2HA GLY 21 1HA GLY 21 11.648 2.217 1.125
117 H PHE 22 H PHE 22 13.193 -0.661 0.512
118 HA PHE 22 HA PHE 22 15.897 0.638 0.461
119 1HB PHE 22 2HB PHE 22 15.091 -0.134 2.714
120 2HB PHE 22 1HB PHE 22 14.977 -1.769 2.065
121 HD1 PHE 22 HD1 PHE 22 17.576 0.781 1.282
122 HD2 PHE 22 HD2 PHE 22 16.667 -2.902 3.297
123 HE1 PHE 22 HE1 PHE 22 19.989 0.432 1.734
124 HE2 PHE 22 HE2 PHE 22 19.080 -3.250 3.748
125 HZ PHE 22 HZ PHE 22 20.741 -1.584 2.966
126 H ARG 23 H ARG 23 17.518 -0.593 -0.656
127 HA ARG 23 HA ARG 23 18.356 -2.234 -2.151
128 1HB ARG 23 2HB ARG 23 16.611 -3.517 -0.403
129 2HB ARG 23 1HB ARG 23 16.014 -3.989 -1.995
130 1HG ARG 23 2HG ARG 23 17.777 -5.534 -1.082
131 2HG ARG 23 1HG ARG 23 18.200 -4.816 -2.636
132 1HD ARG 23 2HD ARG 23 19.080 -3.043 -0.549
133 2HD ARG 23 1HD ARG 23 19.694 -4.676 -0.220
134 HE ARG 23 HE ARG 23 19.926 -3.909 -3.029
135 1HH1 ARG 23 1HH2 ARG 23 21.608 -5.295 -0.586
136 2HH1 ARG 23 2HH2 ARG 23 23.106 -4.470 -0.859
137 1HH2 ARG 23 2HH1 ARG 23 21.753 -2.189 -3.092
138 2HH2 ARG 23 1HH1 ARG 23 23.186 -2.708 -2.270
139 H ASN 24 H ASN 24 14.778 -2.067 -2.471
140 HA ASN 24 HA ASN 24 14.962 -2.145 -5.401
141 1HB ASN 24 2HB ASN 24 12.869 -2.119 -3.264
142 2HB ASN 24 1HB ASN 24 12.385 -1.644 -4.892
143 1HD2 ASN 24 1HD2 ASN 24 15.026 -3.924 -4.588
144 2HD2 ASN 24 2HD2 ASN 24 14.152 -5.299 -5.067
145 H LEU 25 H LEU 25 15.127 0.273 -2.998
146 HA LEU 25 HA LEU 25 14.953 2.631 -3.078
147 1HB LEU 25 2HB LEU 25 15.794 1.820 -5.876
148 2HB LEU 25 1HB LEU 25 15.796 3.496 -5.323
149 HG LEU 25 HG LEU 25 18.017 2.673 -4.967
150 1HD1 LEU 25 1HD1 LEU 25 16.550 3.739 -2.966
151 2HD1 LEU 25 2HD1 LEU 25 18.248 3.304 -2.771
152 3HD1 LEU 25 3HD1 LEU 25 16.987 2.204 -2.215
153 1HD2 LEU 25 1HD2 LEU 25 17.199 0.445 -3.181
154 2HD2 LEU 25 2HD2 LEU 25 18.536 0.533 -4.329
155 3HD2 LEU 25 3HD2 LEU 25 16.901 0.202 -4.902
156 H SER 26 H SER 26 12.493 1.025 -3.708
157 HA SER 26 HA SER 26 10.978 3.212 -5.059
158 1HB SER 26 2HB SER 26 9.791 0.906 -6.004
159 2HB SER 26 1HB SER 26 10.968 1.863 -6.897
160 HG SER 26 HG SER 26 12.556 0.493 -6.281
161 H LEU 27 H LEU 27 8.494 1.753 -5.016
162 HA LEU 27 HA LEU 27 8.140 1.259 -2.080
163 1HB LEU 27 2HB LEU 27 7.118 3.329 -3.805
164 2HB LEU 27 1HB LEU 27 5.773 2.361 -3.199
165 HG LEU 27 HG LEU 27 6.454 2.715 -0.911
166 1HD1 LEU 27 1HD1 LEU 27 8.718 2.746 -0.657
167 2HD1 LEU 27 2HD1 LEU 27 8.527 4.490 -0.842
168 3HD1 LEU 27 3HD1 LEU 27 8.982 3.500 -2.229
169 1HD2 LEU 27 1HD2 LEU 27 6.907 5.465 -1.405
170 2HD2 LEU 27 2HD2 LEU 27 5.365 4.684 -1.056
171 3HD2 LEU 27 3HD2 LEU 27 5.889 4.893 -2.727
172 H VAL 28 H VAL 28 6.044 1.104 -4.990
173 HA VAL 28 HA VAL 28 4.706 -0.675 -5.793
174 HB VAL 28 HB VAL 28 7.129 -1.983 -4.555
175 1HG1 VAL 28 1HG1 VAL 28 6.030 -3.908 -6.192
176 2HG1 VAL 28 2HG1 VAL 28 4.606 -3.241 -5.393
177 3HG1 VAL 28 3HG1 VAL 28 5.927 -3.904 -4.432
178 1HG2 VAL 28 1HG2 VAL 28 7.925 -2.089 -6.744
179 2HG2 VAL 28 2HG2 VAL 28 6.988 -0.596 -6.805
180 3HG2 VAL 28 3HG2 VAL 28 6.305 -2.093 -7.441
181 H TRP 29 H TRP 29 2.753 -0.845 -4.711
182 HA TRP 29 HA TRP 29 2.790 -2.035 -1.954
183 1HB TRP 29 2HB TRP 29 1.108 0.063 -3.324
184 2HB TRP 29 1HB TRP 29 0.540 -0.743 -1.863
185 HD1 TRP 29 HD1 TRP 29 3.656 1.195 -3.075
186 HE1 TRP 29 HE1 TRP 29 4.608 2.515 -1.077
187 HE3 TRP 29 HE3 TRP 29 0.490 -0.378 0.608
188 HZ2 TRP 29 HZ2 TRP 29 4.095 2.856 1.717
189 HZ3 TRP 29 HZ3 TRP 29 0.741 0.462 2.927
190 HH2 TRP 29 HH2 TRP 29 2.539 2.075 3.485
191 H GLY 30 H GLY 30 0.418 -2.955 -1.508
192 1HA GLY 30 2HA GLY 30 -0.658 -4.332 -3.911
193 2HA GLY 30 1HA GLY 30 -0.092 -5.339 -2.578
194 H CYS 31 H CYS 31 -2.846 -5.074 -3.605
195 HA CYS 31 HA CYS 31 -4.151 -4.008 -1.120
196 1HB CYS 31 2HB CYS 31 -4.458 -2.772 -3.345
197 2HB CYS 31 1HB CYS 31 -5.367 -4.183 -3.888
198 H SER 32 H SER 32 -4.902 -5.717 0.064
199 HA SER 32 HA SER 32 -5.719 -8.210 -1.368
200 1HB SER 32 2HB SER 32 -4.461 -7.482 1.208
201 2HB SER 32 1HB SER 32 -5.633 -8.792 1.304
202 HG SER 32 HG SER 32 -3.146 -8.713 0.149
203 HA PRO 33 HA PRO 33 -9.821 -6.698 -0.273
204 1HB PRO 33 2HB PRO 33 -11.158 -8.447 -1.900
205 2HB PRO 33 1HB PRO 33 -10.413 -6.950 -2.496
206 1HG PRO 33 2HG PRO 33 -9.425 -9.749 -2.660
207 2HG PRO 33 1HG PRO 33 -9.306 -8.437 -3.842
208 1HD PRO 33 2HD PRO 33 -7.247 -9.216 -2.215
209 2HD PRO 33 1HD PRO 33 -7.412 -7.582 -2.894
210 H VAL 34 H VAL 34 -11.591 -7.710 0.927
211 HA VAL 34 HA VAL 34 -10.725 -9.978 2.569
212 HB VAL 34 HB VAL 34 -13.305 -8.382 2.435
213 1HG1 VAL 34 1HG1 VAL 34 -12.946 -9.270 5.029
214 2HG1 VAL 34 2HG1 VAL 34 -12.399 -10.648 4.074
215 3HG1 VAL 34 3HG1 VAL 34 -14.026 -10.008 3.846
216 1HG2 VAL 34 1HG2 VAL 34 -10.762 -7.508 3.105
217 2HG2 VAL 34 2HG2 VAL 34 -11.453 -7.937 4.669
218 3HG2 VAL 34 3HG2 VAL 34 -12.269 -6.761 3.637
219 H GLU 35 HN GLU 35 -12.697 -9.502 -0.256
220 HA GLU 35 HA GLU 35 -13.287 -12.416 -0.318
221 1HB GLU 35 2HB GLU 35 -15.680 -11.946 -0.709
222 2HB GLU 35 1HB GLU 35 -15.166 -11.283 0.844
223 1HG GLU 35 2HG GLU 35 -16.341 -9.484 -0.077
224 2HG GLU 35 1HG GLU 35 -14.682 -9.112 -0.545
Start of MODEL 8
1 1H ASP 1 1H ASP 1 -12.212 5.637 2.504
2 2H ASP 1 2H ASP 1 -12.379 4.052 1.914
3 3H ASP 1 3H ASP 1 -13.085 5.353 1.079
4 HA ASP 1 HA ASP 1 -10.938 4.439 0.108
5 1HB ASP 1 2HB ASP 1 -11.604 7.282 0.860
6 2HB ASP 1 1HB ASP 1 -10.189 6.934 -0.135
7 H HIS 2 H HIS 2 -8.969 3.687 0.794
8 HA HIS 2 HA HIS 2 -7.880 4.645 3.390
9 1HB HIS 2 2HB HIS 2 -7.537 2.293 1.564
10 2HB HIS 2 1HB HIS 2 -6.234 2.678 2.685
11 HD1 HIS 2 HD1 HIS 2 -8.325 3.772 4.927
12 HD2 HIS 2 HD2 HIS 2 -8.330 0.021 3.106
13 HE1 HIS 2 HE1 HIS 2 -9.567 2.220 6.491
14 H VAL 3 H VAL 3 -5.160 4.187 2.954
15 HA VAL 3 HA VAL 3 -4.270 5.717 0.599
16 HB VAL 3 HB VAL 3 -5.012 7.502 2.046
17 1HG1 VAL 3 1HG1 VAL 3 -5.153 7.105 4.256
18 2HG1 VAL 3 2HG1 VAL 3 -3.398 7.256 4.353
19 3HG1 VAL 3 3HG1 VAL 3 -4.135 5.674 4.104
20 1HG2 VAL 3 1HG2 VAL 3 -2.963 8.116 1.022
21 2HG2 VAL 3 2HG2 VAL 3 -2.027 7.031 2.051
22 3HG2 VAL 3 3HG2 VAL 3 -2.726 8.504 2.725
23 H CYS 4 H CYS 4 -2.455 4.596 0.013
24 HA CYS 4 HA CYS 4 -0.790 3.325 2.147
25 1HB CYS 4 2HB CYS 4 -0.764 2.876 -0.850
26 2HB CYS 4 1HB CYS 4 -0.110 1.815 0.398
27 H ASP 5 H ASP 5 0.633 5.006 2.734
28 HA ASP 5 HA ASP 5 2.611 6.291 2.508
29 1HB ASP 5 2HB ASP 5 3.008 4.263 0.907
30 2HB ASP 5 1HB ASP 5 2.702 5.431 -0.375
31 H ASP 6 H ASP 6 -0.256 7.031 1.397
32 HA ASP 6 HA ASP 6 -1.169 9.098 0.686
33 1HB ASP 6 2HB ASP 6 1.155 9.754 1.814
34 2HB ASP 6 1HB ASP 6 1.581 10.148 0.148
35 H ASN 7 H ASN 7 1.768 8.256 -1.225
36 HA ASN 7 HA ASN 7 0.661 9.286 -3.699
37 1HB ASN 7 2HB ASN 7 2.703 8.461 -4.624
38 2HB ASN 7 1HB ASN 7 3.102 8.959 -2.980
39 1HD2 ASN 7 1HD2 ASN 7 3.048 6.268 -5.162
40 2HD2 ASN 7 2HD2 ASN 7 3.513 5.078 -4.045
41 H PHE 8 H PHE 8 -1.363 7.689 -2.779
42 HA PHE 8 HA PHE 8 -1.837 5.854 -4.915
43 1HB PHE 8 2HB PHE 8 0.038 4.828 -3.319
44 2HB PHE 8 1HB PHE 8 -1.366 4.363 -2.360
45 HD1 PHE 8 HD1 PHE 8 -0.974 4.655 -6.067
46 HD2 PHE 8 HD2 PHE 8 -1.664 2.057 -2.716
47 HE1 PHE 8 HE1 PHE 8 -1.423 2.772 -7.619
48 HE2 PHE 8 HE2 PHE 8 -2.110 0.175 -4.269
49 HZ PHE 8 HZ PHE 8 -1.990 0.533 -6.719
50 H SER 9 H SER 9 -3.632 4.110 -3.884
51 HA SER 9 HA SER 9 -5.293 5.259 -1.781
52 1HB SER 9 2HB SER 9 -6.878 6.340 -3.083
53 2HB SER 9 1HB SER 9 -5.455 6.603 -4.088
54 HG SER 9 HG SER 9 -6.052 4.793 -5.304
55 H CYS 10 H CYS 10 -7.154 3.897 -1.344
56 HA CYS 10 HA CYS 10 -7.690 1.530 -2.982
57 1HB CYS 10 2HB CYS 10 -5.815 1.545 -0.686
58 2HB CYS 10 1HB CYS 10 -6.997 0.236 -0.675
59 HA PRO 11 HA PRO 11 -11.463 2.110 -0.774
60 1HB PRO 11 2HB PRO 11 -12.662 -0.278 -1.355
61 2HB PRO 11 1HB PRO 11 -12.500 1.036 -2.536
62 1HG PRO 11 2HG PRO 11 -10.876 -1.441 -2.229
63 2HG PRO 11 1HG PRO 11 -11.422 -0.625 -3.703
64 1HD PRO 11 2HD PRO 11 -8.890 -0.411 -2.718
65 2HD PRO 11 1HD PRO 11 -9.676 0.855 -3.688
66 H ALA 12 H ALA 12 -12.736 1.038 1.012
67 HA ALA 12 HA ALA 12 -11.013 0.054 3.099
68 1HB ALA 12 1HB ALA 12 -12.815 0.950 4.135
69 2HB ALA 12 2HB ALA 12 -13.688 -0.528 3.731
70 3HB ALA 12 3HB ALA 12 -13.771 0.868 2.655
71 H GLY 13 H GLY 13 -12.667 -1.525 0.509
72 1HA GLY 13 2HA GLY 13 -13.058 -4.093 1.777
73 2HA GLY 13 1HA GLY 13 -13.045 -3.798 0.038
74 H SER 14 H SER 14 -10.283 -2.421 0.732
75 HA SER 14 HA SER 14 -8.729 -4.987 0.654
76 1HB SER 14 2HB SER 14 -8.172 -2.306 -0.655
77 2HB SER 14 1HB SER 14 -7.200 -3.762 -0.843
78 HG SER 14 HG SER 14 -8.628 -3.623 -2.559
79 H THR 15 H THR 15 -6.216 -3.418 0.723
80 HA THR 15 HA THR 15 -6.159 -1.832 3.165
81 HB THR 15 HB THR 15 -5.397 -4.761 3.162
82 HG1 THR 15 HG1 THR 15 -7.263 -3.115 4.390
83 1HG2 THR 15 1HG2 THR 15 -3.525 -3.881 4.236
84 2HG2 THR 15 2HG2 THR 15 -4.633 -4.102 5.589
85 3HG2 THR 15 3HG2 THR 15 -4.416 -2.502 4.878
86 H CYS 16 H CYS 16 -4.083 -0.877 3.454
87 HA CYS 16 HA CYS 16 -2.357 -0.776 1.140
88 1HB CYS 16 2HB CYS 16 -2.242 0.213 3.996
89 2HB CYS 16 1HB CYS 16 -0.935 0.531 2.857
90 H SER 17 H SER 17 -1.387 -2.806 0.696
91 HA SER 17 HA SER 17 -0.422 -4.717 2.508
92 1HB SER 17 2HB SER 17 -0.343 -5.422 0.320
93 2HB SER 17 1HB SER 17 0.153 -3.843 -0.274
94 HG SER 17 HG SER 17 1.861 -5.422 1.321
95 H SER 18 H SER 18 2.164 -3.142 0.716
96 HA SER 18 HA SER 18 3.239 -1.631 2.919
97 1HB SER 18 2HB SER 18 4.957 -3.232 3.632
98 2HB SER 18 1HB SER 18 3.356 -3.943 3.813
99 HG SER 18 HG SER 18 5.226 -5.098 2.628
100 H ALA 19 H ALA 19 5.354 -3.777 1.130
101 HA ALA 19 HA ALA 19 6.417 -1.397 -0.329
102 1HB ALA 19 1HB ALA 19 8.494 -2.662 -0.354
103 2HB ALA 19 2HB ALA 19 7.663 -4.105 0.224
104 3HB ALA 19 3HB ALA 19 7.835 -2.705 1.281
105 H PHE 20 H PHE 20 7.892 -2.838 -2.254
106 HA PHE 20 HA PHE 20 5.939 -3.185 -4.317
107 1HB PHE 20 2HB PHE 20 7.840 -3.569 -5.682
108 2HB PHE 20 1HB PHE 20 8.453 -2.549 -4.383
109 HD1 PHE 20 HD1 PHE 20 8.787 -5.672 -6.099
110 HD2 PHE 20 HD2 PHE 20 9.525 -3.728 -2.341
111 HE1 PHE 20 HE1 PHE 20 10.434 -7.429 -5.513
112 HE2 PHE 20 HE2 PHE 20 11.173 -5.484 -1.756
113 HZ PHE 20 HZ PHE 20 11.627 -7.337 -3.342
114 H GLY 21 H GLY 21 6.905 -5.559 -5.619
115 1HA GLY 21 2HA GLY 21 7.122 -7.960 -4.430
116 2HA GLY 21 1HA GLY 21 5.445 -7.580 -4.033
117 H PHE 22 H PHE 22 7.145 -6.759 -7.038
118 HA PHE 22 HA PHE 22 5.628 -8.850 -8.501
119 1HB PHE 22 2HB PHE 22 4.484 -7.235 -9.879
120 2HB PHE 22 1HB PHE 22 4.220 -6.755 -8.202
121 HD1 PHE 22 HD1 PHE 22 5.348 -5.685 -11.401
122 HD2 PHE 22 HD2 PHE 22 5.961 -5.075 -7.194
123 HE1 PHE 22 HE1 PHE 22 6.374 -3.478 -11.871
124 HE2 PHE 22 HE2 PHE 22 6.989 -2.867 -7.664
125 HZ PHE 22 HZ PHE 22 7.194 -2.068 -10.003
126 H ARG 23 H ARG 23 7.976 -6.180 -8.580
127 HA ARG 23 HA ARG 23 9.853 -7.676 -10.168
128 1HB ARG 23 2HB ARG 23 8.257 -7.391 -11.939
129 2HB ARG 23 1HB ARG 23 8.020 -5.691 -11.535
130 1HG ARG 23 2HG ARG 23 9.510 -6.103 -13.543
131 2HG ARG 23 1HG ARG 23 10.241 -5.125 -12.270
132 1HD ARG 23 2HD ARG 23 11.874 -6.792 -12.973
133 2HD ARG 23 1HD ARG 23 11.287 -7.260 -11.364
134 HE ARG 23 HE ARG 23 10.507 -9.212 -12.435
135 1HH1 ARG 23 2HH1 ARG 23 11.712 -8.293 -15.098
136 2HH1 ARG 23 1HH1 ARG 23 10.318 -8.356 -16.124
137 1HH2 ARG 23 1HH2 ARG 23 8.062 -8.504 -13.495
138 2HH2 ARG 23 2HH2 ARG 23 8.250 -8.472 -15.215
139 H ASN 24 H ASN 24 8.673 -4.339 -9.601
140 HA ASN 24 HA ASN 24 11.346 -3.190 -9.716
141 1HB ASN 24 2HB ASN 24 9.052 -2.141 -10.228
142 2HB ASN 24 1HB ASN 24 8.859 -1.998 -8.481
143 1HD2 ASN 24 1HD2 ASN 24 9.452 0.040 -10.811
144 2HD2 ASN 24 2HD2 ASN 24 10.725 0.967 -10.178
145 H LEU 25 H LEU 25 12.714 -2.716 -7.999
146 HA LEU 25 HA LEU 25 12.063 -3.947 -5.378
147 1HB LEU 25 2HB LEU 25 14.505 -2.880 -6.790
148 2HB LEU 25 1HB LEU 25 14.552 -3.203 -5.057
149 HG LEU 25 HG LEU 25 15.311 -5.150 -6.430
150 1HD1 LEU 25 1HD1 LEU 25 14.046 -6.794 -5.193
151 2HD1 LEU 25 2HD1 LEU 25 12.691 -5.681 -5.002
152 3HD1 LEU 25 3HD1 LEU 25 14.211 -5.371 -4.164
153 1HD2 LEU 25 1HD2 LEU 25 13.540 -4.554 -8.250
154 2HD2 LEU 25 2HD2 LEU 25 12.426 -5.480 -7.244
155 3HD2 LEU 25 3HD2 LEU 25 13.857 -6.256 -7.919
156 H SER 26 H SER 26 10.472 -1.709 -5.795
157 HA SER 26 HA SER 26 11.793 0.428 -4.153
158 1HB SER 26 2HB SER 26 11.248 1.294 -6.292
159 2HB SER 26 1HB SER 26 9.722 0.417 -6.350
160 HG SER 26 HG SER 26 8.855 2.104 -5.471
161 H LEU 27 H LEU 27 9.458 1.800 -3.420
162 HA LEU 27 HA LEU 27 8.448 0.064 -1.294
163 1HB LEU 27 2HB LEU 27 8.488 2.902 -2.046
164 2HB LEU 27 1HB LEU 27 6.963 2.411 -1.305
165 HG LEU 27 HG LEU 27 8.577 3.157 0.407
166 1HD1 LEU 27 1HD1 LEU 27 8.037 1.472 1.892
167 2HD1 LEU 27 2HD1 LEU 27 8.488 0.191 0.767
168 3HD1 LEU 27 3HD1 LEU 27 6.954 1.040 0.570
169 1HD2 LEU 27 1HD2 LEU 27 10.754 2.560 0.328
170 2HD2 LEU 27 2HD2 LEU 27 10.416 1.801 -1.227
171 3HD2 LEU 27 3HD2 LEU 27 10.337 0.848 0.254
172 H VAL 28 H VAL 28 6.336 2.216 -3.146
173 HA VAL 28 HA VAL 28 4.233 1.756 -4.136
174 HB VAL 28 HB VAL 28 6.055 -0.545 -4.761
175 1HG1 VAL 28 1HG1 VAL 28 3.820 -1.584 -4.413
176 2HG1 VAL 28 2HG1 VAL 28 4.319 -1.640 -6.105
177 3HG1 VAL 28 3HG1 VAL 28 3.133 -0.448 -5.576
178 1HG2 VAL 28 1HG2 VAL 28 4.884 1.829 -6.085
179 2HG2 VAL 28 2HG2 VAL 28 5.003 0.390 -7.099
180 3HG2 VAL 28 3HG2 VAL 28 6.449 1.056 -6.338
181 H TRP 29 H TRP 29 2.297 0.221 -3.869
182 HA TRP 29 HA TRP 29 2.482 -1.397 -1.363
183 1HB TRP 29 2HB TRP 29 0.632 0.904 -2.024
184 2HB TRP 29 1HB TRP 29 0.281 -0.245 -0.730
185 HD1 TRP 29 HD1 TRP 29 3.169 2.084 -1.831
186 HE1 TRP 29 HE1 TRP 29 4.365 2.936 0.283
187 HE3 TRP 29 HE3 TRP 29 0.548 -0.448 1.747
188 HZ2 TRP 29 HZ2 TRP 29 4.224 2.606 3.115
189 HZ3 TRP 29 HZ3 TRP 29 1.095 -0.155 4.147
190 HH2 TRP 29 HH2 TRP 29 2.928 1.368 4.836
191 H GLY 30 H GLY 30 1.360 -3.296 -1.523
192 1HA GLY 30 2HA GLY 30 -0.179 -3.766 -4.021
193 2HA GLY 30 1HA GLY 30 0.421 -5.017 -2.937
194 H CYS 31 H CYS 31 -2.293 -3.089 -3.754
195 HA CYS 31 HA CYS 31 -3.749 -3.135 -1.283
196 1HB CYS 31 2HB CYS 31 -4.067 -2.045 -3.736
197 2HB CYS 31 1HB CYS 31 -5.167 -3.415 -3.890
198 H SER 32 H SER 32 -4.610 -4.885 -0.234
199 HA SER 32 HA SER 32 -5.241 -7.342 -1.838
200 1HB SER 32 2HB SER 32 -4.469 -7.946 0.868
201 2HB SER 32 1HB SER 32 -3.690 -8.449 -0.630
202 HG SER 32 HG SER 32 -2.372 -6.739 -0.533
203 HA PRO 33 HA PRO 33 -9.078 -7.460 0.279
204 1HB PRO 33 2HB PRO 33 -9.372 -10.094 0.958
205 2HB PRO 33 1HB PRO 33 -9.504 -9.505 -0.712
206 1HG PRO 33 2HG PRO 33 -7.223 -10.847 0.645
207 2HG PRO 33 1HG PRO 33 -7.821 -11.038 -1.010
208 1HD PRO 33 2HD PRO 33 -5.623 -9.556 -0.365
209 2HD PRO 33 1HD PRO 33 -6.645 -9.228 -1.781
210 H VAL 34 H VAL 34 -9.485 -6.667 2.290
211 HA VAL 34 HA VAL 34 -7.733 -7.044 4.539
212 HB VAL 34 HB VAL 34 -9.094 -5.060 4.253
213 1HG1 VAL 34 1HG1 VAL 34 -11.192 -7.091 3.807
214 2HG1 VAL 34 2HG1 VAL 34 -11.039 -5.464 3.141
215 3HG1 VAL 34 3HG1 VAL 34 -11.707 -5.697 4.757
216 1HG2 VAL 34 1HG2 VAL 34 -10.461 -6.512 6.512
217 2HG2 VAL 34 2HG2 VAL 34 -9.901 -4.840 6.450
218 3HG2 VAL 34 3HG2 VAL 34 -8.736 -6.155 6.602
219 H GLU 35 HN GLU 35 -7.619 -9.394 4.731
220 HA GLU 35 HA GLU 35 -9.481 -11.364 4.943
221 1HB GLU 35 2HB GLU 35 -6.936 -10.696 6.164
222 2HB GLU 35 1HB GLU 35 -7.923 -11.649 7.271
223 1HG GLU 35 2HG GLU 35 -8.345 -13.245 5.337
224 2HG GLU 35 1HG GLU 35 -7.091 -12.374 4.454
Start of MODEL 9
1 1H ASP 1 1H ASP 1 -12.658 4.156 0.328
2 2H ASP 1 2H ASP 1 -13.550 5.570 0.030
3 3H ASP 1 3H ASP 1 -12.612 5.437 1.439
4 HA ASP 1 HA ASP 1 -11.181 5.118 -1.084
5 1HB ASP 1 2HB ASP 1 -11.236 7.553 -1.466
6 2HB ASP 1 1HB ASP 1 -12.873 6.896 -1.506
7 H HIS 2 H HIS 2 -10.306 4.132 1.252
8 HA HIS 2 HA HIS 2 -9.076 5.919 3.112
9 1HB HIS 2 2HB HIS 2 -9.150 3.101 2.428
10 2HB HIS 2 1HB HIS 2 -7.520 3.579 2.905
11 HD1 HIS 2 HD1 HIS 2 -8.448 5.836 4.928
12 HD2 HIS 2 HD2 HIS 2 -9.832 1.905 4.898
13 HE1 HIS 2 HE1 HIS 2 -9.316 5.365 7.260
14 H VAL 3 H VAL 3 -6.349 5.029 3.075
15 HA VAL 3 HA VAL 3 -5.296 6.200 0.523
16 HB VAL 3 HB VAL 3 -4.293 6.802 3.321
17 1HG1 VAL 3 1HG1 VAL 3 -3.601 7.643 0.550
18 2HG1 VAL 3 2HG1 VAL 3 -2.560 7.450 1.961
19 3HG1 VAL 3 3HG1 VAL 3 -3.559 8.893 1.794
20 1HG2 VAL 3 1HG2 VAL 3 -6.045 8.566 1.588
21 2HG2 VAL 3 2HG2 VAL 3 -5.535 8.865 3.248
22 3HG2 VAL 3 3HG2 VAL 3 -6.677 7.566 2.898
23 H CYS 4 H CYS 4 -2.725 5.854 0.610
24 HA CYS 4 HA CYS 4 -1.889 3.420 2.039
25 1HB CYS 4 2HB CYS 4 -3.165 3.271 -0.472
26 2HB CYS 4 1HB CYS 4 -1.454 3.041 -0.812
27 H ASP 5 H ASP 5 -0.381 5.174 2.760
28 HA ASP 5 HA ASP 5 1.800 6.077 2.738
29 1HB ASP 5 2HB ASP 5 1.729 3.784 0.956
30 2HB ASP 5 1HB ASP 5 2.911 4.974 0.408
31 H ASP 6 H ASP 6 -0.501 7.253 1.057
32 HA ASP 6 HA ASP 6 -0.695 9.219 -0.257
33 1HB ASP 6 2HB ASP 6 1.471 9.603 1.169
34 2HB ASP 6 1HB ASP 6 2.313 9.300 -0.350
35 H ASN 7 H ASN 7 0.676 6.354 -1.308
36 HA ASN 7 HA ASN 7 1.170 7.360 -4.077
37 1HB ASN 7 2HB ASN 7 2.905 6.007 -2.948
38 2HB ASN 7 1HB ASN 7 1.740 4.701 -2.727
39 1HD2 ASN 7 1HD2 ASN 7 3.231 3.350 -4.103
40 2HD2 ASN 7 2HD2 ASN 7 3.178 3.519 -5.791
41 H PHE 8 H PHE 8 -1.015 5.434 -2.151
42 HA PHE 8 HA PHE 8 -2.799 5.143 -4.499
43 1HB PHE 8 2HB PHE 8 -1.225 3.182 -4.426
44 2HB PHE 8 1HB PHE 8 -1.866 2.785 -2.831
45 HD1 PHE 8 HD1 PHE 8 -3.933 1.631 -2.587
46 HD2 PHE 8 HD2 PHE 8 -2.814 3.257 -6.403
47 HE1 PHE 8 HE1 PHE 8 -5.839 0.452 -3.649
48 HE2 PHE 8 HE2 PHE 8 -4.719 2.078 -7.464
49 HZ PHE 8 HZ PHE 8 -6.232 0.676 -6.087
50 H SER 9 H SER 9 -4.975 4.263 -3.757
51 HA SER 9 HA SER 9 -5.472 4.873 -0.860
52 1HB SER 9 2HB SER 9 -7.635 5.453 -2.770
53 2HB SER 9 1HB SER 9 -6.999 6.447 -1.463
54 HG SER 9 HG SER 9 -5.784 7.435 -2.860
55 H CYS 10 H CYS 10 -7.039 3.554 0.132
56 HA CYS 10 HA CYS 10 -7.811 1.109 -1.395
57 1HB CYS 10 2HB CYS 10 -7.998 1.669 1.579
58 2HB CYS 10 1HB CYS 10 -7.968 0.095 0.784
59 HA PRO 11 HA PRO 11 -12.036 2.291 -1.341
60 1HB PRO 11 2HB PRO 11 -13.299 -0.107 -1.018
61 2HB PRO 11 1HB PRO 11 -12.482 0.359 -2.522
62 1HG PRO 11 2HG PRO 11 -11.578 -1.468 -0.367
63 2HG PRO 11 1HG PRO 11 -11.306 -1.556 -2.113
64 1HD PRO 11 2HD PRO 11 -9.448 -0.676 -0.272
65 2HD PRO 11 1HD PRO 11 -9.428 -0.277 -2.003
66 H ALA 12 H ALA 12 -12.667 -0.437 0.765
67 HA ALA 12 HA ALA 12 -13.403 1.477 2.952
68 1HB ALA 12 1HB ALA 12 -14.659 -0.901 3.493
69 2HB ALA 12 2HB ALA 12 -14.565 -0.955 1.732
70 3HB ALA 12 3HB ALA 12 -15.374 0.394 2.531
71 H GLY 13 H GLY 13 -12.953 -2.033 3.139
72 1HA GLY 13 2HA GLY 13 -11.170 -1.655 5.452
73 2HA GLY 13 1HA GLY 13 -11.813 -3.196 4.880
74 H SER 14 H SER 14 -10.847 -4.075 2.857
75 HA SER 14 HA SER 14 -8.866 -4.829 1.784
76 1HB SER 14 2HB SER 14 -9.521 -2.100 1.262
77 2HB SER 14 1HB SER 14 -7.764 -2.226 1.312
78 HG SER 14 HG SER 14 -9.148 -2.784 -0.714
79 H THR 15 H THR 15 -6.336 -3.484 1.664
80 HA THR 15 HA THR 15 -5.398 -2.967 4.391
81 HB THR 15 HB THR 15 -4.514 -5.479 2.941
82 HG1 THR 15 HG1 THR 15 -5.835 -5.939 5.212
83 1HG2 THR 15 1HG2 THR 15 -3.719 -5.980 5.346
84 2HG2 THR 15 2HG2 THR 15 -3.945 -4.256 5.639
85 3HG2 THR 15 3HG2 THR 15 -2.797 -4.800 4.416
86 H CYS 16 H CYS 16 -3.633 -1.635 4.213
87 HA CYS 16 HA CYS 16 -2.489 -1.109 1.564
88 1HB CYS 16 2HB CYS 16 -2.436 0.022 4.318
89 2HB CYS 16 1HB CYS 16 -1.048 0.382 3.290
90 H SER 17 H SER 17 -0.725 -2.183 0.785
91 HA SER 17 HA SER 17 0.867 -3.885 2.622
92 1HB SER 17 2HB SER 17 0.961 -3.567 -0.390
93 2HB SER 17 1HB SER 17 1.610 -4.907 0.551
94 HG SER 17 HG SER 17 -0.576 -5.112 -0.474
95 H SER 18 H SER 18 3.167 -3.797 0.790
96 HA SER 18 HA SER 18 4.336 -1.272 0.386
97 1HB SER 18 2HB SER 18 4.064 -0.676 2.648
98 2HB SER 18 1HB SER 18 4.389 -2.313 3.212
99 HG SER 18 HG SER 18 6.159 -0.313 2.339
100 H ALA 19 H ALA 19 4.582 -3.673 -0.897
101 HA ALA 19 HA ALA 19 6.750 -5.345 -0.110
102 1HB ALA 19 1HB ALA 19 5.993 -6.456 -1.920
103 2HB ALA 19 2HB ALA 19 6.402 -5.104 -2.976
104 3HB ALA 19 3HB ALA 19 4.842 -5.140 -2.154
105 H PHE 20 H PHE 20 8.475 -5.475 -2.257
106 HA PHE 20 HA PHE 20 9.705 -2.808 -2.661
107 1HB PHE 20 2HB PHE 20 10.762 -5.042 -0.942
108 2HB PHE 20 1HB PHE 20 11.883 -3.934 -1.735
109 HD1 PHE 20 HD1 PHE 20 11.399 -1.387 -1.451
110 HD2 PHE 20 HD2 PHE 20 9.778 -4.442 1.096
111 HE1 PHE 20 HE1 PHE 20 10.964 0.308 0.305
112 HE2 PHE 20 HE2 PHE 20 9.339 -2.746 2.851
113 HZ PHE 20 HZ PHE 20 9.933 -0.371 2.457
114 H GLY 21 H GLY 21 11.396 -5.899 -2.753
115 1HA GLY 21 2HA GLY 21 10.886 -6.724 -5.392
116 2HA GLY 21 1HA GLY 21 12.188 -5.537 -5.495
117 H PHE 22 H PHE 22 14.063 -5.955 -3.939
118 HA PHE 22 HA PHE 22 14.428 -8.857 -3.355
119 1HB PHE 22 2HB PHE 22 15.952 -9.084 -5.022
120 2HB PHE 22 1HB PHE 22 15.396 -7.527 -5.620
121 HD1 PHE 22 HD1 PHE 22 18.026 -9.291 -3.748
122 HD2 PHE 22 HD2 PHE 22 16.663 -5.471 -5.165
123 HE1 PHE 22 HE1 PHE 22 20.257 -8.318 -3.274
124 HE2 PHE 22 HE2 PHE 22 18.894 -4.500 -4.691
125 HZ PHE 22 HZ PHE 22 20.692 -5.924 -3.746
126 H ARG 23 H ARG 23 15.624 -5.530 -2.996
127 HA ARG 23 HA ARG 23 16.808 -6.319 -0.354
128 1HB ARG 23 2HB ARG 23 18.511 -5.790 -2.017
129 2HB ARG 23 1HB ARG 23 17.683 -4.291 -2.434
130 1HG ARG 23 2HG ARG 23 19.130 -3.365 -0.936
131 2HG ARG 23 1HG ARG 23 17.974 -3.965 0.255
132 1HD ARG 23 2HD ARG 23 19.327 -5.758 0.865
133 2HD ARG 23 1HD ARG 23 20.132 -5.820 -0.716
134 HE ARG 23 HE ARG 23 20.561 -3.438 1.025
135 1HH1 ARG 23 1HH2 ARG 23 21.750 -6.539 0.379
136 2HH1 ARG 23 2HH2 ARG 23 23.393 -6.040 0.145
137 1HH2 ARG 23 2HH1 ARG 23 22.661 -2.651 0.304
138 2HH2 ARG 23 1HH1 ARG 23 23.908 -3.836 0.102
139 H ASN 24 H ASN 24 16.464 -3.074 -1.702
140 HA ASN 24 HA ASN 24 14.007 -2.379 -0.367
141 1HB ASN 24 2HB ASN 24 16.361 -2.655 1.233
142 2HB ASN 24 1HB ASN 24 15.945 -0.942 1.174
143 1HD2 ASN 24 1HD2 ASN 24 14.947 -4.065 2.414
144 2HD2 ASN 24 2HD2 ASN 24 13.577 -3.512 3.252
145 H LEU 25 H LEU 25 14.762 -1.748 -2.889
146 HA LEU 25 HA LEU 25 15.940 0.989 -2.881
147 1HB LEU 25 2HB LEU 25 15.050 -0.777 -5.181
148 2HB LEU 25 1HB LEU 25 16.131 0.612 -5.267
149 HG LEU 25 HG LEU 25 16.738 -1.873 -3.648
150 1HD1 LEU 25 1HD1 LEU 25 16.881 -2.760 -5.777
151 2HD1 LEU 25 2HD1 LEU 25 18.480 -2.023 -5.671
152 3HD1 LEU 25 3HD1 LEU 25 17.179 -1.190 -6.523
153 1HD2 LEU 25 1HD2 LEU 25 18.997 -0.949 -3.590
154 2HD2 LEU 25 2HD2 LEU 25 17.868 0.271 -3.001
155 3HD2 LEU 25 3HD2 LEU 25 18.512 0.383 -4.639
156 H SER 26 H SER 26 13.075 -0.718 -4.185
157 HA SER 26 HA SER 26 11.514 1.820 -3.872
158 1HB SER 26 2HB SER 26 11.106 -0.055 -6.186
159 2HB SER 26 1HB SER 26 10.760 1.668 -6.084
160 HG SER 26 HG SER 26 12.643 1.203 -7.324
161 H LEU 27 H LEU 27 9.613 1.448 -2.784
162 HA LEU 27 HA LEU 27 8.916 -0.999 -1.590
163 1HB LEU 27 2HB LEU 27 7.054 1.224 -2.471
164 2HB LEU 27 1HB LEU 27 6.821 0.125 -1.111
165 HG LEU 27 HG LEU 27 9.391 1.328 -0.823
166 1HD1 LEU 27 1HD1 LEU 27 8.881 3.676 -0.765
167 2HD1 LEU 27 2HD1 LEU 27 7.172 3.373 -1.079
168 3HD1 LEU 27 3HD1 LEU 27 8.366 3.083 -2.345
169 1HD2 LEU 27 1HD2 LEU 27 8.658 1.341 1.315
170 2HD2 LEU 27 2HD2 LEU 27 7.158 0.635 0.714
171 3HD2 LEU 27 3HD2 LEU 27 7.293 2.382 0.907
172 H VAL 28 H VAL 28 7.082 0.473 -4.301
173 HA VAL 28 HA VAL 28 5.919 -0.552 -6.080
174 HB VAL 28 HB VAL 28 8.288 -2.235 -5.443
175 1HG1 VAL 28 1HG1 VAL 28 7.083 -4.156 -5.858
176 2HG1 VAL 28 2HG1 VAL 28 7.403 -3.681 -7.525
177 3HG1 VAL 28 3HG1 VAL 28 5.847 -3.306 -6.786
178 1HG2 VAL 28 1HG2 VAL 28 8.963 -1.575 -7.579
179 2HG2 VAL 28 2HG2 VAL 28 7.974 -0.204 -7.076
180 3HG2 VAL 28 3HG2 VAL 28 7.306 -1.422 -8.163
181 H TRP 29 H TRP 29 3.871 -0.824 -5.096
182 HA TRP 29 HA TRP 29 2.914 -3.490 -4.674
183 1HB TRP 29 2HB TRP 29 2.609 -3.342 -2.194
184 2HB TRP 29 1HB TRP 29 4.305 -3.359 -2.674
185 HD1 TRP 29 HD1 TRP 29 5.640 -1.060 -2.566
186 HE1 TRP 29 HE1 TRP 29 5.256 1.083 -1.179
187 HE3 TRP 29 HE3 TRP 29 0.812 -1.814 -1.079
188 HZ2 TRP 29 HZ2 TRP 29 3.189 2.295 0.372
189 HZ3 TRP 29 HZ3 TRP 29 -0.320 -0.172 0.363
190 HH2 TRP 29 HH2 TRP 29 0.849 1.887 1.089
191 H GLY 30 H GLY 30 0.859 -2.952 -2.797
192 1HA GLY 30 2HA GLY 30 -0.480 -0.456 -3.266
193 2HA GLY 30 1HA GLY 30 -1.109 -1.684 -4.364
194 H CYS 31 H CYS 31 -2.989 -0.844 -2.741
195 HA CYS 31 HA CYS 31 -3.083 -2.101 -0.126
196 1HB CYS 31 2HB CYS 31 -4.380 -0.089 -1.372
197 2HB CYS 31 1HB CYS 31 -5.553 -1.380 -1.632
198 H SER 32 H SER 32 -3.842 -4.143 0.389
199 HA SER 32 HA SER 32 -4.574 -5.947 -1.858
200 1HB SER 32 2HB SER 32 -3.680 -7.585 -0.507
201 2HB SER 32 1HB SER 32 -2.883 -6.202 0.239
202 HG SER 32 HG SER 32 -4.185 -7.787 1.585
203 HA PRO 33 HA PRO 33 -8.825 -5.441 -0.648
204 1HB PRO 33 2HB PRO 33 -9.862 -7.300 -2.369
205 2HB PRO 33 1HB PRO 33 -9.351 -5.680 -2.885
206 1HG PRO 33 2HG PRO 33 -7.937 -8.284 -3.145
207 2HG PRO 33 1HG PRO 33 -8.017 -6.924 -4.275
208 1HD PRO 33 2HD PRO 33 -5.871 -7.428 -2.662
209 2HD PRO 33 1HD PRO 33 -6.299 -5.809 -3.260
210 H VAL 34 H VAL 34 -7.618 -6.737 1.327
211 HA VAL 34 HA VAL 34 -7.594 -8.650 2.764
212 HB VAL 34 HB VAL 34 -9.578 -7.205 3.213
213 1HG1 VAL 34 1HG1 VAL 34 -10.984 -7.261 1.375
214 2HG1 VAL 34 2HG1 VAL 34 -11.786 -8.452 2.401
215 3HG1 VAL 34 3HG1 VAL 34 -10.723 -8.983 1.097
216 1HG2 VAL 34 1HG2 VAL 34 -10.943 -9.595 3.862
217 2HG2 VAL 34 2HG2 VAL 34 -9.853 -8.673 4.899
218 3HG2 VAL 34 3HG2 VAL 34 -9.223 -9.989 3.904
219 H GLU 35 HN GLU 35 -6.911 -9.737 0.338
220 HA GLU 35 HA GLU 35 -8.349 -12.332 0.413
221 1HB GLU 35 2HB GLU 35 -9.400 -10.649 -1.240
222 2HB GLU 35 1HB GLU 35 -7.930 -10.853 -2.191
223 1HG GLU 35 2HG GLU 35 -9.190 -12.536 -3.131
224 2HG GLU 35 1HG GLU 35 -8.493 -13.440 -1.786
Start of MODEL 10
1 1H ASP 1 1H ASP 1 -13.747 4.917 -0.566
2 2H ASP 1 2H ASP 1 -13.667 5.780 0.895
3 3H ASP 1 3H ASP 1 -13.003 4.220 0.789
4 HA ASP 1 HA ASP 1 -11.447 5.139 -0.968
5 1HB ASP 1 2HB ASP 1 -12.468 7.710 0.277
6 2HB ASP 1 1HB ASP 1 -11.324 7.560 -1.057
7 H HIS 2 H HIS 2 -9.432 4.908 -0.058
8 HA HIS 2 HA HIS 2 -8.886 6.020 2.642
9 1HB HIS 2 2HB HIS 2 -9.643 3.320 2.103
10 2HB HIS 2 1HB HIS 2 -7.939 3.315 2.559
11 HD1 HIS 2 HD1 HIS 2 -7.959 2.671 4.983
12 HD2 HIS 2 HD2 HIS 2 -10.798 5.603 4.130
13 HE1 HIS 2 HE1 HIS 2 -8.947 3.380 7.205
14 H VAL 3 H VAL 3 -6.448 5.301 3.189
15 HA VAL 3 HA VAL 3 -4.792 5.189 0.714
16 HB VAL 3 HB VAL 3 -3.657 7.222 1.266
17 1HG1 VAL 3 1HG1 VAL 3 -6.515 7.835 2.025
18 2HG1 VAL 3 2HG1 VAL 3 -6.079 7.357 0.384
19 3HG1 VAL 3 3HG1 VAL 3 -5.394 8.823 1.087
20 1HG2 VAL 3 1HG2 VAL 3 -4.710 8.358 3.498
21 2HG2 VAL 3 2HG2 VAL 3 -3.251 7.368 3.517
22 3HG2 VAL 3 3HG2 VAL 3 -4.807 6.656 3.945
23 H CYS 4 H CYS 4 -2.844 4.097 1.049
24 HA CYS 4 HA CYS 4 -2.420 3.004 3.799
25 1HB CYS 4 2HB CYS 4 -2.744 1.539 1.752
26 2HB CYS 4 1HB CYS 4 -1.200 2.150 1.159
27 H ASP 5 H ASP 5 -0.547 4.464 1.093
28 HA ASP 5 HA ASP 5 1.337 5.578 3.121
29 1HB ASP 5 2HB ASP 5 1.987 3.760 0.794
30 2HB ASP 5 1HB ASP 5 3.208 4.765 1.572
31 H ASP 6 H ASP 6 -0.628 6.996 1.593
32 HA ASP 6 HA ASP 6 -0.714 9.008 0.338
33 1HB ASP 6 2HB ASP 6 1.905 8.714 1.396
34 2HB ASP 6 1HB ASP 6 2.091 9.255 -0.272
35 H ASN 7 H ASN 7 2.001 7.085 -1.001
36 HA ASN 7 HA ASN 7 1.533 7.735 -3.729
37 1HB ASN 7 2HB ASN 7 3.515 6.619 -2.457
38 2HB ASN 7 1HB ASN 7 2.653 5.109 -2.757
39 1HD2 ASN 7 1HD2 ASN 7 3.678 4.129 -4.515
40 2HD2 ASN 7 2HD2 ASN 7 4.093 4.921 -5.959
41 H PHE 8 H PHE 8 -0.332 5.764 -1.643
42 HA PHE 8 HA PHE 8 -1.682 4.510 -4.016
43 1HB PHE 8 2HB PHE 8 -0.198 3.145 -2.275
44 2HB PHE 8 1HB PHE 8 -1.673 3.226 -1.310
45 HD1 PHE 8 HD1 PHE 8 -3.071 1.380 -1.520
46 HD2 PHE 8 HD2 PHE 8 -0.806 2.686 -4.928
47 HE1 PHE 8 HE1 PHE 8 -4.057 -0.448 -2.875
48 HE2 PHE 8 HE2 PHE 8 -1.792 0.857 -6.284
49 HZ PHE 8 HZ PHE 8 -3.416 -0.710 -5.258
50 H SER 9 H SER 9 -3.937 3.551 -2.948
51 HA SER 9 HA SER 9 -5.136 5.471 -1.057
52 1HB SER 9 2HB SER 9 -6.920 5.963 -2.859
53 2HB SER 9 1HB SER 9 -5.355 6.752 -3.029
54 HG SER 9 HG SER 9 -5.461 5.853 -4.944
55 H CYS 10 H CYS 10 -7.020 3.813 -3.499
56 HA CYS 10 HA CYS 10 -8.472 1.953 -3.347
57 1HB CYS 10 2HB CYS 10 -6.069 1.393 -1.824
58 2HB CYS 10 1HB CYS 10 -7.462 0.598 -1.090
59 HA PRO 11 HA PRO 11 -11.392 3.127 -0.283
60 1HB PRO 11 2HB PRO 11 -12.932 0.869 -0.138
61 2HB PRO 11 1HB PRO 11 -12.973 1.980 -1.522
62 1HG PRO 11 2HG PRO 11 -11.601 -0.641 -1.241
63 2HG PRO 11 1HG PRO 11 -12.414 0.064 -2.645
64 1HD PRO 11 2HD PRO 11 -9.696 0.011 -2.320
65 2HD PRO 11 1HD PRO 11 -10.556 1.213 -3.306
66 H ALA 12 H ALA 12 -12.484 2.073 1.821
67 HA ALA 12 HA ALA 12 -10.293 1.353 3.614
68 1HB ALA 12 1HB ALA 12 -12.776 1.038 4.896
69 2HB ALA 12 2HB ALA 12 -13.038 2.307 3.700
70 3HB ALA 12 3HB ALA 12 -11.765 2.483 4.908
71 H GLY 13 H GLY 13 -12.897 -0.353 1.961
72 1HA GLY 13 2HA GLY 13 -13.081 -2.710 3.467
73 2HA GLY 13 1HA GLY 13 -13.249 -2.665 1.710
74 H SER 14 H SER 14 -10.864 -2.157 0.704
75 HA SER 14 HA SER 14 -9.250 -4.513 1.457
76 1HB SER 14 2HB SER 14 -9.409 -2.500 -0.762
77 2HB SER 14 1HB SER 14 -7.922 -3.426 -0.573
78 HG SER 14 HG SER 14 -9.129 -4.727 -1.799
79 H THR 15 H THR 15 -6.723 -3.981 1.285
80 HA THR 15 HA THR 15 -6.146 -1.564 2.965
81 HB THR 15 HB THR 15 -4.920 -4.340 3.116
82 HG1 THR 15 HG1 THR 15 -6.915 -3.026 4.625
83 1HG2 THR 15 1HG2 THR 15 -3.340 -2.724 3.894
84 2HG2 THR 15 2HG2 THR 15 -4.091 -3.407 5.335
85 3HG2 THR 15 3HG2 THR 15 -4.589 -1.818 4.751
86 H CYS 16 H CYS 16 -3.474 -3.579 2.238
87 HA CYS 16 HA CYS 16 -2.869 -2.550 -0.402
88 1HB CYS 16 2HB CYS 16 -0.796 -1.278 0.675
89 2HB CYS 16 1HB CYS 16 -2.350 -0.476 0.479
90 H SER 17 H SER 17 -1.559 -4.049 -1.304
91 HA SER 17 HA SER 17 -0.568 -6.364 -0.193
92 1HB SER 17 2HB SER 17 -0.283 -4.874 -2.563
93 2HB SER 17 1HB SER 17 1.364 -5.203 -2.032
94 HG SER 17 HG SER 17 -0.743 -7.047 -2.495
95 H SER 18 H SER 18 1.673 -3.642 -0.803
96 HA SER 18 HA SER 18 2.641 -3.367 1.837
97 1HB SER 18 2HB SER 18 3.325 -5.620 1.835
98 2HB SER 18 1HB SER 18 3.842 -5.553 0.152
99 HG SER 18 HG SER 18 5.657 -5.472 1.443
100 H ALA 19 H ALA 19 5.398 -3.854 -0.075
101 HA ALA 19 HA ALA 19 5.337 -1.332 -1.552
102 1HB ALA 19 1HB ALA 19 7.221 -1.461 0.794
103 2HB ALA 19 2HB ALA 19 5.568 -0.889 1.012
104 3HB ALA 19 3HB ALA 19 6.655 -0.043 -0.088
105 H PHE 20 H PHE 20 7.636 -3.500 0.129
106 HA PHE 20 HA PHE 20 8.887 -4.123 -2.492
107 1HB PHE 20 2HB PHE 20 11.104 -3.736 -0.932
108 2HB PHE 20 1HB PHE 20 10.450 -2.523 -2.026
109 HD1 PHE 20 HD1 PHE 20 9.794 -3.810 1.451
110 HD2 PHE 20 HD2 PHE 20 10.108 -0.414 -1.157
111 HE1 PHE 20 HE1 PHE 20 9.352 -2.297 3.368
112 HE2 PHE 20 HE2 PHE 20 9.669 1.099 0.757
113 HZ PHE 20 HZ PHE 20 9.290 0.158 3.020
114 H GLY 21 H GLY 21 11.097 -5.532 -1.452
115 1HA GLY 21 2HA GLY 21 9.753 -7.924 -0.433
116 2HA GLY 21 1HA GLY 21 11.469 -7.789 -0.825
117 H PHE 22 H PHE 22 12.918 -7.196 0.804
118 HA PHE 22 HA PHE 22 11.750 -6.660 3.510
119 1HB PHE 22 2HB PHE 22 13.171 -8.342 4.444
120 2HB PHE 22 1HB PHE 22 12.457 -9.076 3.009
121 HD1 PHE 22 HD1 PHE 22 13.821 -8.817 0.778
122 HD2 PHE 22 HD2 PHE 22 15.495 -8.341 4.705
123 HE1 PHE 22 HE1 PHE 22 16.087 -9.226 -0.139
124 HE2 PHE 22 HE2 PHE 22 17.763 -8.750 3.788
125 HZ PHE 22 HZ PHE 22 18.059 -9.191 1.365
126 H ARG 23 H ARG 23 13.433 -5.289 1.162
127 HA ARG 23 HA ARG 23 15.411 -4.005 3.020
128 1HB ARG 23 2HB ARG 23 16.806 -3.758 0.942
129 2HB ARG 23 1HB ARG 23 16.501 -5.441 1.374
130 1HG ARG 23 2HG ARG 23 14.347 -4.501 -0.279
131 2HG ARG 23 1HG ARG 23 15.878 -4.138 -1.075
132 1HD ARG 23 2HD ARG 23 15.564 -6.851 0.156
133 2HD ARG 23 1HD ARG 23 14.735 -6.526 -1.378
134 HE ARG 23 HE ARG 23 17.397 -5.503 -1.542
135 1HH1 ARG 23 2HH1 ARG 23 15.402 -8.252 -1.949
136 2HH1 ARG 23 1HH1 ARG 23 16.664 -9.256 -2.584
137 1HH2 ARG 23 1HH2 ARG 23 19.148 -6.878 -2.119
138 2HH2 ARG 23 2HH2 ARG 23 18.787 -8.479 -2.675
139 H ASN 24 H ASN 24 15.656 -2.471 0.122
140 HA ASN 24 HA ASN 24 13.292 -0.705 0.473
141 1HB ASN 24 2HB ASN 24 16.202 -0.025 0.877
142 2HB ASN 24 1HB ASN 24 15.058 1.222 0.377
143 1HD2 ASN 24 1HD2 ASN 24 16.226 -0.573 3.094
144 2HD2 ASN 24 2HD2 ASN 24 15.091 -0.011 4.225
145 H LEU 25 H LEU 25 14.272 -2.592 -1.635
146 HA LEU 25 HA LEU 25 15.536 -1.558 -3.855
147 1HB LEU 25 2HB LEU 25 13.692 -3.606 -3.234
148 2HB LEU 25 1HB LEU 25 13.008 -2.759 -4.621
149 HG LEU 25 HG LEU 25 14.474 -4.536 -5.417
150 1HD1 LEU 25 1HD1 LEU 25 14.702 -1.813 -6.086
151 2HD1 LEU 25 2HD1 LEU 25 15.200 -3.187 -7.072
152 3HD1 LEU 25 3HD1 LEU 25 16.359 -2.407 -5.996
153 1HD2 LEU 25 1HD2 LEU 25 16.599 -3.153 -3.749
154 2HD2 LEU 25 2HD2 LEU 25 16.886 -4.505 -4.844
155 3HD2 LEU 25 3HD2 LEU 25 15.887 -4.729 -3.408
156 H SER 26 H SER 26 12.098 -1.004 -3.032
157 HA SER 26 HA SER 26 11.970 1.720 -3.744
158 1HB SER 26 2HB SER 26 12.290 -0.096 -5.967
159 2HB SER 26 1HB SER 26 10.728 0.709 -6.087
160 HG SER 26 HG SER 26 11.706 2.559 -6.403
161 H LEU 27 H LEU 27 9.633 2.406 -4.162
162 HA LEU 27 HA LEU 27 7.847 0.849 -2.453
163 1HB LEU 27 2HB LEU 27 7.539 3.352 -4.147
164 2HB LEU 27 1HB LEU 27 6.295 2.754 -3.048
165 HG LEU 27 HG LEU 27 9.082 3.695 -2.334
166 1HD1 LEU 27 1HD1 LEU 27 7.258 4.913 -0.676
167 2HD1 LEU 27 2HD1 LEU 27 6.350 4.783 -2.183
168 3HD1 LEU 27 3HD1 LEU 27 7.900 5.625 -2.157
169 1HD2 LEU 27 1HD2 LEU 27 7.238 1.839 -0.962
170 2HD2 LEU 27 2HD2 LEU 27 7.823 3.167 0.043
171 3HD2 LEU 27 3HD2 LEU 27 8.971 2.075 -0.734
172 H VAL 28 H VAL 28 7.852 -1.128 -3.867
173 HA VAL 28 HA VAL 28 6.059 -0.843 -6.252
174 HB VAL 28 HB VAL 28 8.338 -2.636 -5.450
175 1HG1 VAL 28 1HG1 VAL 28 7.513 -3.891 -7.680
176 2HG1 VAL 28 2HG1 VAL 28 5.940 -3.399 -7.055
177 3HG1 VAL 28 3HG1 VAL 28 7.001 -4.408 -6.072
178 1HG2 VAL 28 1HG2 VAL 28 9.253 -1.220 -6.966
179 2HG2 VAL 28 2HG2 VAL 28 7.673 -0.671 -7.526
180 3HG2 VAL 28 3HG2 VAL 28 8.377 -2.150 -8.181
181 H TRP 29 H TRP 29 4.025 -1.049 -5.218
182 HA TRP 29 HA TRP 29 3.361 -3.742 -4.213
183 1HB TRP 29 2HB TRP 29 2.486 -2.717 -2.079
184 2HB TRP 29 1HB TRP 29 4.234 -2.677 -2.238
185 HD1 TRP 29 HD1 TRP 29 4.972 -0.196 -3.693
186 HE1 TRP 29 HE1 TRP 29 4.285 2.169 -2.945
187 HE3 TRP 29 HE3 TRP 29 0.960 -1.331 -0.739
188 HZ2 TRP 29 HZ2 TRP 29 2.306 3.420 -1.302
189 HZ3 TRP 29 HZ3 TRP 29 -0.295 0.471 0.410
190 HH2 TRP 29 HH2 TRP 29 0.368 2.837 0.131
191 H GLY 30 H GLY 30 0.879 -2.877 -2.969
192 1HA GLY 30 2HA GLY 30 -0.614 -1.128 -4.679
193 2HA GLY 30 1HA GLY 30 -0.817 -2.785 -5.245
194 H CYS 31 H CYS 31 -3.057 -2.741 -4.674
195 HA CYS 31 HA CYS 31 -3.871 -2.248 -1.897
196 1HB CYS 31 2HB CYS 31 -5.044 -1.952 -4.298
197 2HB CYS 31 1HB CYS 31 -5.645 -3.560 -3.893
198 H SER 32 H SER 32 -5.446 -4.004 -0.979
199 HA SER 32 HA SER 32 -4.896 -6.800 -1.569
200 1HB SER 32 2HB SER 32 -3.570 -7.246 0.442
201 2HB SER 32 1HB SER 32 -2.772 -5.996 -0.509
202 HG SER 32 HG SER 32 -3.409 -5.822 1.974
203 HA PRO 33 HA PRO 33 -8.721 -6.881 0.637
204 1HB PRO 33 2HB PRO 33 -8.914 -9.583 1.040
205 2HB PRO 33 1HB PRO 33 -9.204 -8.819 -0.537
206 1HG PRO 33 2HG PRO 33 -6.778 -10.229 0.466
207 2HG PRO 33 1HG PRO 33 -7.533 -10.283 -1.136
208 1HD PRO 33 2HD PRO 33 -5.317 -8.806 -0.589
209 2HD PRO 33 1HD PRO 33 -6.505 -8.349 -1.830
210 H VAL 34 H VAL 34 -9.020 -6.418 2.781
211 HA VAL 34 HA VAL 34 -7.019 -6.967 4.791
212 HB VAL 34 HB VAL 34 -8.621 -5.041 4.710
213 1HG1 VAL 34 1HG1 VAL 34 -10.607 -7.240 5.339
214 2HG1 VAL 34 2HG1 VAL 34 -10.620 -6.152 3.951
215 3HG1 VAL 34 3HG1 VAL 34 -10.950 -5.524 5.565
216 1HG2 VAL 34 1HG2 VAL 34 -9.227 -5.126 7.141
217 2HG2 VAL 34 2HG2 VAL 34 -7.550 -5.576 6.834
218 3HG2 VAL 34 3HG2 VAL 34 -8.752 -6.823 7.163
219 H GLU 35 HN GLU 35 -9.493 -8.865 3.424
220 HA GLU 35 HA GLU 35 -10.633 -10.818 4.158
221 1HB GLU 35 2HB GLU 35 -9.004 -12.511 4.491
222 2HB GLU 35 1HB GLU 35 -8.160 -11.271 3.566
223 1HG GLU 35 2HG GLU 35 -7.070 -10.425 5.538
224 2HG GLU 35 1HG GLU 35 -8.074 -11.424 6.591