NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
626641 |
5w96   |
30311 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 1.709 -17.766 -11.071
2 H2 LEU 1 H2 LEU 1 0.896 -17.901 -12.577
3 H3 LEU 1 H3 LEU 1 0.258 -18.671 -11.182
4 HA LEU 1 HA LEU 1 0.358 -15.823 -11.851
5 HB2 LEU 1 HB1 LEU 1 -1.671 -17.946 -11.360
6 HB3 LEU 1 HB2 LEU 1 -2.077 -16.308 -10.882
7 HG LEU 1 HG LEU 1 -2.946 -16.780 -13.098
8 HD11 LEU 1 HD11 LEU 1 -2.152 -14.856 -14.219
9 HD12 LEU 1 HD12 LEU 1 -0.590 -14.937 -13.405
10 HD13 LEU 1 HD13 LEU 1 -2.038 -14.507 -12.494
11 HD21 LEU 1 HD21 LEU 1 -1.644 -17.460 -14.921
12 HD22 LEU 1 HD22 LEU 1 -1.102 -18.479 -13.587
13 HD23 LEU 1 HD23 LEU 1 -0.131 -17.096 -14.092
14 HA PRO 2 HA PRO 2 1.789 -15.862 -7.431
15 HB2 PRO 2 HB2 PRO 2 2.251 -13.047 -8.299
16 HB3 PRO 2 HB1 PRO 2 3.297 -14.123 -7.364
17 HG2 PRO 2 HG2 PRO 2 3.814 -13.622 -9.926
18 HG3 PRO 2 HG1 PRO 2 4.052 -15.244 -9.250
19 HD2 PRO 2 HD2 PRO 2 1.867 -14.221 -11.007
20 HD3 PRO 2 HD1 PRO 2 2.634 -15.822 -10.973
21 H SER 3 H SER 3 -0.076 -13.359 -9.138
22 HA SER 3 HA SER 3 -1.909 -12.149 -8.549
23 HB2 SER 3 HB1 SER 3 -2.514 -14.692 -7.874
24 HB3 SER 3 HB2 SER 3 -2.639 -13.925 -6.291
25 HG SER 3 HG SER 3 -4.522 -13.282 -6.941
26 H ASP 4 H ASP 4 -0.678 -10.401 -7.773
27 HA ASP 4 HA ASP 4 0.029 -10.297 -4.966
28 HB2 ASP 4 HB1 ASP 4 1.363 -9.282 -6.935
29 HB3 ASP 4 HB2 ASP 4 0.181 -7.978 -6.876
30 H ASP 5 H ASP 5 -1.257 -9.570 -3.412
31 HA ASP 5 HA ASP 5 -3.644 -8.034 -4.173
32 HB2 ASP 5 HB1 ASP 5 -3.050 -9.872 -1.866
33 HB3 ASP 5 HB2 ASP 5 -4.387 -8.728 -1.796
34 H LEU 6 H LEU 6 -3.951 -6.012 -3.450
35 HA LEU 6 HA LEU 6 -1.792 -4.677 -2.110
36 HB2 LEU 6 HB1 LEU 6 -4.396 -3.866 -3.311
37 HB3 LEU 6 HB2 LEU 6 -3.638 -2.776 -2.166
38 HG LEU 6 HG LEU 6 -3.102 -2.222 -4.509
39 HD11 LEU 6 HD11 LEU 6 -1.020 -1.531 -3.984
40 HD12 LEU 6 HD12 LEU 6 -0.500 -3.134 -3.464
41 HD13 LEU 6 HD13 LEU 6 -1.466 -2.128 -2.385
42 HD21 LEU 6 HD21 LEU 6 -3.135 -4.629 -5.268
43 HD22 LEU 6 HD22 LEU 6 -1.522 -4.781 -4.572
44 HD23 LEU 6 HD23 LEU 6 -1.810 -3.645 -5.889
45 H GLU 7 H GLU 7 -4.935 -5.919 -1.225
46 HA GLU 7 HA GLU 7 -5.315 -4.553 1.188
47 HB2 GLU 7 HB1 GLU 7 -6.856 -6.345 1.775
48 HB3 GLU 7 HB2 GLU 7 -7.064 -5.889 0.090
49 HG2 GLU 7 HG1 GLU 7 -7.017 -8.096 -0.263
50 HG3 GLU 7 HG2 GLU 7 -5.269 -7.890 -0.158
51 H PHE 8 H PHE 8 -3.346 -7.326 0.384
52 HA PHE 8 HA PHE 8 -2.704 -7.807 3.189
53 HB2 PHE 8 HB2 PHE 8 -3.115 -9.744 1.725
54 HB3 PHE 8 HB1 PHE 8 -1.774 -9.250 0.697
55 HD1 PHE 8 HD1 PHE 8 -2.696 -10.593 3.991
56 HD2 PHE 8 HD2 PHE 8 0.485 -9.683 1.315
57 HE1 PHE 8 HE1 PHE 8 -1.152 -11.903 5.388
58 HE2 PHE 8 HE2 PHE 8 2.035 -10.992 2.707
59 HZ PHE 8 HZ PHE 8 1.218 -12.104 4.746
60 H TRP 9 H TRP 9 -1.295 -6.497 0.269
61 HA TRP 9 HA TRP 9 1.380 -6.366 1.265
62 HB2 TRP 9 HB2 TRP 9 0.325 -6.180 -1.210
63 HB3 TRP 9 HB1 TRP 9 0.532 -4.469 -0.850
64 HD1 TRP 9 HD1 TRP 9 2.363 -7.304 -2.264
65 HE1 TRP 9 HE1 TRP 9 4.885 -6.807 -2.392
66 HE3 TRP 9 HE3 TRP 9 2.534 -3.183 0.757
67 HZ2 TRP 9 HZ2 TRP 9 6.706 -4.919 -1.350
68 HZ3 TRP 9 HZ3 TRP 9 4.705 -2.090 1.140
69 HH2 TRP 9 HH2 TRP 9 6.747 -2.942 0.108
70 H CYS 10 H CYS 10 -1.015 -3.805 0.590
71 HA CYS 10 HA CYS 10 0.458 -1.846 2.060
72 HB2 CYS 10 HB2 CYS 10 -2.204 -1.920 0.693
73 HB3 CYS 10 HB1 CYS 10 -1.842 -0.599 1.797
74 H HIS 11 H HIS 11 0.546 -3.385 3.984
75 HA HIS 11 HA HIS 11 -1.042 -2.341 6.057
76 HB2 HIS 11 HB1 HIS 11 -2.032 -4.796 4.747
77 HB3 HIS 11 HB2 HIS 11 -1.959 -4.861 6.505
78 HD1 HIS 11 HD1 HIS 11 -3.137 -2.566 7.634
79 HD2 HIS 11 HD2 HIS 11 -4.383 -3.814 3.871
80 HE1 HIS 11 HE1 HIS 11 -5.390 -1.506 7.286
81 HE2 HIS 11 HE2 HIS 11 -6.085 -2.205 4.967
82 H VAL 12 H VAL 12 0.646 -5.312 5.062
83 HA VAL 12 HA VAL 12 1.732 -5.780 7.669
84 HB VAL 12 HB VAL 12 1.331 -7.629 6.104
85 HG11 VAL 12 HG11 VAL 12 3.741 -6.957 4.509
86 HG12 VAL 12 HG21 VAL 12 2.249 -6.088 4.149
87 HG13 VAL 12 HG13 VAL 12 2.290 -7.848 4.051
88 HG21 VAL 12 HG12 VAL 12 4.288 -7.620 6.446
89 HG22 VAL 12 HG22 VAL 12 3.112 -8.884 6.807
90 HG23 VAL 12 HG23 VAL 12 3.272 -7.495 7.883
91 H MET 13 H MET 13 2.840 -4.210 4.733
92 HA MET 13 HA MET 13 5.495 -3.782 5.869
93 HB2 MET 13 HB1 MET 13 4.352 -3.060 3.164
94 HB3 MET 13 HB2 MET 13 6.015 -2.778 3.659
95 HG2 MET 13 HG1 MET 13 4.656 -5.444 3.353
96 HG3 MET 13 HG2 MET 13 5.886 -4.754 2.295
97 HE1 MET 13 HE1 MET 13 5.607 -7.605 4.166
98 HE2 MET 13 HE2 MET 13 7.319 -7.889 4.479
99 HE3 MET 13 HE3 MET 13 6.781 -7.440 2.860
100 H TYR 14 H TYR 14 3.280 -1.636 4.084
101 HA TYR 14 HA TYR 14 4.280 0.696 5.369
102 HB2 TYR 14 HB2 TYR 14 1.900 0.180 3.592
103 HB3 TYR 14 HB1 TYR 14 2.238 1.773 4.262
104 HD1 TYR 14 HD1 TYR 14 4.111 3.086 3.466
105 HD2 TYR 14 HD2 TYR 14 3.355 -0.794 1.895
106 HE1 TYR 14 HE1 TYR 14 5.651 3.546 1.605
107 HE2 TYR 14 HE2 TYR 14 4.894 -0.346 0.030
108 HH TYR 14 HH TYR 14 6.767 1.105 -0.504
109 H1 LEU 51 H1 LEU 51 1.187 -4.784 -8.545
110 H2 LEU 51 H2 LEU 51 -0.366 -4.492 -9.216
111 H3 LEU 51 H3 LEU 51 0.729 -3.191 -8.983
112 HA LEU 51 HA LEU 51 0.802 -5.357 -10.948
113 HB2 LEU 51 HB1 LEU 51 0.596 -2.392 -10.871
114 HB3 LEU 51 HB2 LEU 51 1.466 -3.099 -12.219
115 HG LEU 51 HG LEU 51 -0.887 -2.659 -12.765
116 HD11 LEU 51 HD11 LEU 51 0.327 -4.497 -13.859
117 HD12 LEU 51 HD12 LEU 51 -1.401 -4.822 -13.718
118 HD13 LEU 51 HD13 LEU 51 -0.264 -5.604 -12.620
119 HD21 LEU 51 HD21 LEU 51 -1.556 -3.229 -10.299
120 HD22 LEU 51 HD22 LEU 51 -1.738 -4.861 -10.944
121 HD23 LEU 51 HD23 LEU 51 -2.679 -3.534 -11.624
122 HA PRO 52 HA PRO 52 5.196 -5.660 -10.614
123 HB2 PRO 52 HB2 PRO 52 5.857 -6.294 -13.167
124 HB3 PRO 52 HB1 PRO 52 5.065 -7.432 -12.072
125 HG2 PRO 52 HG2 PRO 52 3.870 -5.733 -14.228
126 HG3 PRO 52 HG1 PRO 52 3.543 -7.431 -13.831
127 HD2 PRO 52 HD2 PRO 52 1.913 -5.412 -13.055
128 HD3 PRO 52 HD1 PRO 52 2.138 -6.884 -12.088
129 H SER 53 H SER 53 3.804 -3.574 -13.069
130 HA SER 53 HA SER 53 6.266 -2.214 -13.654
131 HB2 SER 53 HB1 SER 53 3.393 -1.531 -14.319
132 HB3 SER 53 HB2 SER 53 4.794 -0.645 -14.920
133 HG SER 53 HG SER 53 4.121 -3.355 -15.411
134 H ASP 54 H ASP 54 3.220 -1.115 -12.149
135 HA ASP 54 HA ASP 54 4.272 1.300 -11.168
136 HB2 ASP 54 HB1 ASP 54 1.779 0.294 -11.365
137 HB3 ASP 54 HB2 ASP 54 2.064 0.034 -9.647
138 H ASP 55 H ASP 55 4.589 1.904 -8.907
139 HA ASP 55 HA ASP 55 5.913 -0.259 -7.418
140 HB2 ASP 55 HB1 ASP 55 6.347 2.730 -7.410
141 HB3 ASP 55 HB2 ASP 55 7.085 1.647 -6.234
142 H LEU 56 H LEU 56 5.707 -0.309 -5.108
143 HA LEU 56 HA LEU 56 3.031 0.105 -4.232
144 HB2 LEU 56 HB1 LEU 56 5.542 -0.935 -3.010
145 HB3 LEU 56 HB2 LEU 56 4.232 -0.468 -1.942
146 HG LEU 56 HG LEU 56 4.081 -2.826 -2.341
147 HD11 LEU 56 HD11 LEU 56 1.848 -2.941 -2.785
148 HD12 LEU 56 HD12 LEU 56 1.951 -1.844 -4.162
149 HD13 LEU 56 HD13 LEU 56 2.007 -1.205 -2.520
150 HD21 LEU 56 HD21 LEU 56 3.663 -3.640 -4.699
151 HD22 LEU 56 HD22 LEU 56 5.311 -3.128 -4.335
152 HD23 LEU 56 HD23 LEU 56 4.238 -2.065 -5.246
153 H GLU 57 H GLU 57 6.025 1.868 -3.884
154 HA GLU 57 HA GLU 57 5.344 3.525 -1.732
155 HB2 GLU 57 HB1 GLU 57 7.088 5.026 -2.549
156 HB3 GLU 57 HB2 GLU 57 7.622 3.353 -2.626
157 HG2 GLU 57 HG1 GLU 57 6.785 3.474 -5.080
158 HG3 GLU 57 HG2 GLU 57 6.912 5.217 -4.844
159 H PHE 58 H PHE 58 4.497 3.664 -5.119
160 HA PHE 58 HA PHE 58 3.239 6.281 -4.776
161 HB2 PHE 58 HB2 PHE 58 4.635 5.824 -6.794
162 HB3 PHE 58 HB1 PHE 58 3.468 4.599 -7.279
163 HD1 PHE 58 HD1 PHE 58 4.257 8.111 -7.208
164 HD2 PHE 58 HD2 PHE 58 1.140 5.285 -7.848
165 HE1 PHE 58 HE1 PHE 58 2.934 9.837 -8.358
166 HE2 PHE 58 HE2 PHE 58 -0.189 7.006 -8.999
167 HZ PHE 58 HZ PHE 58 0.708 9.286 -9.256
168 H TRP 59 H TRP 59 2.447 2.914 -5.411
169 HA TRP 59 HA TRP 59 -0.329 3.364 -5.883
170 HB2 TRP 59 HB2 TRP 59 1.334 1.260 -6.309
171 HB3 TRP 59 HB1 TRP 59 0.494 0.717 -4.860
172 HD1 TRP 59 HD1 TRP 59 0.081 1.024 -8.562
173 HE1 TRP 59 HE1 TRP 59 -2.275 0.248 -9.249
174 HE3 TRP 59 HE3 TRP 59 -2.070 0.760 -3.931
175 HZ2 TRP 59 HZ2 TRP 59 -4.721 -0.391 -7.994
176 HZ3 TRP 59 HZ3 TRP 59 -4.422 0.059 -3.762
177 HH2 TRP 59 HH2 TRP 59 -5.719 -0.504 -5.752
178 H CYS 60 H CYS 60 1.631 2.835 -3.050
179 HA CYS 60 HA CYS 60 -0.739 2.518 -1.366
180 HB2 CYS 60 HB2 CYS 60 1.642 1.259 -1.234
181 HB3 CYS 60 HB1 CYS 60 1.960 2.603 -0.143
182 H HIS 61 H HIS 61 -0.454 5.019 -2.600
183 HA HIS 61 HA HIS 61 -0.213 6.708 -0.231
184 HB2 HIS 61 HB1 HIS 61 1.530 6.837 -2.611
185 HB3 HIS 61 HB2 HIS 61 0.869 8.382 -2.084
186 HD1 HIS 61 HD1 HIS 61 1.443 6.066 0.687
187 HD2 HIS 61 HD2 HIS 61 3.633 8.930 -1.378
188 HE1 HIS 61 HE1 HIS 61 3.429 6.572 2.144
189 HE2 HIS 61 HE2 HIS 61 4.784 8.244 0.835
190 H VAL 62 H VAL 62 -1.029 6.594 -3.688
191 HA VAL 62 HA VAL 62 -2.837 8.814 -3.508
192 HB VAL 62 HB VAL 62 -1.662 8.302 -5.604
193 HG11 VAL 62 HG11 VAL 62 -3.400 5.839 -5.684
194 HG12 VAL 62 HG21 VAL 62 -1.654 5.868 -5.440
195 HG13 VAL 62 HG13 VAL 62 -2.338 6.397 -6.977
196 HG21 VAL 62 HG12 VAL 62 -4.187 9.211 -5.336
197 HG22 VAL 62 HG22 VAL 62 -4.457 7.840 -6.412
198 HG23 VAL 62 HG23 VAL 62 -3.335 9.119 -6.877
199 H MET 63 H MET 63 -3.142 5.297 -3.579
200 HA MET 63 HA MET 63 -6.038 5.435 -3.488
201 HB2 MET 63 HB1 MET 63 -4.071 3.152 -3.520
202 HB3 MET 63 HB2 MET 63 -5.796 2.901 -3.287
203 HG2 MET 63 HG1 MET 63 -4.494 4.172 -5.684
204 HG3 MET 63 HG2 MET 63 -5.164 2.544 -5.599
205 HE1 MET 63 HE1 MET 63 -6.745 3.754 -8.048
206 HE2 MET 63 HE2 MET 63 -5.551 4.950 -7.544
207 HE3 MET 63 HE3 MET 63 -7.243 5.414 -7.724
208 H TYR 64 H TYR 64 -3.548 3.906 -1.436
209 HA TYR 64 HA TYR 64 -5.385 3.849 0.804
210 HB2 TYR 64 HB2 TYR 64 -2.574 2.849 0.385
211 HB3 TYR 64 HB1 TYR 64 -3.335 2.836 1.973
212 HD1 TYR 64 HD1 TYR 64 -3.341 1.360 -1.380
213 HD2 TYR 64 HD2 TYR 64 -5.156 1.309 2.468
214 HE1 TYR 64 HE1 TYR 64 -4.405 -0.791 -1.916
215 HE2 TYR 64 HE2 TYR 64 -6.224 -0.843 1.943
216 HH TYR 64 HH TYR 64 -5.947 -2.722 0.455
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 1.201 -15.877 -8.517
2 H2 LEU 1 H2 LEU 1 1.905 -17.302 -7.868
3 H3 LEU 1 H3 LEU 1 2.856 -16.222 -8.804
4 HA LEU 1 HA LEU 1 3.411 -15.896 -6.578
5 HB2 LEU 1 HB1 LEU 1 1.586 -13.806 -7.755
6 HB3 LEU 1 HB2 LEU 1 2.528 -13.521 -6.304
7 HG LEU 1 HG LEU 1 3.974 -14.464 -8.729
8 HD11 LEU 1 HD11 LEU 1 2.944 -12.827 -9.918
9 HD12 LEU 1 HD12 LEU 1 4.186 -11.848 -9.134
10 HD13 LEU 1 HD13 LEU 1 2.547 -11.879 -8.485
11 HD21 LEU 1 HD21 LEU 1 5.317 -14.205 -6.822
12 HD22 LEU 1 HD22 LEU 1 4.546 -12.684 -6.379
13 HD23 LEU 1 HD23 LEU 1 5.609 -12.757 -7.784
14 HA PRO 2 HA PRO 2 0.743 -16.985 -3.249
15 HB2 PRO 2 HB2 PRO 2 1.666 -14.474 -1.932
16 HB3 PRO 2 HB1 PRO 2 1.662 -16.131 -1.317
17 HG2 PRO 2 HG2 PRO 2 3.927 -14.997 -2.132
18 HG3 PRO 2 HG1 PRO 2 3.592 -16.705 -2.471
19 HD2 PRO 2 HD2 PRO 2 3.468 -14.349 -4.298
20 HD3 PRO 2 HD1 PRO 2 3.965 -16.018 -4.639
21 H SER 3 H SER 3 0.804 -13.437 -3.675
22 HA SER 3 HA SER 3 -1.964 -13.317 -4.348
23 HB2 SER 3 HB1 SER 3 -2.368 -11.760 -2.236
24 HB3 SER 3 HB2 SER 3 -2.617 -13.503 -2.147
25 HG SER 3 HG SER 3 -0.175 -12.231 -1.471
26 H ASP 4 H ASP 4 -2.336 -11.524 -5.503
27 HA ASP 4 HA ASP 4 -0.261 -9.444 -5.481
28 HB2 ASP 4 HB1 ASP 4 -1.064 -10.833 -7.606
29 HB3 ASP 4 HB2 ASP 4 -2.303 -9.582 -7.649
30 H ASP 5 H ASP 5 -2.314 -9.505 -3.491
31 HA ASP 5 HA ASP 5 -4.233 -7.460 -4.245
32 HB2 ASP 5 HB1 ASP 5 -3.791 -9.105 -1.763
33 HB3 ASP 5 HB2 ASP 5 -4.891 -7.731 -1.764
34 H LEU 6 H LEU 6 -4.375 -5.410 -3.301
35 HA LEU 6 HA LEU 6 -1.812 -4.306 -2.499
36 HB2 LEU 6 HB1 LEU 6 -4.449 -3.147 -3.323
37 HB3 LEU 6 HB2 LEU 6 -3.265 -2.141 -2.509
38 HG LEU 6 HG LEU 6 -3.159 -1.893 -4.946
39 HD11 LEU 6 HD11 LEU 6 -1.139 -1.609 -3.546
40 HD12 LEU 6 HD12 LEU 6 -0.777 -2.135 -5.190
41 HD13 LEU 6 HD13 LEU 6 -0.722 -3.294 -3.860
42 HD21 LEU 6 HD21 LEU 6 -2.663 -3.635 -6.416
43 HD22 LEU 6 HD22 LEU 6 -3.853 -4.335 -5.318
44 HD23 LEU 6 HD23 LEU 6 -2.140 -4.708 -5.117
45 H GLU 7 H GLU 7 -4.944 -5.013 -1.120
46 HA GLU 7 HA GLU 7 -4.722 -3.465 1.224
47 HB2 GLU 7 HB1 GLU 7 -6.412 -5.116 2.138
48 HB3 GLU 7 HB2 GLU 7 -6.873 -4.288 0.658
49 HG2 GLU 7 HG1 GLU 7 -6.932 -6.181 -0.532
50 HG3 GLU 7 HG2 GLU 7 -5.492 -6.836 0.243
51 H PHE 8 H PHE 8 -3.487 -6.610 0.340
52 HA PHE 8 HA PHE 8 -2.712 -7.301 3.030
53 HB2 PHE 8 HB2 PHE 8 -3.338 -8.991 1.276
54 HB3 PHE 8 HB1 PHE 8 -1.836 -8.602 0.445
55 HD1 PHE 8 HD1 PHE 8 0.187 -9.590 1.086
56 HD2 PHE 8 HD2 PHE 8 -3.222 -9.926 3.612
57 HE1 PHE 8 HE1 PHE 8 1.381 -11.236 2.472
58 HE2 PHE 8 HE2 PHE 8 -2.034 -11.573 5.002
59 HZ PHE 8 HZ PHE 8 0.269 -12.228 4.433
60 H TRP 9 H TRP 9 -1.143 -6.069 0.121
61 HA TRP 9 HA TRP 9 1.493 -6.148 1.241
62 HB2 TRP 9 HB2 TRP 9 0.550 -5.976 -1.298
63 HB3 TRP 9 HB1 TRP 9 0.971 -4.292 -0.999
64 HD1 TRP 9 HD1 TRP 9 2.464 -7.452 -2.140
65 HE1 TRP 9 HE1 TRP 9 5.031 -7.283 -2.193
66 HE3 TRP 9 HE3 TRP 9 3.051 -3.147 0.555
67 HZ2 TRP 9 HZ2 TRP 9 7.041 -5.554 -1.222
68 HZ3 TRP 9 HZ3 TRP 9 5.330 -2.304 0.948
69 HH2 TRP 9 HH2 TRP 9 7.282 -3.484 0.078
70 H CYS 10 H CYS 10 -0.870 -3.572 0.602
71 HA CYS 10 HA CYS 10 0.770 -1.574 1.875
72 HB2 CYS 10 HB2 CYS 10 -2.141 -1.301 1.133
73 HB3 CYS 10 HB1 CYS 10 -0.944 -0.022 1.311
74 H HIS 11 H HIS 11 0.744 -3.224 3.808
75 HA HIS 11 HA HIS 11 -0.609 -1.967 5.930
76 HB2 HIS 11 HB1 HIS 11 -1.965 -4.272 4.673
77 HB3 HIS 11 HB2 HIS 11 -1.844 -4.335 6.428
78 HD1 HIS 11 HD1 HIS 11 -2.673 -1.906 7.576
79 HD2 HIS 11 HD2 HIS 11 -4.182 -2.973 3.855
80 HE1 HIS 11 HE1 HIS 11 -4.771 -0.549 7.287
81 HE2 HIS 11 HE2 HIS 11 -5.619 -1.149 4.991
82 H VAL 12 H VAL 12 0.564 -5.181 4.935
83 HA VAL 12 HA VAL 12 1.669 -5.796 7.485
84 HB VAL 12 HB VAL 12 1.013 -7.554 5.900
85 HG11 VAL 12 HG11 VAL 12 3.440 -7.290 4.260
86 HG12 VAL 12 HG21 VAL 12 2.204 -6.064 3.985
87 HG13 VAL 12 HG13 VAL 12 1.806 -7.772 3.805
88 HG21 VAL 12 HG12 VAL 12 3.164 -8.904 6.044
89 HG22 VAL 12 HG22 VAL 12 2.520 -8.273 7.560
90 HG23 VAL 12 HG23 VAL 12 3.886 -7.474 6.781
91 H MET 13 H MET 13 2.879 -4.242 4.599
92 HA MET 13 HA MET 13 5.583 -4.150 5.730
93 HB2 MET 13 HB1 MET 13 4.595 -3.393 2.975
94 HB3 MET 13 HB2 MET 13 6.272 -3.344 3.502
95 HG2 MET 13 HG1 MET 13 4.790 -5.905 3.752
96 HG3 MET 13 HG2 MET 13 5.303 -5.380 2.150
97 HE1 MET 13 HE1 MET 13 7.512 -7.005 5.629
98 HE2 MET 13 HE2 MET 13 6.928 -8.129 4.401
99 HE3 MET 13 HE3 MET 13 5.809 -7.005 5.172
100 H TYR 14 H TYR 14 3.039 -2.041 4.446
101 HA TYR 14 HA TYR 14 4.469 0.313 5.417
102 HB2 TYR 14 HB2 TYR 14 2.108 -0.107 3.611
103 HB3 TYR 14 HB1 TYR 14 2.398 1.469 4.341
104 HD1 TYR 14 HD1 TYR 14 3.626 -1.004 1.932
105 HD2 TYR 14 HD2 TYR 14 4.291 2.825 3.661
106 HE1 TYR 14 HE1 TYR 14 5.224 -0.478 0.138
107 HE2 TYR 14 HE2 TYR 14 5.890 3.363 1.872
108 HH TYR 14 HH TYR 14 6.371 2.654 -0.443
109 H1 LEU 51 H1 LEU 51 15.127 -1.296 -10.976
110 H2 LEU 51 H2 LEU 51 14.218 -2.297 -9.919
111 H3 LEU 51 H3 LEU 51 15.225 -1.061 -9.281
112 HA LEU 51 HA LEU 51 13.135 -0.194 -9.137
113 HB2 LEU 51 HB1 LEU 51 14.755 0.673 -11.479
114 HB3 LEU 51 HB2 LEU 51 13.157 1.374 -11.294
115 HG LEU 51 HG LEU 51 14.844 2.821 -10.312
116 HD11 LEU 51 HD11 LEU 51 13.825 3.187 -8.193
117 HD12 LEU 51 HD12 LEU 51 13.273 1.514 -8.102
118 HD13 LEU 51 HD13 LEU 51 12.568 2.610 -9.289
119 HD21 LEU 51 HD21 LEU 51 15.443 0.672 -8.303
120 HD22 LEU 51 HD22 LEU 51 16.313 2.176 -8.603
121 HD23 LEU 51 HD23 LEU 51 16.391 0.863 -9.778
122 HA PRO 52 HA PRO 52 10.623 -2.910 -11.916
123 HB2 PRO 52 HB2 PRO 52 8.725 -3.470 -10.060
124 HB3 PRO 52 HB1 PRO 52 10.236 -4.378 -10.190
125 HG2 PRO 52 HG2 PRO 52 9.510 -2.168 -8.305
126 HG3 PRO 52 HG1 PRO 52 10.365 -3.687 -7.973
127 HD2 PRO 52 HD2 PRO 52 11.655 -1.326 -8.279
128 HD3 PRO 52 HD1 PRO 52 12.372 -2.875 -8.763
129 H SER 53 H SER 53 8.195 -2.767 -12.338
130 HA SER 53 HA SER 53 7.516 0.036 -12.622
131 HB2 SER 53 HB1 SER 53 7.183 -2.047 -14.298
132 HB3 SER 53 HB2 SER 53 5.605 -2.054 -13.511
133 HG SER 53 HG SER 53 5.260 0.022 -14.203
134 H ASP 54 H ASP 54 5.961 -2.868 -11.265
135 HA ASP 54 HA ASP 54 3.795 -1.443 -10.108
136 HB2 ASP 54 HB1 ASP 54 3.360 -3.556 -8.881
137 HB3 ASP 54 HB2 ASP 54 3.583 -3.810 -10.610
138 H ASP 55 H ASP 55 4.938 0.285 -9.037
139 HA ASP 55 HA ASP 55 6.627 -0.332 -6.785
140 HB2 ASP 55 HB1 ASP 55 5.605 2.176 -8.058
141 HB3 ASP 55 HB2 ASP 55 6.249 2.248 -6.421
142 H LEU 56 H LEU 56 6.154 -0.021 -4.608
143 HA LEU 56 HA LEU 56 3.325 -0.274 -3.952
144 HB2 LEU 56 HB1 LEU 56 5.865 -0.722 -2.402
145 HB3 LEU 56 HB2 LEU 56 4.295 -0.706 -1.620
146 HG LEU 56 HG LEU 56 5.116 -2.987 -2.127
147 HD11 LEU 56 HD11 LEU 56 2.741 -2.613 -1.894
148 HD12 LEU 56 HD12 LEU 56 3.034 -3.791 -3.173
149 HD13 LEU 56 HD13 LEU 56 2.622 -2.126 -3.584
150 HD21 LEU 56 HD21 LEU 56 4.621 -2.351 -5.021
151 HD22 LEU 56 HD22 LEU 56 5.376 -3.783 -4.319
152 HD23 LEU 56 HD23 LEU 56 6.224 -2.238 -4.293
153 H GLU 57 H GLU 57 6.038 1.891 -3.447
154 HA GLU 57 HA GLU 57 4.891 3.528 -1.468
155 HB2 GLU 57 HB1 GLU 57 6.554 5.210 -2.181
156 HB3 GLU 57 HB2 GLU 57 7.265 3.618 -1.952
157 HG2 GLU 57 HG1 GLU 57 6.668 3.521 -4.583
158 HG3 GLU 57 HG2 GLU 57 6.997 5.242 -4.383
159 H PHE 58 H PHE 58 4.607 3.502 -4.962
160 HA PHE 58 HA PHE 58 3.168 6.007 -5.040
161 HB2 PHE 58 HB2 PHE 58 4.670 5.236 -6.892
162 HB3 PHE 58 HB1 PHE 58 3.507 3.963 -7.242
163 HD1 PHE 58 HD1 PHE 58 1.273 4.532 -8.109
164 HD2 PHE 58 HD2 PHE 58 4.291 7.484 -7.565
165 HE1 PHE 58 HE1 PHE 58 0.025 6.072 -9.565
166 HE2 PHE 58 HE2 PHE 58 3.048 9.029 -9.022
167 HZ PHE 58 HZ PHE 58 0.911 8.323 -10.023
168 H TRP 59 H TRP 59 2.443 2.585 -5.031
169 HA TRP 59 HA TRP 59 -0.337 2.949 -5.694
170 HB2 TRP 59 HB2 TRP 59 1.346 0.829 -5.891
171 HB3 TRP 59 HB1 TRP 59 0.503 0.428 -4.397
172 HD1 TRP 59 HD1 TRP 59 0.217 -0.074 -7.993
173 HE1 TRP 59 HE1 TRP 59 -2.167 -0.779 -8.655
174 HE3 TRP 59 HE3 TRP 59 -2.216 1.123 -3.659
175 HZ2 TRP 59 HZ2 TRP 59 -4.740 -0.822 -7.493
176 HZ3 TRP 59 HZ3 TRP 59 -4.640 0.719 -3.516
177 HH2 TRP 59 HH2 TRP 59 -5.874 -0.233 -5.395
178 H CYS 60 H CYS 60 1.363 1.782 -2.780
179 HA CYS 60 HA CYS 60 -0.972 2.010 -1.147
180 HB2 CYS 60 HB2 CYS 60 1.877 1.800 -0.173
181 HB3 CYS 60 HB1 CYS 60 0.411 1.295 0.660
182 H HIS 61 H HIS 61 -1.288 4.323 -1.926
183 HA HIS 61 HA HIS 61 -0.822 6.086 0.203
184 HB2 HIS 61 HB1 HIS 61 1.495 5.929 -0.975
185 HB3 HIS 61 HB2 HIS 61 0.753 6.947 -2.204
186 HD1 HIS 61 HD1 HIS 61 2.857 7.314 0.535
187 HD2 HIS 61 HD2 HIS 61 -0.610 9.280 -0.639
188 HE1 HIS 61 HE1 HIS 61 2.904 9.528 1.726
189 HE2 HIS 61 HE2 HIS 61 0.840 10.735 0.931
190 H VAL 62 H VAL 62 -0.872 6.441 -3.349
191 HA VAL 62 HA VAL 62 -2.709 8.586 -3.327
192 HB VAL 62 HB VAL 62 -1.199 8.145 -5.221
193 HG11 VAL 62 HG11 VAL 62 -2.977 6.006 -6.261
194 HG12 VAL 62 HG21 VAL 62 -1.792 5.574 -5.025
195 HG13 VAL 62 HG13 VAL 62 -1.260 6.292 -6.545
196 HG21 VAL 62 HG12 VAL 62 -3.273 8.100 -6.973
197 HG22 VAL 62 HG22 VAL 62 -2.743 9.529 -6.088
198 HG23 VAL 62 HG23 VAL 62 -4.092 8.568 -5.484
199 H MET 63 H MET 63 -3.106 5.104 -3.522
200 HA MET 63 HA MET 63 -5.974 5.361 -3.972
201 HB2 MET 63 HB1 MET 63 -4.191 2.933 -3.725
202 HB3 MET 63 HB2 MET 63 -5.921 2.866 -4.025
203 HG2 MET 63 HG1 MET 63 -4.279 4.512 -5.857
204 HG3 MET 63 HG2 MET 63 -4.133 2.759 -5.974
205 HE1 MET 63 HE1 MET 63 -7.142 5.341 -7.892
206 HE2 MET 63 HE2 MET 63 -5.567 5.706 -7.189
207 HE3 MET 63 HE3 MET 63 -7.011 5.731 -6.177
208 H TYR 64 H TYR 64 -3.723 4.193 -1.502
209 HA TYR 64 HA TYR 64 -5.962 3.833 0.357
210 HB2 TYR 64 HB2 TYR 64 -3.136 2.829 0.285
211 HB3 TYR 64 HB1 TYR 64 -4.009 2.884 1.813
212 HD1 TYR 64 HD1 TYR 64 -5.877 1.395 2.233
213 HD2 TYR 64 HD2 TYR 64 -3.808 1.295 -1.484
214 HE1 TYR 64 HE1 TYR 64 -6.940 -0.757 1.706
215 HE2 TYR 64 HE2 TYR 64 -4.866 -0.858 -2.021
216 HH TYR 64 HH TYR 64 -7.515 -2.028 -0.536
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 3.398 -17.673 -9.080
2 H2 LEU 1 H2 LEU 1 2.309 -16.364 -8.866
3 H3 LEU 1 H3 LEU 1 2.049 -17.844 -8.038
4 HA LEU 1 HA LEU 1 4.280 -17.465 -7.002
5 HB2 LEU 1 HB1 LEU 1 3.739 -14.926 -8.457
6 HB3 LEU 1 HB2 LEU 1 4.488 -14.810 -6.877
7 HG LEU 1 HG LEU 1 6.129 -16.621 -7.917
8 HD11 LEU 1 HD11 LEU 1 5.642 -15.019 -10.375
9 HD12 LEU 1 HD12 LEU 1 4.623 -16.424 -10.062
10 HD13 LEU 1 HD13 LEU 1 6.372 -16.614 -10.191
11 HD21 LEU 1 HD21 LEU 1 6.594 -13.848 -8.880
12 HD22 LEU 1 HD22 LEU 1 7.678 -14.949 -8.029
13 HD23 LEU 1 HD23 LEU 1 6.404 -14.107 -7.145
14 HA PRO 2 HA PRO 2 1.729 -16.630 -3.506
15 HB2 PRO 2 HB2 PRO 2 3.457 -15.503 -1.742
16 HB3 PRO 2 HB1 PRO 2 3.501 -17.218 -2.164
17 HG2 PRO 2 HG2 PRO 2 5.190 -14.971 -3.192
18 HG3 PRO 2 HG1 PRO 2 5.677 -16.608 -2.713
19 HD2 PRO 2 HD2 PRO 2 5.339 -15.890 -5.300
20 HD3 PRO 2 HD1 PRO 2 5.002 -17.531 -4.714
21 H SER 3 H SER 3 1.497 -14.733 -1.711
22 HA SER 3 HA SER 3 0.677 -12.655 -1.293
23 HB2 SER 3 HB1 SER 3 2.999 -11.972 -1.830
24 HB3 SER 3 HB2 SER 3 2.537 -11.794 -3.523
25 HG SER 3 HG SER 3 2.111 -9.821 -2.899
26 H ASP 4 H ASP 4 -0.795 -11.031 -2.083
27 HA ASP 4 HA ASP 4 -1.663 -10.843 -4.743
28 HB2 ASP 4 HB1 ASP 4 -2.417 -13.238 -3.945
29 HB3 ASP 4 HB2 ASP 4 -3.710 -12.340 -3.154
30 H ASP 5 H ASP 5 -3.690 -9.593 -4.949
31 HA ASP 5 HA ASP 5 -4.975 -7.794 -4.421
32 HB2 ASP 5 HB1 ASP 5 -4.841 -9.095 -1.697
33 HB3 ASP 5 HB2 ASP 5 -5.847 -7.693 -2.052
34 H LEU 6 H LEU 6 -5.091 -5.851 -2.774
35 HA LEU 6 HA LEU 6 -2.318 -4.937 -2.411
36 HB2 LEU 6 HB1 LEU 6 -4.861 -3.574 -3.151
37 HB3 LEU 6 HB2 LEU 6 -3.670 -2.654 -2.249
38 HG LEU 6 HG LEU 6 -3.521 -2.333 -4.705
39 HD11 LEU 6 HD11 LEU 6 -0.994 -3.079 -4.775
40 HD12 LEU 6 HD12 LEU 6 -1.272 -3.361 -3.056
41 HD13 LEU 6 HD13 LEU 6 -1.535 -1.757 -3.741
42 HD21 LEU 6 HD21 LEU 6 -2.588 -5.199 -4.747
43 HD22 LEU 6 HD22 LEU 6 -2.690 -4.095 -6.119
44 HD23 LEU 6 HD23 LEU 6 -4.163 -4.646 -5.318
45 H GLU 7 H GLU 7 -5.390 -5.382 -0.813
46 HA GLU 7 HA GLU 7 -4.955 -3.872 1.500
47 HB2 GLU 7 HB1 GLU 7 -6.577 -5.492 2.562
48 HB3 GLU 7 HB2 GLU 7 -7.145 -4.705 1.096
49 HG2 GLU 7 HG1 GLU 7 -7.287 -6.630 -0.035
50 HG3 GLU 7 HG2 GLU 7 -5.792 -7.264 0.654
51 H PHE 8 H PHE 8 -3.791 -7.029 0.559
52 HA PHE 8 HA PHE 8 -2.823 -7.701 3.188
53 HB2 PHE 8 HB2 PHE 8 -3.550 -9.420 1.534
54 HB3 PHE 8 HB1 PHE 8 -2.166 -8.994 0.534
55 HD1 PHE 8 HD1 PHE 8 0.160 -9.150 1.698
56 HD2 PHE 8 HD2 PHE 8 -3.352 -11.116 3.080
57 HE1 PHE 8 HE1 PHE 8 1.551 -10.755 2.939
58 HE2 PHE 8 HE2 PHE 8 -1.967 -12.724 4.326
59 HZ PHE 8 HZ PHE 8 0.488 -12.544 4.256
60 H TRP 9 H TRP 9 -1.531 -6.303 0.246
61 HA TRP 9 HA TRP 9 1.202 -6.399 1.179
62 HB2 TRP 9 HB2 TRP 9 0.134 -6.319 -1.303
63 HB3 TRP 9 HB1 TRP 9 0.485 -4.609 -1.072
64 HD1 TRP 9 HD1 TRP 9 2.060 -7.669 -2.297
65 HE1 TRP 9 HE1 TRP 9 4.614 -7.399 -2.464
66 HE3 TRP 9 HE3 TRP 9 2.604 -3.397 0.458
67 HZ2 TRP 9 HZ2 TRP 9 6.597 -5.610 -1.547
68 HZ3 TRP 9 HZ3 TRP 9 4.864 -2.472 0.766
69 HH2 TRP 9 HH2 TRP 9 6.818 -3.559 -0.217
70 H CYS 10 H CYS 10 -0.967 -3.713 0.263
71 HA CYS 10 HA CYS 10 0.633 -1.767 1.598
72 HB2 CYS 10 HB2 CYS 10 -0.750 -1.182 -0.339
73 HB3 CYS 10 HB1 CYS 10 -2.206 -1.585 0.566
74 H HIS 11 H HIS 11 0.649 -3.087 3.652
75 HA HIS 11 HA HIS 11 -0.867 -1.793 5.623
76 HB2 HIS 11 HB1 HIS 11 -2.713 -3.162 4.731
77 HB3 HIS 11 HB2 HIS 11 -1.774 -4.620 5.036
78 HD1 HIS 11 HD1 HIS 11 -2.818 -5.761 6.962
79 HD2 HIS 11 HD2 HIS 11 -2.641 -1.646 7.515
80 HE1 HIS 11 HE1 HIS 11 -3.710 -5.354 9.278
81 HE2 HIS 11 HE2 HIS 11 -3.512 -2.867 9.623
82 H VAL 12 H VAL 12 0.431 -5.060 5.011
83 HA VAL 12 HA VAL 12 1.530 -5.365 7.599
84 HB VAL 12 HB VAL 12 1.030 -7.280 6.138
85 HG11 VAL 12 HG11 VAL 12 1.997 -6.013 4.086
86 HG12 VAL 12 HG21 VAL 12 2.150 -7.768 4.176
87 HG13 VAL 12 HG13 VAL 12 3.524 -6.740 4.582
88 HG21 VAL 12 HG12 VAL 12 3.610 -6.865 7.480
89 HG22 VAL 12 HG22 VAL 12 3.564 -8.227 6.359
90 HG23 VAL 12 HG23 VAL 12 2.409 -8.140 7.691
91 H MET 13 H MET 13 2.843 -4.178 4.552
92 HA MET 13 HA MET 13 5.495 -3.850 5.688
93 HB2 MET 13 HB1 MET 13 4.356 -3.170 2.974
94 HB3 MET 13 HB2 MET 13 6.029 -2.888 3.435
95 HG2 MET 13 HG1 MET 13 4.697 -5.585 3.445
96 HG3 MET 13 HG2 MET 13 5.670 -4.953 2.118
97 HE1 MET 13 HE1 MET 13 8.915 -5.261 2.594
98 HE2 MET 13 HE2 MET 13 7.484 -5.718 1.670
99 HE3 MET 13 HE3 MET 13 8.352 -6.933 2.607
100 H TYR 14 H TYR 14 3.260 -1.630 4.008
101 HA TYR 14 HA TYR 14 4.446 0.611 5.446
102 HB2 TYR 14 HB2 TYR 14 2.405 0.541 3.215
103 HB3 TYR 14 HB1 TYR 14 3.080 2.007 3.916
104 HD1 TYR 14 HD1 TYR 14 3.549 -0.638 1.521
105 HD2 TYR 14 HD2 TYR 14 5.553 2.440 3.668
106 HE1 TYR 14 HE1 TYR 14 5.410 -0.739 -0.082
107 HE2 TYR 14 HE2 TYR 14 7.419 2.347 2.070
108 HH TYR 14 HH TYR 14 7.417 1.372 -0.708
109 H1 LEU 51 H1 LEU 51 2.778 -11.211 -9.149
110 H2 LEU 51 H2 LEU 51 1.602 -10.376 -10.080
111 H3 LEU 51 H3 LEU 51 1.968 -9.853 -8.486
112 HA LEU 51 HA LEU 51 4.112 -9.194 -9.105
113 HB2 LEU 51 HB1 LEU 51 4.006 -11.177 -10.889
114 HB3 LEU 51 HB2 LEU 51 3.608 -9.850 -11.962
115 HG LEU 51 HG LEU 51 6.106 -10.041 -10.275
116 HD11 LEU 51 HD11 LEU 51 6.155 -10.053 -13.240
117 HD12 LEU 51 HD12 LEU 51 5.665 -11.536 -12.422
118 HD13 LEU 51 HD13 LEU 51 7.241 -10.821 -12.082
119 HD21 LEU 51 HD21 LEU 51 6.839 -8.095 -11.593
120 HD22 LEU 51 HD22 LEU 51 5.426 -7.738 -10.602
121 HD23 LEU 51 HD23 LEU 51 5.241 -8.013 -12.333
122 HA PRO 52 HA PRO 52 1.112 -5.899 -10.345
123 HB2 PRO 52 HB2 PRO 52 1.949 -4.098 -8.496
124 HB3 PRO 52 HB1 PRO 52 0.751 -5.350 -8.142
125 HG2 PRO 52 HG2 PRO 52 3.684 -5.309 -7.541
126 HG3 PRO 52 HG1 PRO 52 2.338 -5.829 -6.510
127 HD2 PRO 52 HD2 PRO 52 3.902 -7.581 -7.857
128 HD3 PRO 52 HD1 PRO 52 2.183 -7.888 -7.534
129 H SER 53 H SER 53 1.866 -3.335 -10.343
130 HA SER 53 HA SER 53 4.485 -3.235 -11.677
131 HB2 SER 53 HB1 SER 53 2.092 -1.702 -12.693
132 HB3 SER 53 HB2 SER 53 3.636 -1.975 -13.500
133 HG SER 53 HG SER 53 1.563 -3.838 -13.008
134 H ASP 54 H ASP 54 5.024 -0.792 -12.124
135 HA ASP 54 HA ASP 54 5.631 1.208 -11.231
136 HB2 ASP 54 HB1 ASP 54 2.936 1.206 -11.152
137 HB3 ASP 54 HB2 ASP 54 3.278 1.366 -9.432
138 H ASP 55 H ASP 55 5.623 2.396 -8.875
139 HA ASP 55 HA ASP 55 7.029 0.491 -7.164
140 HB2 ASP 55 HB1 ASP 55 6.906 3.514 -7.081
141 HB3 ASP 55 HB2 ASP 55 7.868 2.513 -5.998
142 H LEU 56 H LEU 56 6.502 0.105 -5.037
143 HA LEU 56 HA LEU 56 3.797 0.189 -4.318
144 HB2 LEU 56 HB1 LEU 56 6.339 -0.429 -2.892
145 HB3 LEU 56 HB2 LEU 56 4.890 -0.193 -1.933
146 HG LEU 56 HG LEU 56 5.344 -2.571 -2.448
147 HD11 LEU 56 HD11 LEU 56 2.986 -2.848 -3.677
148 HD12 LEU 56 HD12 LEU 56 2.854 -1.160 -3.184
149 HD13 LEU 56 HD13 LEU 56 3.138 -2.413 -1.975
150 HD21 LEU 56 HD21 LEU 56 6.351 -2.455 -4.595
151 HD22 LEU 56 HD22 LEU 56 4.953 -1.626 -5.279
152 HD23 LEU 56 HD23 LEU 56 4.826 -3.317 -4.794
153 H GLU 57 H GLU 57 6.418 2.424 -3.737
154 HA GLU 57 HA GLU 57 5.302 3.926 -1.656
155 HB2 GLU 57 HB1 GLU 57 6.833 5.698 -2.329
156 HB3 GLU 57 HB2 GLU 57 7.642 4.138 -2.382
157 HG2 GLU 57 HG1 GLU 57 7.482 4.062 -4.766
158 HG3 GLU 57 HG2 GLU 57 6.472 5.507 -4.790
159 H PHE 58 H PHE 58 4.709 3.947 -5.099
160 HA PHE 58 HA PHE 58 3.104 6.364 -4.952
161 HB2 PHE 58 HB2 PHE 58 4.558 5.885 -6.921
162 HB3 PHE 58 HB1 PHE 58 3.536 4.503 -7.297
163 HD1 PHE 58 HD1 PHE 58 3.626 8.181 -7.055
164 HD2 PHE 58 HD2 PHE 58 1.467 4.771 -8.408
165 HE1 PHE 58 HE1 PHE 58 2.135 9.645 -8.354
166 HE2 PHE 58 HE2 PHE 58 -0.027 6.230 -9.711
167 HZ PHE 58 HZ PHE 58 0.307 8.669 -9.685
168 H TRP 59 H TRP 59 2.678 2.891 -5.249
169 HA TRP 59 HA TRP 59 -0.126 3.000 -5.776
170 HB2 TRP 59 HB2 TRP 59 1.773 1.049 -5.974
171 HB3 TRP 59 HB1 TRP 59 0.921 0.553 -4.515
172 HD1 TRP 59 HD1 TRP 59 0.816 0.001 -8.089
173 HE1 TRP 59 HE1 TRP 59 -1.486 -0.859 -8.854
174 HE3 TRP 59 HE3 TRP 59 -1.903 1.121 -3.906
175 HZ2 TRP 59 HZ2 TRP 59 -4.107 -1.039 -7.821
176 HZ3 TRP 59 HZ3 TRP 59 -4.300 0.573 -3.877
177 HH2 TRP 59 HH2 TRP 59 -5.379 -0.485 -5.795
178 H CYS 60 H CYS 60 1.577 1.693 -2.926
179 HA CYS 60 HA CYS 60 -0.741 1.884 -1.281
180 HB2 CYS 60 HB2 CYS 60 0.986 0.191 -0.879
181 HB3 CYS 60 HB1 CYS 60 2.156 1.455 -0.523
182 H HIS 61 H HIS 61 -1.081 4.222 -1.866
183 HA HIS 61 HA HIS 61 -0.535 5.854 0.349
184 HB2 HIS 61 HB1 HIS 61 1.743 5.888 -0.668
185 HB3 HIS 61 HB2 HIS 61 1.047 6.611 -2.115
186 HD1 HIS 61 HD1 HIS 61 1.944 8.933 -2.065
187 HD2 HIS 61 HD2 HIS 61 0.401 7.768 1.613
188 HE1 HIS 61 HE1 HIS 61 2.020 10.991 -0.621
189 HE2 HIS 61 HE2 HIS 61 1.161 10.239 1.624
190 H VAL 62 H VAL 62 -0.892 6.194 -3.184
191 HA VAL 62 HA VAL 62 -2.696 8.398 -2.949
192 HB VAL 62 HB VAL 62 -1.260 8.125 -4.922
193 HG11 VAL 62 HG11 VAL 62 -2.998 5.998 -6.041
194 HG12 VAL 62 HG21 VAL 62 -1.779 5.523 -4.859
195 HG13 VAL 62 HG13 VAL 62 -1.297 6.347 -6.342
196 HG21 VAL 62 HG12 VAL 62 -3.206 9.486 -5.198
197 HG22 VAL 62 HG22 VAL 62 -4.227 8.070 -5.446
198 HG23 VAL 62 HG23 VAL 62 -3.019 8.509 -6.655
199 H MET 63 H MET 63 -3.033 4.927 -3.419
200 HA MET 63 HA MET 63 -5.907 5.122 -3.773
201 HB2 MET 63 HB1 MET 63 -4.130 2.689 -3.517
202 HB3 MET 63 HB2 MET 63 -5.831 2.674 -3.964
203 HG2 MET 63 HG1 MET 63 -4.094 4.380 -5.614
204 HG3 MET 63 HG2 MET 63 -3.801 2.644 -5.728
205 HE1 MET 63 HE1 MET 63 -7.192 5.114 -7.344
206 HE2 MET 63 HE2 MET 63 -5.924 5.587 -6.215
207 HE3 MET 63 HE3 MET 63 -7.406 4.842 -5.615
208 H TYR 64 H TYR 64 -3.600 4.317 -1.272
209 HA TYR 64 HA TYR 64 -5.824 4.157 0.642
210 HB2 TYR 64 HB2 TYR 64 -3.406 2.338 0.604
211 HB3 TYR 64 HB1 TYR 64 -4.636 2.369 1.864
212 HD1 TYR 64 HD1 TYR 64 -3.661 0.936 -1.243
213 HD2 TYR 64 HD2 TYR 64 -7.059 1.860 1.144
214 HE1 TYR 64 HE1 TYR 64 -4.984 -0.709 -2.502
215 HE2 TYR 64 HE2 TYR 64 -8.392 0.216 -0.109
216 HH TYR 64 HH TYR 64 -7.929 -1.877 -1.472
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 -10.413 -15.703 -1.375
2 H2 LEU 1 H2 LEU 1 -10.658 -17.394 -1.532
3 H3 LEU 1 H3 LEU 1 -10.400 -16.429 -2.928
4 HA LEU 1 HA LEU 1 -8.471 -16.937 -0.763
5 HB2 LEU 1 HB1 LEU 1 -7.269 -18.114 -2.627
6 HB3 LEU 1 HB2 LEU 1 -8.742 -18.893 -2.082
7 HG LEU 1 HG LEU 1 -8.943 -17.049 -4.406
8 HD11 LEU 1 HD11 LEU 1 -6.895 -18.703 -4.565
9 HD12 LEU 1 HD12 LEU 1 -7.961 -18.421 -5.943
10 HD13 LEU 1 HD13 LEU 1 -8.166 -19.865 -4.951
11 HD21 LEU 1 HD21 LEU 1 -10.164 -19.733 -4.360
12 HD22 LEU 1 HD22 LEU 1 -10.852 -18.177 -4.827
13 HD23 LEU 1 HD23 LEU 1 -10.721 -18.606 -3.123
14 HA PRO 2 HA PRO 2 -7.351 -12.908 -2.695
15 HB2 PRO 2 HB2 PRO 2 -6.181 -11.890 -0.468
16 HB3 PRO 2 HB1 PRO 2 -7.924 -11.814 -0.756
17 HG2 PRO 2 HG2 PRO 2 -6.364 -13.729 0.936
18 HG3 PRO 2 HG1 PRO 2 -7.895 -12.908 1.296
19 HD2 PRO 2 HD2 PRO 2 -7.781 -15.484 0.464
20 HD3 PRO 2 HD1 PRO 2 -9.134 -14.408 0.062
21 H SER 3 H SER 3 -5.579 -12.876 -3.915
22 HA SER 3 HA SER 3 -3.037 -13.784 -2.750
23 HB2 SER 3 HB1 SER 3 -4.343 -15.310 -4.554
24 HB3 SER 3 HB2 SER 3 -3.425 -14.275 -5.647
25 HG SER 3 HG SER 3 -1.547 -14.879 -4.363
26 H ASP 4 H ASP 4 -4.315 -12.274 -5.722
27 HA ASP 4 HA ASP 4 -2.056 -10.404 -5.665
28 HB2 ASP 4 HB1 ASP 4 -3.799 -11.507 -7.806
29 HB3 ASP 4 HB2 ASP 4 -3.206 -9.863 -8.023
30 H ASP 5 H ASP 5 -3.001 -9.165 -3.925
31 HA ASP 5 HA ASP 5 -4.825 -7.132 -4.944
32 HB2 ASP 5 HB1 ASP 5 -5.328 -8.492 -2.291
33 HB3 ASP 5 HB2 ASP 5 -6.313 -7.244 -3.047
34 H LEU 6 H LEU 6 -4.981 -5.259 -3.400
35 HA LEU 6 HA LEU 6 -2.340 -4.806 -2.198
36 HB2 LEU 6 HB1 LEU 6 -4.440 -2.910 -3.233
37 HB3 LEU 6 HB2 LEU 6 -3.050 -2.375 -2.310
38 HG LEU 6 HG LEU 6 -2.648 -2.052 -4.675
39 HD11 LEU 6 HD11 LEU 6 -0.537 -3.169 -4.877
40 HD12 LEU 6 HD12 LEU 6 -1.019 -4.388 -3.698
41 HD13 LEU 6 HD13 LEU 6 -0.774 -2.717 -3.187
42 HD21 LEU 6 HD21 LEU 6 -2.680 -4.984 -5.190
43 HD22 LEU 6 HD22 LEU 6 -2.909 -3.639 -6.306
44 HD23 LEU 6 HD23 LEU 6 -4.204 -4.099 -5.202
45 H GLU 7 H GLU 7 -4.456 -6.275 -0.852
46 HA GLU 7 HA GLU 7 -5.235 -4.418 1.282
47 HB2 GLU 7 HB1 GLU 7 -6.744 -6.250 2.020
48 HB3 GLU 7 HB2 GLU 7 -7.075 -5.694 0.384
49 HG2 GLU 7 HG1 GLU 7 -6.140 -7.618 -0.577
50 HG3 GLU 7 HG2 GLU 7 -5.352 -8.087 0.929
51 H PHE 8 H PHE 8 -3.440 -7.373 0.655
52 HA PHE 8 HA PHE 8 -2.738 -7.662 3.463
53 HB2 PHE 8 HB2 PHE 8 -3.253 -9.604 1.858
54 HB3 PHE 8 HB1 PHE 8 -1.648 -9.316 1.194
55 HD1 PHE 8 HD1 PHE 8 -3.535 -10.922 3.750
56 HD2 PHE 8 HD2 PHE 8 0.329 -9.408 2.804
57 HE1 PHE 8 HE1 PHE 8 -2.558 -12.315 5.527
58 HE2 PHE 8 HE2 PHE 8 1.313 -10.800 4.578
59 HZ PHE 8 HZ PHE 8 -0.130 -12.256 5.942
60 H TRP 9 H TRP 9 -1.193 -6.894 0.377
61 HA TRP 9 HA TRP 9 1.446 -6.714 1.344
62 HB2 TRP 9 HB2 TRP 9 0.364 -6.645 -1.119
63 HB3 TRP 9 HB1 TRP 9 0.640 -4.922 -0.881
64 HD1 TRP 9 HD1 TRP 9 2.342 -7.927 -2.105
65 HE1 TRP 9 HE1 TRP 9 4.876 -7.531 -2.316
66 HE3 TRP 9 HE3 TRP 9 2.712 -3.589 0.574
67 HZ2 TRP 9 HZ2 TRP 9 6.780 -5.633 -1.458
68 HZ3 TRP 9 HZ3 TRP 9 4.927 -2.547 0.833
69 HH2 TRP 9 HH2 TRP 9 6.918 -3.550 -0.164
70 H CYS 10 H CYS 10 -0.882 -4.111 0.612
71 HA CYS 10 HA CYS 10 0.748 -2.166 1.988
72 HB2 CYS 10 HB2 CYS 10 -1.822 -2.086 0.454
73 HB3 CYS 10 HB1 CYS 10 -1.408 -0.739 1.508
74 H HIS 11 H HIS 11 0.598 -3.549 4.005
75 HA HIS 11 HA HIS 11 -1.003 -2.261 5.910
76 HB2 HIS 11 HB1 HIS 11 -2.572 -3.979 4.546
77 HB3 HIS 11 HB2 HIS 11 -1.950 -5.068 5.782
78 HD1 HIS 11 HD1 HIS 11 -4.039 -5.300 7.172
79 HD2 HIS 11 HD2 HIS 11 -2.969 -1.338 6.519
80 HE1 HIS 11 HE1 HIS 11 -5.542 -3.944 8.663
81 HE2 HIS 11 HE2 HIS 11 -4.816 -1.556 8.316
82 H VAL 12 H VAL 12 0.547 -5.347 5.103
83 HA VAL 12 HA VAL 12 1.347 -5.874 7.804
84 HB VAL 12 HB VAL 12 0.983 -7.702 6.203
85 HG11 VAL 12 HG11 VAL 12 2.242 -6.196 4.374
86 HG12 VAL 12 HG21 VAL 12 2.062 -7.946 4.232
87 HG13 VAL 12 HG13 VAL 12 3.566 -7.260 4.844
88 HG21 VAL 12 HG12 VAL 12 3.728 -7.418 7.397
89 HG22 VAL 12 HG22 VAL 12 3.182 -8.907 6.626
90 HG23 VAL 12 HG23 VAL 12 2.335 -8.285 8.042
91 H MET 13 H MET 13 2.812 -4.379 4.990
92 HA MET 13 HA MET 13 5.385 -4.134 6.338
93 HB2 MET 13 HB1 MET 13 4.555 -3.143 3.606
94 HB3 MET 13 HB2 MET 13 6.194 -3.216 4.236
95 HG2 MET 13 HG1 MET 13 4.555 -5.703 4.054
96 HG3 MET 13 HG2 MET 13 5.340 -5.051 2.617
97 HE1 MET 13 HE1 MET 13 6.775 -7.683 5.731
98 HE2 MET 13 HE2 MET 13 5.363 -6.629 5.819
99 HE3 MET 13 HE3 MET 13 6.886 -6.126 6.554
100 H TYR 14 H TYR 14 3.042 -1.942 4.776
101 HA TYR 14 HA TYR 14 4.197 0.319 6.200
102 HB2 TYR 14 HB2 TYR 14 1.992 0.164 4.136
103 HB3 TYR 14 HB1 TYR 14 2.584 1.661 4.851
104 HD1 TYR 14 HD1 TYR 14 5.095 2.180 4.552
105 HD2 TYR 14 HD2 TYR 14 2.999 -0.692 2.217
106 HE1 TYR 14 HE1 TYR 14 6.842 2.318 2.827
107 HE2 TYR 14 HE2 TYR 14 4.741 -0.564 0.485
108 HH TYR 14 HH TYR 14 6.614 1.599 -0.084
109 H1 LEU 51 H1 LEU 51 15.267 -4.590 -8.858
110 H2 LEU 51 H2 LEU 51 16.723 -3.692 -8.982
111 H3 LEU 51 H3 LEU 51 16.218 -4.698 -10.279
112 HA LEU 51 HA LEU 51 15.027 -2.190 -9.329
113 HB2 LEU 51 HB1 LEU 51 17.026 -2.490 -11.009
114 HB3 LEU 51 HB2 LEU 51 15.754 -2.929 -12.134
115 HG LEU 51 HG LEU 51 16.255 -0.608 -12.434
116 HD11 LEU 51 HD11 LEU 51 14.092 0.395 -12.057
117 HD12 LEU 51 HD12 LEU 51 13.692 -0.841 -10.865
118 HD13 LEU 51 HD13 LEU 51 13.888 -1.281 -12.561
119 HD21 LEU 51 HD21 LEU 51 16.214 -0.586 -9.477
120 HD22 LEU 51 HD22 LEU 51 15.612 0.854 -10.297
121 HD23 LEU 51 HD23 LEU 51 17.252 0.285 -10.605
122 HA PRO 52 HA PRO 52 11.425 -4.815 -10.561
123 HB2 PRO 52 HB2 PRO 52 9.699 -3.723 -8.778
124 HB3 PRO 52 HB1 PRO 52 10.799 -5.044 -8.361
125 HG2 PRO 52 HG2 PRO 52 11.082 -2.108 -7.845
126 HG3 PRO 52 HG1 PRO 52 11.424 -3.473 -6.763
127 HD2 PRO 52 HD2 PRO 52 13.370 -2.162 -8.117
128 HD3 PRO 52 HD1 PRO 52 13.472 -3.892 -7.735
129 H SER 53 H SER 53 9.670 -4.257 -11.827
130 HA SER 53 HA SER 53 9.768 -1.708 -13.094
131 HB2 SER 53 HB1 SER 53 7.463 -2.696 -14.031
132 HB3 SER 53 HB2 SER 53 9.031 -3.264 -14.604
133 HG SER 53 HG SER 53 7.350 -4.862 -13.847
134 H ASP 54 H ASP 54 7.517 -3.242 -10.829
135 HA ASP 54 HA ASP 54 6.060 -0.707 -10.591
136 HB2 ASP 54 HB1 ASP 54 4.340 -2.030 -9.419
137 HB3 ASP 54 HB2 ASP 54 4.680 -2.676 -11.021
138 H ASP 55 H ASP 55 5.679 0.251 -8.565
139 HA ASP 55 HA ASP 55 7.308 -0.743 -6.333
140 HB2 ASP 55 HB1 ASP 55 7.175 2.173 -7.115
141 HB3 ASP 55 HB2 ASP 55 8.181 1.447 -5.865
142 H LEU 56 H LEU 56 6.665 0.119 -4.236
143 HA LEU 56 HA LEU 56 3.774 0.577 -4.147
144 HB2 LEU 56 HB1 LEU 56 5.767 -0.411 -2.123
145 HB3 LEU 56 HB2 LEU 56 4.151 0.086 -1.659
146 HG LEU 56 HG LEU 56 4.394 -2.367 -1.945
147 HD11 LEU 56 HD11 LEU 56 2.207 -1.385 -2.146
148 HD12 LEU 56 HD12 LEU 56 2.383 -2.655 -3.357
149 HD13 LEU 56 HD13 LEU 56 2.511 -0.960 -3.831
150 HD21 LEU 56 HD21 LEU 56 4.876 -3.372 -3.975
151 HD22 LEU 56 HD22 LEU 56 5.996 -2.008 -3.946
152 HD23 LEU 56 HD23 LEU 56 4.515 -1.913 -4.899
153 H GLU 57 H GLU 57 5.642 2.701 -4.832
154 HA GLU 57 HA GLU 57 5.516 4.440 -2.476
155 HB2 GLU 57 HB1 GLU 57 6.921 5.978 -3.922
156 HB3 GLU 57 HB2 GLU 57 7.677 4.463 -3.445
157 HG2 GLU 57 HG1 GLU 57 7.354 3.527 -5.601
158 HG3 GLU 57 HG2 GLU 57 6.310 4.859 -6.091
159 H PHE 58 H PHE 58 4.395 4.173 -5.801
160 HA PHE 58 HA PHE 58 2.883 6.660 -5.544
161 HB2 PHE 58 HB2 PHE 58 4.201 6.160 -7.623
162 HB3 PHE 58 HB1 PHE 58 3.089 4.833 -7.945
163 HD1 PHE 58 HD1 PHE 58 0.967 5.217 -8.901
164 HD2 PHE 58 HD2 PHE 58 3.353 8.499 -7.622
165 HE1 PHE 58 HE1 PHE 58 -0.556 6.768 -10.054
166 HE2 PHE 58 HE2 PHE 58 1.836 10.057 -8.772
167 HZ PHE 58 HZ PHE 58 -0.122 9.192 -9.990
168 H TRP 59 H TRP 59 2.416 3.192 -5.911
169 HA TRP 59 HA TRP 59 -0.422 3.328 -6.188
170 HB2 TRP 59 HB2 TRP 59 1.390 1.389 -6.677
171 HB3 TRP 59 HB1 TRP 59 0.801 0.853 -5.106
172 HD1 TRP 59 HD1 TRP 59 0.033 0.572 -8.686
173 HE1 TRP 59 HE1 TRP 59 -2.321 -0.404 -9.046
174 HE3 TRP 59 HE3 TRP 59 -1.784 1.062 -3.932
175 HZ2 TRP 59 HZ2 TRP 59 -4.640 -0.900 -7.517
176 HZ3 TRP 59 HZ3 TRP 59 -4.079 0.313 -3.464
177 HH2 TRP 59 HH2 TRP 59 -5.477 -0.648 -5.221
178 H CYS 60 H CYS 60 1.726 2.435 -3.491
179 HA CYS 60 HA CYS 60 -0.497 2.355 -1.643
180 HB2 CYS 60 HB2 CYS 60 1.821 0.998 -1.694
181 HB3 CYS 60 HB1 CYS 60 2.297 2.323 -0.637
182 H HIS 61 H HIS 61 -0.847 4.731 -2.404
183 HA HIS 61 HA HIS 61 -0.251 6.401 -0.195
184 HB2 HIS 61 HB1 HIS 61 1.865 6.342 -1.849
185 HB3 HIS 61 HB2 HIS 61 0.926 7.602 -2.642
186 HD1 HIS 61 HD1 HIS 61 0.750 9.862 -1.465
187 HD2 HIS 61 HD2 HIS 61 2.818 7.005 0.732
188 HE1 HIS 61 HE1 HIS 61 1.836 11.121 0.422
189 HE2 HIS 61 HE2 HIS 61 3.151 9.384 1.688
190 H VAL 62 H VAL 62 -1.135 6.318 -3.624
191 HA VAL 62 HA VAL 62 -2.856 8.615 -3.398
192 HB VAL 62 HB VAL 62 -1.695 8.113 -5.507
193 HG11 VAL 62 HG11 VAL 62 -3.571 5.951 -6.225
194 HG12 VAL 62 HG21 VAL 62 -2.294 5.531 -5.083
195 HG13 VAL 62 HG13 VAL 62 -1.878 6.184 -6.667
196 HG21 VAL 62 HG12 VAL 62 -4.604 8.478 -5.282
197 HG22 VAL 62 HG22 VAL 62 -4.031 7.984 -6.875
198 HG23 VAL 62 HG23 VAL 62 -3.397 9.448 -6.126
199 H MET 63 H MET 63 -3.205 5.131 -3.329
200 HA MET 63 HA MET 63 -6.119 5.350 -3.260
201 HB2 MET 63 HB1 MET 63 -4.369 2.884 -3.236
202 HB3 MET 63 HB2 MET 63 -6.119 2.910 -3.406
203 HG2 MET 63 HG1 MET 63 -4.336 4.322 -5.353
204 HG3 MET 63 HG2 MET 63 -4.704 2.606 -5.509
205 HE1 MET 63 HE1 MET 63 -5.709 5.635 -7.384
206 HE2 MET 63 HE2 MET 63 -6.790 4.544 -8.252
207 HE3 MET 63 HE3 MET 63 -5.158 4.023 -7.836
208 H TYR 64 H TYR 64 -3.440 4.105 -1.288
209 HA TYR 64 HA TYR 64 -5.268 3.913 1.001
210 HB2 TYR 64 HB2 TYR 64 -2.554 2.704 0.471
211 HB3 TYR 64 HB1 TYR 64 -3.325 2.657 2.053
212 HD1 TYR 64 HD1 TYR 64 -5.551 1.479 2.276
213 HD2 TYR 64 HD2 TYR 64 -3.126 1.150 -1.203
214 HE1 TYR 64 HE1 TYR 64 -6.778 -0.550 1.621
215 HE2 TYR 64 HE2 TYR 64 -4.346 -0.878 -1.868
216 HH TYR 64 HH TYR 64 -6.592 -1.897 -1.451
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 7.016 -15.762 0.380
2 H2 LEU 1 H2 LEU 1 6.807 -14.615 -0.880
3 H3 LEU 1 H3 LEU 1 6.784 -16.294 -1.232
4 HA LEU 1 HA LEU 1 4.772 -16.616 -0.206
5 HB2 LEU 1 HB1 LEU 1 3.706 -14.860 1.142
6 HB3 LEU 1 HB2 LEU 1 5.257 -15.343 1.800
7 HG LEU 1 HG LEU 1 6.153 -13.278 0.459
8 HD11 LEU 1 HD11 LEU 1 4.435 -12.399 -0.735
9 HD12 LEU 1 HD12 LEU 1 4.202 -11.505 0.767
10 HD13 LEU 1 HD13 LEU 1 3.212 -12.923 0.422
11 HD21 LEU 1 HD21 LEU 1 4.748 -13.382 3.085
12 HD22 LEU 1 HD22 LEU 1 5.339 -11.832 2.484
13 HD23 LEU 1 HD23 LEU 1 6.464 -13.170 2.732
14 HA PRO 2 HA PRO 2 2.799 -14.918 -3.772
15 HB2 PRO 2 HB2 PRO 2 0.182 -15.246 -3.129
16 HB3 PRO 2 HB1 PRO 2 1.237 -16.593 -3.567
17 HG2 PRO 2 HG2 PRO 2 0.395 -15.654 -0.852
18 HG3 PRO 2 HG1 PRO 2 0.509 -17.310 -1.478
19 HD2 PRO 2 HD2 PRO 2 2.418 -16.213 0.099
20 HD3 PRO 2 HD1 PRO 2 2.790 -17.407 -1.162
21 H SER 3 H SER 3 1.446 -13.176 -4.524
22 HA SER 3 HA SER 3 0.431 -11.258 -2.622
23 HB2 SER 3 HB1 SER 3 2.905 -10.716 -4.251
24 HB3 SER 3 HB2 SER 3 1.853 -9.405 -3.722
25 HG SER 3 HG SER 3 2.297 -9.896 -1.620
26 H ASP 4 H ASP 4 -1.140 -9.980 -3.483
27 HA ASP 4 HA ASP 4 -1.385 -9.443 -6.268
28 HB2 ASP 4 HB1 ASP 4 -2.181 -11.939 -5.794
29 HB3 ASP 4 HB2 ASP 4 -3.663 -11.115 -5.318
30 H ASP 5 H ASP 5 -3.103 -9.745 -3.185
31 HA ASP 5 HA ASP 5 -4.911 -7.588 -3.825
32 HB2 ASP 5 HB1 ASP 5 -4.450 -9.073 -1.228
33 HB3 ASP 5 HB2 ASP 5 -5.749 -7.923 -1.523
34 H LEU 6 H LEU 6 -4.486 -5.505 -3.569
35 HA LEU 6 HA LEU 6 -2.050 -4.545 -2.531
36 HB2 LEU 6 HB1 LEU 6 -4.606 -3.306 -3.436
37 HB3 LEU 6 HB2 LEU 6 -3.484 -2.315 -2.522
38 HG LEU 6 HG LEU 6 -3.100 -1.945 -4.860
39 HD11 LEU 6 HD11 LEU 6 -1.156 -2.461 -3.114
40 HD12 LEU 6 HD12 LEU 6 -0.837 -2.052 -4.801
41 HD13 LEU 6 HD13 LEU 6 -0.819 -3.738 -4.283
42 HD21 LEU 6 HD21 LEU 6 -2.839 -4.941 -5.043
43 HD22 LEU 6 HD22 LEU 6 -2.366 -3.826 -6.325
44 HD23 LEU 6 HD23 LEU 6 -4.052 -3.921 -5.816
45 H GLU 7 H GLU 7 -5.195 -5.046 -1.095
46 HA GLU 7 HA GLU 7 -4.918 -3.461 1.198
47 HB2 GLU 7 HB1 GLU 7 -6.646 -4.899 2.185
48 HB3 GLU 7 HB2 GLU 7 -7.053 -4.440 0.536
49 HG2 GLU 7 HG1 GLU 7 -7.501 -6.610 0.274
50 HG3 GLU 7 HG2 GLU 7 -5.754 -6.782 0.120
51 H PHE 8 H PHE 8 -3.725 -6.666 0.432
52 HA PHE 8 HA PHE 8 -2.859 -7.207 3.129
53 HB2 PHE 8 HB2 PHE 8 -3.550 -9.034 1.624
54 HB3 PHE 8 HB1 PHE 8 -2.213 -8.648 0.546
55 HD1 PHE 8 HD1 PHE 8 -3.174 -10.143 3.736
56 HD2 PHE 8 HD2 PHE 8 0.065 -9.204 1.141
57 HE1 PHE 8 HE1 PHE 8 -1.716 -11.660 5.012
58 HE2 PHE 8 HE2 PHE 8 1.528 -10.720 2.411
59 HZ PHE 8 HZ PHE 8 0.637 -11.950 4.351
60 H TRP 9 H TRP 9 -1.363 -6.219 0.084
61 HA TRP 9 HA TRP 9 1.310 -6.293 1.036
62 HB2 TRP 9 HB2 TRP 9 0.191 -6.041 -1.423
63 HB3 TRP 9 HB1 TRP 9 0.668 -4.374 -1.119
64 HD1 TRP 9 HD1 TRP 9 1.992 -7.444 -2.561
65 HE1 TRP 9 HE1 TRP 9 4.557 -7.364 -2.748
66 HE3 TRP 9 HE3 TRP 9 2.903 -3.437 0.481
67 HZ2 TRP 9 HZ2 TRP 9 6.685 -5.808 -1.740
68 HZ3 TRP 9 HZ3 TRP 9 5.233 -2.718 0.817
69 HH2 TRP 9 HH2 TRP 9 7.083 -3.880 -0.270
70 H CYS 10 H CYS 10 -0.820 -3.514 0.343
71 HA CYS 10 HA CYS 10 0.900 -1.669 1.683
72 HB2 CYS 10 HB2 CYS 10 -1.998 -1.259 0.931
73 HB3 CYS 10 HB1 CYS 10 -0.785 -0.016 1.212
74 H HIS 11 H HIS 11 0.941 -3.121 3.663
75 HA HIS 11 HA HIS 11 -0.424 -1.867 5.766
76 HB2 HIS 11 HB1 HIS 11 -2.188 -3.466 4.550
77 HB3 HIS 11 HB2 HIS 11 -1.429 -4.663 5.596
78 HD1 HIS 11 HD1 HIS 11 -2.285 -1.061 6.439
79 HD2 HIS 11 HD2 HIS 11 -3.287 -4.934 7.565
80 HE1 HIS 11 HE1 HIS 11 -3.801 -0.811 8.429
81 HE2 HIS 11 HE2 HIS 11 -4.463 -3.164 9.040
82 H VAL 12 H VAL 12 0.670 -5.158 4.924
83 HA VAL 12 HA VAL 12 1.812 -5.735 7.421
84 HB VAL 12 HB VAL 12 1.296 -7.466 5.749
85 HG11 VAL 12 HG11 VAL 12 2.218 -7.603 3.695
86 HG12 VAL 12 HG21 VAL 12 3.789 -7.021 4.242
87 HG13 VAL 12 HG13 VAL 12 2.487 -5.875 3.932
88 HG21 VAL 12 HG12 VAL 12 3.817 -8.461 5.863
89 HG22 VAL 12 HG22 VAL 12 2.664 -8.509 7.198
90 HG23 VAL 12 HG23 VAL 12 3.880 -7.234 7.129
91 H MET 13 H MET 13 3.075 -4.085 4.600
92 HA MET 13 HA MET 13 5.685 -3.809 5.925
93 HB2 MET 13 HB1 MET 13 5.050 -3.080 3.069
94 HB3 MET 13 HB2 MET 13 6.631 -3.333 3.796
95 HG2 MET 13 HG1 MET 13 4.543 -5.438 3.283
96 HG3 MET 13 HG2 MET 13 6.039 -5.198 2.382
97 HE1 MET 13 HE1 MET 13 8.640 -6.470 3.645
98 HE2 MET 13 HE2 MET 13 7.421 -6.719 2.396
99 HE3 MET 13 HE3 MET 13 7.734 -7.981 3.589
100 H TYR 14 H TYR 14 3.023 -2.002 4.498
101 HA TYR 14 HA TYR 14 4.251 0.504 5.422
102 HB2 TYR 14 HB2 TYR 14 2.122 -0.054 3.360
103 HB3 TYR 14 HB1 TYR 14 2.454 1.566 3.964
104 HD1 TYR 14 HD1 TYR 14 4.667 2.613 3.524
105 HD2 TYR 14 HD2 TYR 14 3.551 -1.096 1.765
106 HE1 TYR 14 HE1 TYR 14 6.465 2.866 1.866
107 HE2 TYR 14 HE2 TYR 14 5.346 -0.854 0.102
108 HH TYR 14 HH TYR 14 7.078 2.078 -0.322
109 H1 LEU 51 H1 LEU 51 13.172 0.684 -11.768
110 H2 LEU 51 H2 LEU 51 12.519 -0.266 -10.497
111 H3 LEU 51 H3 LEU 51 12.833 1.402 -10.249
112 HA LEU 51 HA LEU 51 10.481 0.781 -10.601
113 HB2 LEU 51 HB1 LEU 51 11.954 2.745 -12.348
114 HB3 LEU 51 HB2 LEU 51 10.203 2.687 -12.274
115 HG LEU 51 HG LEU 51 11.688 2.950 -9.708
116 HD11 LEU 51 HD11 LEU 51 11.570 5.022 -11.854
117 HD12 LEU 51 HD12 LEU 51 12.885 4.618 -10.754
118 HD13 LEU 51 HD13 LEU 51 11.482 5.505 -10.161
119 HD21 LEU 51 HD21 LEU 51 9.721 4.493 -9.300
120 HD22 LEU 51 HD22 LEU 51 9.342 2.783 -9.516
121 HD23 LEU 51 HD23 LEU 51 9.076 3.921 -10.838
122 HA PRO 52 HA PRO 52 10.768 -2.024 -14.284
123 HB2 PRO 52 HB2 PRO 52 9.048 -3.887 -13.316
124 HB3 PRO 52 HB1 PRO 52 10.774 -3.886 -12.936
125 HG2 PRO 52 HG2 PRO 52 8.475 -2.871 -11.308
126 HG3 PRO 52 HG1 PRO 52 9.883 -3.816 -10.788
127 HD2 PRO 52 HD2 PRO 52 9.712 -1.139 -10.424
128 HD3 PRO 52 HD1 PRO 52 11.256 -1.966 -10.712
129 H SER 53 H SER 53 7.847 -1.298 -12.373
130 HA SER 53 HA SER 53 6.526 0.043 -14.455
131 HB2 SER 53 HB1 SER 53 6.524 -2.585 -15.048
132 HB3 SER 53 HB2 SER 53 5.080 -2.516 -14.037
133 HG SER 53 HG SER 53 4.143 -1.140 -15.447
134 H ASP 54 H ASP 54 5.579 -2.310 -11.942
135 HA ASP 54 HA ASP 54 3.827 -0.246 -10.794
136 HB2 ASP 54 HB1 ASP 54 3.765 -3.252 -10.449
137 HB3 ASP 54 HB2 ASP 54 2.651 -2.121 -9.688
138 H ASP 55 H ASP 55 4.111 0.470 -8.756
139 HA ASP 55 HA ASP 55 6.243 -0.795 -7.159
140 HB2 ASP 55 HB1 ASP 55 5.567 2.150 -7.145
141 HB3 ASP 55 HB2 ASP 55 6.945 1.362 -6.381
142 H LEU 56 H LEU 56 6.056 0.208 -4.782
143 HA LEU 56 HA LEU 56 3.263 -0.231 -3.957
144 HB2 LEU 56 HB1 LEU 56 5.879 -1.012 -2.733
145 HB3 LEU 56 HB2 LEU 56 4.481 -0.772 -1.700
146 HG LEU 56 HG LEU 56 4.853 -3.141 -2.332
147 HD11 LEU 56 HD11 LEU 56 2.643 -2.441 -1.685
148 HD12 LEU 56 HD12 LEU 56 2.520 -3.590 -3.016
149 HD13 LEU 56 HD13 LEU 56 2.306 -1.866 -3.318
150 HD21 LEU 56 HD21 LEU 56 4.511 -3.904 -4.559
151 HD22 LEU 56 HD22 LEU 56 5.702 -2.605 -4.630
152 HD23 LEU 56 HD23 LEU 56 4.031 -2.297 -5.103
153 H GLU 57 H GLU 57 6.166 1.691 -3.419
154 HA GLU 57 HA GLU 57 5.232 3.281 -1.313
155 HB2 GLU 57 HB1 GLU 57 6.949 4.921 -2.066
156 HB3 GLU 57 HB2 GLU 57 7.568 3.284 -1.891
157 HG2 GLU 57 HG1 GLU 57 6.874 3.257 -4.493
158 HG3 GLU 57 HG2 GLU 57 7.288 4.960 -4.289
159 H PHE 58 H PHE 58 4.767 3.517 -4.782
160 HA PHE 58 HA PHE 58 3.424 6.082 -4.559
161 HB2 PHE 58 HB2 PHE 58 4.902 5.481 -6.505
162 HB3 PHE 58 HB1 PHE 58 3.679 4.315 -6.998
163 HD1 PHE 58 HD1 PHE 58 1.586 5.033 -7.949
164 HD2 PHE 58 HD2 PHE 58 4.503 7.865 -6.690
165 HE1 PHE 58 HE1 PHE 58 0.399 6.798 -9.184
166 HE2 PHE 58 HE2 PHE 58 3.320 9.636 -7.923
167 HZ PHE 58 HZ PHE 58 1.265 9.105 -9.172
168 H TRP 59 H TRP 59 2.620 2.706 -5.194
169 HA TRP 59 HA TRP 59 -0.128 3.159 -5.751
170 HB2 TRP 59 HB2 TRP 59 1.505 1.037 -6.079
171 HB3 TRP 59 HB1 TRP 59 0.679 0.546 -4.603
172 HD1 TRP 59 HD1 TRP 59 0.318 0.396 -8.252
173 HE1 TRP 59 HE1 TRP 59 -2.069 -0.300 -8.912
174 HE3 TRP 59 HE3 TRP 59 -1.993 1.040 -3.737
175 HZ2 TRP 59 HZ2 TRP 59 -4.598 -0.545 -7.682
176 HZ3 TRP 59 HZ3 TRP 59 -4.399 0.552 -3.564
177 HH2 TRP 59 HH2 TRP 59 -5.673 -0.223 -5.496
178 H CYS 60 H CYS 60 1.572 2.003 -2.845
179 HA CYS 60 HA CYS 60 -0.806 1.978 -1.254
180 HB2 CYS 60 HB2 CYS 60 2.066 1.940 -0.309
181 HB3 CYS 60 HB1 CYS 60 0.648 1.418 0.595
182 H HIS 61 H HIS 61 -1.272 4.286 -2.019
183 HA HIS 61 HA HIS 61 -1.022 6.029 0.168
184 HB2 HIS 61 HB1 HIS 61 1.323 6.183 -0.704
185 HB3 HIS 61 HB2 HIS 61 0.673 6.846 -2.201
186 HD1 HIS 61 HD1 HIS 61 -0.857 9.122 -1.753
187 HD2 HIS 61 HD2 HIS 61 1.988 8.086 1.092
188 HE1 HIS 61 HE1 HIS 61 -0.437 11.218 -0.428
189 HE2 HIS 61 HE2 HIS 61 1.351 10.588 1.232
190 H VAL 62 H VAL 62 -1.005 6.429 -3.381
191 HA VAL 62 HA VAL 62 -2.919 8.471 -3.446
192 HB VAL 62 HB VAL 62 -1.445 7.964 -5.343
193 HG11 VAL 62 HG11 VAL 62 -2.064 5.374 -4.971
194 HG12 VAL 62 HG21 VAL 62 -1.397 6.012 -6.473
195 HG13 VAL 62 HG13 VAL 62 -3.135 5.755 -6.319
196 HG21 VAL 62 HG12 VAL 62 -3.181 8.124 -7.146
197 HG22 VAL 62 HG22 VAL 62 -3.366 9.289 -5.835
198 HG23 VAL 62 HG23 VAL 62 -4.404 7.864 -5.902
199 H MET 63 H MET 63 -3.254 4.981 -3.407
200 HA MET 63 HA MET 63 -6.152 5.201 -3.750
201 HB2 MET 63 HB1 MET 63 -4.380 2.755 -3.606
202 HB3 MET 63 HB2 MET 63 -6.110 2.742 -3.917
203 HG2 MET 63 HG1 MET 63 -4.035 4.045 -5.667
204 HG3 MET 63 HG2 MET 63 -4.786 2.475 -5.958
205 HE1 MET 63 HE1 MET 63 -6.905 2.312 -7.605
206 HE2 MET 63 HE2 MET 63 -8.317 3.217 -7.061
207 HE3 MET 63 HE3 MET 63 -7.409 2.228 -5.917
208 H TYR 64 H TYR 64 -3.708 4.233 -1.414
209 HA TYR 64 HA TYR 64 -5.824 3.767 0.575
210 HB2 TYR 64 HB2 TYR 64 -2.995 2.773 0.342
211 HB3 TYR 64 HB1 TYR 64 -3.834 2.754 1.889
212 HD1 TYR 64 HD1 TYR 64 -5.573 1.165 2.336
213 HD2 TYR 64 HD2 TYR 64 -3.796 1.373 -1.524
214 HE1 TYR 64 HE1 TYR 64 -6.627 -0.977 1.742
215 HE2 TYR 64 HE2 TYR 64 -4.847 -0.766 -2.130
216 HH TYR 64 HH TYR 64 -5.776 -2.723 -1.087
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 -1.288 -18.387 -12.710
2 H2 LEU 1 H2 LEU 1 -1.420 -16.677 -12.634
3 H3 LEU 1 H3 LEU 1 -2.550 -17.664 -11.802
4 HA LEU 1 HA LEU 1 -0.731 -18.532 -10.458
5 HB2 LEU 1 HB1 LEU 1 0.868 -17.644 -12.375
6 HB3 LEU 1 HB2 LEU 1 0.884 -16.198 -11.383
7 HG LEU 1 HG LEU 1 1.477 -18.824 -10.092
8 HD11 LEU 1 HD11 LEU 1 3.575 -17.223 -11.535
9 HD12 LEU 1 HD12 LEU 1 2.817 -18.662 -12.217
10 HD13 LEU 1 HD13 LEU 1 3.755 -18.782 -10.730
11 HD21 LEU 1 HD21 LEU 1 1.270 -16.872 -8.687
12 HD22 LEU 1 HD22 LEU 1 2.428 -15.992 -9.683
13 HD23 LEU 1 HD23 LEU 1 2.957 -17.384 -8.738
14 HA PRO 2 HA PRO 2 -3.242 -15.208 -8.437
15 HB2 PRO 2 HB2 PRO 2 -2.831 -17.198 -6.257
16 HB3 PRO 2 HB1 PRO 2 -4.299 -16.336 -6.731
17 HG2 PRO 2 HG2 PRO 2 -3.974 -18.902 -7.359
18 HG3 PRO 2 HG1 PRO 2 -4.733 -17.775 -8.499
19 HD2 PRO 2 HD2 PRO 2 -1.983 -18.934 -8.522
20 HD3 PRO 2 HD1 PRO 2 -3.057 -18.546 -9.881
21 H SER 3 H SER 3 -1.883 -13.536 -8.091
22 HA SER 3 HA SER 3 -0.458 -13.324 -5.679
23 HB2 SER 3 HB1 SER 3 1.108 -14.153 -8.083
24 HB3 SER 3 HB2 SER 3 1.836 -12.991 -6.975
25 HG SER 3 HG SER 3 1.636 -14.480 -5.320
26 H ASP 4 H ASP 4 -1.872 -11.470 -5.839
27 HA ASP 4 HA ASP 4 -0.516 -9.119 -6.575
28 HB2 ASP 4 HB1 ASP 4 -1.377 -10.133 -8.834
29 HB3 ASP 4 HB2 ASP 4 -2.928 -9.483 -8.314
30 H ASP 5 H ASP 5 -1.141 -8.694 -4.420
31 HA ASP 5 HA ASP 5 -3.884 -7.679 -4.201
32 HB2 ASP 5 HB1 ASP 5 -2.499 -9.497 -2.225
33 HB3 ASP 5 HB2 ASP 5 -3.916 -8.536 -1.815
34 H LEU 6 H LEU 6 -4.070 -5.766 -3.153
35 HA LEU 6 HA LEU 6 -1.573 -4.540 -2.216
36 HB2 LEU 6 HB1 LEU 6 -4.086 -3.488 -3.420
37 HB3 LEU 6 HB2 LEU 6 -3.192 -2.445 -2.332
38 HG LEU 6 HG LEU 6 -2.646 -2.072 -4.718
39 HD11 LEU 6 HD11 LEU 6 -1.026 -1.478 -3.021
40 HD12 LEU 6 HD12 LEU 6 -0.201 -2.119 -4.442
41 HD13 LEU 6 HD13 LEU 6 -0.399 -3.127 -3.007
42 HD21 LEU 6 HD21 LEU 6 -1.089 -4.597 -4.792
43 HD22 LEU 6 HD22 LEU 6 -1.811 -3.671 -6.108
44 HD23 LEU 6 HD23 LEU 6 -2.825 -4.690 -5.086
45 H GLU 7 H GLU 7 -4.827 -5.365 -1.243
46 HA GLU 7 HA GLU 7 -4.999 -3.869 1.118
47 HB2 GLU 7 HB1 GLU 7 -6.660 -5.602 1.828
48 HB3 GLU 7 HB2 GLU 7 -6.966 -4.913 0.240
49 HG2 GLU 7 HG1 GLU 7 -7.201 -7.030 -0.412
50 HG3 GLU 7 HG2 GLU 7 -5.438 -7.072 -0.390
51 H PHE 8 H PHE 8 -3.395 -6.889 0.400
52 HA PHE 8 HA PHE 8 -2.793 -7.374 3.207
53 HB2 PHE 8 HB2 PHE 8 -3.392 -9.269 1.728
54 HB3 PHE 8 HB1 PHE 8 -1.964 -8.938 0.753
55 HD1 PHE 8 HD1 PHE 8 0.307 -8.976 2.006
56 HD2 PHE 8 HD2 PHE 8 -3.263 -10.764 3.480
57 HE1 PHE 8 HE1 PHE 8 1.646 -10.429 3.473
58 HE2 PHE 8 HE2 PHE 8 -1.930 -12.219 4.950
59 HZ PHE 8 HZ PHE 8 0.527 -12.052 4.948
60 H TRP 9 H TRP 9 -1.253 -6.232 0.288
61 HA TRP 9 HA TRP 9 1.413 -6.336 1.342
62 HB2 TRP 9 HB2 TRP 9 0.380 -6.130 -1.179
63 HB3 TRP 9 HB1 TRP 9 0.892 -4.472 -0.879
64 HD1 TRP 9 HD1 TRP 9 2.211 -7.820 -1.862
65 HE1 TRP 9 HE1 TRP 9 4.776 -7.730 -2.073
66 HE3 TRP 9 HE3 TRP 9 3.048 -3.270 0.316
67 HZ2 TRP 9 HZ2 TRP 9 6.874 -5.964 -1.405
68 HZ3 TRP 9 HZ3 TRP 9 5.362 -2.453 0.491
69 HH2 TRP 9 HH2 TRP 9 7.234 -3.775 -0.352
70 H CYS 10 H CYS 10 -1.168 -3.987 1.232
71 HA CYS 10 HA CYS 10 0.581 -1.908 2.316
72 HB2 CYS 10 HB2 CYS 10 -2.201 -1.894 1.170
73 HB3 CYS 10 HB1 CYS 10 -1.597 -0.530 2.105
74 H HIS 11 H HIS 11 0.098 -4.114 3.984
75 HA HIS 11 HA HIS 11 -1.277 -2.769 6.190
76 HB2 HIS 11 HB1 HIS 11 -2.805 -4.462 5.030
77 HB3 HIS 11 HB2 HIS 11 -1.726 -5.703 5.656
78 HD1 HIS 11 HD1 HIS 11 -3.573 -2.719 7.154
79 HD2 HIS 11 HD2 HIS 11 -2.669 -6.690 7.977
80 HE1 HIS 11 HE1 HIS 11 -4.677 -3.216 9.358
81 HE2 HIS 11 HE2 HIS 11 -4.191 -5.649 9.793
82 H VAL 12 H VAL 12 0.678 -5.574 5.220
83 HA VAL 12 HA VAL 12 1.775 -5.919 7.852
84 HB VAL 12 HB VAL 12 1.505 -7.828 6.322
85 HG11 VAL 12 HG11 VAL 12 2.432 -7.993 4.268
86 HG12 VAL 12 HG21 VAL 12 3.886 -7.111 4.733
87 HG13 VAL 12 HG13 VAL 12 2.404 -6.232 4.361
88 HG21 VAL 12 HG12 VAL 12 4.050 -7.111 7.609
89 HG22 VAL 12 HG22 VAL 12 4.135 -8.442 6.455
90 HG23 VAL 12 HG23 VAL 12 3.027 -8.531 7.825
91 H MET 13 H MET 13 2.749 -4.332 4.881
92 HA MET 13 HA MET 13 5.347 -3.643 6.045
93 HB2 MET 13 HB1 MET 13 4.279 -3.182 3.253
94 HB3 MET 13 HB2 MET 13 5.912 -2.821 3.797
95 HG2 MET 13 HG1 MET 13 4.678 -5.564 3.745
96 HG3 MET 13 HG2 MET 13 5.757 -4.912 2.514
97 HE1 MET 13 HE1 MET 13 9.130 -4.719 3.986
98 HE2 MET 13 HE2 MET 13 7.959 -4.194 2.776
99 HE3 MET 13 HE3 MET 13 8.517 -5.867 2.797
100 H TYR 14 H TYR 14 2.690 -1.996 4.322
101 HA TYR 14 HA TYR 14 3.527 0.550 5.465
102 HB2 TYR 14 HB2 TYR 14 1.426 -0.178 3.419
103 HB3 TYR 14 HB1 TYR 14 1.670 1.461 4.015
104 HD1 TYR 14 HD1 TYR 14 3.928 2.552 3.638
105 HD2 TYR 14 HD2 TYR 14 2.758 -1.045 1.688
106 HE1 TYR 14 HE1 TYR 14 5.673 2.912 1.941
107 HE2 TYR 14 HE2 TYR 14 4.500 -0.696 -0.012
108 HH TYR 14 HH TYR 14 5.827 1.083 -0.953
109 H1 LEU 51 H1 LEU 51 2.273 -5.218 -17.421
110 H2 LEU 51 H2 LEU 51 1.054 -6.405 -17.191
111 H3 LEU 51 H3 LEU 51 2.048 -5.927 -15.876
112 HA LEU 51 HA LEU 51 -0.090 -4.449 -17.224
113 HB2 LEU 51 HB1 LEU 51 0.522 -5.562 -14.530
114 HB3 LEU 51 HB2 LEU 51 -0.426 -4.088 -14.604
115 HG LEU 51 HG LEU 51 -1.842 -5.510 -16.343
116 HD11 LEU 51 HD11 LEU 51 -0.377 -7.456 -16.272
117 HD12 LEU 51 HD12 LEU 51 -1.982 -7.847 -15.651
118 HD13 LEU 51 HD13 LEU 51 -0.639 -7.600 -14.534
119 HD21 LEU 51 HD21 LEU 51 -2.202 -6.125 -13.434
120 HD22 LEU 51 HD22 LEU 51 -3.423 -5.811 -14.668
121 HD23 LEU 51 HD23 LEU 51 -2.433 -4.489 -14.051
122 HA PRO 52 HA PRO 52 2.102 -0.644 -16.769
123 HB2 PRO 52 HB2 PRO 52 0.066 1.083 -16.286
124 HB3 PRO 52 HB1 PRO 52 0.357 0.366 -17.874
125 HG2 PRO 52 HG2 PRO 52 -1.610 -0.438 -15.763
126 HG3 PRO 52 HG1 PRO 52 -1.841 -0.309 -17.518
127 HD2 PRO 52 HD2 PRO 52 -1.422 -2.677 -16.274
128 HD3 PRO 52 HD1 PRO 52 -0.855 -2.352 -17.925
129 H SER 53 H SER 53 -0.386 -1.208 -14.287
130 HA SER 53 HA SER 53 0.636 0.567 -12.369
131 HB2 SER 53 HB1 SER 53 -1.193 -1.800 -12.280
132 HB3 SER 53 HB2 SER 53 -0.598 -1.123 -10.765
133 HG SER 53 HG SER 53 -1.629 0.746 -11.176
134 H ASP 54 H ASP 54 2.315 0.464 -11.020
135 HA ASP 54 HA ASP 54 3.388 -2.042 -10.102
136 HB2 ASP 54 HB1 ASP 54 4.722 -0.483 -12.254
137 HB3 ASP 54 HB2 ASP 54 5.751 -1.134 -10.981
138 H ASP 55 H ASP 55 5.696 -1.406 -9.002
139 HA ASP 55 HA ASP 55 6.677 -0.363 -7.236
140 HB2 ASP 55 HB1 ASP 55 5.264 2.109 -8.264
141 HB3 ASP 55 HB2 ASP 55 6.652 2.071 -7.181
142 H LEU 56 H LEU 56 6.273 0.503 -5.109
143 HA LEU 56 HA LEU 56 3.459 0.184 -4.306
144 HB2 LEU 56 HB1 LEU 56 6.047 -0.445 -2.939
145 HB3 LEU 56 HB2 LEU 56 4.606 -0.146 -1.986
146 HG LEU 56 HG LEU 56 4.898 -2.523 -2.286
147 HD11 LEU 56 HD11 LEU 56 2.668 -1.734 -4.134
148 HD12 LEU 56 HD12 LEU 56 2.599 -1.431 -2.398
149 HD13 LEU 56 HD13 LEU 56 2.738 -3.083 -3.000
150 HD21 LEU 56 HD21 LEU 56 4.597 -2.185 -5.252
151 HD22 LEU 56 HD22 LEU 56 5.128 -3.602 -4.347
152 HD23 LEU 56 HD23 LEU 56 6.182 -2.194 -4.479
153 H GLU 57 H GLU 57 6.280 2.234 -4.107
154 HA GLU 57 HA GLU 57 5.443 3.989 -2.094
155 HB2 GLU 57 HB1 GLU 57 6.991 5.625 -3.190
156 HB3 GLU 57 HB2 GLU 57 7.715 4.059 -2.848
157 HG2 GLU 57 HG1 GLU 57 8.440 4.151 -4.952
158 HG3 GLU 57 HG2 GLU 57 6.791 3.699 -5.383
159 H PHE 58 H PHE 58 4.598 3.776 -5.477
160 HA PHE 58 HA PHE 58 3.154 6.307 -5.389
161 HB2 PHE 58 HB2 PHE 58 4.543 5.528 -7.386
162 HB3 PHE 58 HB1 PHE 58 3.253 4.372 -7.701
163 HD1 PHE 58 HD1 PHE 58 4.376 7.744 -8.103
164 HD2 PHE 58 HD2 PHE 58 0.922 5.258 -8.113
165 HE1 PHE 58 HE1 PHE 58 3.141 9.472 -9.346
166 HE2 PHE 58 HE2 PHE 58 -0.318 6.981 -9.357
167 HZ PHE 58 HZ PHE 58 0.791 9.090 -9.975
168 H TRP 59 H TRP 59 2.495 2.855 -5.886
169 HA TRP 59 HA TRP 59 -0.295 3.097 -6.182
170 HB2 TRP 59 HB2 TRP 59 1.412 1.062 -6.517
171 HB3 TRP 59 HB1 TRP 59 0.807 0.641 -4.918
172 HD1 TRP 59 HD1 TRP 59 0.021 0.193 -8.483
173 HE1 TRP 59 HE1 TRP 59 -2.362 -0.730 -8.784
174 HE3 TRP 59 HE3 TRP 59 -1.758 0.975 -3.753
175 HZ2 TRP 59 HZ2 TRP 59 -4.689 -1.082 -7.223
176 HZ3 TRP 59 HZ3 TRP 59 -4.072 0.316 -3.241
177 HH2 TRP 59 HH2 TRP 59 -5.507 -0.690 -4.942
178 H CYS 60 H CYS 60 1.649 2.189 -3.335
179 HA CYS 60 HA CYS 60 -0.663 2.350 -1.608
180 HB2 CYS 60 HB2 CYS 60 1.493 0.807 -1.452
181 HB3 CYS 60 HB1 CYS 60 2.106 2.165 -0.516
182 H HIS 61 H HIS 61 -1.059 4.641 -2.205
183 HA HIS 61 HA HIS 61 -0.300 6.369 -0.127
184 HB2 HIS 61 HB1 HIS 61 1.844 6.286 -1.516
185 HB3 HIS 61 HB2 HIS 61 0.951 7.165 -2.754
186 HD1 HIS 61 HD1 HIS 61 1.078 9.630 -2.591
187 HD2 HIS 61 HD2 HIS 61 1.860 7.794 1.054
188 HE1 HIS 61 HE1 HIS 61 1.706 11.492 -1.022
189 HE2 HIS 61 HE2 HIS 61 2.258 10.348 1.154
190 H VAL 62 H VAL 62 -1.210 6.300 -3.560
191 HA VAL 62 HA VAL 62 -2.886 8.622 -3.328
192 HB VAL 62 HB VAL 62 -1.776 8.078 -5.450
193 HG11 VAL 62 HG11 VAL 62 -2.441 5.504 -4.968
194 HG12 VAL 62 HG21 VAL 62 -1.969 6.123 -6.550
195 HG13 VAL 62 HG13 VAL 62 -3.677 5.943 -6.148
196 HG21 VAL 62 HG12 VAL 62 -3.825 9.427 -5.450
197 HG22 VAL 62 HG22 VAL 62 -4.784 7.961 -5.652
198 HG23 VAL 62 HG23 VAL 62 -3.673 8.469 -6.923
199 H MET 63 H MET 63 -3.315 5.158 -3.161
200 HA MET 63 HA MET 63 -6.224 5.490 -2.986
201 HB2 MET 63 HB1 MET 63 -4.722 2.878 -3.091
202 HB3 MET 63 HB2 MET 63 -6.425 3.161 -3.426
203 HG2 MET 63 HG1 MET 63 -4.202 4.309 -5.091
204 HG3 MET 63 HG2 MET 63 -4.967 2.756 -5.425
205 HE1 MET 63 HE1 MET 63 -6.658 4.365 -8.256
206 HE2 MET 63 HE2 MET 63 -7.081 2.872 -7.420
207 HE3 MET 63 HE3 MET 63 -5.387 3.315 -7.627
208 H TYR 64 H TYR 64 -3.455 4.147 -1.241
209 HA TYR 64 HA TYR 64 -5.154 3.766 1.122
210 HB2 TYR 64 HB2 TYR 64 -2.493 2.639 0.294
211 HB3 TYR 64 HB1 TYR 64 -3.005 2.595 1.978
212 HD1 TYR 64 HD1 TYR 64 -5.000 1.280 2.629
213 HD2 TYR 64 HD2 TYR 64 -3.446 1.168 -1.330
214 HE1 TYR 64 HE1 TYR 64 -6.281 -0.773 2.190
215 HE2 TYR 64 HE2 TYR 64 -4.723 -0.885 -1.779
216 HH TYR 64 HH TYR 64 -7.087 -1.887 -0.568
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 3.685 -15.959 -8.206
2 H2 LEU 1 H2 LEU 1 3.380 -15.177 -9.705
3 H3 LEU 1 H3 LEU 1 2.186 -15.170 -8.471
4 HA LEU 1 HA LEU 1 4.798 -13.822 -8.462
5 HB2 LEU 1 HB1 LEU 1 1.922 -12.998 -8.683
6 HB3 LEU 1 HB2 LEU 1 3.112 -11.880 -8.043
7 HG LEU 1 HG LEU 1 3.352 -13.180 -10.753
8 HD11 LEU 1 HD11 LEU 1 1.380 -11.458 -10.147
9 HD12 LEU 1 HD12 LEU 1 2.167 -11.526 -11.724
10 HD13 LEU 1 HD13 LEU 1 2.669 -10.320 -10.536
11 HD21 LEU 1 HD21 LEU 1 5.313 -12.078 -9.317
12 HD22 LEU 1 HD22 LEU 1 4.652 -10.617 -10.052
13 HD23 LEU 1 HD23 LEU 1 5.221 -11.938 -11.072
14 HA PRO 2 HA PRO 2 4.774 -13.914 -4.055
15 HB2 PRO 2 HB2 PRO 2 5.683 -11.440 -3.405
16 HB3 PRO 2 HB1 PRO 2 6.719 -12.691 -4.102
17 HG2 PRO 2 HG2 PRO 2 5.381 -10.373 -5.445
18 HG3 PRO 2 HG1 PRO 2 7.031 -10.988 -5.656
19 HD2 PRO 2 HD2 PRO 2 5.034 -11.551 -7.395
20 HD3 PRO 2 HD1 PRO 2 6.353 -12.690 -7.056
21 H SER 3 H SER 3 3.097 -11.256 -5.619
22 HA SER 3 HA SER 3 0.954 -11.432 -3.697
23 HB2 SER 3 HB1 SER 3 1.090 -8.821 -3.434
24 HB3 SER 3 HB2 SER 3 2.071 -9.862 -2.402
25 HG SER 3 HG SER 3 2.842 -8.065 -4.309
26 H ASP 4 H ASP 4 -0.653 -9.469 -4.265
27 HA ASP 4 HA ASP 4 -0.681 -8.758 -7.052
28 HB2 ASP 4 HB1 ASP 4 -2.369 -10.981 -5.997
29 HB3 ASP 4 HB2 ASP 4 -3.084 -9.884 -7.176
30 H ASP 5 H ASP 5 -3.172 -9.304 -4.559
31 HA ASP 5 HA ASP 5 -4.515 -6.876 -5.087
32 HB2 ASP 5 HB1 ASP 5 -4.601 -8.666 -2.649
33 HB3 ASP 5 HB2 ASP 5 -5.724 -7.346 -2.962
34 H LEU 6 H LEU 6 -4.830 -5.112 -3.506
35 HA LEU 6 HA LEU 6 -2.259 -4.388 -2.281
36 HB2 LEU 6 HB1 LEU 6 -4.516 -2.772 -3.420
37 HB3 LEU 6 HB2 LEU 6 -3.375 -2.049 -2.301
38 HG LEU 6 HG LEU 6 -2.840 -1.624 -4.689
39 HD11 LEU 6 HD11 LEU 6 -0.426 -2.739 -4.416
40 HD12 LEU 6 HD12 LEU 6 -1.006 -2.907 -2.760
41 HD13 LEU 6 HD13 LEU 6 -0.935 -1.313 -3.512
42 HD21 LEU 6 HD21 LEU 6 -3.594 -4.095 -5.231
43 HD22 LEU 6 HD22 LEU 6 -1.881 -4.424 -4.968
44 HD23 LEU 6 HD23 LEU 6 -2.378 -3.268 -6.206
45 H GLU 7 H GLU 7 -4.207 -6.121 -0.998
46 HA GLU 7 HA GLU 7 -5.166 -4.415 1.192
47 HB2 GLU 7 HB1 GLU 7 -6.499 -6.453 1.837
48 HB3 GLU 7 HB2 GLU 7 -6.937 -5.732 0.295
49 HG2 GLU 7 HG1 GLU 7 -5.863 -7.449 -0.921
50 HG3 GLU 7 HG2 GLU 7 -5.062 -8.065 0.523
51 H PHE 8 H PHE 8 -3.107 -7.143 0.429
52 HA PHE 8 HA PHE 8 -2.429 -7.540 3.237
53 HB2 PHE 8 HB2 PHE 8 -2.774 -9.517 1.808
54 HB3 PHE 8 HB1 PHE 8 -1.454 -8.993 0.767
55 HD1 PHE 8 HD1 PHE 8 0.666 -9.805 1.150
56 HD2 PHE 8 HD2 PHE 8 -2.168 -9.835 4.324
57 HE1 PHE 8 HE1 PHE 8 2.266 -11.032 2.560
58 HE2 PHE 8 HE2 PHE 8 -0.573 -11.062 5.742
59 HZ PHE 8 HZ PHE 8 1.647 -11.662 4.860
60 H TRP 9 H TRP 9 -0.887 -6.571 0.199
61 HA TRP 9 HA TRP 9 1.701 -6.197 1.263
62 HB2 TRP 9 HB2 TRP 9 0.659 -6.185 -1.247
63 HB3 TRP 9 HB1 TRP 9 0.909 -4.460 -0.993
64 HD1 TRP 9 HD1 TRP 9 2.666 -7.374 -2.275
65 HE1 TRP 9 HE1 TRP 9 5.207 -6.976 -2.364
66 HE3 TRP 9 HE3 TRP 9 2.940 -3.204 0.672
67 HZ2 TRP 9 HZ2 TRP 9 7.081 -5.140 -1.323
68 HZ3 TRP 9 HZ3 TRP 9 5.145 -2.189 1.076
69 HH2 TRP 9 HH2 TRP 9 7.170 -3.138 0.098
70 H CYS 10 H CYS 10 -0.774 -3.777 0.392
71 HA CYS 10 HA CYS 10 0.626 -1.667 1.728
72 HB2 CYS 10 HB2 CYS 10 -0.784 -1.214 -0.225
73 HB3 CYS 10 HB1 CYS 10 -2.202 -1.772 0.657
74 H HIS 11 H HIS 11 0.685 -3.155 3.735
75 HA HIS 11 HA HIS 11 -0.878 -1.978 5.742
76 HB2 HIS 11 HB1 HIS 11 -2.434 -3.744 4.446
77 HB3 HIS 11 HB2 HIS 11 -1.671 -4.835 5.598
78 HD1 HIS 11 HD1 HIS 11 -3.278 -1.383 5.858
79 HD2 HIS 11 HD2 HIS 11 -3.214 -5.059 7.792
80 HE1 HIS 11 HE1 HIS 11 -4.842 -1.142 7.811
81 HE2 HIS 11 HE2 HIS 11 -4.852 -3.405 8.918
82 H VAL 12 H VAL 12 0.671 -5.064 4.886
83 HA VAL 12 HA VAL 12 1.711 -5.478 7.521
84 HB VAL 12 HB VAL 12 1.242 -7.366 6.022
85 HG11 VAL 12 HG11 VAL 12 2.140 -7.658 3.971
86 HG12 VAL 12 HG21 VAL 12 3.691 -6.956 4.431
87 HG13 VAL 12 HG13 VAL 12 2.328 -5.905 4.043
88 HG21 VAL 12 HG12 VAL 12 2.919 -8.662 6.848
89 HG22 VAL 12 HG22 VAL 12 3.214 -7.208 7.802
90 HG23 VAL 12 HG23 VAL 12 4.183 -7.532 6.363
91 H MET 13 H MET 13 2.912 -4.058 4.549
92 HA MET 13 HA MET 13 5.555 -3.667 5.746
93 HB2 MET 13 HB1 MET 13 4.552 -3.201 2.932
94 HB3 MET 13 HB2 MET 13 6.194 -2.870 3.470
95 HG2 MET 13 HG1 MET 13 5.026 -5.593 3.822
96 HG3 MET 13 HG2 MET 13 5.653 -5.091 2.253
97 HE1 MET 13 HE1 MET 13 8.075 -7.582 4.204
98 HE2 MET 13 HE2 MET 13 7.912 -7.201 2.490
99 HE3 MET 13 HE3 MET 13 6.473 -7.489 3.469
100 H TYR 14 H TYR 14 2.917 -1.818 4.256
101 HA TYR 14 HA TYR 14 4.122 0.670 5.212
102 HB2 TYR 14 HB2 TYR 14 1.915 0.054 3.260
103 HB3 TYR 14 HB1 TYR 14 2.150 1.680 3.895
104 HD1 TYR 14 HD1 TYR 14 3.470 -0.906 1.684
105 HD2 TYR 14 HD2 TYR 14 4.141 2.970 3.301
106 HE1 TYR 14 HE1 TYR 14 5.173 -0.489 -0.040
107 HE2 TYR 14 HE2 TYR 14 5.845 3.400 1.580
108 HH TYR 14 HH TYR 14 7.253 1.051 -0.240
109 H1 LEU 51 H1 LEU 51 -1.051 -2.921 -17.955
110 H2 LEU 51 H2 LEU 51 -1.879 -1.807 -18.965
111 H3 LEU 51 H3 LEU 51 -2.389 -2.042 -17.341
112 HA LEU 51 HA LEU 51 0.044 -0.743 -18.341
113 HB2 LEU 51 HB1 LEU 51 -2.464 0.014 -16.926
114 HB3 LEU 51 HB2 LEU 51 -1.002 0.886 -16.508
115 HG LEU 51 HG LEU 51 -2.211 2.122 -18.184
116 HD11 LEU 51 HD11 LEU 51 0.417 1.573 -18.303
117 HD12 LEU 51 HD12 LEU 51 -0.401 2.675 -19.410
118 HD13 LEU 51 HD13 LEU 51 -0.086 1.010 -19.896
119 HD21 LEU 51 HD21 LEU 51 -3.324 -0.016 -19.079
120 HD22 LEU 51 HD22 LEU 51 -1.903 -0.147 -20.116
121 HD23 LEU 51 HD23 LEU 51 -2.945 1.272 -20.224
122 HA PRO 52 HA PRO 52 1.526 -3.024 -14.628
123 HB2 PRO 52 HB2 PRO 52 4.106 -3.177 -15.458
124 HB3 PRO 52 HB1 PRO 52 2.866 -4.331 -15.965
125 HG2 PRO 52 HG2 PRO 52 3.948 -1.949 -17.423
126 HG3 PRO 52 HG1 PRO 52 3.593 -3.574 -18.041
127 HD2 PRO 52 HD2 PRO 52 1.918 -1.479 -18.405
128 HD3 PRO 52 HD1 PRO 52 1.335 -3.146 -18.226
129 H SER 53 H SER 53 2.116 -1.990 -12.831
130 HA SER 53 HA SER 53 3.761 0.442 -13.080
131 HB2 SER 53 HB1 SER 53 1.518 1.167 -12.580
132 HB3 SER 53 HB2 SER 53 1.371 -0.019 -11.284
133 HG SER 53 HG SER 53 3.293 2.067 -11.301
134 H ASP 54 H ASP 54 5.393 0.702 -11.626
135 HA ASP 54 HA ASP 54 5.871 -1.558 -9.807
136 HB2 ASP 54 HB1 ASP 54 7.644 0.194 -11.426
137 HB3 ASP 54 HB2 ASP 54 8.263 -0.345 -9.869
138 H ASP 55 H ASP 55 7.584 -0.666 -8.015
139 HA ASP 55 HA ASP 55 7.810 0.476 -6.063
140 HB2 ASP 55 HB1 ASP 55 6.457 2.723 -7.572
141 HB3 ASP 55 HB2 ASP 55 7.339 2.885 -6.057
142 H LEU 56 H LEU 56 6.690 0.041 -4.291
143 HA LEU 56 HA LEU 56 3.824 -0.266 -4.409
144 HB2 LEU 56 HB1 LEU 56 5.960 -0.853 -2.416
145 HB3 LEU 56 HB2 LEU 56 4.311 -0.704 -1.840
146 HG LEU 56 HG LEU 56 4.975 -3.042 -2.295
147 HD11 LEU 56 HD11 LEU 56 2.990 -3.641 -3.606
148 HD12 LEU 56 HD12 LEU 56 2.800 -1.951 -4.073
149 HD13 LEU 56 HD13 LEU 56 2.633 -2.423 -2.382
150 HD21 LEU 56 HD21 LEU 56 5.453 -3.831 -4.457
151 HD22 LEU 56 HD22 LEU 56 6.438 -2.381 -4.267
152 HD23 LEU 56 HD23 LEU 56 4.948 -2.319 -5.210
153 H GLU 57 H GLU 57 6.118 2.041 -3.145
154 HA GLU 57 HA GLU 57 4.472 3.417 -1.350
155 HB2 GLU 57 HB1 GLU 57 6.010 5.385 -1.899
156 HB3 GLU 57 HB2 GLU 57 6.766 3.929 -1.266
157 HG2 GLU 57 HG1 GLU 57 7.676 3.355 -3.328
158 HG3 GLU 57 HG2 GLU 57 6.570 4.406 -4.213
159 H PHE 58 H PHE 58 4.697 3.542 -4.834
160 HA PHE 58 HA PHE 58 3.225 5.959 -5.166
161 HB2 PHE 58 HB2 PHE 58 4.741 5.063 -6.900
162 HB3 PHE 58 HB1 PHE 58 3.655 3.696 -7.128
163 HD1 PHE 58 HD1 PHE 58 3.961 7.358 -7.478
164 HD2 PHE 58 HD2 PHE 58 1.741 3.871 -8.489
165 HE1 PHE 58 HE1 PHE 58 2.692 8.652 -9.142
166 HE2 PHE 58 HE2 PHE 58 0.468 5.159 -10.155
167 HZ PHE 58 HZ PHE 58 0.943 7.554 -10.483
168 H TRP 59 H TRP 59 2.379 2.535 -5.112
169 HA TRP 59 HA TRP 59 -0.388 3.032 -5.749
170 HB2 TRP 59 HB2 TRP 59 1.206 0.849 -6.013
171 HB3 TRP 59 HB1 TRP 59 0.347 0.443 -4.530
172 HD1 TRP 59 HD1 TRP 59 0.044 0.044 -8.134
173 HE1 TRP 59 HE1 TRP 59 -2.370 -0.531 -8.816
174 HE3 TRP 59 HE3 TRP 59 -2.342 1.251 -3.777
175 HZ2 TRP 59 HZ2 TRP 59 -4.945 -0.481 -7.660
176 HZ3 TRP 59 HZ3 TRP 59 -4.782 0.958 -3.647
177 HH2 TRP 59 HH2 TRP 59 -6.056 0.110 -5.551
178 H CYS 60 H CYS 60 1.290 1.728 -2.882
179 HA CYS 60 HA CYS 60 -1.032 2.032 -1.228
180 HB2 CYS 60 HB2 CYS 60 0.595 0.248 -0.807
181 HB3 CYS 60 HB1 CYS 60 1.842 1.447 -0.485
182 H HIS 61 H HIS 61 -1.074 4.413 -2.025
183 HA HIS 61 HA HIS 61 -0.581 6.068 0.185
184 HB2 HIS 61 HB1 HIS 61 1.781 5.723 -0.830
185 HB3 HIS 61 HB2 HIS 61 1.226 6.807 -2.101
186 HD1 HIS 61 HD1 HIS 61 3.141 8.434 -1.222
187 HD2 HIS 61 HD2 HIS 61 -0.016 7.785 1.400
188 HE1 HIS 61 HE1 HIS 61 3.309 10.262 0.496
189 HE2 HIS 61 HE2 HIS 61 1.441 9.798 2.121
190 H VAL 62 H VAL 62 -0.869 5.981 -3.342
191 HA VAL 62 HA VAL 62 -2.206 8.511 -3.497
192 HB VAL 62 HB VAL 62 -0.893 7.654 -5.386
193 HG11 VAL 62 HG11 VAL 62 -1.269 5.695 -6.465
194 HG12 VAL 62 HG21 VAL 62 -3.009 5.741 -6.176
195 HG13 VAL 62 HG13 VAL 62 -1.913 5.241 -4.887
196 HG21 VAL 62 HG12 VAL 62 -2.659 9.282 -5.808
197 HG22 VAL 62 HG22 VAL 62 -3.824 7.975 -6.020
198 HG23 VAL 62 HG23 VAL 62 -2.494 8.166 -7.163
199 H MET 63 H MET 63 -3.177 5.162 -3.231
200 HA MET 63 HA MET 63 -5.994 5.904 -3.556
201 HB2 MET 63 HB1 MET 63 -4.642 3.205 -3.411
202 HB3 MET 63 HB2 MET 63 -6.382 3.431 -3.532
203 HG2 MET 63 HG1 MET 63 -4.361 4.363 -5.559
204 HG3 MET 63 HG2 MET 63 -5.346 2.907 -5.688
205 HE1 MET 63 HE1 MET 63 -7.984 3.243 -4.980
206 HE2 MET 63 HE2 MET 63 -7.898 2.977 -6.721
207 HE3 MET 63 HE3 MET 63 -8.926 4.255 -6.074
208 H TYR 64 H TYR 64 -3.927 4.054 -1.318
209 HA TYR 64 HA TYR 64 -5.953 4.401 0.772
210 HB2 TYR 64 HB2 TYR 64 -3.489 2.644 0.729
211 HB3 TYR 64 HB1 TYR 64 -4.698 2.683 2.008
212 HD1 TYR 64 HD1 TYR 64 -7.128 2.104 1.317
213 HD2 TYR 64 HD2 TYR 64 -3.715 1.146 -1.035
214 HE1 TYR 64 HE1 TYR 64 -8.429 0.379 0.143
215 HE2 TYR 64 HE2 TYR 64 -5.006 -0.581 -2.217
216 HH TYR 64 HH TYR 64 -6.967 -1.941 -1.918
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 -9.748 -15.543 -10.930
2 H2 LEU 1 H2 LEU 1 -10.155 -14.443 -9.677
3 H3 LEU 1 H3 LEU 1 -10.758 -16.050 -9.640
4 HA LEU 1 HA LEU 1 -9.068 -16.074 -8.135
5 HB2 LEU 1 HB1 LEU 1 -8.450 -17.133 -10.838
6 HB3 LEU 1 HB2 LEU 1 -7.145 -17.152 -9.668
7 HG LEU 1 HG LEU 1 -8.383 -19.286 -9.760
8 HD11 LEU 1 HD11 LEU 1 -9.075 -19.125 -7.185
9 HD12 LEU 1 HD12 LEU 1 -8.131 -17.640 -7.316
10 HD13 LEU 1 HD13 LEU 1 -7.398 -19.192 -7.724
11 HD21 LEU 1 HD21 LEU 1 -10.592 -18.211 -10.278
12 HD22 LEU 1 HD22 LEU 1 -10.698 -17.768 -8.575
13 HD23 LEU 1 HD23 LEU 1 -10.641 -19.467 -9.042
14 HA PRO 2 HA PRO 2 -6.708 -12.208 -9.033
15 HB2 PRO 2 HB2 PRO 2 -6.683 -11.339 -6.462
16 HB3 PRO 2 HB1 PRO 2 -8.029 -11.032 -7.565
17 HG2 PRO 2 HG2 PRO 2 -7.758 -13.129 -5.445
18 HG3 PRO 2 HG1 PRO 2 -9.156 -12.108 -5.837
19 HD2 PRO 2 HD2 PRO 2 -8.956 -14.680 -6.659
20 HD3 PRO 2 HD1 PRO 2 -9.784 -13.433 -7.616
21 H SER 3 H SER 3 -4.556 -12.250 -9.118
22 HA SER 3 HA SER 3 -3.058 -14.261 -7.750
23 HB2 SER 3 HB1 SER 3 -2.369 -12.027 -9.634
24 HB3 SER 3 HB2 SER 3 -1.089 -12.892 -8.785
25 HG SER 3 HG SER 3 -2.682 -13.706 -10.866
26 H ASP 4 H ASP 4 -2.686 -10.710 -7.741
27 HA ASP 4 HA ASP 4 -2.030 -10.871 -4.878
28 HB2 ASP 4 HB1 ASP 4 -0.077 -10.506 -6.679
29 HB3 ASP 4 HB2 ASP 4 -0.605 -8.833 -6.508
30 H ASP 5 H ASP 5 -2.513 -9.004 -3.651
31 HA ASP 5 HA ASP 5 -4.140 -6.969 -5.006
32 HB2 ASP 5 HB1 ASP 5 -4.890 -8.460 -2.483
33 HB3 ASP 5 HB2 ASP 5 -5.729 -7.031 -3.077
34 H LEU 6 H LEU 6 -4.537 -5.049 -3.561
35 HA LEU 6 HA LEU 6 -2.051 -4.427 -2.138
36 HB2 LEU 6 HB1 LEU 6 -4.115 -2.793 -3.547
37 HB3 LEU 6 HB2 LEU 6 -3.150 -2.043 -2.290
38 HG LEU 6 HG LEU 6 -2.265 -1.672 -4.579
39 HD11 LEU 6 HD11 LEU 6 -0.735 -2.940 -2.387
40 HD12 LEU 6 HD12 LEU 6 -0.561 -1.346 -3.122
41 HD13 LEU 6 HD13 LEU 6 0.077 -2.771 -3.943
42 HD21 LEU 6 HD21 LEU 6 -1.090 -3.598 -5.652
43 HD22 LEU 6 HD22 LEU 6 -2.850 -3.721 -5.657
44 HD23 LEU 6 HD23 LEU 6 -1.904 -4.662 -4.505
45 H GLU 7 H GLU 7 -4.121 -6.031 -0.911
46 HA GLU 7 HA GLU 7 -5.121 -4.208 1.168
47 HB2 GLU 7 HB1 GLU 7 -6.712 -5.985 1.741
48 HB3 GLU 7 HB2 GLU 7 -6.856 -5.515 0.053
49 HG2 GLU 7 HG1 GLU 7 -5.666 -7.476 -0.653
50 HG3 GLU 7 HG2 GLU 7 -5.325 -7.917 1.021
51 H PHE 8 H PHE 8 -3.168 -7.044 0.574
52 HA PHE 8 HA PHE 8 -2.649 -7.351 3.440
53 HB2 PHE 8 HB2 PHE 8 -3.224 -9.364 2.068
54 HB3 PHE 8 HB1 PHE 8 -1.735 -9.118 1.161
55 HD1 PHE 8 HD1 PHE 8 0.448 -9.023 2.574
56 HD2 PHE 8 HD2 PHE 8 -3.211 -10.724 3.928
57 HE1 PHE 8 HE1 PHE 8 1.683 -10.343 4.244
58 HE2 PHE 8 HE2 PHE 8 -1.982 -12.047 5.599
59 HZ PHE 8 HZ PHE 8 0.469 -11.856 5.759
60 H TRP 9 H TRP 9 -1.128 -6.446 0.428
61 HA TRP 9 HA TRP 9 1.546 -6.448 1.435
62 HB2 TRP 9 HB2 TRP 9 0.466 -6.364 -1.065
63 HB3 TRP 9 HB1 TRP 9 0.938 -4.682 -0.848
64 HD1 TRP 9 HD1 TRP 9 2.331 -8.035 -1.706
65 HE1 TRP 9 HE1 TRP 9 4.885 -7.883 -1.984
66 HE3 TRP 9 HE3 TRP 9 3.081 -3.364 0.230
67 HZ2 TRP 9 HZ2 TRP 9 6.945 -6.027 -1.453
68 HZ3 TRP 9 HZ3 TRP 9 5.374 -2.474 0.309
69 HH2 TRP 9 HH2 TRP 9 7.265 -3.779 -0.514
70 H CYS 10 H CYS 10 -1.058 -4.127 1.300
71 HA CYS 10 HA CYS 10 0.694 -1.982 2.234
72 HB2 CYS 10 HB2 CYS 10 -2.066 -2.099 1.093
73 HB3 CYS 10 HB1 CYS 10 -1.631 -0.733 2.112
74 H HIS 11 H HIS 11 0.417 -4.059 4.043
75 HA HIS 11 HA HIS 11 -0.811 -2.652 6.267
76 HB2 HIS 11 HB1 HIS 11 -1.843 -5.203 5.149
77 HB3 HIS 11 HB2 HIS 11 -1.746 -5.087 6.903
78 HD1 HIS 11 HD1 HIS 11 -3.720 -3.971 4.000
79 HD2 HIS 11 HD2 HIS 11 -3.392 -3.025 8.033
80 HE1 HIS 11 HE1 HIS 11 -5.772 -2.621 4.544
81 HE2 HIS 11 HE2 HIS 11 -5.508 -1.986 6.968
82 H VAL 12 H VAL 12 0.859 -5.610 5.226
83 HA VAL 12 HA VAL 12 2.061 -6.067 7.780
84 HB VAL 12 HB VAL 12 1.646 -7.907 6.200
85 HG11 VAL 12 HG11 VAL 12 3.998 -7.275 4.543
86 HG12 VAL 12 HG21 VAL 12 2.572 -6.275 4.266
87 HG13 VAL 12 HG13 VAL 12 2.464 -8.027 4.103
88 HG21 VAL 12 HG12 VAL 12 3.188 -8.754 7.597
89 HG22 VAL 12 HG22 VAL 12 4.250 -7.354 7.436
90 HG23 VAL 12 HG23 VAL 12 4.267 -8.620 6.209
91 H MET 13 H MET 13 2.996 -4.406 4.840
92 HA MET 13 HA MET 13 5.646 -3.849 5.968
93 HB2 MET 13 HB1 MET 13 4.580 -3.417 3.171
94 HB3 MET 13 HB2 MET 13 6.216 -3.043 3.698
95 HG2 MET 13 HG1 MET 13 4.952 -5.773 3.625
96 HG3 MET 13 HG2 MET 13 6.148 -5.143 2.494
97 HE1 MET 13 HE1 MET 13 8.829 -5.109 3.036
98 HE2 MET 13 HE2 MET 13 9.321 -4.795 4.700
99 HE3 MET 13 HE3 MET 13 8.199 -3.702 3.891
100 H TYR 14 H TYR 14 2.867 -2.209 4.479
101 HA TYR 14 HA TYR 14 3.844 0.339 5.563
102 HB2 TYR 14 HB2 TYR 14 1.847 -0.305 3.396
103 HB3 TYR 14 HB1 TYR 14 2.049 1.317 4.052
104 HD1 TYR 14 HD1 TYR 14 4.496 2.252 4.003
105 HD2 TYR 14 HD2 TYR 14 3.113 -0.948 1.565
106 HE1 TYR 14 HE1 TYR 14 6.339 2.664 2.429
107 HE2 TYR 14 HE2 TYR 14 4.952 -0.546 -0.016
108 HH TYR 14 HH TYR 14 7.265 0.494 0.073
109 H1 LEU 51 H1 LEU 51 -3.063 -4.320 -14.346
110 H2 LEU 51 H2 LEU 51 -1.931 -5.537 -14.770
111 H3 LEU 51 H3 LEU 51 -2.015 -4.087 -15.682
112 HA LEU 51 HA LEU 51 -0.181 -3.806 -14.380
113 HB2 LEU 51 HB1 LEU 51 -2.550 -2.597 -12.946
114 HB3 LEU 51 HB2 LEU 51 -0.889 -2.061 -12.775
115 HG LEU 51 HG LEU 51 -2.066 -2.092 -15.510
116 HD11 LEU 51 HD11 LEU 51 -3.596 -0.979 -13.616
117 HD12 LEU 51 HD12 LEU 51 -3.447 -0.323 -15.246
118 HD13 LEU 51 HD13 LEU 51 -2.498 0.366 -13.929
119 HD21 LEU 51 HD21 LEU 51 -0.469 -0.513 -15.967
120 HD22 LEU 51 HD22 LEU 51 0.343 -1.431 -14.699
121 HD23 LEU 51 HD23 LEU 51 -0.442 0.100 -14.314
122 HA PRO 52 HA PRO 52 -0.697 -7.054 -11.109
123 HB2 PRO 52 HB2 PRO 52 1.711 -8.228 -11.538
124 HB3 PRO 52 HB1 PRO 52 0.263 -8.646 -12.462
125 HG2 PRO 52 HG2 PRO 52 2.528 -6.831 -13.203
126 HG3 PRO 52 HG1 PRO 52 1.696 -8.045 -14.194
127 HD2 PRO 52 HD2 PRO 52 1.153 -5.398 -14.371
128 HD3 PRO 52 HD1 PRO 52 -0.081 -6.646 -14.639
129 H SER 53 H SER 53 -0.353 -4.670 -10.152
130 HA SER 53 HA SER 53 0.649 -3.415 -8.541
131 HB2 SER 53 HB1 SER 53 0.656 -5.403 -7.190
132 HB3 SER 53 HB2 SER 53 2.065 -6.040 -8.038
133 HG SER 53 HG SER 53 1.941 -4.314 -5.947
134 H ASP 54 H ASP 54 1.577 -2.127 -10.257
135 HA ASP 54 HA ASP 54 4.147 -2.604 -11.321
136 HB2 ASP 54 HB1 ASP 54 2.370 -1.030 -12.230
137 HB3 ASP 54 HB2 ASP 54 2.867 0.110 -10.985
138 H ASP 55 H ASP 55 3.110 -0.279 -8.818
139 HA ASP 55 HA ASP 55 5.737 -0.588 -7.551
140 HB2 ASP 55 HB1 ASP 55 4.467 1.945 -8.513
141 HB3 ASP 55 HB2 ASP 55 5.456 1.986 -7.056
142 H LEU 56 H LEU 56 5.713 0.534 -5.329
143 HA LEU 56 HA LEU 56 3.101 0.044 -4.051
144 HB2 LEU 56 HB1 LEU 56 5.861 -0.767 -3.272
145 HB3 LEU 56 HB2 LEU 56 4.719 -0.389 -1.997
146 HG LEU 56 HG LEU 56 4.814 -2.797 -2.477
147 HD11 LEU 56 HD11 LEU 56 2.637 -1.347 -1.935
148 HD12 LEU 56 HD12 LEU 56 2.600 -3.100 -2.126
149 HD13 LEU 56 HD13 LEU 56 2.130 -2.057 -3.468
150 HD21 LEU 56 HD21 LEU 56 4.190 -3.730 -4.541
151 HD22 LEU 56 HD22 LEU 56 5.299 -2.419 -4.947
152 HD23 LEU 56 HD23 LEU 56 3.561 -2.195 -5.140
153 H GLU 57 H GLU 57 6.114 1.898 -3.922
154 HA GLU 57 HA GLU 57 5.435 3.599 -1.805
155 HB2 GLU 57 HB1 GLU 57 7.169 5.092 -2.671
156 HB3 GLU 57 HB2 GLU 57 7.711 3.418 -2.693
157 HG2 GLU 57 HG1 GLU 57 6.681 3.635 -5.178
158 HG3 GLU 57 HG2 GLU 57 7.239 5.286 -4.908
159 H PHE 58 H PHE 58 4.582 3.666 -5.192
160 HA PHE 58 HA PHE 58 3.344 6.297 -4.925
161 HB2 PHE 58 HB2 PHE 58 4.691 5.707 -6.954
162 HB3 PHE 58 HB1 PHE 58 3.466 4.509 -7.362
163 HD1 PHE 58 HD1 PHE 58 1.122 5.285 -7.826
164 HD2 PHE 58 HD2 PHE 58 4.414 7.965 -7.516
165 HE1 PHE 58 HE1 PHE 58 -0.174 7.009 -9.011
166 HE2 PHE 58 HE2 PHE 58 3.124 9.693 -8.699
167 HZ PHE 58 HZ PHE 58 0.826 9.217 -9.448
168 H TRP 59 H TRP 59 2.474 2.926 -5.521
169 HA TRP 59 HA TRP 59 -0.293 3.385 -5.919
170 HB2 TRP 59 HB2 TRP 59 1.279 1.255 -6.326
171 HB3 TRP 59 HB1 TRP 59 0.611 0.797 -4.763
172 HD1 TRP 59 HD1 TRP 59 -0.136 0.629 -8.370
173 HE1 TRP 59 HE1 TRP 59 -2.564 -0.130 -8.761
174 HE3 TRP 59 HE3 TRP 59 -1.937 1.187 -3.618
175 HZ2 TRP 59 HZ2 TRP 59 -4.930 -0.450 -7.253
176 HZ3 TRP 59 HZ3 TRP 59 -4.293 0.633 -3.177
177 HH2 TRP 59 HH2 TRP 59 -5.757 -0.167 -4.958
178 H CYS 60 H CYS 60 1.565 2.320 -3.076
179 HA CYS 60 HA CYS 60 -0.752 2.377 -1.373
180 HB2 CYS 60 HB2 CYS 60 1.542 1.002 -1.221
181 HB3 CYS 60 HB1 CYS 60 1.983 2.370 -0.205
182 H HIS 61 H HIS 61 -1.127 4.704 -2.148
183 HA HIS 61 HA HIS 61 -0.698 6.449 0.003
184 HB2 HIS 61 HB1 HIS 61 1.595 6.314 -1.392
185 HB3 HIS 61 HB2 HIS 61 0.778 7.567 -2.318
186 HD1 HIS 61 HD1 HIS 61 0.642 7.130 1.442
187 HD2 HIS 61 HD2 HIS 61 2.119 9.767 -1.409
188 HE1 HIS 61 HE1 HIS 61 1.489 9.114 2.735
189 HE2 HIS 61 HE2 HIS 61 2.300 10.732 0.983
190 H VAL 62 H VAL 62 -0.978 6.525 -3.549
191 HA VAL 62 HA VAL 62 -2.759 8.756 -3.543
192 HB VAL 62 HB VAL 62 -1.321 8.268 -5.471
193 HG11 VAL 62 HG11 VAL 62 -1.835 5.701 -5.162
194 HG12 VAL 62 HG21 VAL 62 -1.411 6.368 -6.737
195 HG13 VAL 62 HG13 VAL 62 -3.099 6.049 -6.340
196 HG21 VAL 62 HG12 VAL 62 -3.055 8.522 -7.241
197 HG22 VAL 62 HG22 VAL 62 -3.260 9.621 -5.876
198 HG23 VAL 62 HG23 VAL 62 -4.285 8.192 -6.020
199 H MET 63 H MET 63 -3.149 5.260 -3.688
200 HA MET 63 HA MET 63 -6.026 5.488 -4.026
201 HB2 MET 63 HB1 MET 63 -4.195 3.100 -3.762
202 HB3 MET 63 HB2 MET 63 -5.940 2.977 -3.942
203 HG2 MET 63 HG1 MET 63 -4.071 4.257 -5.924
204 HG3 MET 63 HG2 MET 63 -4.748 2.635 -6.053
205 HE1 MET 63 HE1 MET 63 -5.852 5.925 -8.170
206 HE2 MET 63 HE2 MET 63 -6.124 4.329 -8.869
207 HE3 MET 63 HE3 MET 63 -4.606 4.684 -8.046
208 H TYR 64 H TYR 64 -3.701 4.453 -1.570
209 HA TYR 64 HA TYR 64 -5.892 4.170 0.361
210 HB2 TYR 64 HB2 TYR 64 -3.077 3.133 0.256
211 HB3 TYR 64 HB1 TYR 64 -3.918 3.244 1.799
212 HD1 TYR 64 HD1 TYR 64 -3.616 1.431 -1.326
213 HD2 TYR 64 HD2 TYR 64 -5.975 1.907 2.182
214 HE1 TYR 64 HE1 TYR 64 -4.703 -0.729 -1.771
215 HE2 TYR 64 HE2 TYR 64 -7.069 -0.251 1.747
216 HH TYR 64 HH TYR 64 -5.918 -2.537 -0.208
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 -5.963 -16.679 -5.579
2 H2 LEU 1 H2 LEU 1 -4.611 -15.626 -5.683
3 H3 LEU 1 H3 LEU 1 -4.848 -16.843 -6.869
4 HA LEU 1 HA LEU 1 -7.028 -15.719 -7.329
5 HB2 LEU 1 HB1 LEU 1 -5.655 -13.873 -5.450
6 HB3 LEU 1 HB2 LEU 1 -6.499 -13.145 -6.804
7 HG LEU 1 HG LEU 1 -7.884 -13.241 -4.770
8 HD11 LEU 1 HD11 LEU 1 -9.872 -14.191 -5.803
9 HD12 LEU 1 HD12 LEU 1 -8.870 -15.023 -6.993
10 HD13 LEU 1 HD13 LEU 1 -8.939 -13.259 -6.975
11 HD21 LEU 1 HD21 LEU 1 -8.505 -15.214 -3.716
12 HD22 LEU 1 HD22 LEU 1 -6.797 -15.476 -4.069
13 HD23 LEU 1 HD23 LEU 1 -8.033 -16.214 -5.089
14 HA PRO 2 HA PRO 2 -5.112 -14.617 -11.132
15 HB2 PRO 2 HB2 PRO 2 -6.542 -12.005 -11.020
16 HB3 PRO 2 HB1 PRO 2 -6.507 -13.213 -12.309
17 HG2 PRO 2 HG2 PRO 2 -8.644 -12.969 -10.742
18 HG3 PRO 2 HG1 PRO 2 -8.076 -14.565 -11.266
19 HD2 PRO 2 HD2 PRO 2 -7.794 -13.228 -8.614
20 HD3 PRO 2 HD1 PRO 2 -8.041 -14.944 -8.992
21 H SER 3 H SER 3 -5.243 -12.009 -8.737
22 HA SER 3 HA SER 3 -2.433 -11.431 -9.261
23 HB2 SER 3 HB1 SER 3 -4.690 -9.556 -9.774
24 HB3 SER 3 HB2 SER 3 -3.230 -8.889 -9.046
25 HG SER 3 HG SER 3 -3.086 -8.798 -11.297
26 H ASP 4 H ASP 4 -1.460 -10.068 -7.578
27 HA ASP 4 HA ASP 4 -2.270 -10.913 -4.990
28 HB2 ASP 4 HB1 ASP 4 0.088 -10.133 -6.007
29 HB3 ASP 4 HB2 ASP 4 -0.401 -8.620 -5.251
30 H ASP 5 H ASP 5 -2.787 -9.516 -3.178
31 HA ASP 5 HA ASP 5 -4.550 -7.322 -4.003
32 HB2 ASP 5 HB1 ASP 5 -4.452 -8.971 -1.472
33 HB3 ASP 5 HB2 ASP 5 -5.514 -7.584 -1.693
34 H LEU 6 H LEU 6 -4.130 -5.269 -3.478
35 HA LEU 6 HA LEU 6 -1.627 -4.569 -2.323
36 HB2 LEU 6 HB1 LEU 6 -3.998 -3.083 -3.347
37 HB3 LEU 6 HB2 LEU 6 -2.864 -2.224 -2.323
38 HG LEU 6 HG LEU 6 -2.424 -1.921 -4.741
39 HD11 LEU 6 HD11 LEU 6 -0.179 -1.823 -4.442
40 HD12 LEU 6 HD12 LEU 6 -0.084 -3.455 -3.778
41 HD13 LEU 6 HD13 LEU 6 -0.646 -2.123 -2.769
42 HD21 LEU 6 HD21 LEU 6 -1.562 -3.737 -6.068
43 HD22 LEU 6 HD22 LEU 6 -3.147 -4.182 -5.437
44 HD23 LEU 6 HD23 LEU 6 -1.688 -4.844 -4.700
45 H GLU 7 H GLU 7 -4.891 -4.840 -1.110
46 HA GLU 7 HA GLU 7 -4.642 -3.353 1.249
47 HB2 GLU 7 HB1 GLU 7 -6.539 -4.683 2.076
48 HB3 GLU 7 HB2 GLU 7 -6.799 -4.135 0.427
49 HG2 GLU 7 HG1 GLU 7 -7.381 -6.243 0.019
50 HG3 GLU 7 HG2 GLU 7 -5.647 -6.569 0.025
51 H PHE 8 H PHE 8 -3.598 -6.586 0.433
52 HA PHE 8 HA PHE 8 -2.960 -7.267 3.172
53 HB2 PHE 8 HB2 PHE 8 -3.740 -8.972 1.524
54 HB3 PHE 8 HB1 PHE 8 -2.242 -8.740 0.629
55 HD1 PHE 8 HD1 PHE 8 -0.054 -9.225 1.828
56 HD2 PHE 8 HD2 PHE 8 -3.847 -10.470 3.302
57 HE1 PHE 8 HE1 PHE 8 1.052 -10.912 3.238
58 HE2 PHE 8 HE2 PHE 8 -2.749 -12.159 4.715
59 HZ PHE 8 HZ PHE 8 -0.296 -12.381 4.685
60 H TRP 9 H TRP 9 -1.300 -6.158 0.289
61 HA TRP 9 HA TRP 9 1.332 -6.528 1.385
62 HB2 TRP 9 HB2 TRP 9 0.420 -6.286 -1.146
63 HB3 TRP 9 HB1 TRP 9 0.948 -4.631 -0.858
64 HD1 TRP 9 HD1 TRP 9 2.245 -8.022 -1.730
65 HE1 TRP 9 HE1 TRP 9 4.814 -7.968 -1.885
66 HE3 TRP 9 HE3 TRP 9 3.085 -3.426 0.343
67 HZ2 TRP 9 HZ2 TRP 9 6.918 -6.208 -1.216
68 HZ3 TRP 9 HZ3 TRP 9 5.405 -2.631 0.549
69 HH2 TRP 9 HH2 TRP 9 7.280 -3.995 -0.214
70 H CYS 10 H CYS 10 -1.023 -3.955 1.245
71 HA CYS 10 HA CYS 10 0.890 -2.046 2.366
72 HB2 CYS 10 HB2 CYS 10 -1.830 -1.788 1.124
73 HB3 CYS 10 HB1 CYS 10 -1.189 -0.495 2.130
74 H HIS 11 H HIS 11 0.152 -4.213 4.009
75 HA HIS 11 HA HIS 11 -1.105 -2.744 6.203
76 HB2 HIS 11 HB1 HIS 11 -2.828 -4.190 5.037
77 HB3 HIS 11 HB2 HIS 11 -1.894 -5.587 5.562
78 HD1 HIS 11 HD1 HIS 11 -4.789 -3.908 6.499
79 HD2 HIS 11 HD2 HIS 11 -1.461 -5.193 8.629
80 HE1 HIS 11 HE1 HIS 11 -5.539 -4.053 8.893
81 HE2 HIS 11 HE2 HIS 11 -3.485 -4.750 10.175
82 H VAL 12 H VAL 12 0.520 -5.752 5.233
83 HA VAL 12 HA VAL 12 1.466 -6.361 7.845
84 HB VAL 12 HB VAL 12 1.209 -8.094 6.125
85 HG11 VAL 12 HG11 VAL 12 3.718 -7.300 4.761
86 HG12 VAL 12 HG21 VAL 12 2.258 -6.394 4.366
87 HG13 VAL 12 HG13 VAL 12 2.301 -8.141 4.133
88 HG21 VAL 12 HG12 VAL 12 4.127 -7.953 6.811
89 HG22 VAL 12 HG22 VAL 12 3.074 -9.366 6.731
90 HG23 VAL 12 HG23 VAL 12 2.899 -8.209 8.051
91 H MET 13 H MET 13 2.785 -4.606 5.099
92 HA MET 13 HA MET 13 5.280 -4.138 6.568
93 HB2 MET 13 HB1 MET 13 4.683 -3.302 3.734
94 HB3 MET 13 HB2 MET 13 6.254 -3.469 4.506
95 HG2 MET 13 HG1 MET 13 4.363 -5.689 3.771
96 HG3 MET 13 HG2 MET 13 5.890 -5.293 2.985
97 HE1 MET 13 HE1 MET 13 5.549 -7.900 3.351
98 HE2 MET 13 HE2 MET 13 6.240 -8.754 4.731
99 HE3 MET 13 HE3 MET 13 7.297 -7.924 3.587
100 H TYR 14 H TYR 14 3.161 -2.188 4.458
101 HA TYR 14 HA TYR 14 3.976 0.265 5.652
102 HB2 TYR 14 HB2 TYR 14 1.701 -0.434 3.792
103 HB3 TYR 14 HB1 TYR 14 2.036 1.210 4.328
104 HD1 TYR 14 HD1 TYR 14 2.732 -1.254 1.878
105 HD2 TYR 14 HD2 TYR 14 4.438 2.096 3.871
106 HE1 TYR 14 HE1 TYR 14 4.351 -0.995 0.046
107 HE2 TYR 14 HE2 TYR 14 6.059 2.365 2.042
108 HH TYR 14 HH TYR 14 6.028 1.661 -0.566
109 H1 LEU 51 H1 LEU 51 -1.292 4.182 -16.755
110 H2 LEU 51 H2 LEU 51 -1.986 5.217 -15.575
111 H3 LEU 51 H3 LEU 51 -2.991 4.210 -16.536
112 HA LEU 51 HA LEU 51 -2.891 3.151 -14.529
113 HB2 LEU 51 HB1 LEU 51 -0.755 2.015 -16.340
114 HB3 LEU 51 HB2 LEU 51 -1.531 1.137 -15.035
115 HG LEU 51 HG LEU 51 -3.275 2.315 -17.140
116 HD11 LEU 51 HD11 LEU 51 -1.144 0.971 -18.044
117 HD12 LEU 51 HD12 LEU 51 -2.735 0.881 -18.801
118 HD13 LEU 51 HD13 LEU 51 -2.216 -0.385 -17.690
119 HD21 LEU 51 HD21 LEU 51 -4.266 -0.082 -16.698
120 HD22 LEU 51 HD22 LEU 51 -4.552 1.244 -15.570
121 HD23 LEU 51 HD23 LEU 51 -3.311 0.040 -15.222
122 HA PRO 52 HA PRO 52 0.244 4.252 -11.625
123 HB2 PRO 52 HB2 PRO 52 0.142 2.158 -9.902
124 HB3 PRO 52 HB1 PRO 52 -1.121 3.392 -9.987
125 HG2 PRO 52 HG2 PRO 52 -1.062 0.654 -11.199
126 HG3 PRO 52 HG1 PRO 52 -2.391 1.481 -10.364
127 HD2 PRO 52 HD2 PRO 52 -2.239 1.324 -13.063
128 HD3 PRO 52 HD1 PRO 52 -2.962 2.714 -12.226
129 H SER 53 H SER 53 2.349 3.711 -10.846
130 HA SER 53 HA SER 53 3.949 2.324 -12.715
131 HB2 SER 53 HB1 SER 53 4.894 2.922 -9.928
132 HB3 SER 53 HB2 SER 53 5.784 3.015 -11.446
133 HG SER 53 HG SER 53 4.740 4.893 -11.943
134 H ASP 54 H ASP 54 5.701 0.727 -11.676
135 HA ASP 54 HA ASP 54 4.128 -1.510 -10.612
136 HB2 ASP 54 HB1 ASP 54 5.677 -1.507 -12.794
137 HB3 ASP 54 HB2 ASP 54 6.904 -1.920 -11.600
138 H ASP 55 H ASP 55 5.009 0.588 -8.877
139 HA ASP 55 HA ASP 55 6.781 -0.971 -7.127
140 HB2 ASP 55 HB1 ASP 55 6.976 1.952 -7.826
141 HB3 ASP 55 HB2 ASP 55 7.673 1.309 -6.343
142 H LEU 56 H LEU 56 6.699 -0.078 -4.821
143 HA LEU 56 HA LEU 56 3.878 0.342 -4.144
144 HB2 LEU 56 HB1 LEU 56 6.227 -0.739 -2.617
145 HB3 LEU 56 HB2 LEU 56 4.760 -0.239 -1.797
146 HG LEU 56 HG LEU 56 4.798 -2.654 -2.169
147 HD11 LEU 56 HD11 LEU 56 2.718 -1.813 -4.085
148 HD12 LEU 56 HD12 LEU 56 2.698 -1.023 -2.508
149 HD13 LEU 56 HD13 LEU 56 2.590 -2.780 -2.615
150 HD21 LEU 56 HD21 LEU 56 4.701 -2.054 -5.118
151 HD22 LEU 56 HD22 LEU 56 4.813 -3.631 -4.335
152 HD23 LEU 56 HD23 LEU 56 6.177 -2.513 -4.266
153 H GLU 57 H GLU 57 5.565 2.509 -5.091
154 HA GLU 57 HA GLU 57 5.780 4.164 -2.669
155 HB2 GLU 57 HB1 GLU 57 7.248 5.623 -3.961
156 HB3 GLU 57 HB2 GLU 57 7.845 3.970 -3.984
157 HG2 GLU 57 HG1 GLU 57 6.682 3.728 -6.217
158 HG3 GLU 57 HG2 GLU 57 6.471 5.477 -6.185
159 H PHE 58 H PHE 58 4.430 4.032 -5.920
160 HA PHE 58 HA PHE 58 2.994 6.541 -5.462
161 HB2 PHE 58 HB2 PHE 58 4.152 6.257 -7.619
162 HB3 PHE 58 HB1 PHE 58 3.177 4.829 -7.951
163 HD1 PHE 58 HD1 PHE 58 3.307 8.440 -7.970
164 HD2 PHE 58 HD2 PHE 58 0.749 5.061 -8.354
165 HE1 PHE 58 HE1 PHE 58 1.591 9.864 -9.010
166 HE2 PHE 58 HE2 PHE 58 -0.973 6.479 -9.395
167 HZ PHE 58 HZ PHE 58 -0.552 8.884 -9.725
168 H TRP 59 H TRP 59 2.482 3.101 -5.810
169 HA TRP 59 HA TRP 59 -0.339 3.199 -6.112
170 HB2 TRP 59 HB2 TRP 59 1.475 1.241 -6.427
171 HB3 TRP 59 HB1 TRP 59 0.894 0.830 -4.817
172 HD1 TRP 59 HD1 TRP 59 0.137 0.224 -8.353
173 HE1 TRP 59 HE1 TRP 59 -2.210 -0.794 -8.632
174 HE3 TRP 59 HE3 TRP 59 -1.706 1.138 -3.673
175 HZ2 TRP 59 HZ2 TRP 59 -4.536 -1.161 -7.074
176 HZ3 TRP 59 HZ3 TRP 59 -4.001 0.421 -3.148
177 HH2 TRP 59 HH2 TRP 59 -5.385 -0.704 -4.815
178 H CYS 60 H CYS 60 1.647 2.245 -3.304
179 HA CYS 60 HA CYS 60 -0.574 2.353 -1.511
180 HB2 CYS 60 HB2 CYS 60 1.772 1.075 -1.394
181 HB3 CYS 60 HB1 CYS 60 2.210 2.505 -0.467
182 H HIS 61 H HIS 61 -1.155 4.599 -2.266
183 HA HIS 61 HA HIS 61 -0.589 6.453 -0.227
184 HB2 HIS 61 HB1 HIS 61 1.102 6.584 -2.646
185 HB3 HIS 61 HB2 HIS 61 0.399 8.116 -2.133
186 HD1 HIS 61 HD1 HIS 61 3.484 6.953 -1.944
187 HD2 HIS 61 HD2 HIS 61 0.778 7.690 1.122
188 HE1 HIS 61 HE1 HIS 61 4.881 7.280 0.121
189 HE2 HIS 61 HE2 HIS 61 3.219 7.640 1.978
190 H VAL 62 H VAL 62 -1.235 6.576 -3.736
191 HA VAL 62 HA VAL 62 -3.177 8.608 -3.566
192 HB VAL 62 HB VAL 62 -2.019 8.058 -5.660
193 HG11 VAL 62 HG11 VAL 62 -3.774 5.757 -6.239
194 HG12 VAL 62 HG21 VAL 62 -2.464 5.473 -5.091
195 HG13 VAL 62 HG13 VAL 62 -2.103 6.061 -6.714
196 HG21 VAL 62 HG12 VAL 62 -4.000 8.138 -7.157
197 HG22 VAL 62 HG22 VAL 62 -4.071 9.296 -5.828
198 HG23 VAL 62 HG23 VAL 62 -5.022 7.813 -5.758
199 H MET 63 H MET 63 -3.385 5.112 -3.352
200 HA MET 63 HA MET 63 -6.298 5.200 -3.279
201 HB2 MET 63 HB1 MET 63 -4.438 2.828 -3.055
202 HB3 MET 63 HB2 MET 63 -6.184 2.764 -3.253
203 HG2 MET 63 HG1 MET 63 -4.404 4.088 -5.268
204 HG3 MET 63 HG2 MET 63 -4.748 2.359 -5.310
205 HE1 MET 63 HE1 MET 63 -7.233 5.666 -7.011
206 HE2 MET 63 HE2 MET 63 -5.509 5.318 -7.128
207 HE3 MET 63 HE3 MET 63 -6.177 5.973 -5.632
208 H TYR 64 H TYR 64 -3.822 3.605 -1.264
209 HA TYR 64 HA TYR 64 -5.588 3.795 1.038
210 HB2 TYR 64 HB2 TYR 64 -2.885 2.484 0.687
211 HB3 TYR 64 HB1 TYR 64 -3.831 2.433 2.171
212 HD1 TYR 64 HD1 TYR 64 -6.137 1.349 2.079
213 HD2 TYR 64 HD2 TYR 64 -3.252 0.920 -1.020
214 HE1 TYR 64 HE1 TYR 64 -7.322 -0.644 1.258
215 HE2 TYR 64 HE2 TYR 64 -4.430 -1.074 -1.849
216 HH TYR 64 HH TYR 64 -5.977 -2.800 -0.961
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 -3.653 -7.357 -9.112
2 H2 LEU 1 H2 LEU 1 -2.411 -6.431 -9.849
3 H3 LEU 1 H3 LEU 1 -2.061 -7.406 -8.481
4 HA LEU 1 HA LEU 1 -3.039 -8.468 -11.040
5 HB2 LEU 1 HB1 LEU 1 -0.322 -7.725 -10.073
6 HB3 LEU 1 HB2 LEU 1 -0.480 -9.206 -11.001
7 HG LEU 1 HG LEU 1 -1.688 -6.723 -12.119
8 HD11 LEU 1 HD11 LEU 1 0.596 -6.347 -13.229
9 HD12 LEU 1 HD12 LEU 1 1.249 -7.271 -11.877
10 HD13 LEU 1 HD13 LEU 1 0.368 -5.772 -11.578
11 HD21 LEU 1 HD21 LEU 1 -2.067 -8.636 -13.413
12 HD22 LEU 1 HD22 LEU 1 -0.425 -9.233 -13.175
13 HD23 LEU 1 HD23 LEU 1 -0.713 -7.832 -14.207
14 HA PRO 2 HA PRO 2 -3.580 -12.346 -9.036
15 HB2 PRO 2 HB2 PRO 2 -1.676 -13.497 -11.020
16 HB3 PRO 2 HB1 PRO 2 -3.312 -14.014 -10.601
17 HG2 PRO 2 HG2 PRO 2 -2.847 -12.702 -12.868
18 HG3 PRO 2 HG1 PRO 2 -4.307 -12.382 -11.915
19 HD2 PRO 2 HD2 PRO 2 -1.817 -10.758 -12.175
20 HD3 PRO 2 HD1 PRO 2 -3.500 -10.224 -11.996
21 H SER 3 H SER 3 -0.314 -11.309 -9.791
22 HA SER 3 HA SER 3 1.114 -13.170 -8.259
23 HB2 SER 3 HB1 SER 3 2.894 -11.376 -8.195
24 HB3 SER 3 HB2 SER 3 2.307 -11.785 -9.808
25 HG SER 3 HG SER 3 2.303 -9.414 -8.597
26 H ASP 4 H ASP 4 0.750 -9.758 -7.326
27 HA ASP 4 HA ASP 4 0.377 -10.657 -4.543
28 HB2 ASP 4 HB1 ASP 4 2.098 -8.538 -5.720
29 HB3 ASP 4 HB2 ASP 4 1.333 -8.180 -4.176
30 H ASP 5 H ASP 5 -0.812 -9.117 -3.158
31 HA ASP 5 HA ASP 5 -3.018 -7.903 -4.671
32 HB2 ASP 5 HB1 ASP 5 -2.985 -8.590 -1.730
33 HB3 ASP 5 HB2 ASP 5 -4.384 -8.195 -2.724
34 H LEU 6 H LEU 6 -4.092 -6.218 -2.832
35 HA LEU 6 HA LEU 6 -1.947 -4.256 -2.352
36 HB2 LEU 6 HB1 LEU 6 -4.691 -3.921 -3.500
37 HB3 LEU 6 HB2 LEU 6 -3.940 -2.588 -2.641
38 HG LEU 6 HG LEU 6 -3.547 -2.283 -4.981
39 HD11 LEU 6 HD11 LEU 6 -1.676 -1.889 -3.303
40 HD12 LEU 6 HD12 LEU 6 -1.217 -2.011 -5.001
41 HD13 LEU 6 HD13 LEU 6 -0.963 -3.380 -3.919
42 HD21 LEU 6 HD21 LEU 6 -3.839 -4.803 -5.436
43 HD22 LEU 6 HD22 LEU 6 -2.102 -4.902 -5.149
44 HD23 LEU 6 HD23 LEU 6 -2.724 -3.888 -6.450
45 H GLU 7 H GLU 7 -5.118 -5.430 -1.306
46 HA GLU 7 HA GLU 7 -5.365 -3.857 1.000
47 HB2 GLU 7 HB1 GLU 7 -6.880 -5.744 1.789
48 HB3 GLU 7 HB2 GLU 7 -7.301 -4.989 0.258
49 HG2 GLU 7 HG1 GLU 7 -6.907 -6.856 -0.931
50 HG3 GLU 7 HG2 GLU 7 -5.540 -7.338 0.074
51 H PHE 8 H PHE 8 -3.599 -6.810 0.381
52 HA PHE 8 HA PHE 8 -2.960 -7.151 3.204
53 HB2 PHE 8 HB2 PHE 8 -3.480 -9.086 1.632
54 HB3 PHE 8 HB1 PHE 8 -1.910 -8.786 0.894
55 HD1 PHE 8 HD1 PHE 8 -3.618 -10.625 3.327
56 HD2 PHE 8 HD2 PHE 8 0.095 -8.673 2.606
57 HE1 PHE 8 HE1 PHE 8 -2.552 -12.026 5.045
58 HE2 PHE 8 HE2 PHE 8 1.167 -10.073 4.323
59 HZ PHE 8 HZ PHE 8 -0.157 -11.752 5.544
60 H TRP 9 H TRP 9 -1.396 -6.285 0.163
61 HA TRP 9 HA TRP 9 1.248 -6.186 1.143
62 HB2 TRP 9 HB2 TRP 9 0.147 -5.988 -1.321
63 HB3 TRP 9 HB1 TRP 9 0.508 -4.293 -1.010
64 HD1 TRP 9 HD1 TRP 9 2.052 -7.286 -2.415
65 HE1 TRP 9 HE1 TRP 9 4.607 -7.023 -2.592
66 HE3 TRP 9 HE3 TRP 9 2.655 -3.180 0.571
67 HZ2 TRP 9 HZ2 TRP 9 6.612 -5.302 -1.596
68 HZ3 TRP 9 HZ3 TRP 9 4.923 -2.288 0.907
69 HH2 TRP 9 HH2 TRP 9 6.861 -3.331 -0.155
70 H CYS 10 H CYS 10 -0.972 -3.485 0.411
71 HA CYS 10 HA CYS 10 0.640 -1.578 1.783
72 HB2 CYS 10 HB2 CYS 10 -2.276 -1.255 1.077
73 HB3 CYS 10 HB1 CYS 10 -1.064 0.007 1.264
74 H HIS 11 H HIS 11 0.779 -2.950 3.778
75 HA HIS 11 HA HIS 11 -0.721 -1.799 5.852
76 HB2 HIS 11 HB1 HIS 11 -2.314 -3.569 4.658
77 HB3 HIS 11 HB2 HIS 11 -1.437 -4.688 5.695
78 HD1 HIS 11 HD1 HIS 11 -2.626 -5.095 7.811
79 HD2 HIS 11 HD2 HIS 11 -3.265 -1.234 6.415
80 HE1 HIS 11 HE1 HIS 11 -4.154 -4.017 9.492
81 HE2 HIS 11 HE2 HIS 11 -4.596 -1.711 8.580
82 H VAL 12 H VAL 12 0.527 -5.087 5.240
83 HA VAL 12 HA VAL 12 1.854 -5.266 7.732
84 HB VAL 12 HB VAL 12 1.175 -7.255 6.461
85 HG11 VAL 12 HG11 VAL 12 1.867 -6.208 4.232
86 HG12 VAL 12 HG21 VAL 12 2.162 -7.934 4.450
87 HG13 VAL 12 HG13 VAL 12 3.490 -6.784 4.611
88 HG21 VAL 12 HG12 VAL 12 4.165 -7.322 6.713
89 HG22 VAL 12 HG22 VAL 12 2.997 -8.602 7.049
90 HG23 VAL 12 HG23 VAL 12 3.116 -7.211 8.127
91 H MET 13 H MET 13 2.975 -4.468 4.469
92 HA MET 13 HA MET 13 5.710 -4.158 5.291
93 HB2 MET 13 HB1 MET 13 4.250 -3.471 2.740
94 HB3 MET 13 HB2 MET 13 5.969 -3.180 2.972
95 HG2 MET 13 HG1 MET 13 4.823 -5.905 3.402
96 HG3 MET 13 HG2 MET 13 5.190 -5.329 1.776
97 HE1 MET 13 HE1 MET 13 7.748 -5.425 5.349
98 HE2 MET 13 HE2 MET 13 7.598 -7.122 4.898
99 HE3 MET 13 HE3 MET 13 6.151 -6.146 5.158
100 H TYR 14 H TYR 14 3.117 -1.930 4.303
101 HA TYR 14 HA TYR 14 4.713 0.337 5.219
102 HB2 TYR 14 HB2 TYR 14 2.210 0.060 3.584
103 HB3 TYR 14 HB1 TYR 14 2.620 1.605 4.324
104 HD1 TYR 14 HD1 TYR 14 4.378 2.966 3.448
105 HD2 TYR 14 HD2 TYR 14 3.697 -0.923 1.865
106 HE1 TYR 14 HE1 TYR 14 5.863 3.481 1.557
107 HE2 TYR 14 HE2 TYR 14 5.181 -0.419 -0.029
108 HH TYR 14 HH TYR 14 7.358 1.780 -0.126
109 H1 LEU 51 H1 LEU 51 -5.852 -0.626 -14.625
110 H2 LEU 51 H2 LEU 51 -5.250 -1.557 -13.315
111 H3 LEU 51 H3 LEU 51 -5.180 -2.176 -14.913
112 HA LEU 51 HA LEU 51 -3.669 -0.466 -15.546
113 HB2 LEU 51 HB1 LEU 51 -4.352 0.448 -12.797
114 HB3 LEU 51 HB2 LEU 51 -2.719 0.737 -13.365
115 HG LEU 51 HG LEU 51 -3.826 1.831 -15.415
116 HD11 LEU 51 HD11 LEU 51 -6.150 1.455 -13.583
117 HD12 LEU 51 HD12 LEU 51 -6.059 1.281 -15.336
118 HD13 LEU 51 HD13 LEU 51 -6.068 2.888 -14.609
119 HD21 LEU 51 HD21 LEU 51 -2.666 2.930 -13.414
120 HD22 LEU 51 HD22 LEU 51 -4.292 3.285 -12.833
121 HD23 LEU 51 HD23 LEU 51 -3.751 3.927 -14.384
122 HA PRO 52 HA PRO 52 -0.624 -3.456 -14.408
123 HB2 PRO 52 HB2 PRO 52 1.657 -2.131 -15.039
124 HB3 PRO 52 HB1 PRO 52 0.560 -2.786 -16.261
125 HG2 PRO 52 HG2 PRO 52 0.806 0.020 -15.243
126 HG3 PRO 52 HG1 PRO 52 0.609 -0.553 -16.910
127 HD2 PRO 52 HD2 PRO 52 -1.453 0.421 -15.450
128 HD3 PRO 52 HD1 PRO 52 -1.665 -0.849 -16.673
129 H SER 53 H SER 53 1.829 -3.221 -13.371
130 HA SER 53 HA SER 53 1.521 -1.659 -10.895
131 HB2 SER 53 HB1 SER 53 2.090 -4.575 -11.225
132 HB3 SER 53 HB2 SER 53 2.839 -3.716 -9.880
133 HG SER 53 HG SER 53 0.060 -3.618 -10.427
134 H ASP 54 H ASP 54 3.364 -0.746 -10.062
135 HA ASP 54 HA ASP 54 5.874 -1.219 -11.522
136 HB2 ASP 54 HB1 ASP 54 4.794 1.493 -10.719
137 HB3 ASP 54 HB2 ASP 54 6.347 1.188 -11.491
138 H ASP 55 H ASP 55 4.759 0.807 -8.805
139 HA ASP 55 HA ASP 55 6.717 -0.558 -7.087
140 HB2 ASP 55 HB1 ASP 55 6.328 2.409 -7.444
141 HB3 ASP 55 HB2 ASP 55 7.082 1.736 -6.002
142 H LEU 56 H LEU 56 6.318 0.267 -4.701
143 HA LEU 56 HA LEU 56 3.437 -0.060 -4.216
144 HB2 LEU 56 HB1 LEU 56 5.882 -0.856 -2.684
145 HB3 LEU 56 HB2 LEU 56 4.360 -0.636 -1.841
146 HG LEU 56 HG LEU 56 4.615 -2.965 -2.333
147 HD11 LEU 56 HD11 LEU 56 2.403 -1.570 -2.913
148 HD12 LEU 56 HD12 LEU 56 2.514 -3.322 -3.075
149 HD13 LEU 56 HD13 LEU 56 2.719 -2.290 -4.491
150 HD21 LEU 56 HD21 LEU 56 4.620 -2.582 -5.271
151 HD22 LEU 56 HD22 LEU 56 5.343 -3.856 -4.290
152 HD23 LEU 56 HD23 LEU 56 6.131 -2.283 -4.411
153 H GLU 57 H GLU 57 6.220 1.934 -3.524
154 HA GLU 57 HA GLU 57 5.180 3.476 -1.431
155 HB2 GLU 57 HB1 GLU 57 6.820 5.219 -2.228
156 HB3 GLU 57 HB2 GLU 57 7.507 3.631 -1.906
157 HG2 GLU 57 HG1 GLU 57 8.113 3.321 -4.038
158 HG3 GLU 57 HG2 GLU 57 6.633 4.040 -4.672
159 H PHE 58 H PHE 58 4.685 3.628 -4.887
160 HA PHE 58 HA PHE 58 3.265 6.159 -4.705
161 HB2 PHE 58 HB2 PHE 58 4.765 5.632 -6.638
162 HB3 PHE 58 HB1 PHE 58 3.635 4.368 -7.112
163 HD1 PHE 58 HD1 PHE 58 4.232 7.961 -6.937
164 HD2 PHE 58 HD2 PHE 58 1.465 4.921 -8.038
165 HE1 PHE 58 HE1 PHE 58 2.932 9.613 -8.216
166 HE2 PHE 58 HE2 PHE 58 0.161 6.567 -9.320
167 HZ PHE 58 HZ PHE 58 0.893 8.916 -9.410
168 H TRP 59 H TRP 59 2.608 2.742 -5.059
169 HA TRP 59 HA TRP 59 -0.150 3.047 -5.743
170 HB2 TRP 59 HB2 TRP 59 1.594 0.976 -5.892
171 HB3 TRP 59 HB1 TRP 59 0.708 0.538 -4.435
172 HD1 TRP 59 HD1 TRP 59 0.566 0.075 -8.046
173 HE1 TRP 59 HE1 TRP 59 -1.772 -0.694 -8.800
174 HE3 TRP 59 HE3 TRP 59 -2.052 1.133 -3.784
175 HZ2 TRP 59 HZ2 TRP 59 -4.380 -0.834 -7.731
176 HZ3 TRP 59 HZ3 TRP 59 -4.464 0.652 -3.732
177 HH2 TRP 59 HH2 TRP 59 -5.603 -0.310 -5.665
178 H CYS 60 H CYS 60 1.449 1.883 -2.771
179 HA CYS 60 HA CYS 60 -0.973 2.099 -1.248
180 HB2 CYS 60 HB2 CYS 60 1.825 1.746 -0.170
181 HB3 CYS 60 HB1 CYS 60 0.310 1.297 0.606
182 H HIS 61 H HIS 61 -1.228 4.430 -1.908
183 HA HIS 61 HA HIS 61 -0.745 6.106 0.288
184 HB2 HIS 61 HB1 HIS 61 1.579 5.933 -0.895
185 HB3 HIS 61 HB2 HIS 61 0.865 7.036 -2.068
186 HD1 HIS 61 HD1 HIS 61 -0.770 8.416 0.494
187 HD2 HIS 61 HD2 HIS 61 3.318 8.091 -0.180
188 HE1 HIS 61 HE1 HIS 61 0.283 10.250 1.853
189 HE2 HIS 61 HE2 HIS 61 2.763 9.979 1.497
190 H VAL 62 H VAL 62 -1.060 6.178 -3.255
191 HA VAL 62 HA VAL 62 -2.766 8.498 -3.181
192 HB VAL 62 HB VAL 62 -1.248 8.111 -5.079
193 HG11 VAL 62 HG11 VAL 62 -1.958 5.518 -4.947
194 HG12 VAL 62 HG21 VAL 62 -1.228 6.261 -6.370
195 HG13 VAL 62 HG13 VAL 62 -2.977 6.051 -6.285
196 HG21 VAL 62 HG12 VAL 62 -4.150 8.511 -5.364
197 HG22 VAL 62 HG22 VAL 62 -3.286 8.132 -6.854
198 HG23 VAL 62 HG23 VAL 62 -2.805 9.526 -5.886
199 H MET 63 H MET 63 -3.160 5.026 -3.425
200 HA MET 63 HA MET 63 -6.039 5.313 -3.848
201 HB2 MET 63 HB1 MET 63 -4.303 2.838 -3.773
202 HB3 MET 63 HB2 MET 63 -6.022 2.862 -4.140
203 HG2 MET 63 HG1 MET 63 -4.134 4.506 -5.761
204 HG3 MET 63 HG2 MET 63 -4.280 2.775 -6.059
205 HE1 MET 63 HE1 MET 63 -6.445 2.306 -8.382
206 HE2 MET 63 HE2 MET 63 -4.774 2.820 -8.146
207 HE3 MET 63 HE3 MET 63 -5.903 3.859 -9.017
208 H TYR 64 H TYR 64 -3.728 3.971 -1.526
209 HA TYR 64 HA TYR 64 -5.915 3.456 0.354
210 HB2 TYR 64 HB2 TYR 64 -3.075 2.519 0.149
211 HB3 TYR 64 HB1 TYR 64 -3.900 2.466 1.703
212 HD1 TYR 64 HD1 TYR 64 -5.506 0.785 2.179
213 HD2 TYR 64 HD2 TYR 64 -3.995 1.211 -1.775
214 HE1 TYR 64 HE1 TYR 64 -6.546 -1.355 1.557
215 HE2 TYR 64 HE2 TYR 64 -5.031 -0.927 -2.408
216 HH TYR 64 HH TYR 64 -5.792 -3.009 -1.281
Start of MODEL 11
1 H1 LEU 1 H1 LEU 1 0.004 -18.812 -11.887
2 H2 LEU 1 H2 LEU 1 0.902 -18.849 -13.350
3 H3 LEU 1 H3 LEU 1 -0.644 -18.105 -13.308
4 HA LEU 1 HA LEU 1 1.724 -17.214 -11.805
5 HB2 LEU 1 HB1 LEU 1 1.432 -17.070 -14.468
6 HB3 LEU 1 HB2 LEU 1 0.505 -15.653 -14.017
7 HG LEU 1 HG LEU 1 2.501 -14.817 -12.767
8 HD11 LEU 1 HD11 LEU 1 3.609 -17.372 -13.805
9 HD12 LEU 1 HD12 LEU 1 3.872 -16.572 -12.256
10 HD13 LEU 1 HD13 LEU 1 4.672 -15.969 -13.707
11 HD21 LEU 1 HD21 LEU 1 2.342 -15.192 -15.695
12 HD22 LEU 1 HD22 LEU 1 3.877 -14.613 -15.048
13 HD23 LEU 1 HD23 LEU 1 2.395 -13.710 -14.740
14 HA PRO 2 HA PRO 2 -2.039 -15.529 -9.758
15 HB2 PRO 2 HB2 PRO 2 -0.913 -15.353 -7.297
16 HB3 PRO 2 HB1 PRO 2 -1.629 -16.844 -7.920
17 HG2 PRO 2 HG2 PRO 2 1.249 -16.024 -7.816
18 HG3 PRO 2 HG1 PRO 2 0.518 -17.595 -7.434
19 HD2 PRO 2 HD2 PRO 2 1.748 -17.097 -9.794
20 HD3 PRO 2 HD1 PRO 2 0.372 -18.208 -9.651
21 H SER 3 H SER 3 -2.003 -13.612 -8.021
22 HA SER 3 HA SER 3 -0.014 -11.617 -8.852
23 HB2 SER 3 HB1 SER 3 -2.917 -10.884 -8.526
24 HB3 SER 3 HB2 SER 3 -1.633 -9.970 -9.318
25 HG SER 3 HG SER 3 -1.677 -11.393 -11.014
26 H ASP 4 H ASP 4 -0.070 -9.657 -7.407
27 HA ASP 4 HA ASP 4 -0.325 -10.565 -4.636
28 HB2 ASP 4 HB1 ASP 4 1.191 -8.293 -5.918
29 HB3 ASP 4 HB2 ASP 4 1.018 -8.446 -4.173
30 H ASP 5 H ASP 5 -1.654 -9.625 -3.170
31 HA ASP 5 HA ASP 5 -3.604 -7.711 -4.215
32 HB2 ASP 5 HB1 ASP 5 -3.642 -9.293 -1.635
33 HB3 ASP 5 HB2 ASP 5 -4.961 -8.315 -2.271
34 H LEU 6 H LEU 6 -3.862 -5.682 -3.433
35 HA LEU 6 HA LEU 6 -1.712 -4.507 -1.983
36 HB2 LEU 6 HB1 LEU 6 -4.303 -3.542 -3.107
37 HB3 LEU 6 HB2 LEU 6 -3.462 -2.532 -1.948
38 HG LEU 6 HG LEU 6 -2.936 -1.888 -4.248
39 HD11 LEU 6 HD11 LEU 6 -0.781 -1.416 -3.783
40 HD12 LEU 6 HD12 LEU 6 -0.382 -3.091 -3.396
41 HD13 LEU 6 HD13 LEU 6 -1.206 -2.082 -2.207
42 HD21 LEU 6 HD21 LEU 6 -3.198 -3.946 -5.419
43 HD22 LEU 6 HD22 LEU 6 -1.937 -4.721 -4.462
44 HD23 LEU 6 HD23 LEU 6 -1.518 -3.445 -5.606
45 H GLU 7 H GLU 7 -4.894 -5.674 -1.139
46 HA GLU 7 HA GLU 7 -5.217 -4.406 1.336
47 HB2 GLU 7 HB1 GLU 7 -6.820 -6.167 1.850
48 HB3 GLU 7 HB2 GLU 7 -7.017 -5.627 0.189
49 HG2 GLU 7 HG1 GLU 7 -5.714 -7.581 -0.566
50 HG3 GLU 7 HG2 GLU 7 -5.635 -8.138 1.105
51 H PHE 8 H PHE 8 -3.402 -7.256 0.410
52 HA PHE 8 HA PHE 8 -2.757 -7.879 3.180
53 HB2 PHE 8 HB2 PHE 8 -3.240 -9.681 1.507
54 HB3 PHE 8 HB1 PHE 8 -1.762 -9.228 0.663
55 HD1 PHE 8 HD1 PHE 8 -3.162 -11.321 3.120
56 HD2 PHE 8 HD2 PHE 8 0.407 -9.235 2.111
57 HE1 PHE 8 HE1 PHE 8 -1.876 -12.823 4.583
58 HE2 PHE 8 HE2 PHE 8 1.701 -10.734 3.571
59 HZ PHE 8 HZ PHE 8 0.560 -12.531 4.810
60 H TRP 9 H TRP 9 -1.060 -6.947 0.197
61 HA TRP 9 HA TRP 9 1.504 -6.759 1.360
62 HB2 TRP 9 HB2 TRP 9 0.612 -6.693 -1.176
63 HB3 TRP 9 HB1 TRP 9 0.849 -4.969 -0.916
64 HD1 TRP 9 HD1 TRP 9 2.682 -7.991 -1.946
65 HE1 TRP 9 HE1 TRP 9 5.217 -7.550 -1.987
66 HE3 TRP 9 HE3 TRP 9 2.778 -3.560 0.605
67 HZ2 TRP 9 HZ2 TRP 9 7.020 -5.585 -1.059
68 HZ3 TRP 9 HZ3 TRP 9 4.949 -2.467 0.987
69 HH2 TRP 9 HH2 TRP 9 7.025 -3.460 0.171
70 H CYS 10 H CYS 10 -0.924 -4.262 0.628
71 HA CYS 10 HA CYS 10 0.623 -2.248 2.022
72 HB2 CYS 10 HB2 CYS 10 -1.015 -2.055 -0.093
73 HB3 CYS 10 HB1 CYS 10 -2.176 -1.702 1.183
74 H HIS 11 H HIS 11 0.511 -3.571 4.047
75 HA HIS 11 HA HIS 11 -1.244 -2.392 5.888
76 HB2 HIS 11 HB1 HIS 11 -2.635 -4.242 4.515
77 HB3 HIS 11 HB2 HIS 11 -1.943 -5.275 5.762
78 HD1 HIS 11 HD1 HIS 11 -3.978 -5.685 7.171
79 HD2 HIS 11 HD2 HIS 11 -3.342 -1.647 6.422
80 HE1 HIS 11 HE1 HIS 11 -5.631 -4.462 8.621
81 HE2 HIS 11 HE2 HIS 11 -5.284 -2.025 8.087
82 H VAL 12 H VAL 12 0.592 -5.339 5.168
83 HA VAL 12 HA VAL 12 1.395 -5.673 7.919
84 HB VAL 12 HB VAL 12 1.057 -7.631 6.469
85 HG11 VAL 12 HG11 VAL 12 3.617 -7.229 5.051
86 HG12 VAL 12 HG21 VAL 12 2.256 -6.244 4.511
87 HG13 VAL 12 HG13 VAL 12 2.127 -8.004 4.513
88 HG21 VAL 12 HG12 VAL 12 3.611 -8.467 6.849
89 HG22 VAL 12 HG22 VAL 12 2.383 -8.405 8.113
90 HG23 VAL 12 HG23 VAL 12 3.539 -7.085 7.943
91 H MET 13 H MET 13 2.758 -4.364 4.966
92 HA MET 13 HA MET 13 5.349 -3.938 6.230
93 HB2 MET 13 HB1 MET 13 4.516 -3.045 3.474
94 HB3 MET 13 HB2 MET 13 6.145 -3.296 4.081
95 HG2 MET 13 HG1 MET 13 4.094 -5.455 3.641
96 HG3 MET 13 HG2 MET 13 5.433 -5.073 2.562
97 HE1 MET 13 HE1 MET 13 6.757 -7.352 2.537
98 HE2 MET 13 HE2 MET 13 5.222 -7.914 3.197
99 HE3 MET 13 HE3 MET 13 6.739 -8.423 3.937
100 H TYR 14 H TYR 14 2.785 -1.991 4.714
101 HA TYR 14 HA TYR 14 3.946 0.436 5.840
102 HB2 TYR 14 HB2 TYR 14 1.644 -0.023 3.937
103 HB3 TYR 14 HB1 TYR 14 2.102 1.565 4.542
104 HD1 TYR 14 HD1 TYR 14 4.483 2.374 4.057
105 HD2 TYR 14 HD2 TYR 14 2.698 -0.927 2.053
106 HE1 TYR 14 HE1 TYR 14 6.127 2.594 2.241
107 HE2 TYR 14 HE2 TYR 14 4.336 -0.718 0.234
108 HH TYR 14 HH TYR 14 7.124 0.845 0.438
109 H1 LEU 51 H1 LEU 51 0.521 0.703 -16.260
110 H2 LEU 51 H2 LEU 51 0.625 1.492 -14.738
111 H3 LEU 51 H3 LEU 51 -0.720 0.486 -15.098
112 HA LEU 51 HA LEU 51 0.899 -1.361 -15.363
113 HB2 LEU 51 HB1 LEU 51 2.595 0.868 -14.326
114 HB3 LEU 51 HB2 LEU 51 2.948 -0.768 -13.803
115 HG LEU 51 HG LEU 51 2.757 -0.040 -16.716
116 HD11 LEU 51 HD11 LEU 51 4.979 0.389 -14.791
117 HD12 LEU 51 HD12 LEU 51 4.500 1.338 -16.199
118 HD13 LEU 51 HD13 LEU 51 5.371 -0.180 -16.415
119 HD21 LEU 51 HD21 LEU 51 4.286 -2.252 -15.369
120 HD22 LEU 51 HD22 LEU 51 3.918 -2.069 -17.084
121 HD23 LEU 51 HD23 LEU 51 2.629 -2.437 -15.940
122 HA PRO 52 HA PRO 52 -1.441 -1.366 -11.393
123 HB2 PRO 52 HB2 PRO 52 -2.620 -3.774 -11.810
124 HB3 PRO 52 HB1 PRO 52 -3.268 -2.265 -12.465
125 HG2 PRO 52 HG2 PRO 52 -1.604 -4.357 -13.815
126 HG3 PRO 52 HG1 PRO 52 -3.026 -3.492 -14.427
127 HD2 PRO 52 HD2 PRO 52 -0.497 -2.807 -15.114
128 HD3 PRO 52 HD1 PRO 52 -1.805 -1.616 -14.977
129 H SER 53 H SER 53 -0.437 -2.001 -9.600
130 HA SER 53 HA SER 53 0.872 -3.150 -8.138
131 HB2 SER 53 HB1 SER 53 0.160 -5.493 -9.920
132 HB3 SER 53 HB2 SER 53 0.891 -5.618 -8.320
133 HG SER 53 HG SER 53 -1.636 -4.467 -8.918
134 H ASP 54 H ASP 54 2.691 -1.916 -8.919
135 HA ASP 54 HA ASP 54 4.709 -3.647 -10.152
136 HB2 ASP 54 HB1 ASP 54 3.670 -2.024 -11.834
137 HB3 ASP 54 HB2 ASP 54 4.456 -0.741 -10.919
138 H ASP 55 H ASP 55 4.161 -0.493 -8.592
139 HA ASP 55 HA ASP 55 6.532 -1.005 -6.931
140 HB2 ASP 55 HB1 ASP 55 5.799 1.676 -8.127
141 HB3 ASP 55 HB2 ASP 55 7.180 1.343 -7.085
142 H LEU 56 H LEU 56 6.441 -0.246 -4.819
143 HA LEU 56 HA LEU 56 3.740 0.403 -3.887
144 HB2 LEU 56 HB1 LEU 56 6.175 -0.721 -2.528
145 HB3 LEU 56 HB2 LEU 56 4.813 -0.107 -1.611
146 HG LEU 56 HG LEU 56 4.791 -2.574 -1.906
147 HD11 LEU 56 HD11 LEU 56 2.675 -1.950 -1.420
148 HD12 LEU 56 HD12 LEU 56 2.388 -2.472 -3.080
149 HD13 LEU 56 HD13 LEU 56 2.609 -0.760 -2.720
150 HD21 LEU 56 HD21 LEU 56 4.328 -3.552 -4.040
151 HD22 LEU 56 HD22 LEU 56 5.766 -2.544 -4.199
152 HD23 LEU 56 HD23 LEU 56 4.212 -1.964 -4.798
153 H GLU 57 H GLU 57 5.449 2.397 -5.137
154 HA GLU 57 HA GLU 57 5.999 4.174 -2.858
155 HB2 GLU 57 HB1 GLU 57 7.290 5.516 -4.579
156 HB3 GLU 57 HB2 GLU 57 7.962 3.944 -4.165
157 HG2 GLU 57 HG1 GLU 57 7.689 3.139 -6.234
158 HG3 GLU 57 HG2 GLU 57 6.120 3.916 -6.441
159 H PHE 58 H PHE 58 4.212 3.836 -5.844
160 HA PHE 58 HA PHE 58 2.958 6.457 -5.380
161 HB2 PHE 58 HB2 PHE 58 4.021 6.188 -7.586
162 HB3 PHE 58 HB1 PHE 58 3.008 4.784 -7.901
163 HD1 PHE 58 HD1 PHE 58 0.858 5.024 -8.789
164 HD2 PHE 58 HD2 PHE 58 2.912 8.432 -7.281
165 HE1 PHE 58 HE1 PHE 58 -0.879 6.487 -9.739
166 HE2 PHE 58 HE2 PHE 58 1.180 9.901 -8.227
167 HZ PHE 58 HZ PHE 58 -0.719 8.928 -9.457
168 H TRP 59 H TRP 59 2.367 3.034 -5.764
169 HA TRP 59 HA TRP 59 -0.444 3.140 -5.999
170 HB2 TRP 59 HB2 TRP 59 1.401 1.156 -6.181
171 HB3 TRP 59 HB1 TRP 59 0.709 0.806 -4.600
172 HD1 TRP 59 HD1 TRP 59 0.206 -0.004 -8.112
173 HE1 TRP 59 HE1 TRP 59 -2.151 -0.948 -8.530
174 HE3 TRP 59 HE3 TRP 59 -2.002 1.342 -3.702
175 HZ2 TRP 59 HZ2 TRP 59 -4.620 -1.102 -7.171
176 HZ3 TRP 59 HZ3 TRP 59 -4.365 0.759 -3.340
177 HH2 TRP 59 HH2 TRP 59 -5.646 -0.437 -5.039
178 H CYS 60 H CYS 60 1.545 2.285 -3.160
179 HA CYS 60 HA CYS 60 -0.699 2.591 -1.386
180 HB2 CYS 60 HB2 CYS 60 2.214 1.950 -0.992
181 HB3 CYS 60 HB1 CYS 60 1.157 2.264 0.380
182 H HIS 61 H HIS 61 -1.102 4.853 -2.072
183 HA HIS 61 HA HIS 61 -0.287 6.667 -0.095
184 HB2 HIS 61 HB1 HIS 61 1.739 6.402 -1.852
185 HB3 HIS 61 HB2 HIS 61 0.814 7.663 -2.661
186 HD1 HIS 61 HD1 HIS 61 1.811 9.850 -2.118
187 HD2 HIS 61 HD2 HIS 61 1.850 7.290 1.155
188 HE1 HIS 61 HE1 HIS 61 2.798 11.186 -0.231
189 HE2 HIS 61 HE2 HIS 61 2.733 9.644 1.760
190 H VAL 62 H VAL 62 -1.208 6.522 -3.529
191 HA VAL 62 HA VAL 62 -2.937 8.815 -3.287
192 HB VAL 62 HB VAL 62 -1.746 8.359 -5.390
193 HG11 VAL 62 HG11 VAL 62 -1.900 6.448 -6.586
194 HG12 VAL 62 HG21 VAL 62 -3.595 6.194 -6.169
195 HG13 VAL 62 HG13 VAL 62 -2.329 5.765 -5.018
196 HG21 VAL 62 HG12 VAL 62 -3.443 9.685 -6.028
197 HG22 VAL 62 HG22 VAL 62 -4.652 8.715 -5.187
198 HG23 VAL 62 HG23 VAL 62 -4.079 8.221 -6.778
199 H MET 63 H MET 63 -3.271 5.325 -3.309
200 HA MET 63 HA MET 63 -6.185 5.527 -3.266
201 HB2 MET 63 HB1 MET 63 -4.358 3.121 -3.354
202 HB3 MET 63 HB2 MET 63 -6.113 3.044 -3.367
203 HG2 MET 63 HG1 MET 63 -4.441 4.426 -5.452
204 HG3 MET 63 HG2 MET 63 -5.094 2.796 -5.599
205 HE1 MET 63 HE1 MET 63 -8.873 3.414 -5.294
206 HE2 MET 63 HE2 MET 63 -7.507 2.412 -4.806
207 HE3 MET 63 HE3 MET 63 -7.971 2.501 -6.505
208 H TYR 64 H TYR 64 -3.480 4.531 -1.237
209 HA TYR 64 HA TYR 64 -5.336 4.064 0.989
210 HB2 TYR 64 HB2 TYR 64 -2.456 3.254 0.574
211 HB3 TYR 64 HB1 TYR 64 -3.309 3.043 2.100
212 HD1 TYR 64 HD1 TYR 64 -2.597 1.625 -1.093
213 HD2 TYR 64 HD2 TYR 64 -5.451 1.625 2.062
214 HE1 TYR 64 HE1 TYR 64 -3.467 -0.533 -1.889
215 HE2 TYR 64 HE2 TYR 64 -6.329 -0.533 1.276
216 HH TYR 64 HH TYR 64 -5.582 -2.453 -0.048
Start of MODEL 12
1 H1 LEU 1 H1 LEU 1 -0.545 -19.528 -7.656
2 H2 LEU 1 H2 LEU 1 -0.413 -20.936 -6.685
3 H3 LEU 1 H3 LEU 1 0.164 -19.430 -6.098
4 HA LEU 1 HA LEU 1 -2.593 -20.333 -6.500
5 HB2 LEU 1 HB1 LEU 1 -0.808 -19.503 -4.263
6 HB3 LEU 1 HB2 LEU 1 -2.520 -19.150 -4.119
7 HG LEU 1 HG LEU 1 -2.775 -21.704 -4.727
8 HD11 LEU 1 HD11 LEU 1 -0.502 -22.233 -5.163
9 HD12 LEU 1 HD12 LEU 1 -0.924 -22.988 -3.626
10 HD13 LEU 1 HD13 LEU 1 0.026 -21.502 -3.648
11 HD21 LEU 1 HD21 LEU 1 -3.339 -21.995 -2.560
12 HD22 LEU 1 HD22 LEU 1 -3.091 -20.251 -2.490
13 HD23 LEU 1 HD23 LEU 1 -1.813 -21.346 -1.960
14 HA PRO 2 HA PRO 2 -3.819 -16.276 -7.741
15 HB2 PRO 2 HB2 PRO 2 -6.326 -16.157 -6.713
16 HB3 PRO 2 HB1 PRO 2 -5.911 -17.152 -8.114
17 HG2 PRO 2 HG2 PRO 2 -6.223 -17.957 -5.247
18 HG3 PRO 2 HG1 PRO 2 -6.801 -18.778 -6.708
19 HD2 PRO 2 HD2 PRO 2 -4.565 -19.550 -5.390
20 HD3 PRO 2 HD1 PRO 2 -4.743 -19.715 -7.150
21 H SER 3 H SER 3 -2.081 -15.787 -5.879
22 HA SER 3 HA SER 3 -3.422 -14.253 -3.758
23 HB2 SER 3 HB1 SER 3 -1.598 -16.100 -3.313
24 HB3 SER 3 HB2 SER 3 -0.479 -14.802 -3.732
25 HG SER 3 HG SER 3 -0.841 -13.938 -1.860
26 H ASP 4 H ASP 4 -3.856 -12.349 -4.822
27 HA ASP 4 HA ASP 4 -1.586 -10.599 -5.220
28 HB2 ASP 4 HB1 ASP 4 -2.231 -11.882 -7.436
29 HB3 ASP 4 HB2 ASP 4 -3.519 -10.683 -7.501
30 H ASP 5 H ASP 5 -2.415 -9.380 -3.533
31 HA ASP 5 HA ASP 5 -4.716 -7.724 -4.248
32 HB2 ASP 5 HB1 ASP 5 -4.441 -9.346 -1.727
33 HB3 ASP 5 HB2 ASP 5 -5.436 -7.895 -1.780
34 H LEU 6 H LEU 6 -4.881 -5.773 -2.855
35 HA LEU 6 HA LEU 6 -2.190 -4.789 -2.244
36 HB2 LEU 6 HB1 LEU 6 -4.758 -3.513 -3.055
37 HB3 LEU 6 HB2 LEU 6 -3.630 -2.568 -2.102
38 HG LEU 6 HG LEU 6 -3.411 -2.191 -4.538
39 HD11 LEU 6 HD11 LEU 6 -1.450 -1.577 -3.587
40 HD12 LEU 6 HD12 LEU 6 -0.852 -2.949 -4.522
41 HD13 LEU 6 HD13 LEU 6 -1.211 -3.141 -2.806
42 HD21 LEU 6 HD21 LEU 6 -3.959 -4.599 -5.110
43 HD22 LEU 6 HD22 LEU 6 -2.287 -4.975 -4.693
44 HD23 LEU 6 HD23 LEU 6 -2.636 -3.859 -6.013
45 H GLU 7 H GLU 7 -5.316 -5.380 -0.801
46 HA GLU 7 HA GLU 7 -5.024 -3.915 1.566
47 HB2 GLU 7 HB1 GLU 7 -6.670 -5.570 2.509
48 HB3 GLU 7 HB2 GLU 7 -7.173 -4.788 1.017
49 HG2 GLU 7 HG1 GLU 7 -7.210 -6.708 -0.130
50 HG3 GLU 7 HG2 GLU 7 -5.743 -7.315 0.639
51 H PHE 8 H PHE 8 -3.761 -7.027 0.601
52 HA PHE 8 HA PHE 8 -2.886 -7.728 3.261
53 HB2 PHE 8 HB2 PHE 8 -3.560 -9.419 1.529
54 HB3 PHE 8 HB1 PHE 8 -2.099 -9.006 0.636
55 HD1 PHE 8 HD1 PHE 8 0.092 -9.632 1.475
56 HD2 PHE 8 HD2 PHE 8 -3.460 -10.698 3.563
57 HE1 PHE 8 HE1 PHE 8 1.366 -11.268 2.801
58 HE2 PHE 8 HE2 PHE 8 -2.192 -12.334 4.894
59 HZ PHE 8 HZ PHE 8 0.224 -12.620 4.513
60 H TRP 9 H TRP 9 -1.399 -6.565 0.265
61 HA TRP 9 HA TRP 9 1.263 -6.596 1.281
62 HB2 TRP 9 HB2 TRP 9 0.280 -6.455 -1.202
63 HB3 TRP 9 HB1 TRP 9 0.529 -4.735 -0.921
64 HD1 TRP 9 HD1 TRP 9 2.316 -7.748 -2.067
65 HE1 TRP 9 HE1 TRP 9 4.846 -7.301 -2.222
66 HE3 TRP 9 HE3 TRP 9 2.522 -3.337 0.510
67 HZ2 TRP 9 HZ2 TRP 9 6.686 -5.339 -1.366
68 HZ3 TRP 9 HZ3 TRP 9 4.706 -2.240 0.796
69 HH2 TRP 9 HH2 TRP 9 6.744 -3.223 -0.122
70 H CYS 10 H CYS 10 -1.040 -3.949 0.654
71 HA CYS 10 HA CYS 10 0.627 -2.023 1.986
72 HB2 CYS 10 HB2 CYS 10 -1.216 -1.758 0.064
73 HB3 CYS 10 HB1 CYS 10 -2.239 -1.433 1.457
74 H HIS 11 H HIS 11 0.654 -3.507 3.954
75 HA HIS 11 HA HIS 11 -0.787 -2.299 6.033
76 HB2 HIS 11 HB1 HIS 11 -2.683 -3.567 5.075
77 HB3 HIS 11 HB2 HIS 11 -1.783 -5.063 5.308
78 HD1 HIS 11 HD1 HIS 11 -2.528 -2.162 7.667
79 HD2 HIS 11 HD2 HIS 11 -2.867 -6.297 7.446
80 HE1 HIS 11 HE1 HIS 11 -3.472 -2.878 9.886
81 HE2 HIS 11 HE2 HIS 11 -3.749 -5.376 9.696
82 H VAL 12 H VAL 12 0.719 -5.328 4.976
83 HA VAL 12 HA VAL 12 1.761 -5.915 7.593
84 HB VAL 12 HB VAL 12 1.199 -7.726 6.032
85 HG11 VAL 12 HG11 VAL 12 2.322 -6.207 4.099
86 HG12 VAL 12 HG21 VAL 12 2.011 -7.936 3.943
87 HG13 VAL 12 HG13 VAL 12 3.617 -7.366 4.397
88 HG21 VAL 12 HG12 VAL 12 2.761 -8.283 7.736
89 HG22 VAL 12 HG22 VAL 12 4.088 -7.519 6.860
90 HG23 VAL 12 HG23 VAL 12 3.357 -8.999 6.238
91 H MET 13 H MET 13 2.910 -4.357 4.682
92 HA MET 13 HA MET 13 5.618 -4.159 5.765
93 HB2 MET 13 HB1 MET 13 4.571 -3.205 3.096
94 HB3 MET 13 HB2 MET 13 6.256 -3.317 3.582
95 HG2 MET 13 HG1 MET 13 4.653 -5.797 3.708
96 HG3 MET 13 HG2 MET 13 5.044 -5.170 2.109
97 HE1 MET 13 HE1 MET 13 7.889 -7.030 5.161
98 HE2 MET 13 HE2 MET 13 6.189 -7.431 4.909
99 HE3 MET 13 HE3 MET 13 6.634 -5.880 5.623
100 H TYR 14 H TYR 14 3.122 -2.000 4.416
101 HA TYR 14 HA TYR 14 4.436 0.302 5.614
102 HB2 TYR 14 HB2 TYR 14 2.131 -0.049 3.717
103 HB3 TYR 14 HB1 TYR 14 2.413 1.495 4.514
104 HD1 TYR 14 HD1 TYR 14 3.440 -0.729 1.865
105 HD2 TYR 14 HD2 TYR 14 4.576 2.700 4.113
106 HE1 TYR 14 HE1 TYR 14 5.085 -0.147 0.133
107 HE2 TYR 14 HE2 TYR 14 6.224 3.293 2.387
108 HH TYR 14 HH TYR 14 6.468 2.802 -0.172
109 H1 LEU 51 H1 LEU 51 7.718 5.678 -20.104
110 H2 LEU 51 H2 LEU 51 8.653 4.879 -18.906
111 H3 LEU 51 H3 LEU 51 7.810 6.324 -18.520
112 HA LEU 51 HA LEU 51 5.729 5.237 -18.906
113 HB2 LEU 51 HB1 LEU 51 7.431 2.764 -19.238
114 HB3 LEU 51 HB2 LEU 51 5.681 2.842 -19.305
115 HG LEU 51 HG LEU 51 6.189 4.529 -21.291
116 HD11 LEU 51 HD11 LEU 51 8.423 2.659 -21.816
117 HD12 LEU 51 HD12 LEU 51 8.729 3.997 -20.706
118 HD13 LEU 51 HD13 LEU 51 8.182 4.322 -22.352
119 HD21 LEU 51 HD21 LEU 51 5.924 2.671 -22.833
120 HD22 LEU 51 HD22 LEU 51 4.879 2.460 -21.427
121 HD23 LEU 51 HD23 LEU 51 6.373 1.531 -21.562
122 HA PRO 52 HA PRO 52 5.892 4.481 -14.561
123 HB2 PRO 52 HB2 PRO 52 3.602 3.080 -14.167
124 HB3 PRO 52 HB1 PRO 52 3.618 4.812 -14.525
125 HG2 PRO 52 HG2 PRO 52 3.123 2.501 -16.364
126 HG3 PRO 52 HG1 PRO 52 2.265 4.050 -16.256
127 HD2 PRO 52 HD2 PRO 52 4.136 3.551 -18.147
128 HD3 PRO 52 HD1 PRO 52 3.873 5.170 -17.468
129 H SER 53 H SER 53 6.116 2.830 -12.939
130 HA SER 53 HA SER 53 6.559 0.117 -13.975
131 HB2 SER 53 HB1 SER 53 8.574 0.068 -12.346
132 HB3 SER 53 HB2 SER 53 8.772 0.889 -13.894
133 HG SER 53 HG SER 53 8.752 1.914 -11.337
134 H ASP 54 H ASP 54 6.352 -1.563 -12.435
135 HA ASP 54 HA ASP 54 4.307 -1.204 -10.552
136 HB2 ASP 54 HB1 ASP 54 5.308 -3.364 -11.738
137 HB3 ASP 54 HB2 ASP 54 6.202 -3.481 -10.225
138 H ASP 55 H ASP 55 4.595 0.194 -8.909
139 HA ASP 55 HA ASP 55 6.808 -0.367 -7.054
140 HB2 ASP 55 HB1 ASP 55 5.929 2.285 -8.163
141 HB3 ASP 55 HB2 ASP 55 6.705 2.190 -6.585
142 H LEU 56 H LEU 56 6.397 0.522 -4.849
143 HA LEU 56 HA LEU 56 3.541 0.254 -4.191
144 HB2 LEU 56 HB1 LEU 56 6.042 -0.599 -2.816
145 HB3 LEU 56 HB2 LEU 56 4.658 -0.172 -1.826
146 HG LEU 56 HG LEU 56 4.838 -2.603 -2.278
147 HD11 LEU 56 HD11 LEU 56 2.484 -0.956 -2.992
148 HD12 LEU 56 HD12 LEU 56 2.685 -2.163 -1.720
149 HD13 LEU 56 HD13 LEU 56 2.420 -2.673 -3.388
150 HD21 LEU 56 HD21 LEU 56 4.256 -1.798 -5.126
151 HD22 LEU 56 HD22 LEU 56 4.314 -3.447 -4.505
152 HD23 LEU 56 HD23 LEU 56 5.777 -2.464 -4.531
153 H GLU 57 H GLU 57 6.409 2.200 -3.760
154 HA GLU 57 HA GLU 57 5.530 3.881 -1.701
155 HB2 GLU 57 HB1 GLU 57 7.186 5.508 -2.611
156 HB3 GLU 57 HB2 GLU 57 7.840 3.894 -2.372
157 HG2 GLU 57 HG1 GLU 57 7.055 3.709 -4.937
158 HG3 GLU 57 HG2 GLU 57 7.434 5.429 -4.846
159 H PHE 58 H PHE 58 4.858 3.875 -5.133
160 HA PHE 58 HA PHE 58 3.471 6.434 -4.970
161 HB2 PHE 58 HB2 PHE 58 4.904 5.938 -6.930
162 HB3 PHE 58 HB1 PHE 58 3.849 4.589 -7.339
163 HD1 PHE 58 HD1 PHE 58 1.451 5.070 -7.933
164 HD2 PHE 58 HD2 PHE 58 4.400 8.122 -7.607
165 HE1 PHE 58 HE1 PHE 58 0.024 6.584 -9.245
166 HE2 PHE 58 HE2 PHE 58 2.977 9.641 -8.920
167 HZ PHE 58 HZ PHE 58 0.786 8.873 -9.741
168 H TRP 59 H TRP 59 2.801 3.008 -5.366
169 HA TRP 59 HA TRP 59 0.046 3.277 -5.980
170 HB2 TRP 59 HB2 TRP 59 1.786 1.207 -6.046
171 HB3 TRP 59 HB1 TRP 59 0.924 0.835 -4.557
172 HD1 TRP 59 HD1 TRP 59 0.716 0.274 -8.171
173 HE1 TRP 59 HE1 TRP 59 -1.620 -0.571 -8.842
174 HE3 TRP 59 HE3 TRP 59 -1.805 1.342 -3.853
175 HZ2 TRP 59 HZ2 TRP 59 -4.192 -0.760 -7.692
176 HZ3 TRP 59 HZ3 TRP 59 -4.201 0.798 -3.721
177 HH2 TRP 59 HH2 TRP 59 -5.368 -0.231 -5.603
178 H CYS 60 H CYS 60 1.736 2.464 -2.951
179 HA CYS 60 HA CYS 60 -0.682 2.572 -1.409
180 HB2 CYS 60 HB2 CYS 60 2.221 2.181 -0.783
181 HB3 CYS 60 HB1 CYS 60 1.095 2.544 0.519
182 H HIS 61 H HIS 61 -1.204 4.786 -2.251
183 HA HIS 61 HA HIS 61 -0.859 6.702 -0.236
184 HB2 HIS 61 HB1 HIS 61 1.420 6.610 -1.671
185 HB3 HIS 61 HB2 HIS 61 0.509 7.758 -2.646
186 HD1 HIS 61 HD1 HIS 61 2.213 7.378 0.642
187 HD2 HIS 61 HD2 HIS 61 -0.013 10.233 -1.399
188 HE1 HIS 61 HE1 HIS 61 2.521 9.518 1.928
189 HE2 HIS 61 HE2 HIS 61 1.096 11.210 0.724
190 H VAL 62 H VAL 62 -1.295 6.350 -3.745
191 HA VAL 62 HA VAL 62 -3.133 8.534 -3.932
192 HB VAL 62 HB VAL 62 -1.770 7.843 -5.854
193 HG11 VAL 62 HG11 VAL 62 -1.738 5.777 -6.746
194 HG12 VAL 62 HG21 VAL 62 -3.466 5.531 -6.507
195 HG13 VAL 62 HG13 VAL 62 -2.349 5.296 -5.162
196 HG21 VAL 62 HG12 VAL 62 -3.697 9.088 -6.413
197 HG22 VAL 62 HG22 VAL 62 -4.758 7.701 -6.165
198 HG23 VAL 62 HG23 VAL 62 -3.657 7.733 -7.542
199 H MET 63 H MET 63 -3.398 5.082 -3.441
200 HA MET 63 HA MET 63 -6.324 5.253 -3.594
201 HB2 MET 63 HB1 MET 63 -4.592 2.785 -3.372
202 HB3 MET 63 HB2 MET 63 -6.320 2.830 -3.692
203 HG2 MET 63 HG1 MET 63 -4.134 3.840 -5.496
204 HG3 MET 63 HG2 MET 63 -5.105 2.387 -5.725
205 HE1 MET 63 HE1 MET 63 -6.250 4.375 -8.621
206 HE2 MET 63 HE2 MET 63 -7.066 2.937 -8.005
207 HE3 MET 63 HE3 MET 63 -5.307 3.048 -7.943
208 H TYR 64 H TYR 64 -3.721 4.087 -1.477
209 HA TYR 64 HA TYR 64 -5.635 4.020 0.752
210 HB2 TYR 64 HB2 TYR 64 -2.890 2.770 0.526
211 HB3 TYR 64 HB1 TYR 64 -3.961 2.633 1.917
212 HD1 TYR 64 HD1 TYR 64 -6.156 1.426 1.644
213 HD2 TYR 64 HD2 TYR 64 -3.118 1.333 -1.332
214 HE1 TYR 64 HE1 TYR 64 -7.204 -0.561 0.646
215 HE2 TYR 64 HE2 TYR 64 -4.157 -0.655 -2.340
216 HH TYR 64 HH TYR 64 -7.149 -1.590 -1.896
Start of MODEL 13
1 H1 LEU 1 H1 LEU 1 -0.365 -18.164 -12.585
2 H2 LEU 1 H2 LEU 1 -0.272 -17.170 -11.189
3 H3 LEU 1 H3 LEU 1 0.708 -16.827 -12.555
4 HA LEU 1 HA LEU 1 -1.091 -16.178 -13.829
5 HB2 LEU 1 HB1 LEU 1 -3.375 -16.463 -13.115
6 HB3 LEU 1 HB2 LEU 1 -2.554 -18.011 -13.049
7 HG LEU 1 HG LEU 1 -2.684 -16.393 -10.552
8 HD11 LEU 1 HD11 LEU 1 -4.967 -18.197 -11.133
9 HD12 LEU 1 HD12 LEU 1 -4.989 -16.581 -11.842
10 HD13 LEU 1 HD13 LEU 1 -4.879 -16.774 -10.093
11 HD21 LEU 1 HD21 LEU 1 -1.546 -18.708 -11.004
12 HD22 LEU 1 HD22 LEU 1 -3.187 -19.320 -10.804
13 HD23 LEU 1 HD23 LEU 1 -2.418 -18.417 -9.499
14 HA PRO 2 HA PRO 2 -1.069 -12.112 -12.153
15 HB2 PRO 2 HB2 PRO 2 -4.006 -11.965 -12.641
16 HB3 PRO 2 HB1 PRO 2 -2.722 -10.866 -13.159
17 HG2 PRO 2 HG2 PRO 2 -3.840 -12.552 -14.888
18 HG3 PRO 2 HG1 PRO 2 -2.098 -12.220 -14.937
19 HD2 PRO 2 HD2 PRO 2 -3.544 -14.618 -13.905
20 HD3 PRO 2 HD1 PRO 2 -1.980 -14.513 -14.738
21 H SER 3 H SER 3 -0.745 -12.123 -9.996
22 HA SER 3 HA SER 3 -3.122 -12.241 -8.282
23 HB2 SER 3 HB1 SER 3 -1.725 -13.483 -6.572
24 HB3 SER 3 HB2 SER 3 -2.173 -14.418 -8.000
25 HG SER 3 HG SER 3 0.323 -13.399 -7.242
26 H ASP 4 H ASP 4 -3.010 -9.966 -8.181
27 HA ASP 4 HA ASP 4 -0.876 -8.983 -6.413
28 HB2 ASP 4 HB1 ASP 4 -0.896 -8.301 -9.011
29 HB3 ASP 4 HB2 ASP 4 -2.000 -7.075 -8.393
30 H ASP 5 H ASP 5 -2.202 -9.066 -4.611
31 HA ASP 5 HA ASP 5 -4.629 -7.407 -4.679
32 HB2 ASP 5 HB1 ASP 5 -3.835 -9.383 -2.536
33 HB3 ASP 5 HB2 ASP 5 -5.409 -8.628 -2.767
34 H LEU 6 H LEU 6 -4.801 -5.613 -3.459
35 HA LEU 6 HA LEU 6 -2.432 -4.810 -1.933
36 HB2 LEU 6 HB1 LEU 6 -4.729 -3.273 -3.124
37 HB3 LEU 6 HB2 LEU 6 -3.616 -2.541 -1.983
38 HG LEU 6 HG LEU 6 -3.028 -2.001 -4.299
39 HD11 LEU 6 HD11 LEU 6 -1.267 -2.132 -2.603
40 HD12 LEU 6 HD12 LEU 6 -0.674 -2.611 -4.193
41 HD13 LEU 6 HD13 LEU 6 -1.033 -3.838 -2.979
42 HD21 LEU 6 HD21 LEU 6 -3.899 -4.332 -5.076
43 HD22 LEU 6 HD22 LEU 6 -2.239 -4.842 -4.769
44 HD23 LEU 6 HD23 LEU 6 -2.565 -3.558 -5.933
45 H GLU 7 H GLU 7 -4.267 -6.720 -0.825
46 HA GLU 7 HA GLU 7 -5.630 -5.184 1.270
47 HB2 GLU 7 HB1 GLU 7 -6.762 -7.313 1.812
48 HB3 GLU 7 HB2 GLU 7 -7.025 -6.818 0.146
49 HG2 GLU 7 HG1 GLU 7 -5.461 -8.433 -0.656
50 HG3 GLU 7 HG2 GLU 7 -4.951 -8.827 0.985
51 H PHE 8 H PHE 8 -3.202 -7.686 0.764
52 HA PHE 8 HA PHE 8 -2.594 -7.680 3.634
53 HB2 PHE 8 HB2 PHE 8 -2.953 -9.879 2.568
54 HB3 PHE 8 HB1 PHE 8 -1.621 -9.551 1.463
55 HD1 PHE 8 HD1 PHE 8 0.679 -9.085 2.536
56 HD2 PHE 8 HD2 PHE 8 -2.555 -10.954 4.575
57 HE1 PHE 8 HE1 PHE 8 2.262 -10.048 4.154
58 HE2 PHE 8 HE2 PHE 8 -0.978 -11.919 6.198
59 HZ PHE 8 HZ PHE 8 1.434 -11.466 5.990
60 H TRP 9 H TRP 9 -1.274 -6.905 0.493
61 HA TRP 9 HA TRP 9 1.419 -6.559 1.296
62 HB2 TRP 9 HB2 TRP 9 0.154 -6.605 -1.103
63 HB3 TRP 9 HB1 TRP 9 0.423 -4.875 -0.921
64 HD1 TRP 9 HD1 TRP 9 2.081 -7.887 -2.186
65 HE1 TRP 9 HE1 TRP 9 4.595 -7.471 -2.558
66 HE3 TRP 9 HE3 TRP 9 2.567 -3.493 0.381
67 HZ2 TRP 9 HZ2 TRP 9 6.526 -5.537 -1.856
68 HZ3 TRP 9 HZ3 TRP 9 4.782 -2.424 0.483
69 HH2 TRP 9 HH2 TRP 9 6.720 -3.427 -0.613
70 H CYS 10 H CYS 10 -1.212 -4.216 0.772
71 HA CYS 10 HA CYS 10 0.363 -2.058 1.865
72 HB2 CYS 10 HB2 CYS 10 -2.336 -2.330 0.634
73 HB3 CYS 10 HB1 CYS 10 -2.054 -0.949 1.689
74 H HIS 11 H HIS 11 0.566 -3.564 3.873
75 HA HIS 11 HA HIS 11 -0.842 -2.329 5.986
76 HB2 HIS 11 HB1 HIS 11 -1.918 -4.884 4.947
77 HB3 HIS 11 HB2 HIS 11 -1.753 -4.773 6.696
78 HD1 HIS 11 HD1 HIS 11 -2.514 -1.710 6.889
79 HD2 HIS 11 HD2 HIS 11 -4.662 -4.634 4.864
80 HE1 HIS 11 HE1 HIS 11 -4.868 -0.839 6.747
81 HE2 HIS 11 HE2 HIS 11 -6.129 -2.584 5.440
82 H VAL 12 H VAL 12 0.828 -5.308 5.018
83 HA VAL 12 HA VAL 12 2.030 -5.738 7.567
84 HB VAL 12 HB VAL 12 1.687 -7.577 5.976
85 HG11 VAL 12 HG11 VAL 12 4.022 -6.876 4.329
86 HG12 VAL 12 HG21 VAL 12 2.583 -5.893 4.064
87 HG13 VAL 12 HG13 VAL 12 2.500 -7.645 3.878
88 HG21 VAL 12 HG12 VAL 12 3.981 -8.576 6.148
89 HG22 VAL 12 HG22 VAL 12 3.331 -7.947 7.661
90 HG23 VAL 12 HG23 VAL 12 4.539 -7.023 6.770
91 H MET 13 H MET 13 2.946 -3.998 4.675
92 HA MET 13 HA MET 13 5.584 -3.414 5.820
93 HB2 MET 13 HB1 MET 13 4.592 -2.702 3.060
94 HB3 MET 13 HB2 MET 13 6.255 -2.702 3.636
95 HG2 MET 13 HG1 MET 13 4.534 -5.155 3.372
96 HG3 MET 13 HG2 MET 13 5.711 -4.614 2.177
97 HE1 MET 13 HE1 MET 13 7.864 -5.845 2.027
98 HE2 MET 13 HE2 MET 13 6.697 -7.124 2.364
99 HE3 MET 13 HE3 MET 13 8.258 -7.117 3.184
100 H TYR 14 H TYR 14 2.858 -1.732 4.261
101 HA TYR 14 HA TYR 14 3.748 0.771 5.498
102 HB2 TYR 14 HB2 TYR 14 1.724 0.235 3.314
103 HB3 TYR 14 HB1 TYR 14 2.074 1.830 3.972
104 HD1 TYR 14 HD1 TYR 14 4.374 2.796 3.666
105 HD2 TYR 14 HD2 TYR 14 3.109 -0.737 1.661
106 HE1 TYR 14 HE1 TYR 14 6.209 3.062 2.053
107 HE2 TYR 14 HE2 TYR 14 4.942 -0.481 0.042
108 HH TYR 14 HH TYR 14 6.353 1.523 -0.841
109 H1 LEU 51 H1 LEU 51 9.673 5.612 -13.613
110 H2 LEU 51 H2 LEU 51 8.912 4.934 -12.232
111 H3 LEU 51 H3 LEU 51 7.976 5.370 -13.602
112 HA LEU 51 HA LEU 51 9.076 3.721 -14.910
113 HB2 LEU 51 HB1 LEU 51 10.389 2.931 -12.309
114 HB3 LEU 51 HB2 LEU 51 10.629 2.185 -13.878
115 HG LEU 51 HG LEU 51 11.426 4.636 -14.522
116 HD11 LEU 51 HD11 LEU 51 12.132 5.976 -12.851
117 HD12 LEU 51 HD12 LEU 51 12.574 4.625 -11.806
118 HD13 LEU 51 HD13 LEU 51 10.887 5.122 -11.938
119 HD21 LEU 51 HD21 LEU 51 12.737 2.569 -14.706
120 HD22 LEU 51 HD22 LEU 51 13.135 2.679 -12.989
121 HD23 LEU 51 HD23 LEU 51 13.708 3.915 -14.108
122 HA PRO 52 HA PRO 52 5.379 1.952 -12.812
123 HB2 PRO 52 HB2 PRO 52 4.049 1.389 -15.109
124 HB3 PRO 52 HB1 PRO 52 4.013 2.983 -14.347
125 HG2 PRO 52 HG2 PRO 52 5.666 2.023 -16.652
126 HG3 PRO 52 HG1 PRO 52 4.799 3.558 -16.460
127 HD2 PRO 52 HD2 PRO 52 7.468 3.331 -16.059
128 HD3 PRO 52 HD1 PRO 52 6.460 4.475 -15.150
129 H SER 53 H SER 53 5.864 -0.019 -12.057
130 HA SER 53 HA SER 53 5.957 -2.249 -13.903
131 HB2 SER 53 HB1 SER 53 8.061 -3.156 -12.960
132 HB3 SER 53 HB2 SER 53 8.316 -1.628 -13.801
133 HG SER 53 HG SER 53 8.415 -0.588 -11.817
134 H ASP 54 H ASP 54 6.806 -1.598 -10.497
135 HA ASP 54 HA ASP 54 4.474 -2.822 -9.459
136 HB2 ASP 54 HB1 ASP 54 6.133 -4.730 -10.361
137 HB3 ASP 54 HB2 ASP 54 6.824 -4.500 -8.757
138 H ASP 55 H ASP 55 6.002 -0.434 -9.076
139 HA ASP 55 HA ASP 55 7.407 -0.668 -6.572
140 HB2 ASP 55 HB1 ASP 55 6.495 1.863 -7.949
141 HB3 ASP 55 HB2 ASP 55 7.769 1.702 -6.744
142 H LEU 56 H LEU 56 6.633 -0.350 -4.572
143 HA LEU 56 HA LEU 56 3.778 0.277 -4.316
144 HB2 LEU 56 HB1 LEU 56 5.716 -1.310 -2.702
145 HB3 LEU 56 HB2 LEU 56 4.366 -0.560 -1.872
146 HG LEU 56 HG LEU 56 3.926 -2.907 -2.490
147 HD11 LEU 56 HD11 LEU 56 1.730 -2.536 -2.954
148 HD12 LEU 56 HD12 LEU 56 2.079 -1.346 -4.207
149 HD13 LEU 56 HD13 LEU 56 2.202 -0.897 -2.505
150 HD21 LEU 56 HD21 LEU 56 3.667 -2.140 -5.350
151 HD22 LEU 56 HD22 LEU 56 3.989 -3.715 -4.624
152 HD23 LEU 56 HD23 LEU 56 5.274 -2.512 -4.725
153 H GLU 57 H GLU 57 5.785 2.329 -4.746
154 HA GLU 57 HA GLU 57 5.858 3.692 -2.152
155 HB2 GLU 57 HB1 GLU 57 7.418 5.268 -3.296
156 HB3 GLU 57 HB2 GLU 57 7.997 3.609 -3.243
157 HG2 GLU 57 HG1 GLU 57 7.772 3.310 -5.496
158 HG3 GLU 57 HG2 GLU 57 6.487 4.507 -5.639
159 H PHE 58 H PHE 58 4.580 3.944 -5.403
160 HA PHE 58 HA PHE 58 3.303 6.498 -4.732
161 HB2 PHE 58 HB2 PHE 58 4.565 6.376 -6.857
162 HB3 PHE 58 HB1 PHE 58 3.495 5.090 -7.403
163 HD1 PHE 58 HD1 PHE 58 1.141 5.573 -7.919
164 HD2 PHE 58 HD2 PHE 58 3.893 8.658 -6.908
165 HE1 PHE 58 HE1 PHE 58 -0.407 7.250 -8.838
166 HE2 PHE 58 HE2 PHE 58 2.348 10.341 -7.824
167 HZ PHE 58 HZ PHE 58 0.196 9.637 -8.792
168 H TRP 59 H TRP 59 2.610 3.181 -5.665
169 HA TRP 59 HA TRP 59 -0.157 3.444 -6.073
170 HB2 TRP 59 HB2 TRP 59 1.582 1.421 -6.404
171 HB3 TRP 59 HB1 TRP 59 0.848 0.915 -4.885
172 HD1 TRP 59 HD1 TRP 59 0.363 0.630 -8.508
173 HE1 TRP 59 HE1 TRP 59 -1.999 -0.231 -9.057
174 HE3 TRP 59 HE3 TRP 59 -1.821 1.279 -3.931
175 HZ2 TRP 59 HZ2 TRP 59 -4.462 -0.588 -7.726
176 HZ3 TRP 59 HZ3 TRP 59 -4.184 0.653 -3.653
177 HH2 TRP 59 HH2 TRP 59 -5.476 -0.261 -5.513
178 H CYS 60 H CYS 60 1.588 2.263 -3.193
179 HA CYS 60 HA CYS 60 -0.801 2.396 -1.586
180 HB2 CYS 60 HB2 CYS 60 1.350 0.816 -1.427
181 HB3 CYS 60 HB1 CYS 60 1.870 2.080 -0.318
182 H HIS 61 H HIS 61 -1.047 4.755 -2.126
183 HA HIS 61 HA HIS 61 -0.462 6.324 0.121
184 HB2 HIS 61 HB1 HIS 61 1.786 6.145 -1.358
185 HB3 HIS 61 HB2 HIS 61 1.024 7.522 -2.148
186 HD1 HIS 61 HD1 HIS 61 3.405 6.917 0.325
187 HD2 HIS 61 HD2 HIS 61 0.086 9.409 0.137
188 HE1 HIS 61 HE1 HIS 61 3.798 8.691 2.063
189 HE2 HIS 61 HE2 HIS 61 1.816 10.237 1.872
190 H VAL 62 H VAL 62 -0.976 6.469 -3.387
191 HA VAL 62 HA VAL 62 -2.551 8.869 -3.218
192 HB VAL 62 HB VAL 62 -1.225 8.375 -5.227
193 HG11 VAL 62 HG11 VAL 62 -3.150 6.363 -6.212
194 HG12 VAL 62 HG21 VAL 62 -2.009 5.823 -4.980
195 HG13 VAL 62 HG13 VAL 62 -1.416 6.511 -6.492
196 HG21 VAL 62 HG12 VAL 62 -4.147 8.347 -5.945
197 HG22 VAL 62 HG22 VAL 62 -2.814 9.096 -6.825
198 HG23 VAL 62 HG23 VAL 62 -3.335 9.763 -5.277
199 H MET 63 H MET 63 -3.165 5.418 -3.402
200 HA MET 63 HA MET 63 -6.023 5.795 -3.716
201 HB2 MET 63 HB1 MET 63 -4.367 3.297 -3.315
202 HB3 MET 63 HB2 MET 63 -6.103 3.312 -3.600
203 HG2 MET 63 HG1 MET 63 -4.207 4.592 -5.529
204 HG3 MET 63 HG2 MET 63 -4.535 2.862 -5.576
205 HE1 MET 63 HE1 MET 63 -7.909 2.295 -6.521
206 HE2 MET 63 HE2 MET 63 -8.267 3.203 -5.054
207 HE3 MET 63 HE3 MET 63 -6.888 2.104 -5.097
208 H TYR 64 H TYR 64 -3.962 4.151 -1.308
209 HA TYR 64 HA TYR 64 -6.101 4.422 0.662
210 HB2 TYR 64 HB2 TYR 64 -3.485 2.906 0.733
211 HB3 TYR 64 HB1 TYR 64 -4.638 2.953 2.064
212 HD1 TYR 64 HD1 TYR 64 -3.776 1.423 -1.083
213 HD2 TYR 64 HD2 TYR 64 -6.934 1.978 1.715
214 HE1 TYR 64 HE1 TYR 64 -4.977 -0.483 -2.068
215 HE2 TYR 64 HE2 TYR 64 -8.142 0.072 0.738
216 HH TYR 64 HH TYR 64 -6.696 -2.114 -1.414
Start of MODEL 14
1 H1 LEU 1 H1 LEU 1 -11.075 -12.027 -4.268
2 H2 LEU 1 H2 LEU 1 -12.125 -11.764 -5.599
3 H3 LEU 1 H3 LEU 1 -10.599 -10.981 -5.540
4 HA LEU 1 HA LEU 1 -11.209 -13.815 -5.980
5 HB2 LEU 1 HB1 LEU 1 -9.684 -11.669 -7.460
6 HB3 LEU 1 HB2 LEU 1 -9.700 -13.356 -7.936
7 HG LEU 1 HG LEU 1 -12.321 -12.985 -7.930
8 HD11 LEU 1 HD11 LEU 1 -13.083 -10.859 -8.229
9 HD12 LEU 1 HD12 LEU 1 -11.553 -10.283 -8.890
10 HD13 LEU 1 HD13 LEU 1 -11.726 -10.531 -7.152
11 HD21 LEU 1 HD21 LEU 1 -12.223 -12.823 -10.251
12 HD22 LEU 1 HD22 LEU 1 -10.672 -13.545 -9.823
13 HD23 LEU 1 HD23 LEU 1 -10.767 -11.828 -10.216
14 HA PRO 2 HA PRO 2 -7.538 -14.994 -3.829
15 HB2 PRO 2 HB2 PRO 2 -6.758 -17.159 -5.269
16 HB3 PRO 2 HB1 PRO 2 -8.161 -17.177 -4.193
17 HG2 PRO 2 HG2 PRO 2 -8.056 -16.842 -7.168
18 HG3 PRO 2 HG1 PRO 2 -9.166 -17.822 -6.191
19 HD2 PRO 2 HD2 PRO 2 -9.853 -15.400 -7.188
20 HD3 PRO 2 HD1 PRO 2 -10.484 -16.011 -5.645
21 H SER 3 H SER 3 -5.816 -13.685 -3.951
22 HA SER 3 HA SER 3 -3.721 -14.148 -5.760
23 HB2 SER 3 HB1 SER 3 -5.640 -11.984 -6.492
24 HB3 SER 3 HB2 SER 3 -3.921 -11.680 -6.737
25 HG SER 3 HG SER 3 -3.827 -13.271 -8.201
26 H ASP 4 H ASP 4 -2.212 -12.001 -5.734
27 HA ASP 4 HA ASP 4 -1.361 -11.737 -3.080
28 HB2 ASP 4 HB1 ASP 4 -0.745 -9.803 -5.318
29 HB3 ASP 4 HB2 ASP 4 0.237 -10.144 -3.897
30 H ASP 5 H ASP 5 -3.250 -9.549 -5.131
31 HA ASP 5 HA ASP 5 -4.578 -7.768 -4.648
32 HB2 ASP 5 HB1 ASP 5 -4.698 -9.404 -2.159
33 HB3 ASP 5 HB2 ASP 5 -5.343 -7.766 -2.096
34 H LEU 6 H LEU 6 -4.834 -5.937 -2.800
35 HA LEU 6 HA LEU 6 -2.104 -4.928 -2.401
36 HB2 LEU 6 HB1 LEU 6 -4.725 -3.643 -2.971
37 HB3 LEU 6 HB2 LEU 6 -3.578 -2.745 -1.996
38 HG LEU 6 HG LEU 6 -3.329 -2.064 -4.278
39 HD11 LEU 6 HD11 LEU 6 -1.032 -2.265 -4.498
40 HD12 LEU 6 HD12 LEU 6 -1.014 -3.916 -3.879
41 HD13 LEU 6 HD13 LEU 6 -1.284 -2.565 -2.778
42 HD21 LEU 6 HD21 LEU 6 -4.319 -4.181 -5.216
43 HD22 LEU 6 HD22 LEU 6 -2.727 -4.916 -5.020
44 HD23 LEU 6 HD23 LEU 6 -2.933 -3.533 -6.095
45 H GLU 7 H GLU 7 -5.092 -5.694 -0.775
46 HA GLU 7 HA GLU 7 -4.695 -4.367 1.649
47 HB2 GLU 7 HB1 GLU 7 -6.179 -6.147 2.611
48 HB3 GLU 7 HB2 GLU 7 -6.827 -5.340 1.189
49 HG2 GLU 7 HG1 GLU 7 -5.530 -7.451 0.071
50 HG3 GLU 7 HG2 GLU 7 -6.085 -8.139 1.596
51 H PHE 8 H PHE 8 -3.326 -7.330 0.408
52 HA PHE 8 HA PHE 8 -2.277 -8.219 2.923
53 HB2 PHE 8 HB2 PHE 8 -2.789 -9.765 1.044
54 HB3 PHE 8 HB1 PHE 8 -1.469 -9.045 0.127
55 HD1 PHE 8 HD1 PHE 8 0.874 -9.241 1.027
56 HD2 PHE 8 HD2 PHE 8 -2.394 -11.472 2.594
57 HE1 PHE 8 HE1 PHE 8 2.452 -10.830 2.046
58 HE2 PHE 8 HE2 PHE 8 -0.822 -13.064 3.617
59 HZ PHE 8 HZ PHE 8 1.605 -12.745 3.345
60 H TRP 9 H TRP 9 -1.087 -6.328 0.215
61 HA TRP 9 HA TRP 9 1.614 -6.243 1.234
62 HB2 TRP 9 HB2 TRP 9 0.592 -5.966 -1.261
63 HB3 TRP 9 HB1 TRP 9 0.783 -4.276 -0.812
64 HD1 TRP 9 HD1 TRP 9 2.675 -7.108 -2.223
65 HE1 TRP 9 HE1 TRP 9 5.190 -6.564 -2.316
66 HE3 TRP 9 HE3 TRP 9 2.717 -2.951 0.754
67 HZ2 TRP 9 HZ2 TRP 9 6.957 -4.630 -1.265
68 HZ3 TRP 9 HZ3 TRP 9 4.861 -1.814 1.160
69 HH2 TRP 9 HH2 TRP 9 6.935 -2.637 0.171
70 H CYS 10 H CYS 10 -0.947 -3.818 0.698
71 HA CYS 10 HA CYS 10 0.435 -1.841 2.260
72 HB2 CYS 10 HB2 CYS 10 -2.266 -1.948 0.933
73 HB3 CYS 10 HB1 CYS 10 -1.811 -0.607 1.978
74 H HIS 11 H HIS 11 0.541 -3.490 4.099
75 HA HIS 11 HA HIS 11 -1.090 -2.612 6.202
76 HB2 HIS 11 HB1 HIS 11 -2.538 -4.320 4.702
77 HB3 HIS 11 HB2 HIS 11 -1.742 -5.471 5.771
78 HD1 HIS 11 HD1 HIS 11 -4.700 -5.293 6.051
79 HD2 HIS 11 HD2 HIS 11 -2.126 -2.796 8.151
80 HE1 HIS 11 HE1 HIS 11 -6.010 -4.500 8.047
81 HE2 HIS 11 HE2 HIS 11 -4.462 -2.923 9.255
82 H VAL 12 H VAL 12 0.818 -5.304 4.938
83 HA VAL 12 HA VAL 12 1.811 -6.000 7.566
84 HB VAL 12 HB VAL 12 1.425 -7.765 5.903
85 HG11 VAL 12 HG11 VAL 12 2.269 -7.786 3.820
86 HG12 VAL 12 HG21 VAL 12 3.828 -7.140 4.334
87 HG13 VAL 12 HG13 VAL 12 2.464 -6.051 4.077
88 HG21 VAL 12 HG12 VAL 12 3.434 -9.002 6.280
89 HG22 VAL 12 HG22 VAL 12 3.151 -7.990 7.697
90 HG23 VAL 12 HG23 VAL 12 4.367 -7.524 6.508
91 H MET 13 H MET 13 2.864 -4.191 4.768
92 HA MET 13 HA MET 13 5.521 -3.809 5.941
93 HB2 MET 13 HB1 MET 13 4.505 -2.878 3.253
94 HB3 MET 13 HB2 MET 13 6.174 -2.888 3.803
95 HG2 MET 13 HG1 MET 13 4.613 -5.431 3.660
96 HG3 MET 13 HG2 MET 13 5.346 -4.742 2.213
97 HE1 MET 13 HE1 MET 13 7.021 -6.977 5.637
98 HE2 MET 13 HE2 MET 13 5.625 -5.900 5.659
99 HE3 MET 13 HE3 MET 13 7.220 -5.284 6.097
100 H TYR 14 H TYR 14 2.893 -1.853 4.536
101 HA TYR 14 HA TYR 14 3.945 0.521 5.864
102 HB2 TYR 14 HB2 TYR 14 1.751 0.091 3.838
103 HB3 TYR 14 HB1 TYR 14 2.020 1.644 4.622
104 HD1 TYR 14 HD1 TYR 14 2.915 -0.441 1.894
105 HD2 TYR 14 HD2 TYR 14 4.400 2.649 4.412
106 HE1 TYR 14 HE1 TYR 14 4.614 0.109 0.204
107 HE2 TYR 14 HE2 TYR 14 6.104 3.209 2.729
108 HH TYR 14 HH TYR 14 7.237 1.556 0.637
109 H1 LEU 51 H1 LEU 51 -3.912 -8.090 -10.344
110 H2 LEU 51 H2 LEU 51 -3.216 -7.601 -11.836
111 H3 LEU 51 H3 LEU 51 -4.794 -7.077 -11.409
112 HA LEU 51 HA LEU 51 -3.456 -5.274 -11.019
113 HB2 LEU 51 HB1 LEU 51 -4.234 -6.910 -8.656
114 HB3 LEU 51 HB2 LEU 51 -3.271 -5.473 -8.366
115 HG LEU 51 HG LEU 51 -5.604 -4.939 -8.087
116 HD11 LEU 51 HD11 LEU 51 -5.172 -3.697 -10.724
117 HD12 LEU 51 HD12 LEU 51 -3.875 -3.490 -9.546
118 HD13 LEU 51 HD13 LEU 51 -5.512 -2.958 -9.160
119 HD21 LEU 51 HD21 LEU 51 -6.151 -5.591 -10.956
120 HD22 LEU 51 HD22 LEU 51 -7.285 -5.379 -9.621
121 HD23 LEU 51 HD23 LEU 51 -6.291 -6.832 -9.710
122 HA PRO 52 HA PRO 52 0.827 -7.036 -11.161
123 HB2 PRO 52 HB2 PRO 52 1.191 -4.238 -12.126
124 HB3 PRO 52 HB1 PRO 52 1.856 -5.745 -12.767
125 HG2 PRO 52 HG2 PRO 52 -0.161 -4.522 -13.999
126 HG3 PRO 52 HG1 PRO 52 -0.105 -6.291 -13.881
127 HD2 PRO 52 HD2 PRO 52 -1.774 -4.339 -12.361
128 HD3 PRO 52 HD1 PRO 52 -2.178 -5.971 -12.927
129 H SER 53 H SER 53 2.667 -6.535 -9.923
130 HA SER 53 HA SER 53 2.193 -5.380 -7.414
131 HB2 SER 53 HB1 SER 53 4.656 -6.272 -8.873
132 HB3 SER 53 HB2 SER 53 4.819 -5.394 -7.353
133 HG SER 53 HG SER 53 4.649 -7.809 -7.314
134 H ASP 54 H ASP 54 4.687 -4.197 -9.657
135 HA ASP 54 HA ASP 54 5.419 -2.101 -10.150
136 HB2 ASP 54 HB1 ASP 54 2.486 -1.758 -9.824
137 HB3 ASP 54 HB2 ASP 54 3.463 -0.294 -9.840
138 H ASP 55 H ASP 55 5.237 0.334 -9.163
139 HA ASP 55 HA ASP 55 6.517 0.170 -6.654
140 HB2 ASP 55 HB1 ASP 55 5.426 2.486 -8.247
141 HB3 ASP 55 HB2 ASP 55 6.211 2.711 -6.686
142 H LEU 56 H LEU 56 5.690 0.005 -4.683
143 HA LEU 56 HA LEU 56 2.832 0.246 -4.292
144 HB2 LEU 56 HB1 LEU 56 5.127 -0.801 -2.708
145 HB3 LEU 56 HB2 LEU 56 3.680 -0.320 -1.843
146 HG LEU 56 HG LEU 56 3.568 -2.677 -2.250
147 HD11 LEU 56 HD11 LEU 56 1.753 -1.454 -4.305
148 HD12 LEU 56 HD12 LEU 56 1.512 -1.216 -2.574
149 HD13 LEU 56 HD13 LEU 56 1.454 -2.840 -3.258
150 HD21 LEU 56 HD21 LEU 56 5.159 -2.547 -4.232
151 HD22 LEU 56 HD22 LEU 56 3.736 -2.180 -5.206
152 HD23 LEU 56 HD23 LEU 56 3.840 -3.712 -4.340
153 H GLU 57 H GLU 57 5.740 2.011 -3.501
154 HA GLU 57 HA GLU 57 4.782 3.662 -1.468
155 HB2 GLU 57 HB1 GLU 57 6.565 5.240 -2.174
156 HB3 GLU 57 HB2 GLU 57 7.135 3.587 -1.993
157 HG2 GLU 57 HG1 GLU 57 6.558 3.533 -4.591
158 HG3 GLU 57 HG2 GLU 57 6.885 5.257 -4.418
159 H PHE 58 H PHE 58 4.285 3.771 -4.918
160 HA PHE 58 HA PHE 58 3.029 6.400 -4.758
161 HB2 PHE 58 HB2 PHE 58 4.539 5.933 -6.646
162 HB3 PHE 58 HB1 PHE 58 3.498 4.603 -7.147
163 HD1 PHE 58 HD1 PHE 58 3.787 8.254 -6.875
164 HD2 PHE 58 HD2 PHE 58 1.457 4.997 -8.316
165 HE1 PHE 58 HE1 PHE 58 2.461 9.812 -8.240
166 HE2 PHE 58 HE2 PHE 58 0.128 6.550 -9.686
167 HZ PHE 58 HZ PHE 58 0.630 8.961 -9.650
168 H TRP 59 H TRP 59 2.213 3.059 -5.625
169 HA TRP 59 HA TRP 59 -0.506 3.545 -6.211
170 HB2 TRP 59 HB2 TRP 59 1.008 1.459 -6.689
171 HB3 TRP 59 HB1 TRP 59 0.428 0.916 -5.119
172 HD1 TRP 59 HD1 TRP 59 -0.498 0.930 -8.704
173 HE1 TRP 59 HE1 TRP 59 -2.904 0.074 -9.014
174 HE3 TRP 59 HE3 TRP 59 -2.045 1.071 -3.832
175 HZ2 TRP 59 HZ2 TRP 59 -5.160 -0.471 -7.407
176 HZ3 TRP 59 HZ3 TRP 59 -4.342 0.366 -3.304
177 HH2 TRP 59 HH2 TRP 59 -5.866 -0.388 -5.056
178 H CYS 60 H CYS 60 1.140 2.501 -3.248
179 HA CYS 60 HA CYS 60 -1.242 2.217 -1.721
180 HB2 CYS 60 HB2 CYS 60 1.234 1.344 -1.326
181 HB3 CYS 60 HB1 CYS 60 1.357 2.832 -0.393
182 H HIS 61 H HIS 61 0.890 4.883 -2.434
183 HA HIS 61 HA HIS 61 -0.170 6.592 -0.374
184 HB2 HIS 61 HB1 HIS 61 2.162 6.778 -1.284
185 HB3 HIS 61 HB2 HIS 61 1.472 7.376 -2.789
186 HD1 HIS 61 HD1 HIS 61 3.286 8.811 -0.377
187 HD2 HIS 61 HD2 HIS 61 -0.620 9.568 -1.576
188 HE1 HIS 61 HE1 HIS 61 2.798 11.164 0.366
189 HE2 HIS 61 HE2 HIS 61 0.400 11.569 -0.293
190 H VAL 62 H VAL 62 -0.387 6.509 -3.930
191 HA VAL 62 HA VAL 62 -2.175 8.641 -4.216
192 HB VAL 62 HB VAL 62 -0.936 7.668 -6.104
193 HG11 VAL 62 HG11 VAL 62 -2.894 5.448 -6.364
194 HG12 VAL 62 HG21 VAL 62 -1.567 5.260 -5.217
195 HG13 VAL 62 HG13 VAL 62 -1.223 5.557 -6.920
196 HG21 VAL 62 HG12 VAL 62 -3.933 7.788 -6.315
197 HG22 VAL 62 HG22 VAL 62 -2.892 7.576 -7.722
198 HG23 VAL 62 HG23 VAL 62 -2.752 9.030 -6.734
199 H MET 63 H MET 63 -2.710 5.278 -3.415
200 HA MET 63 HA MET 63 -5.612 5.648 -3.561
201 HB2 MET 63 HB1 MET 63 -3.859 3.214 -3.280
202 HB3 MET 63 HB2 MET 63 -5.595 3.146 -3.009
203 HG2 MET 63 HG1 MET 63 -4.246 4.003 -5.558
204 HG3 MET 63 HG2 MET 63 -4.997 2.437 -5.262
205 HE1 MET 63 HE1 MET 63 -5.332 4.584 -7.524
206 HE2 MET 63 HE2 MET 63 -7.032 4.997 -7.757
207 HE3 MET 63 HE3 MET 63 -6.521 3.309 -7.794
208 H TYR 64 H TYR 64 -3.568 3.816 -1.296
209 HA TYR 64 HA TYR 64 -5.308 4.586 0.893
210 HB2 TYR 64 HB2 TYR 64 -2.870 2.795 0.837
211 HB3 TYR 64 HB1 TYR 64 -3.928 3.024 2.225
212 HD1 TYR 64 HD1 TYR 64 -3.387 1.216 -0.828
213 HD2 TYR 64 HD2 TYR 64 -6.350 2.303 2.025
214 HE1 TYR 64 HE1 TYR 64 -4.822 -0.614 -1.630
215 HE2 TYR 64 HE2 TYR 64 -7.792 0.477 1.231
216 HH TYR 64 HH TYR 64 -7.797 -0.868 -1.370
Start of MODEL 15
1 H1 LEU 1 H1 LEU 1 -6.776 -14.617 -12.986
2 H2 LEU 1 H2 LEU 1 -5.476 -13.711 -13.647
3 H3 LEU 1 H3 LEU 1 -6.610 -12.956 -12.603
4 HA LEU 1 HA LEU 1 -5.912 -14.459 -10.836
5 HB2 LEU 1 HB1 LEU 1 -4.088 -15.289 -13.058
6 HB3 LEU 1 HB2 LEU 1 -3.519 -15.389 -11.403
7 HG LEU 1 HG LEU 1 -6.001 -16.759 -12.440
8 HD11 LEU 1 HD11 LEU 1 -4.768 -18.775 -12.510
9 HD12 LEU 1 HD12 LEU 1 -3.367 -18.029 -11.743
10 HD13 LEU 1 HD13 LEU 1 -3.815 -17.580 -13.389
11 HD21 LEU 1 HD21 LEU 1 -6.178 -16.312 -10.092
12 HD22 LEU 1 HD22 LEU 1 -4.538 -16.899 -9.809
13 HD23 LEU 1 HD23 LEU 1 -5.804 -18.022 -10.307
14 HA PRO 2 HA PRO 2 -4.028 -10.221 -10.699
15 HB2 PRO 2 HB2 PRO 2 -4.776 -10.752 -7.861
16 HB3 PRO 2 HB1 PRO 2 -5.000 -9.291 -8.831
17 HG2 PRO 2 HG2 PRO 2 -7.057 -10.897 -8.309
18 HG3 PRO 2 HG1 PRO 2 -6.882 -10.126 -9.898
19 HD2 PRO 2 HD2 PRO 2 -6.362 -12.951 -9.093
20 HD3 PRO 2 HD1 PRO 2 -7.007 -12.311 -10.618
21 H SER 3 H SER 3 -1.973 -9.704 -10.143
22 HA SER 3 HA SER 3 -0.166 -11.740 -9.407
23 HB2 SER 3 HB1 SER 3 0.079 -8.748 -9.665
24 HB3 SER 3 HB2 SER 3 1.432 -9.731 -9.107
25 HG SER 3 HG SER 3 1.069 -10.985 -11.092
26 H ASP 4 H ASP 4 -1.241 -8.853 -7.607
27 HA ASP 4 HA ASP 4 -1.238 -10.297 -5.128
28 HB2 ASP 4 HB1 ASP 4 0.427 -8.788 -4.018
29 HB3 ASP 4 HB2 ASP 4 1.130 -9.877 -5.209
30 H ASP 5 H ASP 5 -3.045 -9.589 -4.224
31 HA ASP 5 HA ASP 5 -4.355 -7.202 -4.913
32 HB2 ASP 5 HB1 ASP 5 -4.695 -8.948 -2.465
33 HB3 ASP 5 HB2 ASP 5 -5.816 -7.684 -2.964
34 H LEU 6 H LEU 6 -5.036 -5.559 -3.188
35 HA LEU 6 HA LEU 6 -2.593 -4.600 -1.869
36 HB2 LEU 6 HB1 LEU 6 -5.013 -3.222 -2.977
37 HB3 LEU 6 HB2 LEU 6 -4.016 -2.424 -1.775
38 HG LEU 6 HG LEU 6 -3.374 -1.699 -3.991
39 HD11 LEU 6 HD11 LEU 6 -1.109 -3.486 -3.374
40 HD12 LEU 6 HD12 LEU 6 -1.668 -2.444 -2.066
41 HD13 LEU 6 HD13 LEU 6 -1.151 -1.737 -3.597
42 HD21 LEU 6 HD21 LEU 6 -2.363 -4.374 -4.768
43 HD22 LEU 6 HD22 LEU 6 -2.967 -3.053 -5.769
44 HD23 LEU 6 HD23 LEU 6 -4.100 -4.091 -4.901
45 H GLU 7 H GLU 7 -4.316 -6.631 -0.714
46 HA GLU 7 HA GLU 7 -5.468 -5.178 1.568
47 HB2 GLU 7 HB1 GLU 7 -6.758 -7.192 2.028
48 HB3 GLU 7 HB2 GLU 7 -7.019 -6.665 0.372
49 HG2 GLU 7 HG1 GLU 7 -6.664 -8.812 -0.130
50 HG3 GLU 7 HG2 GLU 7 -4.960 -8.394 0.044
51 H PHE 8 H PHE 8 -3.177 -7.660 0.637
52 HA PHE 8 HA PHE 8 -2.417 -8.057 3.441
53 HB2 PHE 8 HB2 PHE 8 -2.826 -10.080 2.098
54 HB3 PHE 8 HB1 PHE 8 -1.574 -9.581 0.966
55 HD1 PHE 8 HD1 PHE 8 -2.296 -11.286 4.028
56 HD2 PHE 8 HD2 PHE 8 0.800 -9.399 1.801
57 HE1 PHE 8 HE1 PHE 8 -0.612 -12.458 5.385
58 HE2 PHE 8 HE2 PHE 8 2.490 -10.569 3.153
59 HZ PHE 8 HZ PHE 8 1.786 -12.101 4.947
60 H TRP 9 H TRP 9 -1.215 -6.883 0.365
61 HA TRP 9 HA TRP 9 1.500 -6.615 1.115
62 HB2 TRP 9 HB2 TRP 9 0.143 -6.367 -1.227
63 HB3 TRP 9 HB1 TRP 9 0.440 -4.675 -0.842
64 HD1 TRP 9 HD1 TRP 9 1.990 -7.443 -2.617
65 HE1 TRP 9 HE1 TRP 9 4.503 -7.031 -2.993
66 HE3 TRP 9 HE3 TRP 9 2.680 -3.581 0.662
67 HZ2 TRP 9 HZ2 TRP 9 6.511 -5.299 -2.028
68 HZ3 TRP 9 HZ3 TRP 9 4.927 -2.603 0.876
69 HH2 TRP 9 HH2 TRP 9 6.803 -3.446 -0.441
70 H CYS 10 H CYS 10 -0.947 -4.054 0.670
71 HA CYS 10 HA CYS 10 0.616 -2.162 2.155
72 HB2 CYS 10 HB2 CYS 10 -2.113 -2.108 0.894
73 HB3 CYS 10 HB1 CYS 10 -1.574 -0.794 1.935
74 H HIS 11 H HIS 11 0.759 -3.575 4.092
75 HA HIS 11 HA HIS 11 -0.869 -2.616 6.161
76 HB2 HIS 11 HB1 HIS 11 -2.345 -4.383 4.845
77 HB3 HIS 11 HB2 HIS 11 -1.424 -5.528 5.815
78 HD1 HIS 11 HD1 HIS 11 -4.419 -3.569 5.909
79 HD2 HIS 11 HD2 HIS 11 -1.630 -4.822 8.723
80 HE1 HIS 11 HE1 HIS 11 -5.565 -3.348 8.136
81 HE2 HIS 11 HE2 HIS 11 -3.830 -4.030 9.830
82 H VAL 12 H VAL 12 0.928 -5.515 5.153
83 HA VAL 12 HA VAL 12 2.024 -5.967 7.756
84 HB VAL 12 HB VAL 12 1.712 -7.810 6.165
85 HG11 VAL 12 HG11 VAL 12 2.585 -7.897 4.091
86 HG12 VAL 12 HG21 VAL 12 4.098 -7.138 4.582
87 HG13 VAL 12 HG13 VAL 12 2.676 -6.145 4.269
88 HG21 VAL 12 HG12 VAL 12 3.582 -7.682 7.969
89 HG22 VAL 12 HG22 VAL 12 4.665 -7.613 6.579
90 HG23 VAL 12 HG23 VAL 12 3.592 -8.997 6.792
91 H MET 13 H MET 13 3.054 -4.272 4.871
92 HA MET 13 HA MET 13 5.673 -3.726 6.061
93 HB2 MET 13 HB1 MET 13 4.665 -2.982 3.312
94 HB3 MET 13 HB2 MET 13 6.324 -2.895 3.884
95 HG2 MET 13 HG1 MET 13 4.702 -5.396 3.473
96 HG3 MET 13 HG2 MET 13 6.021 -4.818 2.457
97 HE1 MET 13 HE1 MET 13 7.697 -7.775 3.584
98 HE2 MET 13 HE2 MET 13 8.664 -6.375 3.121
99 HE3 MET 13 HE3 MET 13 7.123 -6.686 2.322
100 H TYR 14 H TYR 14 3.020 -1.933 4.493
101 HA TYR 14 HA TYR 14 3.921 0.499 5.858
102 HB2 TYR 14 HB2 TYR 14 1.875 0.180 3.651
103 HB3 TYR 14 HB1 TYR 14 2.470 1.705 4.298
104 HD1 TYR 14 HD1 TYR 14 5.075 2.038 4.153
105 HD2 TYR 14 HD2 TYR 14 2.866 -0.692 1.751
106 HE1 TYR 14 HE1 TYR 14 6.891 2.036 2.497
107 HE2 TYR 14 HE2 TYR 14 4.677 -0.703 0.087
108 HH TYR 14 HH TYR 14 7.322 -0.203 0.242
109 H1 LEU 51 H1 LEU 51 13.863 -5.633 -12.638
110 H2 LEU 51 H2 LEU 51 13.038 -5.840 -11.147
111 H3 LEU 51 H3 LEU 51 14.686 -5.360 -11.160
112 HA LEU 51 HA LEU 51 13.349 -3.503 -10.673
113 HB2 LEU 51 HB1 LEU 51 14.693 -3.711 -13.339
114 HB3 LEU 51 HB2 LEU 51 13.891 -2.214 -12.902
115 HG LEU 51 HG LEU 51 15.993 -3.477 -11.156
116 HD11 LEU 51 HD11 LEU 51 16.574 -2.717 -13.657
117 HD12 LEU 51 HD12 LEU 51 17.684 -2.509 -12.301
118 HD13 LEU 51 HD13 LEU 51 16.690 -1.156 -12.845
119 HD21 LEU 51 HD21 LEU 51 16.015 -1.475 -9.996
120 HD22 LEU 51 HD22 LEU 51 14.303 -1.674 -10.370
121 HD23 LEU 51 HD23 LEU 51 15.293 -0.574 -11.329
122 HA PRO 52 HA PRO 52 9.335 -4.400 -12.781
123 HB2 PRO 52 HB2 PRO 52 7.786 -3.725 -10.658
124 HB3 PRO 52 HB1 PRO 52 8.499 -5.331 -10.853
125 HG2 PRO 52 HG2 PRO 52 9.441 -3.032 -9.184
126 HG3 PRO 52 HG1 PRO 52 9.357 -4.754 -8.770
127 HD2 PRO 52 HD2 PRO 52 11.662 -3.546 -9.517
128 HD3 PRO 52 HD1 PRO 52 11.313 -5.247 -9.885
129 H SER 53 H SER 53 7.675 -2.960 -13.447
130 HA SER 53 HA SER 53 8.536 -0.263 -13.760
131 HB2 SER 53 HB1 SER 53 5.905 -1.594 -14.442
132 HB3 SER 53 HB2 SER 53 6.357 0.039 -14.931
133 HG SER 53 HG SER 53 7.487 -0.786 -16.487
134 H ASP 54 H ASP 54 5.380 -1.355 -12.528
135 HA ASP 54 HA ASP 54 4.839 1.023 -11.142
136 HB2 ASP 54 HB1 ASP 54 3.702 -1.748 -11.067
137 HB3 ASP 54 HB2 ASP 54 3.198 -0.571 -9.856
138 H ASP 55 H ASP 55 4.295 0.917 -8.681
139 HA ASP 55 HA ASP 55 6.135 -0.632 -7.090
140 HB2 ASP 55 HB1 ASP 55 6.629 2.231 -7.727
141 HB3 ASP 55 HB2 ASP 55 6.905 1.718 -6.065
142 H LEU 56 H LEU 56 5.943 0.005 -4.723
143 HA LEU 56 HA LEU 56 3.118 0.354 -4.134
144 HB2 LEU 56 HB1 LEU 56 5.497 -0.652 -2.647
145 HB3 LEU 56 HB2 LEU 56 4.139 -0.045 -1.721
146 HG LEU 56 HG LEU 56 4.104 -2.505 -2.042
147 HD11 LEU 56 HD11 LEU 56 1.993 -1.843 -1.554
148 HD12 LEU 56 HD12 LEU 56 1.708 -2.406 -3.201
149 HD13 LEU 56 HD13 LEU 56 1.927 -0.685 -2.883
150 HD21 LEU 56 HD21 LEU 56 3.629 -3.454 -4.194
151 HD22 LEU 56 HD22 LEU 56 5.089 -2.475 -4.322
152 HD23 LEU 56 HD23 LEU 56 3.555 -1.854 -4.934
153 H GLU 57 H GLU 57 6.148 2.046 -3.737
154 HA GLU 57 HA GLU 57 5.393 3.913 -1.792
155 HB2 GLU 57 HB1 GLU 57 7.231 5.288 -2.641
156 HB3 GLU 57 HB2 GLU 57 7.713 3.602 -2.506
157 HG2 GLU 57 HG1 GLU 57 7.191 3.392 -4.968
158 HG3 GLU 57 HG2 GLU 57 7.064 5.151 -4.994
159 H PHE 58 H PHE 58 4.780 3.780 -5.233
160 HA PHE 58 HA PHE 58 3.621 6.457 -5.228
161 HB2 PHE 58 HB2 PHE 58 5.079 5.620 -7.114
162 HB3 PHE 58 HB1 PHE 58 3.775 4.515 -7.536
163 HD1 PHE 58 HD1 PHE 58 1.531 5.486 -8.163
164 HD2 PHE 58 HD2 PHE 58 5.060 7.843 -7.839
165 HE1 PHE 58 HE1 PHE 58 0.475 7.247 -9.518
166 HE2 PHE 58 HE2 PHE 58 4.010 9.608 -9.190
167 HZ PHE 58 HZ PHE 58 1.714 9.312 -10.032
168 H TRP 59 H TRP 59 2.664 3.083 -5.601
169 HA TRP 59 HA TRP 59 -0.075 3.659 -6.167
170 HB2 TRP 59 HB2 TRP 59 1.360 1.487 -6.601
171 HB3 TRP 59 HB1 TRP 59 0.779 1.043 -4.999
172 HD1 TRP 59 HD1 TRP 59 -0.196 0.922 -8.563
173 HE1 TRP 59 HE1 TRP 59 -2.651 0.188 -8.803
174 HE3 TRP 59 HE3 TRP 59 -1.671 1.421 -3.694
175 HZ2 TRP 59 HZ2 TRP 59 -4.914 -0.136 -7.146
176 HZ3 TRP 59 HZ3 TRP 59 -3.999 0.880 -3.105
177 HH2 TRP 59 HH2 TRP 59 -5.584 0.117 -4.797
178 H CYS 60 H CYS 60 1.502 2.231 -3.300
179 HA CYS 60 HA CYS 60 -0.819 2.515 -1.673
180 HB2 CYS 60 HB2 CYS 60 1.354 0.968 -1.468
181 HB3 CYS 60 HB1 CYS 60 1.865 2.279 -0.411
182 H HIS 61 H HIS 61 -1.077 4.854 -2.319
183 HA HIS 61 HA HIS 61 -0.514 6.511 -0.128
184 HB2 HIS 61 HB1 HIS 61 1.734 6.303 -1.595
185 HB3 HIS 61 HB2 HIS 61 0.957 7.633 -2.447
186 HD1 HIS 61 HD1 HIS 61 1.005 9.902 -1.344
187 HD2 HIS 61 HD2 HIS 61 2.339 6.862 1.156
188 HE1 HIS 61 HE1 HIS 61 1.966 11.061 0.670
189 HE2 HIS 61 HE2 HIS 61 2.687 9.199 2.208
190 H VAL 62 H VAL 62 -0.962 6.597 -3.655
191 HA VAL 62 HA VAL 62 -2.596 8.952 -3.558
192 HB VAL 62 HB VAL 62 -1.247 8.428 -5.541
193 HG11 VAL 62 HG11 VAL 62 -1.944 6.639 -7.072
194 HG12 VAL 62 HG21 VAL 62 -3.141 6.107 -5.891
195 HG13 VAL 62 HG13 VAL 62 -1.421 6.005 -5.511
196 HG21 VAL 62 HG12 VAL 62 -3.451 9.733 -5.604
197 HG22 VAL 62 HG22 VAL 62 -4.131 8.294 -6.362
198 HG23 VAL 62 HG23 VAL 62 -2.799 9.151 -7.135
199 H MET 63 H MET 63 -3.148 5.499 -3.567
200 HA MET 63 HA MET 63 -6.014 5.821 -3.937
201 HB2 MET 63 HB1 MET 63 -4.240 3.409 -3.578
202 HB3 MET 63 HB2 MET 63 -5.994 3.296 -3.635
203 HG2 MET 63 HG1 MET 63 -4.237 4.399 -5.815
204 HG3 MET 63 HG2 MET 63 -4.966 2.794 -5.791
205 HE1 MET 63 HE1 MET 63 -5.172 5.197 -8.034
206 HE2 MET 63 HE2 MET 63 -5.349 6.450 -6.806
207 HE3 MET 63 HE3 MET 63 -6.655 6.149 -7.951
208 H TYR 64 H TYR 64 -3.841 4.481 -1.450
209 HA TYR 64 HA TYR 64 -6.019 4.660 0.498
210 HB2 TYR 64 HB2 TYR 64 -3.347 3.256 0.568
211 HB3 TYR 64 HB1 TYR 64 -4.417 3.362 1.963
212 HD1 TYR 64 HD1 TYR 64 -3.660 1.594 -1.063
213 HD2 TYR 64 HD2 TYR 64 -6.742 2.355 1.770
214 HE1 TYR 64 HE1 TYR 64 -4.860 -0.406 -1.839
215 HE2 TYR 64 HE2 TYR 64 -7.951 0.356 1.001
216 HH TYR 64 HH TYR 64 -6.557 -2.018 -0.895
Start of MODEL 16
1 H1 LEU 1 H1 LEU 1 0.333 -16.749 -13.004
2 H2 LEU 1 H2 LEU 1 1.371 -17.985 -12.419
3 H3 LEU 1 H3 LEU 1 1.823 -16.335 -12.265
4 HA LEU 1 HA LEU 1 -0.283 -17.811 -10.858
5 HB2 LEU 1 HB1 LEU 1 2.313 -17.456 -10.272
6 HB3 LEU 1 HB2 LEU 1 1.673 -15.973 -9.591
7 HG LEU 1 HG LEU 1 0.652 -18.717 -8.864
8 HD11 LEU 1 HD11 LEU 1 3.140 -17.885 -8.277
9 HD12 LEU 1 HD12 LEU 1 2.172 -18.903 -7.210
10 HD13 LEU 1 HD13 LEU 1 2.251 -17.164 -6.936
11 HD21 LEU 1 HD21 LEU 1 -0.835 -16.692 -8.563
12 HD22 LEU 1 HD22 LEU 1 0.339 -16.121 -7.378
13 HD23 LEU 1 HD23 LEU 1 -0.512 -17.643 -7.114
14 HA PRO 2 HA PRO 2 -2.230 -13.712 -11.646
15 HB2 PRO 2 HB2 PRO 2 -4.780 -14.638 -11.564
16 HB3 PRO 2 HB1 PRO 2 -3.781 -14.706 -13.020
17 HG2 PRO 2 HG2 PRO 2 -4.363 -16.858 -11.021
18 HG3 PRO 2 HG1 PRO 2 -4.321 -16.958 -12.791
19 HD2 PRO 2 HD2 PRO 2 -2.266 -17.791 -11.237
20 HD3 PRO 2 HD1 PRO 2 -2.022 -17.103 -12.856
21 H SER 3 H SER 3 -1.604 -12.914 -9.613
22 HA SER 3 HA SER 3 -3.706 -12.863 -7.657
23 HB2 SER 3 HB1 SER 3 -1.073 -14.200 -7.013
24 HB3 SER 3 HB2 SER 3 -2.177 -13.597 -5.776
25 HG SER 3 HG SER 3 -2.867 -15.612 -6.007
26 H ASP 4 H ASP 4 -3.808 -10.697 -7.594
27 HA ASP 4 HA ASP 4 -1.384 -9.258 -6.761
28 HB2 ASP 4 HB1 ASP 4 -2.015 -8.954 -9.235
29 HB3 ASP 4 HB2 ASP 4 -3.396 -8.038 -8.640
30 H ASP 5 H ASP 5 -2.210 -9.380 -4.620
31 HA ASP 5 HA ASP 5 -4.661 -7.846 -4.112
32 HB2 ASP 5 HB1 ASP 5 -3.103 -9.794 -2.411
33 HB3 ASP 5 HB2 ASP 5 -4.411 -8.803 -1.772
34 H LEU 6 H LEU 6 -4.689 -6.084 -2.736
35 HA LEU 6 HA LEU 6 -2.050 -4.908 -2.181
36 HB2 LEU 6 HB1 LEU 6 -4.699 -3.761 -2.917
37 HB3 LEU 6 HB2 LEU 6 -3.637 -2.802 -1.903
38 HG LEU 6 HG LEU 6 -3.366 -2.182 -4.233
39 HD11 LEU 6 HD11 LEU 6 -1.382 -2.513 -2.519
40 HD12 LEU 6 HD12 LEU 6 -1.095 -2.027 -4.191
41 HD13 LEU 6 HD13 LEU 6 -0.876 -3.710 -3.712
42 HD21 LEU 6 HD21 LEU 6 -2.403 -4.982 -4.767
43 HD22 LEU 6 HD22 LEU 6 -2.685 -3.688 -5.930
44 HD23 LEU 6 HD23 LEU 6 -4.048 -4.446 -5.107
45 H GLU 7 H GLU 7 -5.121 -5.799 -0.776
46 HA GLU 7 HA GLU 7 -4.927 -4.461 1.674
47 HB2 GLU 7 HB1 GLU 7 -6.466 -6.234 2.520
48 HB3 GLU 7 HB2 GLU 7 -7.001 -5.484 1.022
49 HG2 GLU 7 HG1 GLU 7 -7.324 -7.586 0.344
50 HG3 GLU 7 HG2 GLU 7 -5.583 -7.588 0.073
51 H PHE 8 H PHE 8 -3.431 -7.400 0.524
52 HA PHE 8 HA PHE 8 -2.501 -8.197 3.138
53 HB2 PHE 8 HB2 PHE 8 -3.020 -9.879 1.412
54 HB3 PHE 8 HB1 PHE 8 -1.737 -9.228 0.397
55 HD1 PHE 8 HD1 PHE 8 -1.941 -10.131 4.013
56 HD2 PHE 8 HD2 PHE 8 0.017 -10.695 0.277
57 HE1 PHE 8 HE1 PHE 8 -0.327 -11.640 5.092
58 HE2 PHE 8 HE2 PHE 8 1.635 -12.207 1.349
59 HZ PHE 8 HZ PHE 8 1.464 -12.681 3.760
60 H TRP 9 H TRP 9 -0.999 -6.945 0.165
61 HA TRP 9 HA TRP 9 1.596 -6.715 1.313
62 HB2 TRP 9 HB2 TRP 9 0.692 -6.714 -1.227
63 HB3 TRP 9 HB1 TRP 9 0.888 -4.981 -0.985
64 HD1 TRP 9 HD1 TRP 9 2.782 -7.918 -2.067
65 HE1 TRP 9 HE1 TRP 9 5.310 -7.437 -2.082
66 HE3 TRP 9 HE3 TRP 9 2.798 -3.577 0.635
67 HZ2 TRP 9 HZ2 TRP 9 7.077 -5.476 -1.081
68 HZ3 TRP 9 HZ3 TRP 9 4.949 -2.463 1.062
69 HH2 TRP 9 HH2 TRP 9 7.044 -3.394 0.221
70 H CYS 10 H CYS 10 -0.616 -4.145 0.196
71 HA CYS 10 HA CYS 10 0.746 -2.151 1.735
72 HB2 CYS 10 HB2 CYS 10 -0.733 -1.996 -0.484
73 HB3 CYS 10 HB1 CYS 10 -1.995 -1.642 0.692
74 H HIS 11 H HIS 11 0.489 -3.456 3.773
75 HA HIS 11 HA HIS 11 -1.354 -2.214 5.482
76 HB2 HIS 11 HB1 HIS 11 -2.686 -4.067 4.050
77 HB3 HIS 11 HB2 HIS 11 -2.108 -5.080 5.369
78 HD1 HIS 11 HD1 HIS 11 -4.234 -5.407 6.656
79 HD2 HIS 11 HD2 HIS 11 -3.477 -1.408 5.820
80 HE1 HIS 11 HE1 HIS 11 -5.959 -4.113 7.949
81 HE2 HIS 11 HE2 HIS 11 -5.535 -1.699 7.360
82 H VAL 12 H VAL 12 0.322 -5.313 4.987
83 HA VAL 12 HA VAL 12 0.935 -5.696 7.734
84 HB VAL 12 HB VAL 12 0.879 -7.559 6.129
85 HG11 VAL 12 HG11 VAL 12 2.234 -5.982 4.432
86 HG12 VAL 12 HG21 VAL 12 2.187 -7.740 4.297
87 HG13 VAL 12 HG13 VAL 12 3.564 -6.952 5.067
88 HG21 VAL 12 HG12 VAL 12 3.114 -7.012 7.945
89 HG22 VAL 12 HG22 VAL 12 3.422 -8.289 6.767
90 HG23 VAL 12 HG23 VAL 12 2.039 -8.407 7.854
91 H MET 13 H MET 13 2.563 -4.099 5.076
92 HA MET 13 HA MET 13 4.910 -3.591 6.754
93 HB2 MET 13 HB1 MET 13 4.497 -2.908 3.840
94 HB3 MET 13 HB2 MET 13 6.010 -2.842 4.733
95 HG2 MET 13 HG1 MET 13 4.431 -5.340 4.159
96 HG3 MET 13 HG2 MET 13 5.860 -4.806 3.279
97 HE1 MET 13 HE1 MET 13 8.590 -4.915 6.063
98 HE2 MET 13 HE2 MET 13 7.775 -3.737 5.035
99 HE3 MET 13 HE3 MET 13 8.473 -5.193 4.326
100 H TYR 14 H TYR 14 2.819 -1.728 4.539
101 HA TYR 14 HA TYR 14 3.590 0.768 5.720
102 HB2 TYR 14 HB2 TYR 14 1.509 -0.001 3.677
103 HB3 TYR 14 HB1 TYR 14 1.695 1.652 4.252
104 HD1 TYR 14 HD1 TYR 14 4.015 2.733 3.980
105 HD2 TYR 14 HD2 TYR 14 2.819 -0.790 1.915
106 HE1 TYR 14 HE1 TYR 14 5.786 3.113 2.315
107 HE2 TYR 14 HE2 TYR 14 4.587 -0.420 0.248
108 HH TYR 14 HH TYR 14 7.033 1.012 0.443
109 H1 LEU 51 H1 LEU 51 6.327 -2.437 -17.531
110 H2 LEU 51 H2 LEU 51 6.829 -4.066 -17.717
111 H3 LEU 51 H3 LEU 51 7.997 -2.811 -17.623
112 HA LEU 51 HA LEU 51 8.005 -3.830 -15.569
113 HB2 LEU 51 HB1 LEU 51 7.603 -1.219 -15.904
114 HB3 LEU 51 HB2 LEU 51 6.136 -1.578 -15.014
115 HG LEU 51 HG LEU 51 7.655 -2.651 -13.255
116 HD11 LEU 51 HD11 LEU 51 9.952 -1.527 -13.263
117 HD12 LEU 51 HD12 LEU 51 9.670 -1.253 -14.983
118 HD13 LEU 51 HD13 LEU 51 9.707 -2.897 -14.345
119 HD21 LEU 51 HD21 LEU 51 8.362 -0.276 -12.456
120 HD22 LEU 51 HD22 LEU 51 6.651 -0.688 -12.579
121 HD23 LEU 51 HD23 LEU 51 7.422 0.268 -13.845
122 HA PRO 52 HA PRO 52 3.980 -6.051 -15.321
123 HB2 PRO 52 HB2 PRO 52 5.041 -8.364 -14.379
124 HB3 PRO 52 HB1 PRO 52 4.984 -7.967 -16.101
125 HG2 PRO 52 HG2 PRO 52 7.260 -7.710 -14.171
126 HG3 PRO 52 HG1 PRO 52 7.269 -8.316 -15.838
127 HD2 PRO 52 HD2 PRO 52 8.069 -5.811 -15.195
128 HD3 PRO 52 HD1 PRO 52 7.291 -6.196 -16.743
129 H SER 53 H SER 53 6.625 -5.862 -12.986
130 HA SER 53 HA SER 53 4.731 -6.211 -10.779
131 HB2 SER 53 HB1 SER 53 7.757 -6.129 -10.804
132 HB3 SER 53 HB2 SER 53 6.771 -6.346 -9.358
133 HG SER 53 HG SER 53 7.545 -8.177 -11.150
134 H ASP 54 H ASP 54 3.680 -4.278 -10.597
135 HA ASP 54 HA ASP 54 4.831 -1.738 -10.872
136 HB2 ASP 54 HB1 ASP 54 2.386 -2.667 -9.363
137 HB3 ASP 54 HB2 ASP 54 2.821 -0.970 -9.531
138 H ASP 55 H ASP 55 5.292 -0.140 -9.244
139 HA ASP 55 HA ASP 55 6.712 -1.300 -6.984
140 HB2 ASP 55 HB1 ASP 55 6.605 1.602 -7.821
141 HB3 ASP 55 HB2 ASP 55 7.782 0.841 -6.755
142 H LEU 56 H LEU 56 6.581 -0.179 -4.855
143 HA LEU 56 HA LEU 56 3.771 0.426 -4.241
144 HB2 LEU 56 HB1 LEU 56 6.012 -0.596 -2.499
145 HB3 LEU 56 HB2 LEU 56 4.437 -0.129 -1.884
146 HG LEU 56 HG LEU 56 4.528 -2.527 -2.098
147 HD11 LEU 56 HD11 LEU 56 2.538 -2.888 -3.282
148 HD12 LEU 56 HD12 LEU 56 2.869 -1.575 -4.411
149 HD13 LEU 56 HD13 LEU 56 2.443 -1.213 -2.739
150 HD21 LEU 56 HD21 LEU 56 5.334 -3.675 -3.876
151 HD22 LEU 56 HD22 LEU 56 6.241 -2.184 -4.122
152 HD23 LEU 56 HD23 LEU 56 4.769 -2.482 -5.044
153 H GLU 57 H GLU 57 5.559 2.404 -5.322
154 HA GLU 57 HA GLU 57 6.065 4.159 -3.029
155 HB2 GLU 57 HB1 GLU 57 7.239 5.582 -4.768
156 HB3 GLU 57 HB2 GLU 57 7.969 4.019 -4.431
157 HG2 GLU 57 HG1 GLU 57 7.093 3.095 -6.449
158 HG3 GLU 57 HG2 GLU 57 6.123 4.537 -6.747
159 H PHE 58 H PHE 58 4.309 4.005 -6.088
160 HA PHE 58 HA PHE 58 2.987 6.545 -5.468
161 HB2 PHE 58 HB2 PHE 58 3.930 6.252 -7.737
162 HB3 PHE 58 HB1 PHE 58 2.863 4.875 -7.987
163 HD1 PHE 58 HD1 PHE 58 0.506 5.180 -8.385
164 HD2 PHE 58 HD2 PHE 58 3.062 8.515 -7.709
165 HE1 PHE 58 HE1 PHE 58 -1.248 6.690 -9.220
166 HE2 PHE 58 HE2 PHE 58 1.312 10.031 -8.542
167 HZ PHE 58 HZ PHE 58 -0.847 9.118 -9.299
168 H TRP 59 H TRP 59 2.312 3.134 -6.055
169 HA TRP 59 HA TRP 59 -0.484 3.253 -6.024
170 HB2 TRP 59 HB2 TRP 59 1.321 1.270 -6.406
171 HB3 TRP 59 HB1 TRP 59 0.759 0.871 -4.787
172 HD1 TRP 59 HD1 TRP 59 -0.040 0.199 -8.279
173 HE1 TRP 59 HE1 TRP 59 -2.423 -0.737 -8.529
174 HE3 TRP 59 HE3 TRP 59 -1.856 1.348 -3.639
175 HZ2 TRP 59 HZ2 TRP 59 -4.765 -0.961 -6.967
176 HZ3 TRP 59 HZ3 TRP 59 -4.177 0.738 -3.097
177 HH2 TRP 59 HH2 TRP 59 -5.600 -0.392 -4.727
178 H CYS 60 H CYS 60 1.735 2.418 -3.357
179 HA CYS 60 HA CYS 60 -0.392 2.601 -1.418
180 HB2 CYS 60 HB2 CYS 60 2.556 2.026 -1.252
181 HB3 CYS 60 HB1 CYS 60 1.597 2.288 0.201
182 H HIS 61 H HIS 61 -0.895 4.867 -2.025
183 HA HIS 61 HA HIS 61 0.016 6.662 -0.071
184 HB2 HIS 61 HB1 HIS 61 1.919 6.485 -1.965
185 HB3 HIS 61 HB2 HIS 61 0.905 7.725 -2.694
186 HD1 HIS 61 HD1 HIS 61 1.974 7.224 0.927
187 HD2 HIS 61 HD2 HIS 61 2.110 10.069 -2.098
188 HE1 HIS 61 HE1 HIS 61 3.023 9.259 1.965
189 HE2 HIS 61 HE2 HIS 61 3.016 10.996 0.139
190 H VAL 62 H VAL 62 -1.177 6.521 -3.416
191 HA VAL 62 HA VAL 62 -2.940 8.771 -2.991
192 HB VAL 62 HB VAL 62 -1.890 8.432 -5.185
193 HG11 VAL 62 HG11 VAL 62 -1.737 6.082 -5.373
194 HG12 VAL 62 HG21 VAL 62 -2.841 6.603 -6.646
195 HG13 VAL 62 HG13 VAL 62 -3.477 5.877 -5.170
196 HG21 VAL 62 HG12 VAL 62 -4.071 9.607 -4.961
197 HG22 VAL 62 HG22 VAL 62 -4.881 8.090 -5.356
198 HG23 VAL 62 HG23 VAL 62 -3.826 8.862 -6.540
199 H MET 63 H MET 63 -3.144 5.284 -3.024
200 HA MET 63 HA MET 63 -6.056 5.345 -2.876
201 HB2 MET 63 HB1 MET 63 -4.052 3.098 -3.055
202 HB3 MET 63 HB2 MET 63 -5.767 2.819 -2.787
203 HG2 MET 63 HG1 MET 63 -4.539 4.185 -5.172
204 HG3 MET 63 HG2 MET 63 -5.196 2.549 -5.125
205 HE1 MET 63 HE1 MET 63 -8.400 2.817 -3.882
206 HE2 MET 63 HE2 MET 63 -7.321 1.859 -4.897
207 HE3 MET 63 HE3 MET 63 -8.700 2.688 -5.615
208 H TYR 64 H TYR 64 -3.403 3.888 -0.983
209 HA TYR 64 HA TYR 64 -5.145 3.722 1.341
210 HB2 TYR 64 HB2 TYR 64 -2.349 2.740 0.781
211 HB3 TYR 64 HB1 TYR 64 -3.081 2.638 2.378
212 HD1 TYR 64 HD1 TYR 64 -4.826 1.040 2.845
213 HD2 TYR 64 HD2 TYR 64 -3.203 1.383 -1.073
214 HE1 TYR 64 HE1 TYR 64 -5.896 -1.084 2.221
215 HE2 TYR 64 HE2 TYR 64 -4.270 -0.740 -1.708
216 HH TYR 64 HH TYR 64 -5.070 -2.890 -0.299
Start of MODEL 17
1 H1 LEU 1 H1 LEU 1 -11.494 -11.240 -2.595
2 H2 LEU 1 H2 LEU 1 -11.386 -11.249 -4.308
3 H3 LEU 1 H3 LEU 1 -11.311 -9.765 -3.448
4 HA LEU 1 HA LEU 1 -9.160 -10.398 -4.177
5 HB2 LEU 1 HB1 LEU 1 -8.083 -10.440 -1.917
6 HB3 LEU 1 HB2 LEU 1 -9.278 -9.177 -2.136
7 HG LEU 1 HG LEU 1 -10.183 -11.732 -0.907
8 HD11 LEU 1 HD11 LEU 1 -9.380 -11.187 1.250
9 HD12 LEU 1 HD12 LEU 1 -8.763 -9.628 0.706
10 HD13 LEU 1 HD13 LEU 1 -7.990 -11.120 0.169
11 HD21 LEU 1 HD21 LEU 1 -10.839 -9.014 0.095
12 HD22 LEU 1 HD22 LEU 1 -11.855 -10.450 -0.036
13 HD23 LEU 1 HD23 LEU 1 -11.485 -9.497 -1.473
14 HA PRO 2 HA PRO 2 -9.307 -15.033 -4.082
15 HB2 PRO 2 HB2 PRO 2 -8.284 -15.367 -6.573
16 HB3 PRO 2 HB1 PRO 2 -10.006 -15.111 -6.270
17 HG2 PRO 2 HG2 PRO 2 -7.924 -13.146 -7.141
18 HG3 PRO 2 HG1 PRO 2 -9.584 -13.351 -7.730
19 HD2 PRO 2 HD2 PRO 2 -8.895 -11.416 -5.967
20 HD3 PRO 2 HD1 PRO 2 -10.492 -12.191 -5.957
21 H SER 3 H SER 3 -6.753 -13.006 -5.522
22 HA SER 3 HA SER 3 -4.779 -13.993 -3.713
23 HB2 SER 3 HB1 SER 3 -4.825 -15.023 -6.542
24 HB3 SER 3 HB2 SER 3 -3.316 -14.899 -5.641
25 HG SER 3 HG SER 3 -5.484 -16.605 -5.265
26 H ASP 4 H ASP 4 -2.919 -12.747 -3.716
27 HA ASP 4 HA ASP 4 -1.649 -10.888 -4.040
28 HB2 ASP 4 HB1 ASP 4 -2.629 -11.212 -6.883
29 HB3 ASP 4 HB2 ASP 4 -1.337 -10.123 -6.389
30 H ASP 5 H ASP 5 -2.450 -9.212 -2.940
31 HA ASP 5 HA ASP 5 -4.269 -7.403 -4.329
32 HB2 ASP 5 HB1 ASP 5 -4.844 -8.774 -1.727
33 HB3 ASP 5 HB2 ASP 5 -5.459 -7.147 -2.005
34 H LEU 6 H LEU 6 -4.386 -5.264 -3.286
35 HA LEU 6 HA LEU 6 -1.761 -4.491 -2.334
36 HB2 LEU 6 HB1 LEU 6 -4.172 -3.061 -3.347
37 HB3 LEU 6 HB2 LEU 6 -3.035 -2.171 -2.351
38 HG LEU 6 HG LEU 6 -2.644 -1.894 -4.782
39 HD11 LEU 6 HD11 LEU 6 -0.705 -1.387 -3.730
40 HD12 LEU 6 HD12 LEU 6 -0.153 -2.832 -4.578
41 HD13 LEU 6 HD13 LEU 6 -0.629 -2.932 -2.883
42 HD21 LEU 6 HD21 LEU 6 -2.024 -3.634 -6.184
43 HD22 LEU 6 HD22 LEU 6 -3.308 -4.353 -5.214
44 HD23 LEU 6 HD23 LEU 6 -1.621 -4.705 -4.843
45 H GLU 7 H GLU 7 -5.011 -4.816 -1.097
46 HA GLU 7 HA GLU 7 -4.774 -3.304 1.247
47 HB2 GLU 7 HB1 GLU 7 -6.662 -4.598 2.082
48 HB3 GLU 7 HB2 GLU 7 -6.915 -4.169 0.396
49 HG2 GLU 7 HG1 GLU 7 -5.847 -6.533 -0.024
50 HG3 GLU 7 HG2 GLU 7 -6.399 -6.825 1.623
51 H PHE 8 H PHE 8 -3.675 -6.522 0.449
52 HA PHE 8 HA PHE 8 -3.008 -7.166 3.192
53 HB2 PHE 8 HB2 PHE 8 -3.774 -8.855 1.451
54 HB3 PHE 8 HB1 PHE 8 -2.181 -8.685 0.719
55 HD1 PHE 8 HD1 PHE 8 -0.174 -8.988 2.409
56 HD2 PHE 8 HD2 PHE 8 -4.096 -10.535 2.979
57 HE1 PHE 8 HE1 PHE 8 0.722 -10.674 3.961
58 HE2 PHE 8 HE2 PHE 8 -3.210 -12.225 4.532
59 HZ PHE 8 HZ PHE 8 -0.798 -12.296 5.026
60 H TRP 9 H TRP 9 -1.326 -6.264 0.219
61 HA TRP 9 HA TRP 9 1.292 -6.515 1.328
62 HB2 TRP 9 HB2 TRP 9 0.369 -6.350 -1.199
63 HB3 TRP 9 HB1 TRP 9 0.868 -4.678 -0.960
64 HD1 TRP 9 HD1 TRP 9 2.222 -8.069 -1.747
65 HE1 TRP 9 HE1 TRP 9 4.789 -7.972 -1.920
66 HE3 TRP 9 HE3 TRP 9 2.990 -3.400 0.189
67 HZ2 TRP 9 HZ2 TRP 9 6.863 -6.155 -1.316
68 HZ3 TRP 9 HZ3 TRP 9 5.296 -2.557 0.357
69 HH2 TRP 9 HH2 TRP 9 7.191 -3.907 -0.381
70 H CYS 10 H CYS 10 -1.080 -3.962 1.147
71 HA CYS 10 HA CYS 10 0.827 -2.004 2.181
72 HB2 CYS 10 HB2 CYS 10 -1.122 -1.703 0.340
73 HB3 CYS 10 HB1 CYS 10 -2.012 -1.251 1.789
74 H HIS 11 H HIS 11 0.282 -4.082 3.935
75 HA HIS 11 HA HIS 11 -0.952 -2.600 6.122
76 HB2 HIS 11 HB1 HIS 11 -2.516 -4.388 4.845
77 HB3 HIS 11 HB2 HIS 11 -1.725 -5.461 5.993
78 HD1 HIS 11 HD1 HIS 11 -4.709 -3.695 5.721
79 HD2 HIS 11 HD2 HIS 11 -1.876 -4.005 8.746
80 HE1 HIS 11 HE1 HIS 11 -5.904 -3.029 7.831
81 HE2 HIS 11 HE2 HIS 11 -4.147 -3.140 9.634
82 H VAL 12 H VAL 12 0.656 -5.620 5.158
83 HA VAL 12 HA VAL 12 1.730 -6.112 7.760
84 HB VAL 12 HB VAL 12 1.325 -7.943 6.175
85 HG11 VAL 12 HG11 VAL 12 3.752 -7.293 4.602
86 HG12 VAL 12 HG21 VAL 12 2.285 -6.382 4.245
87 HG13 VAL 12 HG13 VAL 12 2.283 -8.142 4.123
88 HG21 VAL 12 HG12 VAL 12 3.328 -7.768 7.943
89 HG22 VAL 12 HG22 VAL 12 4.265 -8.046 6.476
90 HG23 VAL 12 HG23 VAL 12 3.030 -9.208 6.967
91 H MET 13 H MET 13 2.894 -4.565 4.826
92 HA MET 13 HA MET 13 5.514 -4.110 6.044
93 HB2 MET 13 HB1 MET 13 4.587 -3.346 3.273
94 HB3 MET 13 HB2 MET 13 6.242 -3.387 3.865
95 HG2 MET 13 HG1 MET 13 4.436 -5.766 3.503
96 HG3 MET 13 HG2 MET 13 5.757 -5.293 2.438
97 HE1 MET 13 HE1 MET 13 5.654 -7.842 2.939
98 HE2 MET 13 HE2 MET 13 5.807 -8.510 4.564
99 HE3 MET 13 HE3 MET 13 7.235 -8.340 3.544
100 H TYR 14 H TYR 14 3.095 -2.163 4.282
101 HA TYR 14 HA TYR 14 4.130 0.276 5.425
102 HB2 TYR 14 HB2 TYR 14 1.925 -0.382 3.493
103 HB3 TYR 14 HB1 TYR 14 2.047 1.229 4.193
104 HD1 TYR 14 HD1 TYR 14 3.915 2.694 3.625
105 HD2 TYR 14 HD2 TYR 14 3.553 -1.172 1.887
106 HE1 TYR 14 HE1 TYR 14 5.570 3.315 1.915
107 HE2 TYR 14 HE2 TYR 14 5.208 -0.562 0.172
108 HH TYR 14 HH TYR 14 7.245 1.313 0.164
109 H1 LEU 51 H1 LEU 51 4.820 -7.112 -16.582
110 H2 LEU 51 H2 LEU 51 4.766 -5.397 -16.607
111 H3 LEU 51 H3 LEU 51 3.390 -6.294 -16.109
112 HA LEU 51 HA LEU 51 4.852 -7.219 -14.317
113 HB2 LEU 51 HB1 LEU 51 6.453 -4.876 -15.334
114 HB3 LEU 51 HB2 LEU 51 6.657 -5.525 -13.718
115 HG LEU 51 HG LEU 51 7.035 -7.790 -15.004
116 HD11 LEU 51 HD11 LEU 51 6.546 -6.285 -17.173
117 HD12 LEU 51 HD12 LEU 51 7.579 -7.714 -17.190
118 HD13 LEU 51 HD13 LEU 51 8.297 -6.108 -17.069
119 HD21 LEU 51 HD21 LEU 51 9.355 -7.461 -14.811
120 HD22 LEU 51 HD22 LEU 51 8.636 -6.416 -13.586
121 HD23 LEU 51 HD23 LEU 51 9.217 -5.727 -15.102
122 HA PRO 52 HA PRO 52 1.776 -3.983 -13.059
123 HB2 PRO 52 HB2 PRO 52 0.262 -5.652 -11.547
124 HB3 PRO 52 HB1 PRO 52 0.037 -5.468 -13.291
125 HG2 PRO 52 HG2 PRO 52 1.494 -7.607 -11.784
126 HG3 PRO 52 HG1 PRO 52 0.392 -7.763 -13.166
127 HD2 PRO 52 HD2 PRO 52 3.084 -7.850 -13.434
128 HD3 PRO 52 HD1 PRO 52 2.022 -7.188 -14.692
129 H SER 53 H SER 53 3.649 -3.153 -11.866
130 HA SER 53 HA SER 53 3.354 -3.669 -9.011
131 HB2 SER 53 HB1 SER 53 5.839 -4.161 -10.596
132 HB3 SER 53 HB2 SER 53 5.998 -3.506 -8.966
133 HG SER 53 HG SER 53 4.557 -5.326 -8.360
134 H ASP 54 H ASP 54 5.778 -1.917 -10.936
135 HA ASP 54 HA ASP 54 6.386 0.273 -10.990
136 HB2 ASP 54 HB1 ASP 54 3.441 0.544 -10.407
137 HB3 ASP 54 HB2 ASP 54 4.483 1.949 -10.610
138 H ASP 55 H ASP 55 6.821 -1.182 -8.582
139 HA ASP 55 HA ASP 55 7.521 -0.857 -6.443
140 HB2 ASP 55 HB1 ASP 55 7.355 2.071 -7.189
141 HB3 ASP 55 HB2 ASP 55 8.197 1.415 -5.789
142 H LEU 56 H LEU 56 6.808 -0.234 -4.312
143 HA LEU 56 HA LEU 56 3.915 0.226 -4.240
144 HB2 LEU 56 HB1 LEU 56 5.859 -1.084 -2.377
145 HB3 LEU 56 HB2 LEU 56 4.319 -0.509 -1.770
146 HG LEU 56 HG LEU 56 4.326 -2.924 -2.342
147 HD11 LEU 56 HD11 LEU 56 2.169 -2.244 -2.347
148 HD12 LEU 56 HD12 LEU 56 2.314 -2.595 -4.069
149 HD13 LEU 56 HD13 LEU 56 2.467 -0.935 -3.491
150 HD21 LEU 56 HD21 LEU 56 4.430 -3.657 -4.611
151 HD22 LEU 56 HD22 LEU 56 5.866 -2.686 -4.292
152 HD23 LEU 56 HD23 LEU 56 4.521 -1.996 -5.200
153 H GLU 57 H GLU 57 5.693 2.425 -4.676
154 HA GLU 57 HA GLU 57 5.514 3.885 -2.131
155 HB2 GLU 57 HB1 GLU 57 7.136 5.444 -3.070
156 HB3 GLU 57 HB2 GLU 57 7.750 3.798 -3.146
157 HG2 GLU 57 HG1 GLU 57 7.143 3.679 -5.508
158 HG3 GLU 57 HG2 GLU 57 6.524 5.328 -5.431
159 H PHE 58 H PHE 58 4.488 3.871 -5.469
160 HA PHE 58 HA PHE 58 3.113 6.430 -5.140
161 HB2 PHE 58 HB2 PHE 58 4.457 5.856 -7.221
162 HB3 PHE 58 HB1 PHE 58 3.180 4.711 -7.619
163 HD1 PHE 58 HD1 PHE 58 4.329 7.976 -8.088
164 HD2 PHE 58 HD2 PHE 58 0.746 5.740 -7.569
165 HE1 PHE 58 HE1 PHE 58 3.050 9.785 -9.159
166 HE2 PHE 58 HE2 PHE 58 -0.540 7.543 -8.637
167 HZ PHE 58 HZ PHE 58 0.612 9.570 -9.435
168 H TRP 59 H TRP 59 2.480 3.006 -5.527
169 HA TRP 59 HA TRP 59 -0.331 3.266 -5.930
170 HB2 TRP 59 HB2 TRP 59 1.401 1.237 -6.304
171 HB3 TRP 59 HB1 TRP 59 0.732 0.765 -4.746
172 HD1 TRP 59 HD1 TRP 59 0.072 0.480 -8.359
173 HE1 TRP 59 HE1 TRP 59 -2.305 -0.415 -8.782
174 HE3 TRP 59 HE3 TRP 59 -1.864 1.054 -3.660
175 HZ2 TRP 59 HZ2 TRP 59 -4.684 -0.822 -7.319
176 HZ3 TRP 59 HZ3 TRP 59 -4.198 0.388 -3.256
177 HH2 TRP 59 HH2 TRP 59 -5.578 -0.531 -5.050
178 H CYS 60 H CYS 60 1.686 2.463 -3.118
179 HA CYS 60 HA CYS 60 -0.575 2.333 -1.347
180 HB2 CYS 60 HB2 CYS 60 2.366 1.990 -1.107
181 HB3 CYS 60 HB1 CYS 60 1.502 2.462 0.351
182 H HIS 61 H HIS 61 -1.130 4.613 -2.282
183 HA HIS 61 HA HIS 61 -0.853 6.462 -0.167
184 HB2 HIS 61 HB1 HIS 61 1.053 6.683 -2.421
185 HB3 HIS 61 HB2 HIS 61 0.269 8.180 -1.926
186 HD1 HIS 61 HD1 HIS 61 0.442 8.560 0.838
187 HD2 HIS 61 HD2 HIS 61 3.300 6.180 -1.016
188 HE1 HIS 61 HE1 HIS 61 2.386 8.480 2.432
189 HE2 HIS 61 HE2 HIS 61 4.069 6.965 1.326
190 H VAL 62 H VAL 62 -1.274 6.355 -3.703
191 HA VAL 62 HA VAL 62 -3.209 8.421 -3.783
192 HB VAL 62 HB VAL 62 -1.903 7.775 -5.760
193 HG11 VAL 62 HG11 VAL 62 -2.361 5.221 -5.088
194 HG12 VAL 62 HG21 VAL 62 -1.906 5.727 -6.716
195 HG13 VAL 62 HG13 VAL 62 -3.599 5.426 -6.328
196 HG21 VAL 62 HG12 VAL 62 -3.524 8.392 -7.217
197 HG22 VAL 62 HG22 VAL 62 -4.429 8.664 -5.728
198 HG23 VAL 62 HG23 VAL 62 -4.660 7.173 -6.641
199 H MET 63 H MET 63 -3.410 4.938 -3.409
200 HA MET 63 HA MET 63 -6.334 5.049 -3.465
201 HB2 MET 63 HB1 MET 63 -4.439 2.697 -3.343
202 HB3 MET 63 HB2 MET 63 -6.191 2.568 -3.378
203 HG2 MET 63 HG1 MET 63 -4.515 3.829 -5.535
204 HG3 MET 63 HG2 MET 63 -5.138 2.180 -5.568
205 HE1 MET 63 HE1 MET 63 -6.921 1.501 -6.601
206 HE2 MET 63 HE2 MET 63 -6.804 2.588 -7.985
207 HE3 MET 63 HE3 MET 63 -8.345 2.382 -7.153
208 H TYR 64 H TYR 64 -3.677 4.007 -1.353
209 HA TYR 64 HA TYR 64 -5.567 3.935 0.898
210 HB2 TYR 64 HB2 TYR 64 -2.849 2.665 0.536
211 HB3 TYR 64 HB1 TYR 64 -3.720 2.675 2.066
212 HD1 TYR 64 HD1 TYR 64 -5.962 1.518 2.190
213 HD2 TYR 64 HD2 TYR 64 -3.340 1.069 -1.129
214 HE1 TYR 64 HE1 TYR 64 -7.166 -0.519 1.521
215 HE2 TYR 64 HE2 TYR 64 -4.537 -0.968 -1.807
216 HH TYR 64 HH TYR 64 -6.863 -1.933 -1.479
Start of MODEL 18
1 H1 LEU 1 H1 LEU 1 -0.586 -14.293 -14.874
2 H2 LEU 1 H2 LEU 1 -0.465 -12.907 -13.869
3 H3 LEU 1 H3 LEU 1 -1.692 -14.073 -13.583
4 HA LEU 1 HA LEU 1 0.164 -15.703 -13.266
5 HB2 LEU 1 HB1 LEU 1 1.555 -13.079 -13.465
6 HB3 LEU 1 HB2 LEU 1 2.149 -14.221 -12.273
7 HG LEU 1 HG LEU 1 3.412 -14.405 -14.343
8 HD11 LEU 1 HD11 LEU 1 2.918 -16.421 -12.937
9 HD12 LEU 1 HD12 LEU 1 3.302 -16.763 -14.625
10 HD13 LEU 1 HD13 LEU 1 1.627 -16.814 -14.073
11 HD21 LEU 1 HD21 LEU 1 0.917 -15.339 -15.727
12 HD22 LEU 1 HD22 LEU 1 2.472 -14.894 -16.430
13 HD23 LEU 1 HD23 LEU 1 1.420 -13.648 -15.758
14 HA PRO 2 HA PRO 2 -1.356 -15.557 -9.134
15 HB2 PRO 2 HB2 PRO 2 1.384 -16.395 -8.311
16 HB3 PRO 2 HB1 PRO 2 -0.180 -17.120 -7.920
17 HG2 PRO 2 HG2 PRO 2 1.427 -18.252 -9.714
18 HG3 PRO 2 HG1 PRO 2 -0.330 -18.217 -9.959
19 HD2 PRO 2 HD2 PRO 2 1.798 -16.574 -11.252
20 HD3 PRO 2 HD1 PRO 2 0.286 -17.205 -11.934
21 H SER 3 H SER 3 -1.599 -13.344 -8.807
22 HA SER 3 HA SER 3 0.691 -11.992 -7.535
23 HB2 SER 3 HB1 SER 3 -0.548 -9.855 -8.272
24 HB3 SER 3 HB2 SER 3 0.287 -10.783 -9.518
25 HG SER 3 HG SER 3 -2.453 -10.482 -9.049
26 H ASP 4 H ASP 4 0.431 -11.300 -5.508
27 HA ASP 4 HA ASP 4 -1.845 -11.997 -4.001
28 HB2 ASP 4 HB1 ASP 4 0.698 -11.376 -3.358
29 HB3 ASP 4 HB2 ASP 4 -0.088 -9.855 -2.950
30 H ASP 5 H ASP 5 -2.637 -10.046 -2.408
31 HA ASP 5 HA ASP 5 -3.897 -8.120 -4.238
32 HB2 ASP 5 HB1 ASP 5 -4.808 -9.514 -1.770
33 HB3 ASP 5 HB2 ASP 5 -5.418 -7.887 -2.055
34 H LEU 6 H LEU 6 -4.486 -5.991 -3.177
35 HA LEU 6 HA LEU 6 -2.080 -4.824 -2.126
36 HB2 LEU 6 HB1 LEU 6 -4.754 -3.799 -2.979
37 HB3 LEU 6 HB2 LEU 6 -3.726 -2.773 -1.996
38 HG LEU 6 HG LEU 6 -3.388 -2.196 -4.296
39 HD11 LEU 6 HD11 LEU 6 -1.056 -2.325 -4.427
40 HD12 LEU 6 HD12 LEU 6 -1.006 -3.882 -3.601
41 HD13 LEU 6 HD13 LEU 6 -1.405 -2.419 -2.700
42 HD21 LEU 6 HD21 LEU 6 -2.837 -3.718 -6.012
43 HD22 LEU 6 HD22 LEU 6 -4.188 -4.444 -5.143
44 HD23 LEU 6 HD23 LEU 6 -2.547 -5.027 -4.865
45 H GLU 7 H GLU 7 -5.181 -5.818 -0.862
46 HA GLU 7 HA GLU 7 -5.164 -4.423 1.565
47 HB2 GLU 7 HB1 GLU 7 -6.619 -6.361 2.362
48 HB3 GLU 7 HB2 GLU 7 -7.189 -5.465 0.961
49 HG2 GLU 7 HG1 GLU 7 -7.021 -7.233 -0.401
50 HG3 GLU 7 HG2 GLU 7 -5.507 -7.775 0.323
51 H PHE 8 H PHE 8 -3.530 -7.344 0.560
52 HA PHE 8 HA PHE 8 -2.653 -7.960 3.257
53 HB2 PHE 8 HB2 PHE 8 -3.244 -9.715 1.519
54 HB3 PHE 8 HB1 PHE 8 -1.749 -9.280 0.697
55 HD1 PHE 8 HD1 PHE 8 -3.236 -11.274 3.239
56 HD2 PHE 8 HD2 PHE 8 0.425 -9.473 2.026
57 HE1 PHE 8 HE1 PHE 8 -1.995 -12.830 4.685
58 HE2 PHE 8 HE2 PHE 8 1.673 -11.027 3.470
59 HZ PHE 8 HZ PHE 8 0.462 -12.709 4.800
60 H TRP 9 H TRP 9 -1.184 -6.965 0.177
61 HA TRP 9 HA TRP 9 1.453 -6.769 1.161
62 HB2 TRP 9 HB2 TRP 9 0.388 -6.692 -1.308
63 HB3 TRP 9 HB1 TRP 9 0.629 -4.967 -1.049
64 HD1 TRP 9 HD1 TRP 9 2.400 -7.931 -2.283
65 HE1 TRP 9 HE1 TRP 9 4.928 -7.481 -2.475
66 HE3 TRP 9 HE3 TRP 9 2.661 -3.601 0.422
67 HZ2 TRP 9 HZ2 TRP 9 6.785 -5.545 -1.594
68 HZ3 TRP 9 HZ3 TRP 9 4.851 -2.513 0.700
69 HH2 TRP 9 HH2 TRP 9 6.870 -3.467 -0.287
70 H CYS 10 H CYS 10 -0.999 -4.257 0.555
71 HA CYS 10 HA CYS 10 0.611 -2.271 1.918
72 HB2 CYS 10 HB2 CYS 10 -1.071 -2.030 -0.146
73 HB3 CYS 10 HB1 CYS 10 -2.210 -1.707 1.155
74 H HIS 11 H HIS 11 0.569 -3.551 3.950
75 HA HIS 11 HA HIS 11 -1.161 -2.393 5.830
76 HB2 HIS 11 HB1 HIS 11 -2.557 -4.271 4.517
77 HB3 HIS 11 HB2 HIS 11 -1.792 -5.297 5.724
78 HD1 HIS 11 HD1 HIS 11 -4.758 -3.427 5.223
79 HD2 HIS 11 HD2 HIS 11 -2.245 -4.062 8.469
80 HE1 HIS 11 HE1 HIS 11 -6.126 -2.853 7.254
81 HE2 HIS 11 HE2 HIS 11 -4.611 -3.328 9.211
82 H VAL 12 H VAL 12 0.593 -5.419 5.165
83 HA VAL 12 HA VAL 12 1.493 -5.718 7.856
84 HB VAL 12 HB VAL 12 1.257 -7.650 6.357
85 HG11 VAL 12 HG11 VAL 12 2.326 -6.165 4.418
86 HG12 VAL 12 HG21 VAL 12 2.360 -7.929 4.394
87 HG13 VAL 12 HG13 VAL 12 3.777 -7.028 4.932
88 HG21 VAL 12 HG12 VAL 12 3.496 -8.690 6.830
89 HG22 VAL 12 HG22 VAL 12 2.698 -7.962 8.225
90 HG23 VAL 12 HG23 VAL 12 4.022 -7.115 7.425
91 H MET 13 H MET 13 2.822 -4.293 4.935
92 HA MET 13 HA MET 13 5.363 -3.743 6.255
93 HB2 MET 13 HB1 MET 13 4.510 -2.977 3.463
94 HB3 MET 13 HB2 MET 13 6.146 -2.997 4.106
95 HG2 MET 13 HG1 MET 13 4.388 -5.401 3.671
96 HG3 MET 13 HG2 MET 13 5.735 -4.899 2.651
97 HE1 MET 13 HE1 MET 13 8.380 -7.090 3.935
98 HE2 MET 13 HE2 MET 13 7.978 -5.767 2.841
99 HE3 MET 13 HE3 MET 13 7.014 -7.246 2.830
100 H TYR 14 H TYR 14 3.056 -1.798 4.349
101 HA TYR 14 HA TYR 14 3.965 0.630 5.606
102 HB2 TYR 14 HB2 TYR 14 1.732 0.093 3.637
103 HB3 TYR 14 HB1 TYR 14 2.189 1.698 4.201
104 HD1 TYR 14 HD1 TYR 14 2.696 -0.734 1.702
105 HD2 TYR 14 HD2 TYR 14 4.717 2.326 3.860
106 HE1 TYR 14 HE1 TYR 14 4.380 -0.595 -0.084
107 HE2 TYR 14 HE2 TYR 14 6.407 2.473 2.080
108 HH TYR 14 HH TYR 14 6.646 0.146 -0.425
109 H1 LEU 51 H1 LEU 51 0.901 -4.103 -17.490
110 H2 LEU 51 H2 LEU 51 -0.744 -4.325 -17.054
111 H3 LEU 51 H3 LEU 51 0.499 -4.650 -15.915
112 HA LEU 51 HA LEU 51 0.103 -2.002 -17.107
113 HB2 LEU 51 HB1 LEU 51 -1.428 -3.436 -15.032
114 HB3 LEU 51 HB2 LEU 51 -0.921 -1.815 -14.595
115 HG LEU 51 HG LEU 51 -2.072 -0.899 -16.538
116 HD11 LEU 51 HD11 LEU 51 -2.746 -3.777 -17.110
117 HD12 LEU 51 HD12 LEU 51 -1.843 -2.657 -18.130
118 HD13 LEU 51 HD13 LEU 51 -3.566 -2.406 -17.858
119 HD21 LEU 51 HD21 LEU 51 -4.104 -0.893 -15.546
120 HD22 LEU 51 HD22 LEU 51 -3.221 -1.712 -14.258
121 HD23 LEU 51 HD23 LEU 51 -4.166 -2.651 -15.413
122 HA PRO 52 HA PRO 52 4.010 -2.387 -14.628
123 HB2 PRO 52 HB2 PRO 52 5.518 -0.868 -16.295
124 HB3 PRO 52 HB1 PRO 52 5.272 -2.601 -16.538
125 HG2 PRO 52 HG2 PRO 52 3.899 -0.290 -17.857
126 HG3 PRO 52 HG1 PRO 52 4.510 -1.790 -18.580
127 HD2 PRO 52 HD2 PRO 52 1.892 -1.411 -18.000
128 HD3 PRO 52 HD1 PRO 52 2.666 -3.007 -17.918
129 H SER 53 H SER 53 5.628 -0.299 -14.347
130 HA SER 53 HA SER 53 5.887 1.704 -13.303
131 HB2 SER 53 HB1 SER 53 4.567 2.290 -15.572
132 HB3 SER 53 HB2 SER 53 3.370 2.836 -14.397
133 HG SER 53 HG SER 53 4.557 4.559 -14.283
134 H ASP 54 H ASP 54 4.349 -0.397 -12.022
135 HA ASP 54 HA ASP 54 2.560 1.216 -10.327
136 HB2 ASP 54 HB1 ASP 54 2.430 -1.592 -11.294
137 HB3 ASP 54 HB2 ASP 54 1.850 -1.281 -9.660
138 H ASP 55 H ASP 55 4.409 1.949 -9.115
139 HA ASP 55 HA ASP 55 5.838 -0.058 -7.555
140 HB2 ASP 55 HB1 ASP 55 6.193 2.873 -8.062
141 HB3 ASP 55 HB2 ASP 55 6.933 2.151 -6.636
142 H LEU 56 H LEU 56 5.910 -0.031 -5.266
143 HA LEU 56 HA LEU 56 3.414 0.320 -4.016
144 HB2 LEU 56 HB1 LEU 56 6.178 -0.290 -3.070
145 HB3 LEU 56 HB2 LEU 56 4.956 0.128 -1.886
146 HG LEU 56 HG LEU 56 5.115 -2.275 -2.076
147 HD11 LEU 56 HD11 LEU 56 2.827 -0.912 -2.041
148 HD12 LEU 56 HD12 LEU 56 2.883 -2.675 -2.051
149 HD13 LEU 56 HD13 LEU 56 2.594 -1.794 -3.550
150 HD21 LEU 56 HD21 LEU 56 5.904 -2.039 -4.553
151 HD22 LEU 56 HD22 LEU 56 4.184 -2.198 -4.911
152 HD23 LEU 56 HD23 LEU 56 5.025 -3.478 -4.037
153 H GLU 57 H GLU 57 6.261 2.362 -4.219
154 HA GLU 57 HA GLU 57 5.603 4.206 -2.206
155 HB2 GLU 57 HB1 GLU 57 7.122 5.751 -3.418
156 HB3 GLU 57 HB2 GLU 57 7.821 4.161 -3.157
157 HG2 GLU 57 HG1 GLU 57 6.682 3.845 -5.599
158 HG3 GLU 57 HG2 GLU 57 7.155 5.543 -5.648
159 H PHE 58 H PHE 58 4.561 3.904 -5.535
160 HA PHE 58 HA PHE 58 3.122 6.439 -5.405
161 HB2 PHE 58 HB2 PHE 58 4.434 5.708 -7.453
162 HB3 PHE 58 HB1 PHE 58 3.186 4.494 -7.713
163 HD1 PHE 58 HD1 PHE 58 0.784 5.307 -7.978
164 HD2 PHE 58 HD2 PHE 58 4.166 7.876 -8.245
165 HE1 PHE 58 HE1 PHE 58 -0.574 6.963 -9.188
166 HE2 PHE 58 HE2 PHE 58 2.815 9.537 -9.457
167 HZ PHE 58 HZ PHE 58 0.440 9.082 -9.929
168 H TRP 59 H TRP 59 2.520 2.973 -5.645
169 HA TRP 59 HA TRP 59 -0.286 3.144 -5.960
170 HB2 TRP 59 HB2 TRP 59 1.506 1.121 -6.121
171 HB3 TRP 59 HB1 TRP 59 0.800 0.784 -4.543
172 HD1 TRP 59 HD1 TRP 59 0.287 0.014 -8.071
173 HE1 TRP 59 HE1 TRP 59 -2.084 -0.893 -8.494
174 HE3 TRP 59 HE3 TRP 59 -1.891 1.335 -3.638
175 HZ2 TRP 59 HZ2 TRP 59 -4.551 -1.032 -7.130
176 HZ3 TRP 59 HZ3 TRP 59 -4.261 0.778 -3.276
177 HH2 TRP 59 HH2 TRP 59 -5.562 -0.380 -4.988
178 H CYS 60 H CYS 60 1.637 2.275 -3.079
179 HA CYS 60 HA CYS 60 -0.640 2.596 -1.350
180 HB2 CYS 60 HB2 CYS 60 2.266 1.956 -0.890
181 HB3 CYS 60 HB1 CYS 60 1.170 2.262 0.453
182 H HIS 61 H HIS 61 -1.006 4.860 -2.072
183 HA HIS 61 HA HIS 61 -0.243 6.680 -0.081
184 HB2 HIS 61 HB1 HIS 61 1.838 6.391 -1.771
185 HB3 HIS 61 HB2 HIS 61 0.947 7.652 -2.617
186 HD1 HIS 61 HD1 HIS 61 1.187 7.398 1.140
187 HD2 HIS 61 HD2 HIS 61 2.618 9.745 -1.977
188 HE1 HIS 61 HE1 HIS 61 2.314 9.361 2.237
189 HE2 HIS 61 HE2 HIS 61 3.246 10.722 0.332
190 H VAL 62 H VAL 62 -1.081 6.488 -3.531
191 HA VAL 62 HA VAL 62 -2.796 8.804 -3.358
192 HB VAL 62 HB VAL 62 -1.546 8.347 -5.421
193 HG11 VAL 62 HG11 VAL 62 -1.623 6.422 -6.588
194 HG12 VAL 62 HG21 VAL 62 -3.342 6.176 -6.275
195 HG13 VAL 62 HG13 VAL 62 -2.152 5.745 -5.046
196 HG21 VAL 62 HG12 VAL 62 -3.932 9.427 -5.279
197 HG22 VAL 62 HG22 VAL 62 -4.404 7.994 -6.192
198 HG23 VAL 62 HG23 VAL 62 -3.189 9.093 -6.843
199 H MET 63 H MET 63 -3.139 5.318 -3.362
200 HA MET 63 HA MET 63 -6.057 5.550 -3.376
201 HB2 MET 63 HB1 MET 63 -4.271 3.114 -3.516
202 HB3 MET 63 HB2 MET 63 -6.028 3.081 -3.579
203 HG2 MET 63 HG1 MET 63 -4.285 4.514 -5.567
204 HG3 MET 63 HG2 MET 63 -4.927 2.888 -5.790
205 HE1 MET 63 HE1 MET 63 -6.643 5.866 -7.970
206 HE2 MET 63 HE2 MET 63 -5.002 5.453 -7.474
207 HE3 MET 63 HE3 MET 63 -5.889 6.716 -6.620
208 H TYR 64 H TYR 64 -3.388 4.387 -1.380
209 HA TYR 64 HA TYR 64 -5.269 3.940 0.833
210 HB2 TYR 64 HB2 TYR 64 -2.512 2.896 0.247
211 HB3 TYR 64 HB1 TYR 64 -3.167 2.846 1.880
212 HD1 TYR 64 HD1 TYR 64 -3.143 1.294 -1.367
213 HD2 TYR 64 HD2 TYR 64 -5.296 1.558 2.292
214 HE1 TYR 64 HE1 TYR 64 -4.306 -0.803 -1.908
215 HE2 TYR 64 HE2 TYR 64 -6.465 -0.540 1.762
216 HH TYR 64 HH TYR 64 -6.196 -2.503 0.391
Start of MODEL 19
1 H1 LEU 1 H1 LEU 1 -7.797 -20.012 -2.708
2 H2 LEU 1 H2 LEU 1 -6.720 -21.307 -2.374
3 H3 LEU 1 H3 LEU 1 -7.744 -21.371 -3.751
4 HA LEU 1 HA LEU 1 -5.506 -20.851 -4.356
5 HB2 LEU 1 HB1 LEU 1 -7.740 -18.892 -4.678
6 HB3 LEU 1 HB2 LEU 1 -6.169 -18.499 -5.349
7 HG LEU 1 HG LEU 1 -7.340 -21.154 -6.020
8 HD11 LEU 1 HD11 LEU 1 -8.325 -18.517 -7.071
9 HD12 LEU 1 HD12 LEU 1 -9.265 -19.853 -6.407
10 HD13 LEU 1 HD13 LEU 1 -8.479 -20.023 -7.977
11 HD21 LEU 1 HD21 LEU 1 -5.939 -19.186 -7.801
12 HD22 LEU 1 HD22 LEU 1 -6.076 -20.936 -7.976
13 HD23 LEU 1 HD23 LEU 1 -5.050 -20.254 -6.715
14 HA PRO 2 HA PRO 2 -2.793 -18.445 -1.865
15 HB2 PRO 2 HB2 PRO 2 -2.127 -16.899 -4.326
16 HB3 PRO 2 HB1 PRO 2 -1.052 -17.722 -3.189
17 HG2 PRO 2 HG2 PRO 2 -1.573 -18.787 -5.571
18 HG3 PRO 2 HG1 PRO 2 -1.440 -19.808 -4.128
19 HD2 PRO 2 HD2 PRO 2 -3.874 -18.934 -5.616
20 HD3 PRO 2 HD1 PRO 2 -3.544 -20.473 -4.794
21 H SER 3 H SER 3 -4.663 -16.587 -4.244
22 HA SER 3 HA SER 3 -5.768 -14.604 -4.112
23 HB2 SER 3 HB1 SER 3 -6.681 -15.871 -2.040
24 HB3 SER 3 HB2 SER 3 -5.658 -14.776 -1.110
25 HG SER 3 HG SER 3 -6.778 -13.064 -2.363
26 H ASP 4 H ASP 4 -4.628 -12.896 -4.740
27 HA ASP 4 HA ASP 4 -2.780 -11.668 -2.807
28 HB2 ASP 4 HB1 ASP 4 -2.294 -11.750 -5.788
29 HB3 ASP 4 HB2 ASP 4 -1.193 -11.177 -4.537
30 H ASP 5 H ASP 5 -3.146 -9.578 -2.434
31 HA ASP 5 HA ASP 5 -4.402 -7.918 -4.472
32 HB2 ASP 5 HB1 ASP 5 -5.566 -8.099 -1.687
33 HB3 ASP 5 HB2 ASP 5 -6.176 -7.141 -3.033
34 H LEU 6 H LEU 6 -4.633 -5.587 -3.539
35 HA LEU 6 HA LEU 6 -2.010 -4.825 -2.633
36 HB2 LEU 6 HB1 LEU 6 -4.441 -3.399 -3.598
37 HB3 LEU 6 HB2 LEU 6 -3.269 -2.493 -2.658
38 HG LEU 6 HG LEU 6 -2.944 -2.269 -5.101
39 HD11 LEU 6 HD11 LEU 6 -0.459 -3.252 -4.945
40 HD12 LEU 6 HD12 LEU 6 -0.891 -3.281 -3.236
41 HD13 LEU 6 HD13 LEU 6 -0.963 -1.768 -4.138
42 HD21 LEU 6 HD21 LEU 6 -3.631 -4.387 -5.918
43 HD22 LEU 6 HD22 LEU 6 -2.458 -5.233 -4.910
44 HD23 LEU 6 HD23 LEU 6 -1.908 -4.247 -6.264
45 H GLU 7 H GLU 7 -5.205 -5.102 -1.258
46 HA GLU 7 HA GLU 7 -4.890 -3.523 1.026
47 HB2 GLU 7 HB1 GLU 7 -6.696 -4.888 2.001
48 HB3 GLU 7 HB2 GLU 7 -7.058 -4.391 0.354
49 HG2 GLU 7 HG1 GLU 7 -5.863 -6.796 -0.059
50 HG3 GLU 7 HG2 GLU 7 -6.684 -7.064 1.478
51 H PHE 8 H PHE 8 -3.776 -6.750 0.289
52 HA PHE 8 HA PHE 8 -3.017 -7.337 3.011
53 HB2 PHE 8 HB2 PHE 8 -3.730 -9.096 1.376
54 HB3 PHE 8 HB1 PHE 8 -2.240 -8.804 0.483
55 HD1 PHE 8 HD1 PHE 8 -0.036 -9.116 1.752
56 HD2 PHE 8 HD2 PHE 8 -3.773 -10.621 3.121
57 HE1 PHE 8 HE1 PHE 8 1.143 -10.727 3.190
58 HE2 PHE 8 HE2 PHE 8 -2.602 -12.233 4.562
59 HZ PHE 8 HZ PHE 8 -0.139 -12.288 4.598
60 H TRP 9 H TRP 9 -1.508 -6.091 0.117
61 HA TRP 9 HA TRP 9 1.172 -6.316 1.161
62 HB2 TRP 9 HB2 TRP 9 0.224 -6.191 -1.358
63 HB3 TRP 9 HB1 TRP 9 0.617 -4.491 -1.112
64 HD1 TRP 9 HD1 TRP 9 2.148 -7.622 -2.238
65 HE1 TRP 9 HE1 TRP 9 4.713 -7.420 -2.312
66 HE3 TRP 9 HE3 TRP 9 2.704 -3.311 0.454
67 HZ2 TRP 9 HZ2 TRP 9 6.708 -5.667 -1.356
68 HZ3 TRP 9 HZ3 TRP 9 4.974 -2.439 0.830
69 HH2 TRP 9 HH2 TRP 9 6.934 -3.593 -0.058
70 H CYS 10 H CYS 10 -0.951 -3.576 0.310
71 HA CYS 10 HA CYS 10 0.737 -1.684 1.647
72 HB2 CYS 10 HB2 CYS 10 -2.111 -1.284 0.716
73 HB3 CYS 10 HB1 CYS 10 -0.908 -0.036 1.026
74 H HIS 11 H HIS 11 0.677 -3.017 3.688
75 HA HIS 11 HA HIS 11 -0.832 -1.693 5.648
76 HB2 HIS 11 HB1 HIS 11 -2.458 -3.439 4.395
77 HB3 HIS 11 HB2 HIS 11 -1.768 -4.505 5.616
78 HD1 HIS 11 HD1 HIS 11 -4.763 -3.129 5.332
79 HD2 HIS 11 HD2 HIS 11 -1.786 -2.370 8.130
80 HE1 HIS 11 HE1 HIS 11 -5.948 -2.159 7.327
81 HE2 HIS 11 HE2 HIS 11 -4.136 -1.789 9.038
82 H VAL 12 H VAL 12 0.677 -4.798 4.832
83 HA VAL 12 HA VAL 12 1.627 -5.248 7.499
84 HB VAL 12 HB VAL 12 1.154 -7.126 5.989
85 HG11 VAL 12 HG11 VAL 12 2.351 -5.673 4.049
86 HG12 VAL 12 HG21 VAL 12 2.066 -7.411 3.951
87 HG13 VAL 12 HG13 VAL 12 3.643 -6.804 4.454
88 HG21 VAL 12 HG12 VAL 12 4.025 -6.888 6.881
89 HG22 VAL 12 HG22 VAL 12 3.256 -8.396 6.382
90 HG23 VAL 12 HG23 VAL 12 2.670 -7.535 7.807
91 H MET 13 H MET 13 2.912 -3.826 4.570
92 HA MET 13 HA MET 13 5.536 -3.490 5.832
93 HB2 MET 13 HB1 MET 13 4.749 -2.804 2.999
94 HB3 MET 13 HB2 MET 13 6.376 -2.936 3.651
95 HG2 MET 13 HG1 MET 13 4.450 -5.238 3.489
96 HG3 MET 13 HG2 MET 13 5.636 -4.858 2.242
97 HE1 MET 13 HE1 MET 13 8.585 -6.354 2.939
98 HE2 MET 13 HE2 MET 13 7.163 -6.154 1.914
99 HE3 MET 13 HE3 MET 13 7.341 -7.604 2.899
100 H TYR 14 H TYR 14 3.167 -1.543 4.011
101 HA TYR 14 HA TYR 14 4.329 0.905 5.054
102 HB2 TYR 14 HB2 TYR 14 2.133 0.324 3.073
103 HB3 TYR 14 HB1 TYR 14 2.450 1.953 3.659
104 HD1 TYR 14 HD1 TYR 14 3.772 -0.835 1.662
105 HD2 TYR 14 HD2 TYR 14 4.401 3.173 2.941
106 HE1 TYR 14 HE1 TYR 14 5.518 -0.570 -0.049
107 HE2 TYR 14 HE2 TYR 14 6.148 3.451 1.233
108 HH TYR 14 HH TYR 14 7.570 0.912 -0.372
109 H1 LEU 51 H1 LEU 51 10.169 -8.309 -6.722
110 H2 LEU 51 H2 LEU 51 9.208 -9.731 -6.648
111 H3 LEU 51 H3 LEU 51 8.912 -8.435 -5.563
112 HA LEU 51 HA LEU 51 8.386 -8.609 -8.437
113 HB2 LEU 51 HB1 LEU 51 6.869 -8.276 -5.892
114 HB3 LEU 51 HB2 LEU 51 6.225 -7.525 -7.341
115 HG LEU 51 HG LEU 51 6.975 -10.417 -7.416
116 HD11 LEU 51 HD11 LEU 51 5.066 -11.159 -6.376
117 HD12 LEU 51 HD12 LEU 51 4.222 -9.625 -6.590
118 HD13 LEU 51 HD13 LEU 51 5.486 -9.773 -5.369
119 HD21 LEU 51 HD21 LEU 51 5.225 -10.513 -9.071
120 HD22 LEU 51 HD22 LEU 51 6.326 -9.192 -9.464
121 HD23 LEU 51 HD23 LEU 51 4.760 -8.848 -8.728
122 HA PRO 52 HA PRO 52 10.059 -4.336 -7.994
123 HB2 PRO 52 HB2 PRO 52 10.964 -4.165 -10.545
124 HB3 PRO 52 HB1 PRO 52 11.897 -4.919 -9.247
125 HG2 PRO 52 HG2 PRO 52 10.207 -6.205 -11.358
126 HG3 PRO 52 HG1 PRO 52 11.809 -6.682 -10.764
127 HD2 PRO 52 HD2 PRO 52 9.531 -7.900 -9.952
128 HD3 PRO 52 HD1 PRO 52 10.946 -7.719 -8.895
129 H SER 53 H SER 53 7.983 -5.815 -10.407
130 HA SER 53 HA SER 53 7.088 -3.504 -11.710
131 HB2 SER 53 HB1 SER 53 5.802 -6.196 -11.252
132 HB3 SER 53 HB2 SER 53 5.021 -4.930 -12.199
133 HG SER 53 HG SER 53 7.458 -6.262 -12.722
134 H ASP 54 H ASP 54 5.262 -2.207 -11.429
135 HA ASP 54 HA ASP 54 3.754 -0.968 -10.261
136 HB2 ASP 54 HB1 ASP 54 3.315 -3.731 -9.245
137 HB3 ASP 54 HB2 ASP 54 2.582 -2.412 -8.338
138 H ASP 55 H ASP 55 4.916 0.565 -9.233
139 HA ASP 55 HA ASP 55 6.635 0.078 -7.037
140 HB2 ASP 55 HB1 ASP 55 5.355 2.671 -7.936
141 HB3 ASP 55 HB2 ASP 55 6.703 2.532 -6.812
142 H LEU 56 H LEU 56 6.147 -0.293 -4.985
143 HA LEU 56 HA LEU 56 3.454 -0.159 -4.042
144 HB2 LEU 56 HB1 LEU 56 6.079 -0.800 -2.718
145 HB3 LEU 56 HB2 LEU 56 4.573 -0.749 -1.821
146 HG LEU 56 HG LEU 56 5.041 -3.031 -2.365
147 HD11 LEU 56 HD11 LEU 56 3.007 -2.452 -4.440
148 HD12 LEU 56 HD12 LEU 56 2.681 -1.899 -2.797
149 HD13 LEU 56 HD13 LEU 56 2.975 -3.610 -3.110
150 HD21 LEU 56 HD21 LEU 56 6.434 -2.202 -4.451
151 HD22 LEU 56 HD22 LEU 56 4.928 -2.559 -5.297
152 HD23 LEU 56 HD23 LEU 56 5.749 -3.825 -4.383
153 H GLU 57 H GLU 57 6.285 1.869 -3.778
154 HA GLU 57 HA GLU 57 5.518 3.462 -1.607
155 HB2 GLU 57 HB1 GLU 57 7.063 5.151 -2.551
156 HB3 GLU 57 HB2 GLU 57 7.771 3.544 -2.486
157 HG2 GLU 57 HG1 GLU 57 7.508 3.240 -4.824
158 HG3 GLU 57 HG2 GLU 57 6.513 4.690 -4.962
159 H PHE 58 H PHE 58 4.661 3.603 -5.009
160 HA PHE 58 HA PHE 58 3.195 6.087 -4.656
161 HB2 PHE 58 HB2 PHE 58 4.511 5.588 -6.737
162 HB3 PHE 58 HB1 PHE 58 3.339 4.328 -7.110
163 HD1 PHE 58 HD1 PHE 58 3.872 7.946 -6.811
164 HD2 PHE 58 HD2 PHE 58 1.159 4.865 -7.932
165 HE1 PHE 58 HE1 PHE 58 2.446 9.612 -7.925
166 HE2 PHE 58 HE2 PHE 58 -0.273 6.526 -9.048
167 HZ PHE 58 HZ PHE 58 0.370 8.904 -9.045
168 H TRP 59 H TRP 59 2.522 2.684 -5.388
169 HA TRP 59 HA TRP 59 -0.256 2.904 -5.678
170 HB2 TRP 59 HB2 TRP 59 1.538 0.871 -5.916
171 HB3 TRP 59 HB1 TRP 59 0.731 0.423 -4.417
172 HD1 TRP 59 HD1 TRP 59 0.438 -0.103 -7.999
173 HE1 TRP 59 HE1 TRP 59 -1.921 -0.902 -8.646
174 HE3 TRP 59 HE3 TRP 59 -2.023 1.031 -3.663
175 HZ2 TRP 59 HZ2 TRP 59 -4.486 -1.035 -7.475
176 HZ3 TRP 59 HZ3 TRP 59 -4.428 0.536 -3.508
177 HH2 TRP 59 HH2 TRP 59 -5.633 -0.475 -5.376
178 H CYS 60 H CYS 60 1.573 1.795 -2.820
179 HA CYS 60 HA CYS 60 -0.737 1.957 -1.129
180 HB2 CYS 60 HB2 CYS 60 2.130 1.725 -0.222
181 HB3 CYS 60 HB1 CYS 60 0.681 1.193 0.625
182 H HIS 61 H HIS 61 -1.151 4.259 -1.747
183 HA HIS 61 HA HIS 61 -0.535 5.974 0.383
184 HB2 HIS 61 HB1 HIS 61 1.670 5.890 -1.018
185 HB3 HIS 61 HB2 HIS 61 0.801 6.954 -2.118
186 HD1 HIS 61 HD1 HIS 61 0.135 9.321 -1.182
187 HD2 HIS 61 HD2 HIS 61 2.602 7.076 1.297
188 HE1 HIS 61 HE1 HIS 61 1.039 10.943 0.516
189 HE2 HIS 61 HE2 HIS 61 2.459 9.545 2.056
190 H VAL 62 H VAL 62 -1.017 6.240 -3.144
191 HA VAL 62 HA VAL 62 -2.889 8.388 -2.872
192 HB VAL 62 HB VAL 62 -1.490 8.159 -4.877
193 HG11 VAL 62 HG11 VAL 62 -2.035 5.515 -4.778
194 HG12 VAL 62 HG21 VAL 62 -1.412 6.343 -6.205
195 HG13 VAL 62 HG13 VAL 62 -3.140 6.027 -6.054
196 HG21 VAL 62 HG12 VAL 62 -3.263 8.534 -6.558
197 HG22 VAL 62 HG22 VAL 62 -3.534 9.429 -5.063
198 HG23 VAL 62 HG23 VAL 62 -4.455 7.961 -5.391
199 H MET 63 H MET 63 -3.100 4.910 -3.148
200 HA MET 63 HA MET 63 -6.010 5.032 -3.416
201 HB2 MET 63 HB1 MET 63 -4.191 2.618 -3.408
202 HB3 MET 63 HB2 MET 63 -5.901 2.632 -3.811
203 HG2 MET 63 HG1 MET 63 -4.123 4.406 -5.375
204 HG3 MET 63 HG2 MET 63 -3.993 2.670 -5.651
205 HE1 MET 63 HE1 MET 63 -4.287 3.258 -7.881
206 HE2 MET 63 HE2 MET 63 -5.486 4.401 -8.486
207 HE3 MET 63 HE3 MET 63 -5.803 2.667 -8.562
208 H TYR 64 H TYR 64 -3.515 3.732 -1.256
209 HA TYR 64 HA TYR 64 -5.587 3.265 0.776
210 HB2 TYR 64 HB2 TYR 64 -2.832 2.110 0.381
211 HB3 TYR 64 HB1 TYR 64 -3.686 1.964 1.915
212 HD1 TYR 64 HD1 TYR 64 -3.531 0.856 -1.560
213 HD2 TYR 64 HD2 TYR 64 -5.700 0.586 2.088
214 HE1 TYR 64 HE1 TYR 64 -4.708 -1.124 -2.415
215 HE2 TYR 64 HE2 TYR 64 -6.884 -1.398 1.245
216 HH TYR 64 HH TYR 64 -5.915 -3.043 -1.604
Start of MODEL 20
1 H1 LEU 1 H1 LEU 1 -3.864 -20.719 -4.430
2 H2 LEU 1 H2 LEU 1 -3.218 -20.647 -2.841
3 H3 LEU 1 H3 LEU 1 -2.818 -21.958 -3.874
4 HA LEU 1 HA LEU 1 -0.980 -20.631 -3.935
5 HB2 LEU 1 HB1 LEU 1 -2.878 -20.346 -6.211
6 HB3 LEU 1 HB2 LEU 1 -1.406 -19.393 -6.256
7 HG LEU 1 HG LEU 1 -0.293 -21.749 -5.737
8 HD11 LEU 1 HD11 LEU 1 -2.473 -22.710 -7.509
9 HD12 LEU 1 HD12 LEU 1 -2.778 -22.646 -5.773
10 HD13 LEU 1 HD13 LEU 1 -1.436 -23.605 -6.399
11 HD21 LEU 1 HD21 LEU 1 0.327 -20.451 -7.628
12 HD22 LEU 1 HD22 LEU 1 -1.233 -20.722 -8.406
13 HD23 LEU 1 HD23 LEU 1 -0.096 -22.057 -8.222
14 HA PRO 2 HA PRO 2 -1.124 -16.432 -2.606
15 HB2 PRO 2 HB2 PRO 2 0.919 -15.273 -3.966
16 HB3 PRO 2 HB1 PRO 2 1.176 -16.414 -2.641
17 HG2 PRO 2 HG2 PRO 2 1.261 -16.893 -5.596
18 HG3 PRO 2 HG1 PRO 2 2.359 -17.482 -4.334
19 HD2 PRO 2 HD2 PRO 2 0.400 -19.021 -5.395
20 HD3 PRO 2 HD1 PRO 2 0.932 -19.181 -3.709
21 H SER 3 H SER 3 -2.868 -15.279 -3.201
22 HA SER 3 HA SER 3 -3.495 -14.693 -5.930
23 HB2 SER 3 HB1 SER 3 -5.264 -14.991 -4.256
24 HB3 SER 3 HB2 SER 3 -4.679 -13.582 -3.372
25 HG SER 3 HG SER 3 -5.914 -13.693 -5.910
26 H ASP 4 H ASP 4 -1.904 -13.007 -3.312
27 HA ASP 4 HA ASP 4 -0.754 -11.049 -3.216
28 HB2 ASP 4 HB1 ASP 4 0.201 -12.159 -5.369
29 HB3 ASP 4 HB2 ASP 4 -0.732 -10.928 -6.218
30 H ASP 5 H ASP 5 -2.092 -9.537 -2.409
31 HA ASP 5 HA ASP 5 -3.656 -7.960 -4.340
32 HB2 ASP 5 HB1 ASP 5 -4.505 -8.980 -1.634
33 HB3 ASP 5 HB2 ASP 5 -5.294 -7.604 -2.399
34 H LEU 6 H LEU 6 -4.475 -5.881 -2.993
35 HA LEU 6 HA LEU 6 -2.001 -4.604 -2.104
36 HB2 LEU 6 HB1 LEU 6 -4.591 -3.641 -3.219
37 HB3 LEU 6 HB2 LEU 6 -3.673 -2.551 -2.198
38 HG LEU 6 HG LEU 6 -3.247 -2.229 -4.617
39 HD11 LEU 6 HD11 LEU 6 -1.573 -1.560 -2.990
40 HD12 LEU 6 HD12 LEU 6 -0.802 -2.180 -4.451
41 HD13 LEU 6 HD13 LEU 6 -0.887 -3.184 -3.003
42 HD21 LEU 6 HD21 LEU 6 -3.452 -4.425 -5.487
43 HD22 LEU 6 HD22 LEU 6 -2.208 -5.045 -4.401
44 HD23 LEU 6 HD23 LEU 6 -1.768 -3.950 -5.712
45 H GLU 7 H GLU 7 -5.175 -5.501 -0.960
46 HA GLU 7 HA GLU 7 -5.301 -3.942 1.360
47 HB2 GLU 7 HB1 GLU 7 -6.858 -5.709 2.199
48 HB3 GLU 7 HB2 GLU 7 -7.257 -5.103 0.597
49 HG2 GLU 7 HG1 GLU 7 -6.927 -7.088 -0.377
50 HG3 GLU 7 HG2 GLU 7 -5.509 -7.453 0.606
51 H PHE 8 H PHE 8 -3.588 -6.903 0.658
52 HA PHE 8 HA PHE 8 -2.838 -7.261 3.452
53 HB2 PHE 8 HB2 PHE 8 -3.456 -9.206 1.973
54 HB3 PHE 8 HB1 PHE 8 -1.975 -8.906 1.070
55 HD1 PHE 8 HD1 PHE 8 -3.409 -10.205 4.148
56 HD2 PHE 8 HD2 PHE 8 0.206 -9.315 2.088
57 HE1 PHE 8 HE1 PHE 8 -2.159 -11.596 5.748
58 HE2 PHE 8 HE2 PHE 8 1.462 -10.703 3.683
59 HZ PHE 8 HZ PHE 8 0.279 -11.847 5.515
60 H TRP 9 H TRP 9 -1.357 -6.510 0.330
61 HA TRP 9 HA TRP 9 1.303 -6.354 1.318
62 HB2 TRP 9 HB2 TRP 9 0.256 -6.477 -1.161
63 HB3 TRP 9 HB1 TRP 9 0.567 -4.748 -1.064
64 HD1 TRP 9 HD1 TRP 9 2.222 -7.885 -1.990
65 HE1 TRP 9 HE1 TRP 9 4.768 -7.559 -2.191
66 HE3 TRP 9 HE3 TRP 9 2.642 -3.331 0.297
67 HZ2 TRP 9 HZ2 TRP 9 6.698 -5.627 -1.474
68 HZ3 TRP 9 HZ3 TRP 9 4.873 -2.314 0.499
69 HH2 TRP 9 HH2 TRP 9 6.858 -3.440 -0.368
70 H CYS 10 H CYS 10 -1.066 -3.841 0.436
71 HA CYS 10 HA CYS 10 0.573 -1.731 1.475
72 HB2 CYS 10 HB2 CYS 10 -0.984 -1.361 -0.398
73 HB3 CYS 10 HB1 CYS 10 -2.342 -1.707 0.666
74 H HIS 11 H HIS 11 0.688 -3.104 3.577
75 HA HIS 11 HA HIS 11 -0.614 -1.669 5.607
76 HB2 HIS 11 HB1 HIS 11 -1.986 -4.098 4.653
77 HB3 HIS 11 HB2 HIS 11 -1.768 -4.008 6.397
78 HD1 HIS 11 HD1 HIS 11 -2.366 -1.197 7.095
79 HD2 HIS 11 HD2 HIS 11 -4.479 -3.211 4.139
80 HE1 HIS 11 HE1 HIS 11 -4.553 0.024 6.881
81 HE2 HIS 11 HE2 HIS 11 -5.849 -1.265 5.147
82 H VAL 12 H VAL 12 0.454 -5.026 5.026
83 HA VAL 12 HA VAL 12 1.720 -5.308 7.537
84 HB VAL 12 HB VAL 12 1.019 -7.241 6.193
85 HG11 VAL 12 HG11 VAL 12 1.877 -7.806 4.147
86 HG12 VAL 12 HG21 VAL 12 3.400 -6.964 4.428
87 HG13 VAL 12 HG13 VAL 12 1.945 -6.048 4.038
88 HG21 VAL 12 HG12 VAL 12 3.942 -7.651 6.343
89 HG22 VAL 12 HG22 VAL 12 2.623 -8.594 7.041
90 HG23 VAL 12 HG23 VAL 12 3.148 -7.101 7.818
91 H MET 13 H MET 13 2.883 -4.310 4.361
92 HA MET 13 HA MET 13 5.626 -4.127 5.260
93 HB2 MET 13 HB1 MET 13 4.328 -3.248 2.674
94 HB3 MET 13 HB2 MET 13 6.056 -3.239 2.990
95 HG2 MET 13 HG1 MET 13 4.465 -5.759 3.238
96 HG3 MET 13 HG2 MET 13 5.035 -5.195 1.669
97 HE1 MET 13 HE1 MET 13 8.845 -5.451 1.869
98 HE2 MET 13 HE2 MET 13 7.718 -4.097 1.791
99 HE3 MET 13 HE3 MET 13 7.452 -5.525 0.789
100 H TYR 14 H TYR 14 3.027 -1.887 4.366
101 HA TYR 14 HA TYR 14 4.628 0.323 5.461
102 HB2 TYR 14 HB2 TYR 14 2.354 0.264 3.483
103 HB3 TYR 14 HB1 TYR 14 2.872 1.754 4.264
104 HD1 TYR 14 HD1 TYR 14 3.546 -0.632 1.648
105 HD2 TYR 14 HD2 TYR 14 5.220 2.572 3.892
106 HE1 TYR 14 HE1 TYR 14 5.287 -0.350 -0.066
107 HE2 TYR 14 HE2 TYR 14 6.964 2.864 2.184
108 HH TYR 14 HH TYR 14 8.073 1.400 0.412
109 H1 LEU 51 H1 LEU 51 10.499 8.635 -16.405
110 H2 LEU 51 H2 LEU 51 10.948 7.178 -15.617
111 H3 LEU 51 H3 LEU 51 9.774 8.212 -14.911
112 HA LEU 51 HA LEU 51 8.430 7.854 -16.958
113 HB2 LEU 51 HB1 LEU 51 10.404 5.578 -17.199
114 HB3 LEU 51 HB2 LEU 51 8.959 5.780 -18.172
115 HG LEU 51 HG LEU 51 11.339 7.638 -18.163
116 HD11 LEU 51 HD11 LEU 51 10.538 5.330 -19.847
117 HD12 LEU 51 HD12 LEU 51 12.143 5.880 -19.364
118 HD13 LEU 51 HD13 LEU 51 11.270 6.723 -20.643
119 HD21 LEU 51 HD21 LEU 51 8.803 7.656 -19.794
120 HD22 LEU 51 HD22 LEU 51 10.212 8.666 -20.106
121 HD23 LEU 51 HD23 LEU 51 9.304 8.859 -18.607
122 HA PRO 52 HA PRO 52 5.867 5.473 -14.292
123 HB2 PRO 52 HB2 PRO 52 5.276 3.690 -16.607
124 HB3 PRO 52 HB1 PRO 52 4.163 4.543 -15.531
125 HG2 PRO 52 HG2 PRO 52 4.605 5.432 -18.000
126 HG3 PRO 52 HG1 PRO 52 4.422 6.562 -16.645
127 HD2 PRO 52 HD2 PRO 52 6.894 5.706 -18.083
128 HD3 PRO 52 HD1 PRO 52 6.480 7.286 -17.390
129 H SER 53 H SER 53 5.963 3.672 -13.002
130 HA SER 53 HA SER 53 7.289 1.265 -13.808
131 HB2 SER 53 HB1 SER 53 8.645 2.658 -11.524
132 HB3 SER 53 HB2 SER 53 9.257 1.375 -12.567
133 HG SER 53 HG SER 53 9.226 4.119 -12.950
134 H ASP 54 H ASP 54 6.463 -0.395 -12.699
135 HA ASP 54 HA ASP 54 4.404 -0.048 -10.832
136 HB2 ASP 54 HB1 ASP 54 5.167 -2.116 -12.341
137 HB3 ASP 54 HB2 ASP 54 5.923 -2.610 -10.828
138 H ASP 55 H ASP 55 4.609 0.742 -8.849
139 HA ASP 55 HA ASP 55 6.707 -0.339 -7.115
140 HB2 ASP 55 HB1 ASP 55 6.225 2.552 -7.749
141 HB3 ASP 55 HB2 ASP 55 6.839 2.095 -6.164
142 H LEU 56 H LEU 56 6.291 0.433 -4.773
143 HA LEU 56 HA LEU 56 3.411 0.127 -4.259
144 HB2 LEU 56 HB1 LEU 56 5.867 -0.780 -2.834
145 HB3 LEU 56 HB2 LEU 56 4.435 -0.439 -1.880
146 HG LEU 56 HG LEU 56 4.620 -2.820 -2.438
147 HD11 LEU 56 HD11 LEU 56 2.313 -2.010 -4.085
148 HD12 LEU 56 HD12 LEU 56 2.391 -1.321 -2.464
149 HD13 LEU 56 HD13 LEU 56 2.392 -3.072 -2.680
150 HD21 LEU 56 HD21 LEU 56 5.741 -2.285 -4.691
151 HD22 LEU 56 HD22 LEU 56 4.096 -2.128 -5.305
152 HD23 LEU 56 HD23 LEU 56 4.636 -3.656 -4.610
153 H GLU 57 H GLU 57 6.226 2.082 -3.583
154 HA GLU 57 HA GLU 57 5.236 3.612 -1.458
155 HB2 GLU 57 HB1 GLU 57 6.867 5.365 -2.329
156 HB3 GLU 57 HB2 GLU 57 7.542 3.795 -1.919
157 HG2 GLU 57 HG1 GLU 57 8.166 3.371 -4.026
158 HG3 GLU 57 HG2 GLU 57 6.696 4.063 -4.709
159 H PHE 58 H PHE 58 4.696 3.818 -4.906
160 HA PHE 58 HA PHE 58 3.268 6.345 -4.642
161 HB2 PHE 58 HB2 PHE 58 4.783 5.924 -6.581
162 HB3 PHE 58 HB1 PHE 58 3.691 4.650 -7.110
163 HD1 PHE 58 HD1 PHE 58 3.763 8.279 -6.302
164 HD2 PHE 58 HD2 PHE 58 1.945 5.150 -8.542
165 HE1 PHE 58 HE1 PHE 58 2.433 9.941 -7.534
166 HE2 PHE 58 HE2 PHE 58 0.612 6.808 -9.779
167 HZ PHE 58 HZ PHE 58 0.854 9.207 -9.277
168 H TRP 59 H TRP 59 2.653 2.937 -5.110
169 HA TRP 59 HA TRP 59 -0.124 3.275 -5.768
170 HB2 TRP 59 HB2 TRP 59 1.629 1.246 -6.148
171 HB3 TRP 59 HB1 TRP 59 0.791 0.667 -4.712
172 HD1 TRP 59 HD1 TRP 59 0.545 0.541 -8.348
173 HE1 TRP 59 HE1 TRP 59 -1.805 -0.192 -9.099
174 HE3 TRP 59 HE3 TRP 59 -1.949 1.149 -3.927
175 HZ2 TRP 59 HZ2 TRP 59 -4.376 -0.476 -7.968
176 HZ3 TRP 59 HZ3 TRP 59 -4.352 0.625 -3.846
177 HH2 TRP 59 HH2 TRP 59 -5.539 -0.170 -5.825
178 H CYS 60 H CYS 60 1.555 1.875 -2.946
179 HA CYS 60 HA CYS 60 -0.825 1.875 -1.357
180 HB2 CYS 60 HB2 CYS 60 0.940 0.211 -1.002
181 HB3 CYS 60 HB1 CYS 60 2.066 1.487 -0.554
182 H HIS 61 H HIS 61 -1.149 4.259 -1.902
183 HA HIS 61 HA HIS 61 -0.777 5.789 0.419
184 HB2 HIS 61 HB1 HIS 61 1.576 5.768 -0.766
185 HB3 HIS 61 HB2 HIS 61 0.837 6.985 -1.801
186 HD1 HIS 61 HD1 HIS 61 0.173 6.743 1.900
187 HD2 HIS 61 HD2 HIS 61 2.246 9.134 -0.792
188 HE1 HIS 61 HE1 HIS 61 0.920 8.749 3.220
189 HE2 HIS 61 HE2 HIS 61 2.098 10.222 1.550
190 H VAL 62 H VAL 62 -0.815 6.368 -3.104
191 HA VAL 62 HA VAL 62 -2.630 8.544 -2.927
192 HB VAL 62 HB VAL 62 -1.092 8.282 -4.824
193 HG11 VAL 62 HG11 VAL 62 -1.516 5.724 -4.873
194 HG12 VAL 62 HG21 VAL 62 -1.193 6.576 -6.383
195 HG13 VAL 62 HG13 VAL 62 -2.848 6.139 -5.953
196 HG21 VAL 62 HG12 VAL 62 -3.246 9.565 -4.999
197 HG22 VAL 62 HG22 VAL 62 -3.937 8.154 -5.802
198 HG23 VAL 62 HG23 VAL 62 -2.578 9.008 -6.533
199 H MET 63 H MET 63 -3.016 5.109 -3.688
200 HA MET 63 HA MET 63 -5.851 5.367 -4.138
201 HB2 MET 63 HB1 MET 63 -4.087 2.928 -3.864
202 HB3 MET 63 HB2 MET 63 -5.789 2.884 -4.300
203 HG2 MET 63 HG1 MET 63 -3.569 4.169 -5.872
204 HG3 MET 63 HG2 MET 63 -4.415 2.674 -6.268
205 HE1 MET 63 HE1 MET 63 -5.087 3.673 -8.825
206 HE2 MET 63 HE2 MET 63 -3.952 4.901 -8.262
207 HE3 MET 63 HE3 MET 63 -5.497 5.383 -8.962
208 H TYR 64 H TYR 64 -3.769 4.006 -1.606
209 HA TYR 64 HA TYR 64 -6.129 3.760 0.130
210 HB2 TYR 64 HB2 TYR 64 -3.427 2.422 0.189
211 HB3 TYR 64 HB1 TYR 64 -4.532 2.366 1.559
212 HD1 TYR 64 HD1 TYR 64 -3.682 0.952 -1.631
213 HD2 TYR 64 HD2 TYR 64 -6.818 1.327 1.219
214 HE1 TYR 64 HE1 TYR 64 -4.824 -0.977 -2.642
215 HE2 TYR 64 HE2 TYR 64 -7.968 -0.601 0.219
216 HH TYR 64 HH TYR 64 -7.026 -1.944 -2.791
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