Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
590728 | 2mxm RC | 25419 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1HT ASP 1 -12.046 -3.822 -2.405
2 H2 ASP 1 2HT ASP 1 -10.815 -2.737 -2.830
3 H3 ASP 1 3HT ASP 1 -11.114 -3.077 -1.220
4 HA ASP 1 HA ASP 1 -10.362 -5.302 -1.447
5 HB2 ASP 1 2HB ASP 1 -11.089 -5.314 -3.963
6 HB3 ASP 1 1HB ASP 1 -9.524 -4.571 -4.260
7 H CYS 2 H CYS 2 -7.875 -5.713 -1.799
8 HA CYS 2 HA CYS 2 -6.639 -3.376 -0.669
9 HB2 CYS 2 2HB CYS 2 -4.728 -4.888 -0.268
10 HB3 CYS 2 1HB CYS 2 -6.231 -5.464 0.439
11 H LEU 3 H LEU 3 -4.777 -2.439 -1.408
12 HA LEU 3 HA LEU 3 -4.526 -2.230 -4.240
13 HB2 LEU 3 2HB LEU 3 -2.677 -1.154 -2.103
14 HB3 LEU 3 1HB LEU 3 -2.785 -0.657 -3.776
15 HG LEU 3 HG LEU 3 -4.966 -0.298 -1.766
16 HD11 LEU 3 1HD1 LEU 3 -4.318 2.079 -1.820
17 HD12 LEU 3 2HD1 LEU 3 -2.951 1.662 -2.856
18 HD13 LEU 3 3HD1 LEU 3 -3.025 1.050 -1.201
19 HD21 LEU 3 3HD2 LEU 3 -4.597 0.768 -4.556
20 HD22 LEU 3 1HD2 LEU 3 -5.914 1.200 -3.464
21 HD23 LEU 3 2HD2 LEU 3 -5.755 -0.461 -4.055
22 H LYS 4 H LYS 4 -3.075 -3.154 -5.449
23 HA LYS 4 HA LYS 4 -1.688 -5.393 -4.223
24 HB2 LYS 4 2HB LYS 4 -2.552 -4.914 -7.067
25 HB3 LYS 4 1HB LYS 4 -1.725 -6.372 -6.510
26 HG2 LYS 4 2HG LYS 4 -3.500 -6.884 -4.985
27 HG3 LYS 4 1HG LYS 4 -4.288 -5.356 -5.334
28 HD2 LYS 4 2HD LYS 4 -4.735 -6.112 -7.609
29 HD3 LYS 4 1HD LYS 4 -3.924 -7.646 -7.255
30 HE2 LYS 4 2HE LYS 4 -6.369 -7.830 -7.025
31 HE3 LYS 4 1HE LYS 4 -5.530 -8.133 -5.506
32 HZ1 LYS 4 3HZ LYS 4 -6.036 -5.758 -4.891
33 HZ2 LYS 4 1HZ LYS 4 -7.383 -6.732 -5.046
34 HZ3 LYS 4 2HZ LYS 4 -7.009 -5.662 -6.267
35 H PHE 5 H PHE 5 0.240 -6.079 -5.847
36 HA PHE 5 HA PHE 5 2.267 -4.302 -5.082
37 HB2 PHE 5 2HB PHE 5 2.637 -6.716 -5.364
38 HB3 PHE 5 1HB PHE 5 2.392 -6.548 -7.096
39 HD1 PHE 5 1HD PHE 5 4.573 -5.547 -4.307
40 HD2 PHE 5 2HD PHE 5 4.167 -5.969 -8.506
41 HE1 PHE 5 1HE PHE 5 6.979 -5.109 -4.580
42 HE2 PHE 5 2HE PHE 5 6.565 -5.534 -8.788
43 HZ PHE 5 HZ PHE 5 7.970 -5.108 -6.839
44 H GLY 6 H GLY 6 2.896 -2.491 -5.907
45 HA2 GLY 6 2HA GLY 6 3.696 -1.117 -7.628
46 HA3 GLY 6 1HA GLY 6 2.811 -2.093 -8.794
47 H TRP 7 H TRP 7 0.629 -1.650 -6.384
48 HA TRP 7 HA TRP 7 -0.710 0.271 -8.005
49 HB2 TRP 7 2HB TRP 7 -1.533 -1.196 -5.512
50 HB3 TRP 7 1HB TRP 7 -2.531 0.078 -6.201
51 HD1 TRP 7 HD TRP 7 -0.697 -2.520 -8.347
52 HE1 TRP 7 1HE TRP 7 -2.444 -3.975 -9.560
53 HE3 TRP 7 3HE TRP 7 -4.902 -0.706 -6.126
54 HZ2 TRP 7 2HZ TRP 7 -5.259 -4.293 -9.565
55 HZ3 TRP 7 3HZ TRP 7 -7.075 -1.625 -6.768
56 HH2 TRP 7 HH TRP 7 -7.257 -3.384 -8.460
57 H LYS 8 H LYS 8 -1.323 2.297 -7.408
58 HA LYS 8 HA LYS 8 0.626 3.607 -5.764
59 HB2 LYS 8 2HB LYS 8 -1.724 4.811 -7.244
60 HB3 LYS 8 1HB LYS 8 -0.336 5.675 -6.598
61 HG2 LYS 8 2HG LYS 8 -0.280 3.657 -8.839
62 HG3 LYS 8 1HG LYS 8 -0.115 5.407 -8.998
63 HD2 LYS 8 2HD LYS 8 1.964 5.344 -7.720
64 HD3 LYS 8 1HD LYS 8 1.754 3.612 -7.460
65 HE2 LYS 8 2HE LYS 8 2.099 4.919 -10.154
66 HE3 LYS 8 1HE LYS 8 3.391 4.142 -9.246
67 HZ1 LYS 8 3HZ LYS 8 2.046 2.025 -9.394
68 HZ2 LYS 8 1HZ LYS 8 2.545 2.641 -10.882
69 HZ3 LYS 8 2HZ LYS 8 0.972 2.854 -10.386
70 H CYS 9 H CYS 9 0.390 4.478 -3.833
71 HA CYS 9 HA CYS 9 -2.201 4.272 -2.470
72 HB2 CYS 9 2HB CYS 9 -0.997 3.293 -0.532
73 HB3 CYS 9 1HB CYS 9 -0.968 2.247 -1.949
74 H ASN 10 H ASN 10 -1.746 5.215 -0.127
75 HA ASN 10 HA ASN 10 -0.070 7.604 -0.327
76 HB2 ASN 10 2HB ASN 10 -2.744 7.239 1.055
77 HB3 ASN 10 1HB ASN 10 -1.795 8.671 1.269
78 HD21 ASN 10 1HD2 ASN 10 -3.859 7.025 -0.518
79 HD22 ASN 10 2HD2 ASN 10 -4.187 8.125 -1.838
80 HA PRO 11 HA PRO 11 2.127 5.273 2.703
81 HB2 PRO 11 2HB PRO 11 3.420 7.435 3.917
82 HB3 PRO 11 1HB PRO 11 3.989 6.503 2.529
83 HG2 PRO 11 2HG PRO 11 2.561 9.113 2.596
84 HG3 PRO 11 1HG PRO 11 3.843 8.567 1.503
85 HD2 PRO 11 2HD PRO 11 1.292 8.692 0.730
86 HD3 PRO 11 1HD PRO 11 2.358 7.388 0.165
87 H ARG 12 H ARG 12 0.093 7.922 3.775
88 HA ARG 12 HA ARG 12 0.322 7.181 6.543
89 HB2 ARG 12 2HB ARG 12 -1.503 9.079 5.132
90 HB3 ARG 12 1HB ARG 12 -1.667 8.714 6.841
91 HG2 ARG 12 2HG ARG 12 0.676 9.478 7.154
92 HG3 ARG 12 1HG ARG 12 0.698 9.961 5.456
93 HD2 ARG 12 2HD ARG 12 -1.184 11.467 5.869
94 HD3 ARG 12 1HD ARG 12 -1.202 10.965 7.559
95 HE ARG 12 HE ARG 12 1.339 11.932 6.796
96 HH11 ARG 12 1HH1 ARG 12 -1.902 13.042 7.655
97 HH12 ARG 12 2HH1 ARG 12 -1.402 14.548 8.270
98 HH21 ARG 12 1HH2 ARG 12 2.054 13.972 7.617
99 HH22 ARG 12 2HH2 ARG 12 0.944 15.096 8.268
100 H ASN 13 H ASN 13 -1.777 6.307 3.957
101 HA ASN 13 HA ASN 13 -3.307 4.688 5.866
102 HB2 ASN 13 2HB ASN 13 -4.743 6.506 5.011
103 HB3 ASN 13 1HB ASN 13 -4.405 5.997 3.363
104 HD21 ASN 13 1HD2 ASN 13 -6.587 5.635 2.952
105 HD22 ASN 13 2HD2 ASN 13 -7.435 4.273 3.602
106 H ASP 14 H ASP 14 -2.133 2.902 5.580
107 HA ASP 14 HA ASP 14 -1.398 1.898 3.009
108 HB2 ASP 14 2HB ASP 14 -0.174 1.400 5.167
109 HB3 ASP 14 1HB ASP 14 -1.534 0.372 5.604
110 H LYS 15 H LYS 15 -2.733 0.987 1.685
111 HA LYS 15 HA LYS 15 -4.933 -0.634 2.743
112 HB2 LYS 15 2HB LYS 15 -4.961 1.191 0.333
113 HB3 LYS 15 1HB LYS 15 -6.212 0.008 0.653
114 HG2 LYS 15 2HG LYS 15 -5.493 2.350 2.420
115 HG3 LYS 15 1HG LYS 15 -6.883 2.258 1.339
116 HD2 LYS 15 2HD LYS 15 -6.383 0.430 3.707
117 HD3 LYS 15 1HD LYS 15 -7.471 1.806 3.704
118 HE2 LYS 15 2HE LYS 15 -8.836 0.753 1.968
119 HE3 LYS 15 1HE LYS 15 -7.726 -0.612 1.905
120 HZ1 LYS 15 3HZ LYS 15 -8.304 -1.154 4.174
121 HZ2 LYS 15 1HZ LYS 15 -9.670 -1.119 3.204
122 HZ3 LYS 15 2HZ LYS 15 -9.370 0.151 4.271
123 H CYS 16 H CYS 16 -2.136 -1.174 1.847
124 HA CYS 16 HA CYS 16 -2.435 -2.514 -0.666
125 HB2 CYS 16 2HB CYS 16 -0.122 -2.612 1.280
126 HB3 CYS 16 1HB CYS 16 -0.083 -3.090 -0.407
127 H CYS 17 H CYS 17 -2.022 -4.791 -0.910
128 HA CYS 17 HA CYS 17 -3.602 -6.421 0.700
129 HB2 CYS 17 2HB CYS 17 -1.472 -7.163 -1.294
130 HB3 CYS 17 1HB CYS 17 -2.662 -8.284 -0.642
131 H SER 18 H SER 18 -2.884 -8.506 1.735
132 HA SER 18 HA SER 18 -1.266 -7.862 3.924
133 HB2 SER 18 2HB SER 18 -2.314 -10.543 3.012
134 HB3 SER 18 1HB SER 18 -1.793 -10.122 4.650
135 HG SER 18 HG SER 18 -3.445 -8.560 4.705
136 H GLY 19 H GLY 19 0.863 -7.854 4.056
137 HA2 GLY 19 2HA GLY 19 2.981 -8.930 3.930
138 HA3 GLY 19 1HA GLY 19 2.417 -9.812 2.512
139 H LEU 20 H LEU 20 1.242 -6.866 2.103
140 HA LEU 20 HA LEU 20 3.510 -5.906 0.543
141 HB2 LEU 20 2HB LEU 20 1.382 -6.865 -0.522
142 HB3 LEU 20 1HB LEU 20 0.576 -5.467 0.143
143 HG LEU 20 HG LEU 20 2.108 -4.040 -1.178
144 HD11 LEU 20 1HD1 LEU 20 3.291 -5.107 -2.991
145 HD12 LEU 20 2HD1 LEU 20 2.831 -6.703 -2.345
146 HD13 LEU 20 3HD1 LEU 20 3.892 -5.641 -1.417
147 HD21 LEU 20 3HD2 LEU 20 0.469 -6.063 -2.651
148 HD22 LEU 20 1HD2 LEU 20 1.017 -4.517 -3.281
149 HD23 LEU 20 2HD2 LEU 20 -0.128 -4.562 -1.933
150 H LYS 21 H LYS 21 3.871 -3.637 0.824
151 HA LYS 21 HA LYS 21 2.126 -2.295 2.738
152 HB2 LYS 21 2HB LYS 21 3.941 -3.236 4.057
153 HB3 LYS 21 1HB LYS 21 5.126 -2.501 2.981
154 HG2 LYS 21 2HG LYS 21 4.346 -0.287 3.665
155 HG3 LYS 21 1HG LYS 21 3.194 -1.037 4.762
156 HD2 LYS 21 2HD LYS 21 4.994 -2.005 6.040
157 HD3 LYS 21 1HD LYS 21 6.187 -1.384 4.900
158 HE2 LYS 21 2HE LYS 21 4.346 0.231 6.655
159 HE3 LYS 21 1HE LYS 21 6.085 0.035 6.851
160 HZ1 LYS 21 3HZ LYS 21 4.703 1.445 4.614
161 HZ2 LYS 21 1HZ LYS 21 6.371 1.152 4.671
162 HZ3 LYS 21 2HZ LYS 21 5.640 2.115 5.837
163 H CYS 22 H CYS 22 2.079 -0.136 2.539
164 HA CYS 22 HA CYS 22 2.896 0.983 0.015
165 HB2 CYS 22 2HB CYS 22 0.749 1.586 1.170
166 HB3 CYS 22 1HB CYS 22 1.691 2.348 2.443
167 H GLY 23 H GLY 23 4.843 1.857 -0.332
168 HA2 GLY 23 2HA GLY 23 6.694 2.057 1.854
169 HA3 GLY 23 1HA GLY 23 7.082 2.412 0.187
170 H SER 24 H SER 24 7.537 3.749 2.753
171 HA SER 24 HA SER 24 5.964 6.111 2.858
172 HB2 SER 24 2HB SER 24 7.839 6.843 4.432
173 HB3 SER 24 1HB SER 24 6.911 5.410 4.883
174 HG SER 24 HG SER 24 9.453 5.512 4.760
175 H ASN 25 H ASN 25 9.125 5.336 1.541
176 HA ASN 25 HA ASN 25 9.373 8.051 0.491
177 HB2 ASN 25 2HB ASN 25 11.674 7.477 -0.122
178 HB3 ASN 25 1HB ASN 25 11.392 7.065 1.559
179 HD21 ASN 25 1HD2 ASN 25 13.440 6.104 -0.189
180 HD22 ASN 25 2HD2 ASN 25 13.298 4.385 -0.265
181 H HIS 26 H HIS 26 7.579 5.778 -0.367
182 HA HIS 26 HA HIS 26 8.105 6.007 -3.232
183 HB2 HIS 26 2HB HIS 26 6.967 3.617 -1.746
184 HB3 HIS 26 1HB HIS 26 6.950 3.785 -3.492
185 HD1 HIS 26 1HD HIS 26 9.515 3.972 -4.576
186 HD2 HIS 26 2HD HIS 26 9.100 2.370 -0.775
187 HE1 HIS 26 1HE HIS 26 11.638 2.728 -4.120
188 H ASN 27 H ASN 27 5.793 5.189 -4.232
189 HA ASN 27 HA ASN 27 3.654 6.534 -2.741
190 HB2 ASN 27 2HB ASN 27 4.774 8.021 -4.515
191 HB3 ASN 27 1HB ASN 27 4.126 6.908 -5.711
192 HD21 ASN 27 1HD2 ASN 27 3.371 9.280 -3.302
193 HD22 ASN 27 2HD2 ASN 27 1.763 9.600 -3.808
194 H TRP 28 H TRP 28 4.601 3.823 -3.400
195 HA TRP 28 HA TRP 28 2.114 2.761 -4.404
196 HB2 TRP 28 2HB TRP 28 3.294 1.130 -5.930
197 HB3 TRP 28 1HB TRP 28 3.279 2.796 -6.475
198 HD1 TRP 28 HD TRP 28 5.884 1.744 -3.903
199 HE1 TRP 28 1HE TRP 28 8.197 1.735 -5.002
200 HE3 TRP 28 3HE TRP 28 4.478 2.416 -8.762
201 HZ2 TRP 28 2HZ TRP 28 9.277 1.933 -7.526
202 HZ3 TRP 28 3HZ TRP 28 6.237 2.478 -10.486
203 HH2 TRP 28 HH TRP 28 8.592 2.242 -9.891
204 H CYS 29 H CYS 29 1.890 0.526 -4.157
205 HA CYS 29 HA CYS 29 2.728 -0.477 -1.628
206 HB2 CYS 29 2HB CYS 29 1.153 -1.556 -3.922
207 HB3 CYS 29 1HB CYS 29 1.326 -2.490 -2.474
208 H LYS 30 H LYS 30 4.626 -1.466 -1.289
209 HA LYS 30 HA LYS 30 5.801 -3.148 -3.403
210 HB2 LYS 30 2HB LYS 30 7.232 -1.450 -1.332
211 HB3 LYS 30 1HB LYS 30 8.038 -2.625 -2.356
212 HG2 LYS 30 2HG LYS 30 6.523 -0.225 -3.384
213 HG3 LYS 30 1HG LYS 30 8.266 -0.265 -3.139
214 HD2 LYS 30 2HD LYS 30 6.804 -2.184 -4.955
215 HD3 LYS 30 1HD LYS 30 7.475 -0.648 -5.495
216 HE2 LYS 30 2HE LYS 30 9.683 -1.339 -4.812
217 HE3 LYS 30 1HE LYS 30 9.057 -2.863 -4.191
218 HZ1 LYS 30 3HZ LYS 30 9.047 -1.963 -7.024
219 HZ2 LYS 30 1HZ LYS 30 8.379 -3.403 -6.484
220 HZ3 LYS 30 2HZ LYS 30 10.032 -3.146 -6.375
221 H LEU 31 H LEU 31 7.328 -4.821 -2.340
222 HA LEU 31 HA LEU 31 5.664 -6.359 -0.607
223 HB2 LEU 31 2HB LEU 31 8.503 -6.817 -1.511
224 HB3 LEU 31 1HB LEU 31 7.531 -7.974 -0.631
225 HG LEU 31 HG LEU 31 6.808 -6.922 -3.364
226 HD11 LEU 31 1HD1 LEU 31 7.538 -9.091 -4.188
227 HD12 LEU 31 2HD1 LEU 31 8.072 -9.529 -2.567
228 HD13 LEU 31 3HD1 LEU 31 8.877 -8.220 -3.437
229 HD21 LEU 31 3HD2 LEU 31 5.275 -8.826 -3.363
230 HD22 LEU 31 1HD2 LEU 31 4.897 -7.686 -2.072
231 HD23 LEU 31 2HD2 LEU 31 5.736 -9.192 -1.702
232 H HIS 32 H HIS 32 5.653 -6.543 1.498
233 HA HIS 32 HA HIS 32 7.055 -4.639 3.041
234 HB2 HIS 32 2HB HIS 32 4.773 -5.332 3.607
235 HB3 HIS 32 1HB HIS 32 5.325 -6.975 3.887
236 HD1 HIS 32 1HD HIS 32 5.283 -7.386 6.369
237 HD2 HIS 32 2HD HIS 32 6.584 -3.560 5.415
238 HE1 HIS 32 1HE HIS 32 5.853 -6.273 8.549
239 H LEU 33 H LEU 33 8.973 -4.801 3.904
240 HA LEU 33 HA LEU 33 9.977 -7.337 4.821
241 HB2 LEU 33 2HB LEU 33 10.783 -7.147 2.483
242 HB3 LEU 33 1HB LEU 33 11.488 -5.591 2.857
243 HG LEU 33 HG LEU 33 13.033 -6.707 4.446
244 HD11 LEU 33 1HD1 LEU 33 11.701 -8.655 5.007
245 HD12 LEU 33 2HD1 LEU 33 13.269 -9.144 4.368
246 HD13 LEU 33 3HD1 LEU 33 11.833 -9.245 3.349
247 HD21 LEU 33 3HD2 LEU 33 13.741 -6.235 2.168
248 HD22 LEU 33 1HD2 LEU 33 13.078 -7.778 1.626
249 HD23 LEU 33 2HD2 LEU 33 14.447 -7.747 2.736
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 -11.418 -4.131 -2.600
2 H2 ASP 1 2HT ASP 1 -11.541 -4.623 -0.999
3 H3 ASP 1 3HT ASP 1 -12.185 -5.597 -2.219
4 HA ASP 1 HA ASP 1 -10.109 -6.419 -1.340
5 HB2 ASP 1 2HB ASP 1 -9.913 -5.351 -4.163
6 HB3 ASP 1 1HB ASP 1 -8.791 -6.512 -3.467
7 H CYS 2 H CYS 2 -7.706 -6.103 -1.609
8 HA CYS 2 HA CYS 2 -6.969 -3.534 -0.507
9 HB2 CYS 2 2HB CYS 2 -4.787 -4.803 -0.232
10 HB3 CYS 2 1HB CYS 2 -6.181 -5.415 0.660
11 H LEU 3 H LEU 3 -4.826 -2.614 -1.261
12 HA LEU 3 HA LEU 3 -4.796 -2.292 -4.110
13 HB2 LEU 3 2HB LEU 3 -2.787 -1.297 -2.075
14 HB3 LEU 3 1HB LEU 3 -2.965 -0.753 -3.721
15 HG LEU 3 HG LEU 3 -4.992 -0.383 -1.555
16 HD11 LEU 3 1HD1 LEU 3 -2.980 0.948 -1.154
17 HD12 LEU 3 2HD1 LEU 3 -4.303 2.000 -1.658
18 HD13 LEU 3 3HD1 LEU 3 -3.038 1.563 -2.806
19 HD21 LEU 3 3HD2 LEU 3 -5.900 -0.526 -3.846
20 HD22 LEU 3 1HD2 LEU 3 -4.860 0.812 -4.310
21 HD23 LEU 3 2HD2 LEU 3 -6.144 1.069 -3.118
22 H LYS 4 H LYS 4 -3.346 -3.168 -5.473
23 HA LYS 4 HA LYS 4 -1.944 -5.526 -4.470
24 HB2 LYS 4 2HB LYS 4 -2.470 -4.614 -7.295
25 HB3 LYS 4 1HB LYS 4 -1.720 -6.138 -6.849
26 HG2 LYS 4 2HG LYS 4 -3.754 -6.852 -5.750
27 HG3 LYS 4 1HG LYS 4 -4.507 -5.293 -6.097
28 HD2 LYS 4 2HD LYS 4 -4.299 -5.716 -8.482
29 HD3 LYS 4 1HD LYS 4 -3.521 -7.261 -8.153
30 HE2 LYS 4 2HE LYS 4 -6.319 -6.479 -7.351
31 HE3 LYS 4 1HE LYS 4 -5.910 -7.518 -8.706
32 HZ1 LYS 4 3HZ LYS 4 -6.563 -8.847 -6.868
33 HZ2 LYS 4 1HZ LYS 4 -5.467 -8.117 -5.819
34 HZ3 LYS 4 2HZ LYS 4 -4.911 -9.080 -7.081
35 H PHE 5 H PHE 5 0.140 -6.022 -5.883
36 HA PHE 5 HA PHE 5 2.124 -4.260 -4.990
37 HB2 PHE 5 2HB PHE 5 2.542 -6.640 -5.406
38 HB3 PHE 5 1HB PHE 5 2.259 -6.392 -7.122
39 HD1 PHE 5 1HD PHE 5 4.495 -5.313 -4.343
40 HD2 PHE 5 2HD PHE 5 4.052 -5.938 -8.524
41 HE1 PHE 5 1HE PHE 5 6.884 -4.897 -4.654
42 HE2 PHE 5 2HE PHE 5 6.453 -5.518 -8.840
43 HZ PHE 5 HZ PHE 5 7.868 -5.002 -6.902
44 H GLY 6 H GLY 6 2.924 -2.486 -5.773
45 HA2 GLY 6 2HA GLY 6 3.699 -1.044 -7.416
46 HA3 GLY 6 1HA GLY 6 2.809 -1.965 -8.623
47 H TRP 7 H TRP 7 0.578 -1.567 -6.277
48 HA TRP 7 HA TRP 7 -0.641 0.515 -7.805
49 HB2 TRP 7 2HB TRP 7 -1.548 -1.037 -5.397
50 HB3 TRP 7 1HB TRP 7 -2.461 0.335 -6.018
51 HD1 TRP 7 HD TRP 7 -0.814 -2.195 -8.398
52 HE1 TRP 7 1HE TRP 7 -2.704 -3.460 -9.656
53 HE3 TRP 7 3HE TRP 7 -4.831 -0.404 -5.856
54 HZ2 TRP 7 2HZ TRP 7 -5.496 -3.660 -9.547
55 HZ3 TRP 7 3HZ TRP 7 -7.070 -1.179 -6.477
56 HH2 TRP 7 HH TRP 7 -7.395 -2.761 -8.270
57 H LYS 8 H LYS 8 -1.044 2.561 -7.206
58 HA LYS 8 HA LYS 8 0.869 3.762 -5.505
59 HB2 LYS 8 2HB LYS 8 -1.620 4.954 -6.735
60 HB3 LYS 8 1HB LYS 8 -0.321 5.868 -5.988
61 HG2 LYS 8 2HG LYS 8 -0.027 4.128 -8.434
62 HG3 LYS 8 1HG LYS 8 -0.189 5.883 -8.451
63 HD2 LYS 8 2HD LYS 8 1.901 6.091 -7.191
64 HD3 LYS 8 1HD LYS 8 2.041 4.337 -7.111
65 HE2 LYS 8 2HE LYS 8 3.488 5.226 -8.854
66 HE3 LYS 8 1HE LYS 8 2.212 4.237 -9.549
67 HZ1 LYS 8 3HZ LYS 8 2.624 6.284 -10.773
68 HZ2 LYS 8 1HZ LYS 8 2.176 7.209 -9.439
69 HZ3 LYS 8 2HZ LYS 8 1.042 6.226 -10.207
70 H CYS 9 H CYS 9 0.829 3.956 -3.444
71 HA CYS 9 HA CYS 9 -1.671 3.501 -2.005
72 HB2 CYS 9 2HB CYS 9 -0.223 3.014 -0.061
73 HB3 CYS 9 1HB CYS 9 0.147 1.967 -1.427
74 H ASN 10 H ASN 10 -1.619 4.725 0.205
75 HA ASN 10 HA ASN 10 -0.996 7.516 -0.386
76 HB2 ASN 10 2HB ASN 10 -3.087 6.304 1.456
77 HB3 ASN 10 1HB ASN 10 -2.818 8.024 1.227
78 HD21 ASN 10 1HD2 ASN 10 -5.162 6.294 0.766
79 HD22 ASN 10 2HD2 ASN 10 -5.605 6.584 -0.886
80 HA PRO 11 HA PRO 11 2.120 6.899 2.752
81 HB2 PRO 11 2HB PRO 11 2.228 9.573 3.569
82 HB3 PRO 11 1HB PRO 11 3.203 8.839 2.295
83 HG2 PRO 11 2HG PRO 11 0.726 10.470 2.084
84 HG3 PRO 11 1HG PRO 11 2.124 10.400 1.004
85 HD2 PRO 11 2HD PRO 11 -0.203 9.215 0.385
86 HD3 PRO 11 1HD PRO 11 1.344 8.493 -0.085
87 H ARG 12 H ARG 12 -0.780 8.776 3.436
88 HA ARG 12 HA ARG 12 -0.459 8.465 6.261
89 HB2 ARG 12 2HB ARG 12 -2.768 9.449 4.621
90 HB3 ARG 12 1HB ARG 12 -2.795 9.337 6.368
91 HG2 ARG 12 2HG ARG 12 -0.944 11.048 4.701
92 HG3 ARG 12 1HG ARG 12 -2.295 11.613 5.685
93 HD2 ARG 12 2HD ARG 12 0.267 10.337 6.655
94 HD3 ARG 12 1HD ARG 12 -0.250 12.002 6.886
95 HE ARG 12 HE ARG 12 -2.246 10.651 8.029
96 HH11 ARG 12 1HH1 ARG 12 1.260 10.439 8.468
97 HH12 ARG 12 2HH1 ARG 12 1.181 9.901 10.080
98 HH21 ARG 12 1HH2 ARG 12 -2.375 9.909 10.218
99 HH22 ARG 12 2HH2 ARG 12 -0.962 9.584 11.110
100 H ASN 13 H ASN 13 -2.137 6.685 3.772
101 HA ASN 13 HA ASN 13 -2.888 4.788 5.823
102 HB2 ASN 13 2HB ASN 13 -5.175 4.502 4.834
103 HB3 ASN 13 1HB ASN 13 -4.894 6.028 5.665
104 HD21 ASN 13 1HD2 ASN 13 -4.895 7.910 4.494
105 HD22 ASN 13 2HD2 ASN 13 -5.460 8.031 2.875
106 H ASP 14 H ASP 14 -2.002 3.014 5.373
107 HA ASP 14 HA ASP 14 -1.386 2.134 2.693
108 HB2 ASP 14 2HB ASP 14 0.166 1.614 4.542
109 HB3 ASP 14 1HB ASP 14 -1.128 0.763 5.376
110 H LYS 15 H LYS 15 -2.757 1.009 1.501
111 HA LYS 15 HA LYS 15 -4.798 -0.613 2.857
112 HB2 LYS 15 2HB LYS 15 -5.117 0.962 0.287
113 HB3 LYS 15 1HB LYS 15 -6.311 -0.150 0.925
114 HG2 LYS 15 2HG LYS 15 -5.412 2.444 2.187
115 HG3 LYS 15 1HG LYS 15 -6.938 2.163 1.360
116 HD2 LYS 15 2HD LYS 15 -6.027 0.877 3.950
117 HD3 LYS 15 1HD LYS 15 -7.241 2.136 3.784
118 HE2 LYS 15 2HE LYS 15 -7.437 -0.681 2.700
119 HE3 LYS 15 1HE LYS 15 -8.262 -0.065 4.125
120 HZ1 LYS 15 3HZ LYS 15 -9.715 -0.135 2.224
121 HZ2 LYS 15 1HZ LYS 15 -8.691 0.844 1.329
122 HZ3 LYS 15 2HZ LYS 15 -9.498 1.466 2.675
123 H CYS 16 H CYS 16 -2.096 -1.207 1.895
124 HA CYS 16 HA CYS 16 -2.394 -2.562 -0.614
125 HB2 CYS 16 2HB CYS 16 -0.092 -2.645 1.342
126 HB3 CYS 16 1HB CYS 16 -0.052 -3.180 -0.324
127 H CYS 17 H CYS 17 -2.014 -4.797 -0.893
128 HA CYS 17 HA CYS 17 -3.610 -6.440 0.693
129 HB2 CYS 17 2HB CYS 17 -1.576 -7.114 -1.404
130 HB3 CYS 17 1HB CYS 17 -2.667 -8.302 -0.693
131 H SER 18 H SER 18 -2.900 -8.625 1.552
132 HA SER 18 HA SER 18 -1.224 -8.254 3.740
133 HB2 SER 18 2HB SER 18 -2.180 -10.812 2.459
134 HB3 SER 18 1HB SER 18 -1.646 -10.605 4.132
135 HG SER 18 HG SER 18 -3.379 -9.104 4.382
136 H GLY 19 H GLY 19 0.924 -8.420 3.888
137 HA2 GLY 19 2HA GLY 19 3.058 -9.273 3.489
138 HA3 GLY 19 1HA GLY 19 2.436 -10.127 2.077
139 H LEU 20 H LEU 20 1.427 -6.932 2.257
140 HA LEU 20 HA LEU 20 3.518 -6.030 0.425
141 HB2 LEU 20 2HB LEU 20 1.121 -6.857 -0.364
142 HB3 LEU 20 1HB LEU 20 0.663 -5.264 0.178
143 HG LEU 20 HG LEU 20 2.334 -4.324 -1.412
144 HD11 LEU 20 1HD1 LEU 20 3.074 -5.880 -3.194
145 HD12 LEU 20 2HD1 LEU 20 2.455 -7.222 -2.218
146 HD13 LEU 20 3HD1 LEU 20 3.783 -6.235 -1.616
147 HD21 LEU 20 3HD2 LEU 20 -0.039 -4.466 -1.929
148 HD22 LEU 20 1HD2 LEU 20 0.191 -6.112 -2.511
149 HD23 LEU 20 2HD2 LEU 20 0.950 -4.770 -3.358
150 H LYS 21 H LYS 21 3.919 -3.760 0.718
151 HA LYS 21 HA LYS 21 2.339 -2.375 2.751
152 HB2 LYS 21 2HB LYS 21 4.275 -3.556 3.883
153 HB3 LYS 21 1HB LYS 21 5.336 -2.536 2.914
154 HG2 LYS 21 2HG LYS 21 5.315 -1.262 4.795
155 HG3 LYS 21 1HG LYS 21 3.856 -0.625 4.049
156 HD2 LYS 21 2HD LYS 21 3.994 -2.769 6.182
157 HD3 LYS 21 1HD LYS 21 3.500 -1.099 6.423
158 HE2 LYS 21 2HE LYS 21 1.576 -1.487 4.930
159 HE3 LYS 21 1HE LYS 21 2.092 -3.163 4.742
160 HZ1 LYS 21 3HZ LYS 21 0.371 -3.048 6.378
161 HZ2 LYS 21 1HZ LYS 21 1.196 -1.865 7.257
162 HZ3 LYS 21 2HZ LYS 21 1.812 -3.424 7.162
163 H CYS 22 H CYS 22 2.292 -0.285 2.433
164 HA CYS 22 HA CYS 22 2.997 0.982 0.045
165 HB2 CYS 22 2HB CYS 22 1.239 1.731 1.639
166 HB3 CYS 22 1HB CYS 22 2.488 2.177 2.786
167 H GLY 23 H GLY 23 4.831 2.013 -0.597
168 HA2 GLY 23 2HA GLY 23 7.226 1.608 0.918
169 HA3 GLY 23 1HA GLY 23 7.100 2.366 -0.661
170 H SER 24 H SER 24 8.763 3.261 1.439
171 HA SER 24 HA SER 24 7.619 5.528 2.699
172 HB2 SER 24 2HB SER 24 10.087 5.991 3.136
173 HB3 SER 24 1HB SER 24 9.481 4.451 3.741
174 HG SER 24 HG SER 24 11.520 4.450 2.548
175 H ASN 25 H ASN 25 10.095 5.136 0.265
176 HA ASN 25 HA ASN 25 9.306 7.641 -1.048
177 HB2 ASN 25 2HB ASN 25 11.416 7.504 -2.280
178 HB3 ASN 25 1HB ASN 25 11.764 7.273 -0.573
179 HD21 ASN 25 1HD2 ASN 25 12.493 5.247 0.139
180 HD22 ASN 25 2HD2 ASN 25 12.981 4.021 -0.974
181 H HIS 26 H HIS 26 8.662 7.569 -3.200
182 HA HIS 26 HA HIS 26 7.338 6.790 -4.847
183 HB2 HIS 26 2HB HIS 26 8.812 4.157 -4.424
184 HB3 HIS 26 1HB HIS 26 7.681 4.450 -5.710
185 HD1 HIS 26 1HD HIS 26 11.182 5.384 -4.612
186 HD2 HIS 26 2HD HIS 26 8.577 5.890 -7.788
187 HE1 HIS 26 1HE HIS 26 12.571 6.310 -6.497
188 H ASN 27 H ASN 27 5.429 7.015 -3.950
189 HA ASN 27 HA ASN 27 4.609 5.156 -1.980
190 HB2 ASN 27 2HB ASN 27 3.375 7.667 -2.995
191 HB3 ASN 27 1HB ASN 27 2.388 6.513 -2.097
192 HD21 ASN 27 1HD2 ASN 27 2.852 6.102 0.028
193 HD22 ASN 27 2HD2 ASN 27 3.865 7.126 0.976
194 H TRP 28 H TRP 28 4.794 3.393 -3.159
195 HA TRP 28 HA TRP 28 2.217 2.649 -4.196
196 HB2 TRP 28 2HB TRP 28 3.346 1.095 -5.846
197 HB3 TRP 28 1HB TRP 28 3.397 2.795 -6.254
198 HD1 TRP 28 HD TRP 28 5.984 1.411 -3.774
199 HE1 TRP 28 1HE TRP 28 8.265 1.343 -4.886
200 HE3 TRP 28 3HE TRP 28 4.602 2.593 -8.553
201 HZ2 TRP 28 2HZ TRP 28 9.345 1.684 -7.339
202 HZ3 TRP 28 3HZ TRP 28 6.374 2.694 -10.263
203 HH2 TRP 28 HH TRP 28 8.704 2.255 -9.686
204 H CYS 29 H CYS 29 1.872 0.416 -4.069
205 HA CYS 29 HA CYS 29 2.689 -0.699 -1.594
206 HB2 CYS 29 2HB CYS 29 1.138 -1.755 -3.926
207 HB3 CYS 29 1HB CYS 29 1.291 -2.671 -2.455
208 H LYS 30 H LYS 30 4.609 -1.584 -1.265
209 HA LYS 30 HA LYS 30 6.023 -2.995 -3.439
210 HB2 LYS 30 2HB LYS 30 7.112 -1.887 -0.842
211 HB3 LYS 30 1HB LYS 30 8.039 -2.586 -2.156
212 HG2 LYS 30 2HG LYS 30 7.470 -0.676 -3.593
213 HG3 LYS 30 1HG LYS 30 6.461 -0.021 -2.302
214 HD2 LYS 30 2HD LYS 30 8.562 1.124 -2.297
215 HD3 LYS 30 1HD LYS 30 8.484 0.099 -0.867
216 HE2 LYS 30 2HE LYS 30 9.831 -1.613 -2.088
217 HE3 LYS 30 1HE LYS 30 9.953 -0.471 -3.430
218 HZ1 LYS 30 3HZ LYS 30 10.963 -0.001 -0.683
219 HZ2 LYS 30 1HZ LYS 30 11.087 1.066 -1.973
220 HZ3 LYS 30 2HZ LYS 30 11.908 -0.392 -2.030
221 H LEU 31 H LEU 31 7.444 -4.822 -2.476
222 HA LEU 31 HA LEU 31 5.803 -6.663 -1.067
223 HB2 LEU 31 2HB LEU 31 8.787 -6.736 -1.555
224 HB3 LEU 31 1HB LEU 31 7.806 -8.085 -1.032
225 HG LEU 31 HG LEU 31 7.611 -6.719 -3.720
226 HD11 LEU 31 1HD1 LEU 31 8.747 -9.398 -2.948
227 HD12 LEU 31 2HD1 LEU 31 9.666 -7.989 -3.477
228 HD13 LEU 31 3HD1 LEU 31 8.560 -8.790 -4.592
229 HD21 LEU 31 3HD2 LEU 31 6.239 -9.187 -2.668
230 HD22 LEU 31 1HD2 LEU 31 6.133 -8.564 -4.313
231 HD23 LEU 31 2HD2 LEU 31 5.465 -7.631 -2.972
232 H HIS 32 H HIS 32 5.565 -6.908 1.062
233 HA HIS 32 HA HIS 32 6.922 -5.114 2.839
234 HB2 HIS 32 2HB HIS 32 4.561 -5.670 3.242
235 HB3 HIS 32 1HB HIS 32 4.975 -7.366 3.419
236 HD1 HIS 32 1HD HIS 32 5.105 -8.086 5.814
237 HD2 HIS 32 2HD HIS 32 6.019 -4.058 5.340
238 HE1 HIS 32 1HE HIS 32 5.505 -7.185 8.124
239 H LEU 33 H LEU 33 8.883 -5.471 3.428
240 HA LEU 33 HA LEU 33 9.853 -8.202 3.755
241 HB2 LEU 33 2HB LEU 33 11.374 -5.598 3.518
242 HB3 LEU 33 1HB LEU 33 12.089 -7.190 3.639
243 HG LEU 33 HG LEU 33 10.441 -6.166 1.325
244 HD11 LEU 33 1HD1 LEU 33 12.626 -5.122 1.441
245 HD12 LEU 33 2HD1 LEU 33 12.546 -6.248 0.087
246 HD13 LEU 33 3HD1 LEU 33 13.394 -6.704 1.565
247 HD21 LEU 33 3HD2 LEU 33 11.127 -8.239 0.193
248 HD22 LEU 33 1HD2 LEU 33 10.145 -8.572 1.619
249 HD23 LEU 33 2HD2 LEU 33 11.893 -8.792 1.682
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 -11.489 -3.314 -1.100
2 H2 ASP 1 2HT ASP 1 -11.092 -4.647 -0.172
3 H3 ASP 1 3HT ASP 1 -12.234 -4.809 -1.412
4 HA ASP 1 HA ASP 1 -10.139 -5.730 -2.101
5 HB2 ASP 1 2HB ASP 1 -9.730 -4.395 -4.114
6 HB3 ASP 1 1HB ASP 1 -11.454 -4.522 -3.821
7 H CYS 2 H CYS 2 -7.985 -5.770 -1.782
8 HA CYS 2 HA CYS 2 -6.780 -3.469 -0.496
9 HB2 CYS 2 2HB CYS 2 -4.838 -5.018 -0.167
10 HB3 CYS 2 1HB CYS 2 -6.330 -5.551 0.598
11 H LEU 3 H LEU 3 -4.689 -2.650 -1.276
12 HA LEU 3 HA LEU 3 -4.748 -2.320 -4.120
13 HB2 LEU 3 2HB LEU 3 -2.640 -1.403 -2.165
14 HB3 LEU 3 1HB LEU 3 -2.855 -0.851 -3.806
15 HG LEU 3 HG LEU 3 -4.789 -0.422 -1.563
16 HD11 LEU 3 1HD1 LEU 3 -4.073 1.931 -1.731
17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.453 -2.909
18 HD13 LEU 3 3HD1 LEU 3 -2.764 0.851 -1.250
19 HD21 LEU 3 3HD2 LEU 3 -5.895 -0.548 -3.736
20 HD22 LEU 3 1HD2 LEU 3 -4.779 0.664 -4.367
21 HD23 LEU 3 2HD2 LEU 3 -5.921 1.095 -3.094
22 H LYS 4 H LYS 4 -3.282 -3.050 -5.577
23 HA LYS 4 HA LYS 4 -1.999 -5.564 -4.879
24 HB2 LYS 4 2HB LYS 4 -2.459 -4.227 -7.538
25 HB3 LYS 4 1HB LYS 4 -1.834 -5.848 -7.331
26 HG2 LYS 4 2HG LYS 4 -3.974 -6.527 -6.317
27 HG3 LYS 4 1HG LYS 4 -4.580 -4.882 -6.531
28 HD2 LYS 4 2HD LYS 4 -4.239 -5.089 -8.955
29 HD3 LYS 4 1HD LYS 4 -3.679 -6.743 -8.719
30 HE2 LYS 4 2HE LYS 4 -5.862 -7.371 -7.840
31 HE3 LYS 4 1HE LYS 4 -6.419 -5.706 -8.015
32 HZ1 LYS 4 3HZ LYS 4 -6.109 -5.884 -10.406
33 HZ2 LYS 4 1HZ LYS 4 -7.139 -7.107 -9.882
34 HZ3 LYS 4 2HZ LYS 4 -5.528 -7.437 -10.260
35 H PHE 5 H PHE 5 0.068 -5.920 -6.390
36 HA PHE 5 HA PHE 5 2.101 -4.304 -5.288
37 HB2 PHE 5 2HB PHE 5 2.444 -6.668 -5.861
38 HB3 PHE 5 1HB PHE 5 2.218 -6.295 -7.564
39 HD1 PHE 5 2HD PHE 5 4.383 -5.541 -4.656
40 HD2 PHE 5 1HD PHE 5 4.058 -5.737 -8.890
41 HE1 PHE 5 2HE PHE 5 6.791 -5.149 -4.853
42 HE2 PHE 5 1HE PHE 5 6.477 -5.344 -9.098
43 HZ PHE 5 HZ PHE 5 7.850 -5.052 -7.071
44 H GLY 6 H GLY 6 2.935 -2.474 -5.962
45 HA2 GLY 6 2HA GLY 6 3.689 -0.872 -7.448
46 HA3 GLY 6 1HA GLY 6 2.953 -1.775 -8.764
47 H TRP 7 H TRP 7 0.705 -1.381 -6.281
48 HA TRP 7 HA TRP 7 -0.601 0.665 -7.856
49 HB2 TRP 7 2HB TRP 7 -1.508 -1.103 -5.608
50 HB3 TRP 7 1HB TRP 7 -2.449 0.312 -6.066
51 HD1 TRP 7 HD TRP 7 -0.738 -1.931 -8.694
52 HE1 TRP 7 1HE TRP 7 -2.573 -3.045 -10.111
53 HE3 TRP 7 3HE TRP 7 -4.827 -0.431 -6.040
54 HZ2 TRP 7 2HZ TRP 7 -5.393 -3.257 -10.100
55 HZ3 TRP 7 3HZ TRP 7 -7.045 -1.130 -6.793
56 HH2 TRP 7 HH TRP 7 -7.330 -2.516 -8.787
57 H LYS 8 H LYS 8 -1.187 2.649 -7.135
58 HA LYS 8 HA LYS 8 0.695 3.776 -5.297
59 HB2 LYS 8 2HB LYS 8 -1.588 5.057 -6.807
60 HB3 LYS 8 1HB LYS 8 -0.371 5.923 -5.883
61 HG2 LYS 8 2HG LYS 8 0.218 4.181 -8.268
62 HG3 LYS 8 1HG LYS 8 0.054 5.937 -8.315
63 HD2 LYS 8 2HD LYS 8 1.957 6.203 -6.857
64 HD3 LYS 8 1HD LYS 8 2.070 4.461 -6.614
65 HE2 LYS 8 2HE LYS 8 3.740 5.289 -8.200
66 HE3 LYS 8 1HE LYS 8 2.633 4.142 -8.952
67 HZ1 LYS 8 3HZ LYS 8 3.069 6.019 -10.368
68 HZ2 LYS 8 1HZ LYS 8 2.536 7.100 -9.195
69 HZ3 LYS 8 2HZ LYS 8 1.449 6.039 -9.911
70 H CYS 9 H CYS 9 0.442 4.083 -3.283
71 HA CYS 9 HA CYS 9 -2.198 3.677 -2.117
72 HB2 CYS 9 2HB CYS 9 -0.883 3.213 -0.031
73 HB3 CYS 9 1HB CYS 9 -0.584 2.079 -1.344
74 H ASN 10 H ASN 10 -2.108 4.900 0.208
75 HA ASN 10 HA ASN 10 -1.781 7.710 -0.494
76 HB2 ASN 10 2HB ASN 10 -3.206 6.308 1.758
77 HB3 ASN 10 1HB ASN 10 -3.039 8.045 1.667
78 HD21 ASN 10 1HD2 ASN 10 -5.323 6.350 1.736
79 HD22 ASN 10 2HD2 ASN 10 -6.283 6.692 0.336
80 HA PRO 11 HA PRO 11 1.838 7.792 2.171
81 HB2 PRO 11 2HB PRO 11 1.777 10.513 2.684
82 HB3 PRO 11 1HB PRO 11 2.515 9.798 1.248
83 HG2 PRO 11 2HG PRO 11 -0.174 11.057 1.574
84 HG3 PRO 11 1HG PRO 11 0.964 11.180 0.221
85 HD2 PRO 11 2HD PRO 11 -1.202 9.604 0.113
86 HD3 PRO 11 1HD PRO 11 0.322 9.137 -0.662
87 H ARG 12 H ARG 12 -1.312 8.833 2.863
88 HA ARG 12 HA ARG 12 -0.996 9.367 5.634
89 HB2 ARG 12 2HB ARG 12 -3.358 9.062 3.869
90 HB3 ARG 12 1HB ARG 12 -3.512 9.269 5.608
91 HG2 ARG 12 2HG ARG 12 -2.338 11.366 5.501
92 HG3 ARG 12 1HG ARG 12 -2.067 11.152 3.769
93 HD2 ARG 12 2HD ARG 12 -3.917 12.634 4.233
94 HD3 ARG 12 1HD ARG 12 -4.399 11.155 3.370
95 HE ARG 12 HE ARG 12 -4.687 11.256 6.268
96 HH11 ARG 12 1HH1 ARG 12 -6.283 11.161 3.081
97 HH12 ARG 12 2HH1 ARG 12 -7.813 10.786 3.700
98 HH21 ARG 12 1HH2 ARG 12 -6.827 10.706 7.102
99 HH22 ARG 12 2HH2 ARG 12 -8.134 10.522 6.032
100 H ASN 13 H ASN 13 -1.986 6.474 3.693
101 HA ASN 13 HA ASN 13 -1.813 4.882 6.013
102 HB2 ASN 13 2HB ASN 13 -4.045 4.014 5.985
103 HB3 ASN 13 1HB ASN 13 -4.070 5.750 6.277
104 HD21 ASN 13 1HD2 ASN 13 -6.183 3.997 5.384
105 HD22 ASN 13 2HD2 ASN 13 -6.728 4.599 3.859
106 H ASP 14 H ASP 14 -1.276 2.911 5.571
107 HA ASP 14 HA ASP 14 -0.721 1.949 2.927
108 HB2 ASP 14 2HB ASP 14 0.536 1.268 5.036
109 HB3 ASP 14 1HB ASP 14 -0.913 0.389 5.506
110 H LYS 15 H LYS 15 -2.116 0.906 1.618
111 HA LYS 15 HA LYS 15 -4.422 -0.457 2.807
112 HB2 LYS 15 2HB LYS 15 -4.434 1.370 0.412
113 HB3 LYS 15 1HB LYS 15 -5.747 0.258 0.743
114 HG2 LYS 15 2HG LYS 15 -4.839 2.572 2.465
115 HG3 LYS 15 1HG LYS 15 -6.326 2.471 1.518
116 HD2 LYS 15 2HD LYS 15 -5.614 0.735 3.902
117 HD3 LYS 15 1HD LYS 15 -6.760 2.066 3.882
118 HE2 LYS 15 2HE LYS 15 -8.211 0.895 2.376
119 HE3 LYS 15 1HE LYS 15 -7.021 -0.384 2.151
120 HZ1 LYS 15 3HZ LYS 15 -8.801 -1.006 3.661
121 HZ2 LYS 15 1HZ LYS 15 -8.372 0.215 4.729
122 HZ3 LYS 15 2HZ LYS 15 -7.309 -1.058 4.410
123 H CYS 16 H CYS 16 -1.794 -1.299 1.840
124 HA CYS 16 HA CYS 16 -2.257 -2.662 -0.661
125 HB2 CYS 16 2HB CYS 16 0.032 -2.938 1.288
126 HB3 CYS 16 1HB CYS 16 0.026 -3.409 -0.404
127 H CYS 17 H CYS 17 -2.023 -5.031 -0.833
128 HA CYS 17 HA CYS 17 -3.663 -6.449 0.971
129 HB2 CYS 17 2HB CYS 17 -1.710 -7.529 -1.075
130 HB3 CYS 17 1HB CYS 17 -3.011 -8.440 -0.321
131 H SER 18 H SER 18 -2.945 -8.515 2.108
132 HA SER 18 HA SER 18 -0.911 -7.924 3.944
133 HB2 SER 18 2HB SER 18 -2.293 -10.547 3.357
134 HB3 SER 18 1HB SER 18 -1.452 -10.122 4.853
135 HG SER 18 HG SER 18 -3.005 -8.321 4.970
136 H GLY 19 H GLY 19 1.198 -8.466 3.910
137 HA2 GLY 19 2HA GLY 19 3.125 -9.633 3.235
138 HA3 GLY 19 1HA GLY 19 2.194 -10.373 1.933
139 H LEU 20 H LEU 20 1.540 -7.119 2.156
140 HA LEU 20 HA LEU 20 3.572 -6.341 0.195
141 HB2 LEU 20 2HB LEU 20 1.055 -6.996 -0.477
142 HB3 LEU 20 1HB LEU 20 0.750 -5.372 0.080
143 HG LEU 20 HG LEU 20 2.392 -4.558 -1.625
144 HD11 LEU 20 1HD1 LEU 20 2.979 -6.160 -3.407
145 HD12 LEU 20 2HD1 LEU 20 2.245 -7.451 -2.437
146 HD13 LEU 20 3HD1 LEU 20 3.662 -6.601 -1.838
147 HD21 LEU 20 3HD2 LEU 20 0.904 -4.925 -3.514
148 HD22 LEU 20 1HD2 LEU 20 -0.022 -4.545 -2.061
149 HD23 LEU 20 2HD2 LEU 20 0.086 -6.209 -2.627
150 H LYS 21 H LYS 21 4.017 -3.981 0.428
151 HA LYS 21 HA LYS 21 2.772 -2.714 2.765
152 HB2 LYS 21 2HB LYS 21 4.765 -3.789 3.643
153 HB3 LYS 21 1HB LYS 21 5.754 -2.975 2.426
154 HG2 LYS 21 2HG LYS 21 5.046 -0.790 3.441
155 HG3 LYS 21 1HG LYS 21 4.261 -1.717 4.717
156 HD2 LYS 21 2HD LYS 21 7.203 -1.880 4.065
157 HD3 LYS 21 1HD LYS 21 6.522 -0.839 5.310
158 HE2 LYS 21 2HE LYS 21 6.206 -3.837 5.241
159 HE3 LYS 21 1HE LYS 21 7.450 -2.993 6.153
160 HZ1 LYS 21 3HZ LYS 21 5.549 -3.593 7.501
161 HZ2 LYS 21 1HZ LYS 21 4.516 -2.644 6.569
162 HZ3 LYS 21 2HZ LYS 21 5.751 -1.926 7.456
163 H CYS 22 H CYS 22 2.566 -0.652 2.683
164 HA CYS 22 HA CYS 22 3.523 0.888 0.380
165 HB2 CYS 22 2HB CYS 22 1.129 1.026 0.724
166 HB3 CYS 22 1HB CYS 22 1.352 1.352 2.435
167 H GLY 23 H GLY 23 5.512 1.590 0.904
168 HA2 GLY 23 2HA GLY 23 6.007 2.563 3.617
169 HA3 GLY 23 1HA GLY 23 7.229 2.124 2.427
170 H SER 24 H SER 24 8.002 4.317 3.290
171 HA SER 24 HA SER 24 6.676 6.560 2.026
172 HB2 SER 24 2HB SER 24 8.516 7.761 3.330
173 HB3 SER 24 1HB SER 24 7.272 6.942 4.277
174 HG SER 24 HG SER 24 9.406 6.495 4.985
175 H ASN 25 H ASN 25 9.205 4.372 1.559
176 HA ASN 25 HA ASN 25 11.032 5.970 0.101
177 HB2 ASN 25 2HB ASN 25 12.016 3.827 -0.667
178 HB3 ASN 25 1HB ASN 25 11.806 3.886 1.075
179 HD21 ASN 25 1HD2 ASN 25 12.095 1.623 -0.733
180 HD22 ASN 25 2HD2 ASN 25 10.737 0.600 -0.440
181 H HIS 26 H HIS 26 8.287 4.042 -0.801
182 HA HIS 26 HA HIS 26 8.164 5.469 -3.308
183 HB2 HIS 26 2HB HIS 26 8.126 2.419 -3.130
184 HB3 HIS 26 1HB HIS 26 7.439 3.294 -4.468
185 HD1 HIS 26 1HD HIS 26 10.733 2.184 -3.092
186 HD2 HIS 26 2HD HIS 26 9.203 4.639 -6.038
187 HE1 HIS 26 1HE HIS 26 12.667 2.700 -4.611
188 H ASN 27 H ASN 27 6.087 5.828 -3.951
189 HA ASN 27 HA ASN 27 4.164 5.537 -1.798
190 HB2 ASN 27 2HB ASN 27 4.530 7.736 -2.967
191 HB3 ASN 27 1HB ASN 27 3.892 7.012 -4.434
192 HD21 ASN 27 1HD2 ASN 27 2.620 6.525 -1.147
193 HD22 ASN 27 2HD2 ASN 27 1.103 7.260 -1.494
194 H TRP 28 H TRP 28 5.002 3.317 -3.511
195 HA TRP 28 HA TRP 28 2.324 2.530 -4.279
196 HB2 TRP 28 2HB TRP 28 3.157 1.187 -6.181
197 HB3 TRP 28 1HB TRP 28 3.570 2.853 -6.316
198 HD1 TRP 28 HD TRP 28 5.513 -0.151 -4.745
199 HE1 TRP 28 1HE TRP 28 7.849 -0.176 -5.770
200 HE3 TRP 28 3HE TRP 28 5.001 3.804 -7.755
201 HZ2 TRP 28 2HZ TRP 28 9.318 1.327 -7.612
202 HZ3 TRP 28 3HZ TRP 28 6.941 4.526 -9.185
203 HH2 TRP 28 HH TRP 28 9.055 3.292 -9.105
204 H CYS 29 H CYS 29 1.975 0.333 -4.239
205 HA CYS 29 HA CYS 29 2.818 -0.818 -1.761
206 HB2 CYS 29 2HB CYS 29 1.090 -1.808 -3.990
207 HB3 CYS 29 1HB CYS 29 1.355 -2.758 -2.550
208 H LYS 30 H LYS 30 4.759 -1.699 -1.545
209 HA LYS 30 HA LYS 30 5.881 -3.336 -3.723
210 HB2 LYS 30 2HB LYS 30 7.252 -2.249 -1.254
211 HB3 LYS 30 1HB LYS 30 8.008 -3.182 -2.528
212 HG2 LYS 30 2HG LYS 30 7.390 -1.302 -4.100
213 HG3 LYS 30 1HG LYS 30 6.933 -0.382 -2.678
214 HD2 LYS 30 2HD LYS 30 9.205 0.192 -3.335
215 HD3 LYS 30 1HD LYS 30 9.225 -0.652 -1.785
216 HE2 LYS 30 2HE LYS 30 9.845 -2.755 -2.948
217 HE3 LYS 30 1HE LYS 30 9.771 -1.878 -4.481
218 HZ1 LYS 30 3HZ LYS 30 11.646 -1.224 -2.297
219 HZ2 LYS 30 1HZ LYS 30 11.629 -0.601 -3.863
220 HZ3 LYS 30 2HZ LYS 30 12.012 -2.214 -3.593
221 H LEU 31 H LEU 31 7.320 -5.187 -2.676
222 HA LEU 31 HA LEU 31 5.521 -6.922 -1.294
223 HB2 LEU 31 2HB LEU 31 8.475 -7.201 -1.833
224 HB3 LEU 31 1HB LEU 31 7.445 -8.468 -1.208
225 HG LEU 31 HG LEU 31 7.210 -7.211 -3.944
226 HD11 LEU 31 1HD1 LEU 31 7.984 -9.400 -4.735
227 HD12 LEU 31 2HD1 LEU 31 8.263 -9.890 -3.062
228 HD13 LEU 31 3HD1 LEU 31 9.189 -8.562 -3.762
229 HD21 LEU 31 3HD2 LEU 31 5.040 -7.952 -3.119
230 HD22 LEU 31 1HD2 LEU 31 5.722 -9.524 -2.695
231 HD23 LEU 31 2HD2 LEU 31 5.621 -9.031 -4.383
232 H HIS 32 H HIS 32 5.670 -7.730 0.814
233 HA HIS 32 HA HIS 32 6.772 -5.813 2.679
234 HB2 HIS 32 2HB HIS 32 4.518 -7.044 2.928
235 HB3 HIS 32 1HB HIS 32 5.474 -8.451 3.368
236 HD1 HIS 32 1HD HIS 32 6.955 -8.138 5.662
237 HD2 HIS 32 2HD HIS 32 4.019 -5.307 4.899
238 HE1 HIS 32 1HE HIS 32 6.596 -6.903 7.812
239 H LEU 33 H LEU 33 8.582 -6.123 3.841
240 HA LEU 33 HA LEU 33 10.260 -8.368 3.135
241 HB2 LEU 33 2HB LEU 33 10.840 -5.954 4.847
242 HB3 LEU 33 1HB LEU 33 12.008 -7.139 4.308
243 HG LEU 33 HG LEU 33 10.508 -5.211 2.531
244 HD11 LEU 33 1HD1 LEU 33 13.392 -5.313 3.361
245 HD12 LEU 33 2HD1 LEU 33 12.191 -4.136 3.898
246 HD13 LEU 33 3HD1 LEU 33 12.680 -4.189 2.205
247 HD21 LEU 33 3HD2 LEU 33 12.645 -7.230 1.874
248 HD22 LEU 33 1HD2 LEU 33 11.998 -6.019 0.766
249 HD23 LEU 33 2HD2 LEU 33 10.951 -7.297 1.376
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 -11.967 -3.019 -1.489
2 H2 ASP 1 2HT ASP 1 -10.683 -2.091 -2.105
3 H3 ASP 1 3HT ASP 1 -10.725 -2.468 -0.482
4 HA ASP 1 HA ASP 1 -10.404 -4.792 -0.955
5 HB2 ASP 1 2HB ASP 1 -11.471 -4.501 -3.321
6 HB3 ASP 1 1HB ASP 1 -9.874 -3.906 -3.779
7 H CYS 2 H CYS 2 -8.108 -5.544 -1.414
8 HA CYS 2 HA CYS 2 -6.463 -3.380 -0.515
9 HB2 CYS 2 2HB CYS 2 -4.709 -5.033 -0.183
10 HB3 CYS 2 1HB CYS 2 -6.208 -5.517 0.592
11 H LEU 3 H LEU 3 -4.663 -2.622 -1.409
12 HA LEU 3 HA LEU 3 -4.664 -2.452 -4.275
13 HB2 LEU 3 2HB LEU 3 -2.684 -1.348 -2.284
14 HB3 LEU 3 1HB LEU 3 -2.872 -0.865 -3.952
15 HG LEU 3 HG LEU 3 -4.957 -0.470 -1.826
16 HD11 LEU 3 1HD1 LEU 3 -4.309 1.893 -1.924
17 HD12 LEU 3 2HD1 LEU 3 -2.996 1.481 -3.027
18 HD13 LEU 3 3HD1 LEU 3 -2.981 0.875 -1.371
19 HD21 LEU 3 3HD2 LEU 3 -6.003 0.996 -3.474
20 HD22 LEU 3 1HD2 LEU 3 -5.852 -0.653 -4.090
21 HD23 LEU 3 2HD2 LEU 3 -4.729 0.597 -4.630
22 H LYS 4 H LYS 4 -3.153 -3.269 -5.624
23 HA LYS 4 HA LYS 4 -1.658 -5.547 -4.596
24 HB2 LYS 4 2HB LYS 4 -2.161 -4.639 -7.425
25 HB3 LYS 4 1HB LYS 4 -1.236 -6.061 -6.990
26 HG2 LYS 4 2HG LYS 4 -3.303 -6.948 -5.882
27 HG3 LYS 4 1HG LYS 4 -4.175 -5.573 -6.564
28 HD2 LYS 4 2HD LYS 4 -4.453 -7.507 -8.019
29 HD3 LYS 4 1HD LYS 4 -3.472 -6.290 -8.829
30 HE2 LYS 4 2HE LYS 4 -1.441 -7.513 -8.307
31 HE3 LYS 4 1HE LYS 4 -2.354 -8.672 -7.347
32 HZ1 LYS 4 3HZ LYS 4 -3.442 -9.417 -9.328
33 HZ2 LYS 4 1HZ LYS 4 -1.784 -9.512 -9.525
34 HZ3 LYS 4 2HZ LYS 4 -2.639 -8.277 -10.287
35 H PHE 5 H PHE 5 0.475 -5.898 -5.868
36 HA PHE 5 HA PHE 5 2.290 -3.946 -5.003
37 HB2 PHE 5 2HB PHE 5 2.834 -6.366 -5.342
38 HB3 PHE 5 1HB PHE 5 2.739 -6.107 -7.077
39 HD1 PHE 5 1HD PHE 5 4.484 -4.880 -8.245
40 HD2 PHE 5 2HD PHE 5 4.708 -5.550 -4.056
41 HE1 PHE 5 1HE PHE 5 6.857 -4.259 -8.273
42 HE2 PHE 5 2HE PHE 5 7.069 -4.936 -4.072
43 HZ PHE 5 HZ PHE 5 8.159 -4.288 -6.182
44 H GLY 6 H GLY 6 2.964 -2.169 -5.902
45 HA2 GLY 6 2HA GLY 6 3.649 -0.752 -7.647
46 HA3 GLY 6 1HA GLY 6 2.873 -1.834 -8.790
47 H TRP 7 H TRP 7 0.683 -1.278 -6.330
48 HA TRP 7 HA TRP 7 -0.689 0.657 -8.016
49 HB2 TRP 7 2HB TRP 7 -1.563 -0.995 -5.649
50 HB3 TRP 7 1HB TRP 7 -2.569 0.280 -6.320
51 HD1 TRP 7 HD TRP 7 -0.616 -2.059 -8.643
52 HE1 TRP 7 1HE TRP 7 -2.309 -3.541 -9.925
53 HE3 TRP 7 3HE TRP 7 -4.878 -0.752 -6.176
54 HZ2 TRP 7 2HZ TRP 7 -5.062 -4.077 -9.873
55 HZ3 TRP 7 3HZ TRP 7 -6.998 -1.791 -6.842
56 HH2 TRP 7 HH TRP 7 -7.089 -3.418 -8.654
57 H LYS 8 H LYS 8 -1.312 2.705 -7.262
58 HA LYS 8 HA LYS 8 0.497 3.941 -5.486
59 HB2 LYS 8 2HB LYS 8 -2.123 4.939 -6.596
60 HB3 LYS 8 1HB LYS 8 -1.061 5.907 -5.594
61 HG2 LYS 8 2HG LYS 8 -0.389 4.750 -8.286
62 HG3 LYS 8 1HG LYS 8 -0.794 6.434 -7.942
63 HD2 LYS 8 2HD LYS 8 1.194 6.507 -6.416
64 HD3 LYS 8 1HD LYS 8 1.618 4.894 -6.984
65 HE2 LYS 8 2HE LYS 8 1.425 7.404 -8.640
66 HE3 LYS 8 1HE LYS 8 2.889 6.541 -8.192
67 HZ1 LYS 8 3HZ LYS 8 2.119 4.643 -9.492
68 HZ2 LYS 8 1HZ LYS 8 2.255 6.021 -10.436
69 HZ3 LYS 8 2HZ LYS 8 0.735 5.495 -9.959
70 H CYS 9 H CYS 9 0.492 4.199 -3.451
71 HA CYS 9 HA CYS 9 -1.912 3.570 -1.884
72 HB2 CYS 9 2HB CYS 9 -0.349 2.778 -0.152
73 HB3 CYS 9 1HB CYS 9 -0.143 1.869 -1.647
74 H ASN 10 H ASN 10 -1.498 4.677 0.431
75 HA ASN 10 HA ASN 10 -0.220 7.258 -0.028
76 HB2 ASN 10 2HB ASN 10 -2.754 6.659 1.519
77 HB3 ASN 10 1HB ASN 10 -1.881 8.183 1.621
78 HD21 ASN 10 1HD2 ASN 10 -4.599 7.640 0.735
79 HD22 ASN 10 2HD2 ASN 10 -4.705 8.233 -0.877
80 HA PRO 11 HA PRO 11 2.449 5.924 3.207
81 HB2 PRO 11 2HB PRO 11 2.934 8.423 4.347
82 HB3 PRO 11 1HB PRO 11 3.840 7.715 3.010
83 HG2 PRO 11 2HG PRO 11 1.630 9.709 2.961
84 HG3 PRO 11 1HG PRO 11 3.061 9.596 1.927
85 HD2 PRO 11 2HD PRO 11 0.648 8.853 1.051
86 HD3 PRO 11 1HD PRO 11 2.111 7.965 0.574
87 H ARG 12 H ARG 12 -0.186 8.114 3.987
88 HA ARG 12 HA ARG 12 -0.170 7.247 6.751
89 HB2 ARG 12 2HB ARG 12 -1.880 9.191 5.258
90 HB3 ARG 12 1HB ARG 12 -2.191 8.725 6.918
91 HG2 ARG 12 2HG ARG 12 0.312 10.059 5.888
92 HG3 ARG 12 1HG ARG 12 -0.979 10.846 6.801
93 HD2 ARG 12 2HD ARG 12 0.876 8.667 7.773
94 HD3 ARG 12 1HD ARG 12 0.828 10.345 8.295
95 HE ARG 12 HE ARG 12 -1.672 9.482 8.822
96 HH11 ARG 12 1HH1 ARG 12 1.525 8.269 9.763
97 HH12 ARG 12 2HH1 ARG 12 0.978 7.523 11.183
98 HH21 ARG 12 1HH2 ARG 12 -2.414 8.481 10.755
99 HH22 ARG 12 2HH2 ARG 12 -1.307 7.655 11.778
100 H ASN 13 H ASN 13 -1.916 6.583 3.842
101 HA ASN 13 HA ASN 13 -3.685 4.829 5.395
102 HB2 ASN 13 2HB ASN 13 -4.996 6.682 4.418
103 HB3 ASN 13 1HB ASN 13 -4.406 6.257 2.816
104 HD21 ASN 13 1HD2 ASN 13 -6.466 5.860 2.036
105 HD22 ASN 13 2HD2 ASN 13 -7.386 4.476 2.481
106 H ASP 14 H ASP 14 -2.477 3.081 5.210
107 HA ASP 14 HA ASP 14 -1.525 2.160 2.626
108 HB2 ASP 14 2HB ASP 14 -0.188 1.853 4.746
109 HB3 ASP 14 1HB ASP 14 -1.456 0.774 5.310
110 H LYS 15 H LYS 15 -2.863 1.079 1.381
111 HA LYS 15 HA LYS 15 -4.913 -0.600 2.644
112 HB2 LYS 15 2HB LYS 15 -5.092 0.995 0.089
113 HB3 LYS 15 1HB LYS 15 -6.266 -0.213 0.571
114 HG2 LYS 15 2HG LYS 15 -5.627 2.324 2.077
115 HG3 LYS 15 1HG LYS 15 -7.021 2.070 1.029
116 HD2 LYS 15 2HD LYS 15 -6.418 0.541 3.577
117 HD3 LYS 15 1HD LYS 15 -7.598 1.833 3.413
118 HE2 LYS 15 2HE LYS 15 -7.695 -0.825 1.957
119 HE3 LYS 15 1HE LYS 15 -8.644 -0.388 3.371
120 HZ1 LYS 15 3HZ LYS 15 -8.809 0.966 0.727
121 HZ2 LYS 15 1HZ LYS 15 -9.725 1.336 2.094
122 HZ3 LYS 15 2HZ LYS 15 -9.909 -0.150 1.325
123 H CYS 16 H CYS 16 -2.118 -1.165 1.747
124 HA CYS 16 HA CYS 16 -2.406 -2.614 -0.711
125 HB2 CYS 16 2HB CYS 16 -0.129 -2.697 1.284
126 HB3 CYS 16 1HB CYS 16 -0.068 -3.192 -0.398
127 H CYS 17 H CYS 17 -2.004 -4.951 -0.850
128 HA CYS 17 HA CYS 17 -3.649 -6.451 0.874
129 HB2 CYS 17 2HB CYS 17 -1.596 -7.374 -1.141
130 HB3 CYS 17 1HB CYS 17 -2.804 -8.416 -0.406
131 H SER 18 H SER 18 -2.908 -8.544 1.952
132 HA SER 18 HA SER 18 -1.160 -7.902 4.047
133 HB2 SER 18 2HB SER 18 -3.051 -9.529 4.236
134 HB3 SER 18 1HB SER 18 -2.161 -10.641 3.202
135 HG SER 18 HG SER 18 -1.611 -9.817 5.830
136 H GLY 19 H GLY 19 0.972 -8.212 4.272
137 HA2 GLY 19 2HA GLY 19 3.081 -9.135 3.868
138 HA3 GLY 19 1HA GLY 19 2.405 -10.017 2.498
139 H LEU 20 H LEU 20 1.309 -6.946 2.299
140 HA LEU 20 HA LEU 20 3.514 -6.055 0.584
141 HB2 LEU 20 2HB LEU 20 1.111 -6.895 -0.269
142 HB3 LEU 20 1HB LEU 20 0.666 -5.275 0.195
143 HG LEU 20 HG LEU 20 2.429 -4.431 -1.370
144 HD11 LEU 20 1HD1 LEU 20 2.479 -7.350 -2.088
145 HD12 LEU 20 2HD1 LEU 20 3.834 -6.383 -1.495
146 HD13 LEU 20 3HD1 LEU 20 3.138 -6.070 -3.095
147 HD21 LEU 20 3HD2 LEU 20 0.061 -4.513 -1.981
148 HD22 LEU 20 1HD2 LEU 20 0.272 -6.176 -2.532
149 HD23 LEU 20 2HD2 LEU 20 1.110 -4.860 -3.354
150 H LYS 21 H LYS 21 3.707 -3.653 0.696
151 HA LYS 21 HA LYS 21 2.131 -2.317 2.737
152 HB2 LYS 21 2HB LYS 21 4.023 -3.400 3.975
153 HB3 LYS 21 1HB LYS 21 5.136 -2.472 2.970
154 HG2 LYS 21 2HG LYS 21 4.284 -0.405 3.891
155 HG3 LYS 21 1HG LYS 21 3.095 -1.287 4.839
156 HD2 LYS 21 2HD LYS 21 4.935 -0.653 6.259
157 HD3 LYS 21 1HD LYS 21 4.947 -2.400 6.052
158 HE2 LYS 21 2HE LYS 21 6.740 -2.279 4.474
159 HE3 LYS 21 1HE LYS 21 6.646 -0.522 4.416
160 HZ1 LYS 21 3HZ LYS 21 7.442 -2.105 6.822
161 HZ2 LYS 21 1HZ LYS 21 7.414 -0.427 6.692
162 HZ3 LYS 21 2HZ LYS 21 8.494 -1.346 5.780
163 H CYS 22 H CYS 22 2.206 -0.110 2.547
164 HA CYS 22 HA CYS 22 2.781 0.981 0.016
165 HB2 CYS 22 2HB CYS 22 1.095 1.860 1.646
166 HB3 CYS 22 1HB CYS 22 2.421 2.416 2.659
167 H GLY 23 H GLY 23 4.653 1.824 -0.780
168 HA2 GLY 23 2HA GLY 23 7.044 1.445 0.754
169 HA3 GLY 23 1HA GLY 23 6.934 2.024 -0.899
170 H SER 24 H SER 24 8.758 3.100 0.746
171 HA SER 24 HA SER 24 7.653 5.674 1.556
172 HB2 SER 24 2HB SER 24 9.971 5.923 2.613
173 HB3 SER 24 1HB SER 24 8.895 4.714 3.317
174 HG SER 24 HG SER 24 10.009 3.139 2.435
175 H ASN 25 H ASN 25 10.333 4.326 -0.311
176 HA ASN 25 HA ASN 25 11.039 6.876 -1.430
177 HB2 ASN 25 2HB ASN 25 12.701 5.691 -2.744
178 HB3 ASN 25 1HB ASN 25 12.736 5.094 -1.094
179 HD21 ASN 25 1HD2 ASN 25 13.634 3.895 -3.584
180 HD22 ASN 25 2HD2 ASN 25 12.849 2.372 -3.716
181 H HIS 26 H HIS 26 8.665 4.682 -2.091
182 HA HIS 26 HA HIS 26 8.096 5.982 -4.609
183 HB2 HIS 26 2HB HIS 26 8.220 2.991 -4.193
184 HB3 HIS 26 1HB HIS 26 7.188 3.689 -5.427
185 HD1 HIS 26 1HD HIS 26 10.522 2.324 -5.077
186 HD2 HIS 26 2HD HIS 26 8.741 5.474 -7.070
187 HE1 HIS 26 1HE HIS 26 12.106 2.931 -6.916
188 H ASN 27 H ASN 27 5.815 5.792 -5.164
189 HA ASN 27 HA ASN 27 4.314 5.966 -2.666
190 HB2 ASN 27 2HB ASN 27 4.463 7.987 -4.185
191 HB3 ASN 27 1HB ASN 27 3.559 7.075 -5.384
192 HD21 ASN 27 1HD2 ASN 27 2.974 7.034 -1.894
193 HD22 ASN 27 2HD2 ASN 27 1.404 7.728 -1.992
194 H TRP 28 H TRP 28 4.956 3.550 -4.173
195 HA TRP 28 HA TRP 28 2.224 2.686 -4.682
196 HB2 TRP 28 2HB TRP 28 3.046 1.000 -6.303
197 HB3 TRP 28 1HB TRP 28 3.428 2.625 -6.766
198 HD1 TRP 28 HD TRP 28 5.499 0.185 -4.538
199 HE1 TRP 28 1HE TRP 28 7.833 -0.050 -5.588
200 HE3 TRP 28 3HE TRP 28 4.780 3.017 -8.626
201 HZ2 TRP 28 2HZ TRP 28 9.187 0.845 -7.824
202 HZ3 TRP 28 3HZ TRP 28 6.666 3.307 -10.247
203 HH2 TRP 28 HH TRP 28 8.822 2.234 -9.847
204 H CYS 29 H CYS 29 1.815 0.517 -4.311
205 HA CYS 29 HA CYS 29 2.650 -0.413 -1.763
206 HB2 CYS 29 2HB CYS 29 1.048 -1.610 -3.982
207 HB3 CYS 29 1HB CYS 29 1.312 -2.522 -2.526
208 H LYS 30 H LYS 30 4.467 -1.379 -1.306
209 HA LYS 30 HA LYS 30 5.922 -2.909 -3.359
210 HB2 LYS 30 2HB LYS 30 6.976 -1.562 -0.856
211 HB3 LYS 30 1HB LYS 30 7.926 -2.408 -2.064
212 HG2 LYS 30 2HG LYS 30 7.385 -0.675 -3.704
213 HG3 LYS 30 1HG LYS 30 6.404 0.157 -2.496
214 HD2 LYS 30 2HD LYS 30 8.542 1.244 -2.608
215 HD3 LYS 30 1HD LYS 30 8.451 0.361 -1.084
216 HE2 LYS 30 2HE LYS 30 9.731 -1.489 -2.147
217 HE3 LYS 30 1HE LYS 30 9.880 -0.487 -3.590
218 HZ1 LYS 30 3HZ LYS 30 10.953 0.130 -0.900
219 HZ2 LYS 30 1HZ LYS 30 11.050 1.170 -2.222
220 HZ3 LYS 30 2HZ LYS 30 11.853 -0.308 -2.242
221 H LEU 31 H LEU 31 7.569 -4.345 -1.748
222 HA LEU 31 HA LEU 31 5.851 -6.296 -0.576
223 HB2 LEU 31 2HB LEU 31 8.841 -5.956 -0.296
224 HB3 LEU 31 1HB LEU 31 7.936 -7.413 0.066
225 HG LEU 31 HG LEU 31 8.332 -6.198 -2.671
226 HD11 LEU 31 1HD1 LEU 31 9.489 -8.683 -1.433
227 HD12 LEU 31 2HD1 LEU 31 10.357 -7.192 -1.802
228 HD13 LEU 31 3HD1 LEU 31 9.692 -8.171 -3.109
229 HD21 LEU 31 3HD2 LEU 31 6.166 -7.328 -2.502
230 HD22 LEU 31 1HD2 LEU 31 6.965 -8.772 -1.875
231 HD23 LEU 31 2HD2 LEU 31 7.278 -8.232 -3.526
232 H HIS 32 H HIS 32 5.873 -6.897 1.748
233 HA HIS 32 HA HIS 32 5.827 -4.481 3.324
234 HB2 HIS 32 2HB HIS 32 4.108 -6.396 3.447
235 HB3 HIS 32 1HB HIS 32 5.331 -7.231 4.404
236 HD1 HIS 32 1HD HIS 32 2.465 -5.087 4.804
237 HD2 HIS 32 2HD HIS 32 6.099 -5.555 6.759
238 HE1 HIS 32 1HE HIS 32 2.181 -4.034 7.064
239 H LEU 33 H LEU 33 7.983 -4.050 3.231
240 HA LEU 33 HA LEU 33 9.666 -5.645 5.037
241 HB2 LEU 33 2HB LEU 33 10.543 -3.656 2.932
242 HB3 LEU 33 1HB LEU 33 11.593 -4.654 3.911
243 HG LEU 33 HG LEU 33 9.724 -5.619 1.743
244 HD11 LEU 33 1HD1 LEU 33 11.772 -6.190 0.551
245 HD12 LEU 33 2HD1 LEU 33 12.728 -5.499 1.860
246 HD13 LEU 33 3HD1 LEU 33 11.683 -4.461 0.892
247 HD21 LEU 33 3HD2 LEU 33 11.670 -7.191 3.440
248 HD22 LEU 33 1HD2 LEU 33 10.740 -7.819 2.082
249 HD23 LEU 33 2HD2 LEU 33 9.910 -7.279 3.541
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 -11.074 -2.691 -2.288
2 H2 ASP 1 2HT ASP 1 -10.974 -3.449 -0.811
3 H3 ASP 1 3HT ASP 1 -12.151 -3.965 -1.937
4 HA ASP 1 HA ASP 1 -10.306 -5.497 -1.944
5 HB2 ASP 1 2HB ASP 1 -9.570 -5.288 -4.282
6 HB3 ASP 1 1HB ASP 1 -11.284 -4.917 -4.161
7 H CYS 2 H CYS 2 -8.011 -5.815 -1.914
8 HA CYS 2 HA CYS 2 -6.706 -3.493 -0.801
9 HB2 CYS 2 2HB CYS 2 -4.842 -5.028 -0.268
10 HB3 CYS 2 1HB CYS 2 -6.367 -5.555 0.419
11 H LEU 3 H LEU 3 -4.762 -2.671 -1.533
12 HA LEU 3 HA LEU 3 -4.641 -2.538 -4.384
13 HB2 LEU 3 2HB LEU 3 -2.743 -1.403 -2.343
14 HB3 LEU 3 1HB LEU 3 -2.892 -0.927 -4.016
15 HG LEU 3 HG LEU 3 -5.025 -0.557 -1.940
16 HD11 LEU 3 1HD1 LEU 3 -3.060 1.407 -3.111
17 HD12 LEU 3 2HD1 LEU 3 -3.080 0.796 -1.452
18 HD13 LEU 3 3HD1 LEU 3 -4.400 1.812 -2.035
19 HD21 LEU 3 3HD2 LEU 3 -5.857 -0.769 -4.238
20 HD22 LEU 3 1HD2 LEU 3 -4.770 0.519 -4.743
21 HD23 LEU 3 2HD2 LEU 3 -6.087 0.872 -3.617
22 H LYS 4 H LYS 4 -3.154 -3.397 -5.682
23 HA LYS 4 HA LYS 4 -1.679 -5.698 -4.649
24 HB2 LYS 4 2HB LYS 4 -2.127 -4.801 -7.495
25 HB3 LYS 4 1HB LYS 4 -1.377 -6.308 -7.007
26 HG2 LYS 4 2HG LYS 4 -3.489 -7.036 -6.015
27 HG3 LYS 4 1HG LYS 4 -4.233 -5.505 -6.497
28 HD2 LYS 4 2HD LYS 4 -3.706 -6.018 -8.851
29 HD3 LYS 4 1HD LYS 4 -3.039 -7.567 -8.346
30 HE2 LYS 4 2HE LYS 4 -5.233 -8.220 -7.474
31 HE3 LYS 4 1HE LYS 4 -5.887 -6.663 -7.975
32 HZ1 LYS 4 3HZ LYS 4 -6.377 -8.396 -9.599
33 HZ2 LYS 4 1HZ LYS 4 -4.737 -8.700 -9.802
34 HZ3 LYS 4 2HZ LYS 4 -5.388 -7.230 -10.276
35 H PHE 5 H PHE 5 0.451 -6.132 -5.901
36 HA PHE 5 HA PHE 5 2.331 -4.226 -5.045
37 HB2 PHE 5 2HB PHE 5 2.851 -6.621 -5.187
38 HB3 PHE 5 1HB PHE 5 2.687 -6.561 -6.934
39 HD1 PHE 5 2HD PHE 5 4.610 -4.932 -4.193
40 HD2 PHE 5 1HD PHE 5 4.601 -6.329 -8.208
41 HE1 PHE 5 2HE PHE 5 6.979 -4.387 -4.379
42 HE2 PHE 5 1HE PHE 5 6.986 -5.778 -8.405
43 HZ PHE 5 HZ PHE 5 8.184 -4.805 -6.491
44 H GLY 6 H GLY 6 2.799 -2.365 -5.914
45 HA2 GLY 6 2HA GLY 6 3.725 -1.121 -7.723
46 HA3 GLY 6 1HA GLY 6 2.824 -2.142 -8.836
47 H TRP 7 H TRP 7 0.596 -1.644 -6.552
48 HA TRP 7 HA TRP 7 -0.645 0.430 -8.138
49 HB2 TRP 7 2HB TRP 7 -1.607 -1.139 -5.744
50 HB3 TRP 7 1HB TRP 7 -2.535 0.148 -6.511
51 HD1 TRP 7 HD TRP 7 -0.629 -2.287 -8.737
52 HE1 TRP 7 1HE TRP 7 -2.310 -3.783 -9.966
53 HE3 TRP 7 3HE TRP 7 -4.877 -0.902 -6.284
54 HZ2 TRP 7 2HZ TRP 7 -5.087 -4.304 -9.902
55 HZ3 TRP 7 3HZ TRP 7 -7.005 -1.951 -6.925
56 HH2 TRP 7 HH TRP 7 -7.107 -3.609 -8.692
57 H LYS 8 H LYS 8 -1.045 2.466 -7.461
58 HA LYS 8 HA LYS 8 0.807 3.412 -5.523
59 HB2 LYS 8 2HB LYS 8 -1.207 4.864 -7.161
60 HB3 LYS 8 1HB LYS 8 -0.211 5.665 -5.957
61 HG2 LYS 8 2HG LYS 8 1.755 4.596 -7.257
62 HG3 LYS 8 1HG LYS 8 0.564 4.444 -8.558
63 HD2 LYS 8 2HD LYS 8 0.061 6.820 -8.371
64 HD3 LYS 8 1HD LYS 8 1.227 6.917 -7.047
65 HE2 LYS 8 2HE LYS 8 3.012 6.208 -8.611
66 HE3 LYS 8 1HE LYS 8 1.830 6.230 -9.918
67 HZ1 LYS 8 3HZ LYS 8 3.114 8.234 -9.897
68 HZ2 LYS 8 1HZ LYS 8 2.684 8.568 -8.310
69 HZ3 LYS 8 2HZ LYS 8 1.520 8.613 -9.533
70 H CYS 9 H CYS 9 0.382 4.813 -3.803
71 HA CYS 9 HA CYS 9 -2.171 4.712 -2.495
72 HB2 CYS 9 2HB CYS 9 -1.329 3.466 -0.516
73 HB3 CYS 9 1HB CYS 9 -1.366 2.467 -1.967
74 H ASN 10 H ASN 10 -1.723 5.527 -0.119
75 HA ASN 10 HA ASN 10 0.272 7.674 -0.243
76 HB2 ASN 10 2HB ASN 10 -2.406 7.589 1.168
77 HB3 ASN 10 1HB ASN 10 -1.223 8.870 1.375
78 HD21 ASN 10 1HD2 ASN 10 -3.955 8.927 0.420
79 HD22 ASN 10 2HD2 ASN 10 -3.920 9.646 -1.143
80 HA PRO 11 HA PRO 11 2.085 5.286 3.028
81 HB2 PRO 11 2HB PRO 11 3.705 7.209 4.107
82 HB3 PRO 11 1HB PRO 11 4.074 6.357 2.603
83 HG2 PRO 11 2HG PRO 11 2.833 9.052 2.994
84 HG3 PRO 11 1HG PRO 11 4.098 8.564 1.850
85 HD2 PRO 11 2HD PRO 11 1.544 8.854 1.080
86 HD3 PRO 11 1HD PRO 11 2.576 7.578 0.399
87 H ARG 12 H ARG 12 0.092 7.882 3.491
88 HA ARG 12 HA ARG 12 0.110 8.067 6.357
89 HB2 ARG 12 2HB ARG 12 -1.707 9.110 4.231
90 HB3 ARG 12 1HB ARG 12 -1.960 9.386 5.945
91 HG2 ARG 12 2HG ARG 12 0.195 10.535 6.075
92 HG3 ARG 12 1HG ARG 12 0.468 10.214 4.360
93 HD2 ARG 12 2HD ARG 12 -1.858 11.727 5.462
94 HD3 ARG 12 1HD ARG 12 -0.382 12.500 4.869
95 HE ARG 12 HE ARG 12 -0.894 11.551 2.677
96 HH11 ARG 12 1HH1 ARG 12 -3.620 11.733 4.950
97 HH12 ARG 12 2HH1 ARG 12 -4.802 11.730 3.731
98 HH21 ARG 12 1HH2 ARG 12 -2.517 11.611 1.034
99 HH22 ARG 12 2HH2 ARG 12 -4.166 11.672 1.442
100 H ASN 13 H ASN 13 -1.556 6.216 3.932
101 HA ASN 13 HA ASN 13 -3.062 4.781 5.983
102 HB2 ASN 13 2HB ASN 13 -4.602 6.539 5.232
103 HB3 ASN 13 1HB ASN 13 -4.351 6.067 3.558
104 HD21 ASN 13 1HD2 ASN 13 -6.491 5.685 3.211
105 HD22 ASN 13 2HD2 ASN 13 -7.367 4.377 3.895
106 H ASP 14 H ASP 14 -2.027 2.897 5.625
107 HA ASP 14 HA ASP 14 -1.256 1.952 3.026
108 HB2 ASP 14 2HB ASP 14 -0.128 1.330 5.240
109 HB3 ASP 14 1HB ASP 14 -1.536 0.322 5.544
110 H LYS 15 H LYS 15 -2.500 0.912 1.644
111 HA LYS 15 HA LYS 15 -4.901 -0.475 2.626
112 HB2 LYS 15 2HB LYS 15 -4.671 1.254 0.158
113 HB3 LYS 15 1HB LYS 15 -6.064 0.264 0.553
114 HG2 LYS 15 2HG LYS 15 -5.040 2.602 2.170
115 HG3 LYS 15 1HG LYS 15 -6.427 2.638 1.087
116 HD2 LYS 15 2HD LYS 15 -6.180 0.911 3.559
117 HD3 LYS 15 1HD LYS 15 -7.057 2.433 3.454
118 HE2 LYS 15 2HE LYS 15 -7.677 -0.039 1.832
119 HE3 LYS 15 1HE LYS 15 -8.523 0.452 3.289
120 HZ1 LYS 15 3HZ LYS 15 -9.721 1.127 1.309
121 HZ2 LYS 15 1HZ LYS 15 -8.427 2.052 0.767
122 HZ3 LYS 15 2HZ LYS 15 -9.243 2.467 2.174
123 H CYS 16 H CYS 16 -2.103 -1.186 1.758
124 HA CYS 16 HA CYS 16 -2.471 -2.636 -0.705
125 HB2 CYS 16 2HB CYS 16 -0.147 -2.661 1.226
126 HB3 CYS 16 1HB CYS 16 -0.136 -3.253 -0.428
127 H CYS 17 H CYS 17 -2.061 -4.975 -0.807
128 HA CYS 17 HA CYS 17 -3.658 -6.442 0.980
129 HB2 CYS 17 2HB CYS 17 -1.585 -7.479 -0.960
130 HB3 CYS 17 1HB CYS 17 -2.894 -8.415 -0.248
131 H SER 18 H SER 18 -2.883 -8.475 2.124
132 HA SER 18 HA SER 18 -1.003 -7.744 4.085
133 HB2 SER 18 2HB SER 18 -2.319 -10.408 3.510
134 HB3 SER 18 1HB SER 18 -1.480 -9.993 5.005
135 HG SER 18 HG SER 18 -3.465 -8.268 4.117
136 H GLY 19 H GLY 19 1.109 -8.084 4.133
137 HA2 GLY 19 2HA GLY 19 3.128 -9.249 3.673
138 HA3 GLY 19 1HA GLY 19 2.340 -10.009 2.291
139 H LEU 20 H LEU 20 1.376 -6.919 2.266
140 HA LEU 20 HA LEU 20 3.538 -6.035 0.498
141 HB2 LEU 20 2HB LEU 20 1.137 -6.870 -0.311
142 HB3 LEU 20 1HB LEU 20 0.678 -5.262 0.183
143 HG LEU 20 HG LEU 20 2.321 -4.347 -1.442
144 HD11 LEU 20 1HD1 LEU 20 3.825 -6.266 -1.503
145 HD12 LEU 20 2HD1 LEU 20 3.213 -5.919 -3.124
146 HD13 LEU 20 3HD1 LEU 20 2.545 -7.259 -2.186
147 HD21 LEU 20 3HD2 LEU 20 0.290 -6.274 -2.532
148 HD22 LEU 20 1HD2 LEU 20 0.997 -4.914 -3.394
149 HD23 LEU 20 2HD2 LEU 20 -0.041 -4.628 -1.997
150 H LYS 21 H LYS 21 3.782 -3.656 0.611
151 HA LYS 21 HA LYS 21 2.426 -2.391 2.896
152 HB2 LYS 21 2HB LYS 21 4.685 -3.229 3.594
153 HB3 LYS 21 1HB LYS 21 5.367 -2.215 2.333
154 HG2 LYS 21 2HG LYS 21 4.403 -0.227 3.411
155 HG3 LYS 21 1HG LYS 21 3.836 -1.242 4.731
156 HD2 LYS 21 2HD LYS 21 6.141 -1.846 5.258
157 HD3 LYS 21 1HD LYS 21 6.713 -0.858 3.910
158 HE2 LYS 21 2HE LYS 21 5.205 0.139 6.331
159 HE3 LYS 21 1HE LYS 21 6.926 0.344 6.027
160 HZ1 LYS 21 3HZ LYS 21 4.760 1.483 4.312
161 HZ2 LYS 21 1HZ LYS 21 6.413 1.684 4.104
162 HZ3 LYS 21 2HZ LYS 21 5.661 2.336 5.447
163 H CYS 22 H CYS 22 2.084 -0.269 2.620
164 HA CYS 22 HA CYS 22 2.447 0.883 0.014
165 HB2 CYS 22 2HB CYS 22 0.498 1.430 1.478
166 HB3 CYS 22 1HB CYS 22 1.601 2.218 2.602
167 H GLY 23 H GLY 23 4.212 1.907 -0.652
168 HA2 GLY 23 2HA GLY 23 6.490 2.022 1.053
169 HA3 GLY 23 1HA GLY 23 6.409 2.506 -0.630
170 H SER 24 H SER 24 7.777 3.759 1.534
171 HA SER 24 HA SER 24 6.370 6.218 2.056
172 HB2 SER 24 2HB SER 24 8.567 6.527 3.391
173 HB3 SER 24 1HB SER 24 7.395 5.329 3.951
174 HG SER 24 HG SER 24 9.870 4.864 3.462
175 H ASN 25 H ASN 25 9.343 5.033 0.550
176 HA ASN 25 HA ASN 25 9.995 7.631 -0.548
177 HB2 ASN 25 2HB ASN 25 11.277 4.916 -0.947
178 HB3 ASN 25 1HB ASN 25 11.859 6.387 -1.708
179 HD21 ASN 25 1HD2 ASN 25 13.081 4.555 0.249
180 HD22 ASN 25 2HD2 ASN 25 13.558 5.538 1.576
181 H HIS 26 H HIS 26 8.655 4.619 -1.597
182 HA HIS 26 HA HIS 26 7.880 5.889 -4.141
183 HB2 HIS 26 2HB HIS 26 8.216 2.924 -3.550
184 HB3 HIS 26 1HB HIS 26 7.699 3.577 -5.073
185 HD1 HIS 26 1HD HIS 26 9.574 4.631 -6.613
186 HD2 HIS 26 2HD HIS 26 10.856 2.984 -3.044
187 HE1 HIS 26 1HE HIS 26 12.069 4.394 -6.832
188 H ASN 27 H ASN 27 5.834 6.555 -3.788
189 HA ASN 27 HA ASN 27 4.315 5.321 -1.701
190 HB2 ASN 27 2HB ASN 27 3.619 7.662 -3.475
191 HB3 ASN 27 1HB ASN 27 2.613 7.081 -2.155
192 HD21 ASN 27 1HD2 ASN 27 4.921 6.473 -0.410
193 HD22 ASN 27 2HD2 ASN 27 5.535 7.999 0.091
194 H TRP 28 H TRP 28 4.437 3.361 -2.927
195 HA TRP 28 HA TRP 28 1.823 2.838 -3.900
196 HB2 TRP 28 2HB TRP 28 2.626 1.529 -5.895
197 HB3 TRP 28 1HB TRP 28 2.926 3.237 -6.016
198 HD1 TRP 28 HD TRP 28 5.208 0.537 -4.378
199 HE1 TRP 28 1HE TRP 28 7.484 0.658 -5.552
200 HE3 TRP 28 3HE TRP 28 4.114 4.043 -7.847
201 HZ2 TRP 28 2HZ TRP 28 8.645 2.002 -7.594
202 HZ3 TRP 28 3HZ TRP 28 5.888 4.722 -9.443
203 HH2 TRP 28 HH TRP 28 8.122 3.721 -9.328
204 H CYS 29 H CYS 29 1.629 0.471 -4.150
205 HA CYS 29 HA CYS 29 2.434 -0.723 -1.722
206 HB2 CYS 29 2HB CYS 29 0.985 -1.719 -4.125
207 HB3 CYS 29 1HB CYS 29 1.183 -2.714 -2.705
208 H LYS 30 H LYS 30 4.352 -1.365 -1.400
209 HA LYS 30 HA LYS 30 5.924 -2.757 -3.459
210 HB2 LYS 30 2HB LYS 30 6.777 -1.471 -0.858
211 HB3 LYS 30 1HB LYS 30 7.853 -2.192 -2.032
212 HG2 LYS 30 2HG LYS 30 7.303 -0.416 -3.634
213 HG3 LYS 30 1HG LYS 30 6.152 0.251 -2.480
214 HD2 LYS 30 2HD LYS 30 8.016 1.583 -2.158
215 HD3 LYS 30 1HD LYS 30 8.155 0.387 -0.889
216 HE2 LYS 30 2HE LYS 30 9.630 0.286 -3.526
217 HE3 LYS 30 1HE LYS 30 10.299 0.888 -2.026
218 HZ1 LYS 30 3HZ LYS 30 10.039 -1.378 -1.085
219 HZ2 LYS 30 1HZ LYS 30 11.046 -1.317 -2.421
220 HZ3 LYS 30 2HZ LYS 30 9.507 -1.932 -2.595
221 H LEU 31 H LEU 31 7.419 -4.408 -2.215
222 HA LEU 31 HA LEU 31 5.725 -6.252 -0.834
223 HB2 LEU 31 2HB LEU 31 8.714 -6.259 -1.251
224 HB3 LEU 31 1HB LEU 31 7.766 -7.612 -0.674
225 HG LEU 31 HG LEU 31 7.509 -6.378 -3.417
226 HD11 LEU 31 1HD1 LEU 31 8.613 -8.408 -4.205
227 HD12 LEU 31 2HD1 LEU 31 8.870 -8.911 -2.533
228 HD13 LEU 31 3HD1 LEU 31 9.654 -7.458 -3.150
229 HD21 LEU 31 3HD2 LEU 31 6.190 -8.381 -3.924
230 HD22 LEU 31 1HD2 LEU 31 5.439 -7.420 -2.650
231 HD23 LEU 31 2HD2 LEU 31 6.322 -8.892 -2.242
232 H HIS 32 H HIS 32 5.724 -6.762 1.331
233 HA HIS 32 HA HIS 32 6.892 -4.770 3.119
234 HB2 HIS 32 2HB HIS 32 4.485 -5.558 3.343
235 HB3 HIS 32 1HB HIS 32 5.109 -7.138 3.785
236 HD1 HIS 32 1HD HIS 32 6.464 -7.196 6.188
237 HD2 HIS 32 2HD HIS 32 4.226 -3.782 5.375
238 HE1 HIS 32 1HE HIS 32 6.194 -5.994 8.367
239 H LEU 33 H LEU 33 8.891 -5.174 3.837
240 HA LEU 33 HA LEU 33 9.701 -7.965 4.282
241 HB2 LEU 33 2HB LEU 33 11.407 -5.624 3.414
242 HB3 LEU 33 1HB LEU 33 12.089 -7.083 4.077
243 HG LEU 33 HG LEU 33 11.088 -8.331 2.126
244 HD11 LEU 33 1HD1 LEU 33 10.633 -5.566 1.039
245 HD12 LEU 33 2HD1 LEU 33 9.381 -6.725 1.482
246 HD13 LEU 33 3HD1 LEU 33 10.476 -7.078 0.146
247 HD21 LEU 33 3HD2 LEU 33 13.062 -6.150 1.536
248 HD22 LEU 33 1HD2 LEU 33 12.823 -7.605 0.572
249 HD23 LEU 33 2HD2 LEU 33 13.424 -7.732 2.225
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 -12.130 -5.382 -1.739
2 H2 ASP 1 2HT ASP 1 -11.413 -3.889 -2.119
3 H3 ASP 1 3HT ASP 1 -11.135 -4.588 -0.630
4 HA ASP 1 HA ASP 1 -9.936 -6.361 -1.581
5 HB2 ASP 1 2HB ASP 1 -9.360 -6.318 -4.005
6 HB3 ASP 1 1HB ASP 1 -11.085 -6.537 -3.741
7 H CYS 2 H CYS 2 -7.689 -6.153 -1.832
8 HA CYS 2 HA CYS 2 -6.765 -3.598 -0.862
9 HB2 CYS 2 2HB CYS 2 -4.632 -4.890 -0.573
10 HB3 CYS 2 1HB CYS 2 -6.010 -5.479 0.348
11 H LEU 3 H LEU 3 -4.679 -2.743 -1.604
12 HA LEU 3 HA LEU 3 -4.625 -2.531 -4.476
13 HB2 LEU 3 2HB LEU 3 -2.755 -1.354 -2.415
14 HB3 LEU 3 1HB LEU 3 -2.867 -0.913 -4.101
15 HG LEU 3 HG LEU 3 -5.053 -0.500 -2.091
16 HD11 LEU 3 1HD1 LEU 3 -4.410 1.873 -2.216
17 HD12 LEU 3 2HD1 LEU 3 -3.027 1.428 -3.223
18 HD13 LEU 3 3HD1 LEU 3 -3.133 0.852 -1.554
19 HD21 LEU 3 3HD2 LEU 3 -5.852 -0.729 -4.388
20 HD22 LEU 3 1HD2 LEU 3 -4.707 0.502 -4.917
21 HD23 LEU 3 2HD2 LEU 3 -6.029 0.936 -3.829
22 H LYS 4 H LYS 4 -3.093 -3.345 -5.752
23 HA LYS 4 HA LYS 4 -1.605 -5.600 -4.683
24 HB2 LYS 4 2HB LYS 4 -2.197 -4.722 -7.492
25 HB3 LYS 4 1HB LYS 4 -1.235 -6.131 -7.090
26 HG2 LYS 4 2HG LYS 4 -3.144 -7.133 -5.945
27 HG3 LYS 4 1HG LYS 4 -4.115 -5.707 -6.310
28 HD2 LYS 4 2HD LYS 4 -4.580 -7.537 -7.872
29 HD3 LYS 4 1HD LYS 4 -3.883 -6.136 -8.688
30 HE2 LYS 4 2HE LYS 4 -2.932 -8.250 -9.504
31 HE3 LYS 4 1HE LYS 4 -1.714 -7.220 -8.766
32 HZ1 LYS 4 3HZ LYS 4 -1.872 -8.594 -6.752
33 HZ2 LYS 4 1HZ LYS 4 -1.451 -9.501 -8.102
34 HZ3 LYS 4 2HZ LYS 4 -3.010 -9.585 -7.517
35 H PHE 5 H PHE 5 0.469 -5.967 -6.189
36 HA PHE 5 HA PHE 5 2.381 -4.154 -5.180
37 HB2 PHE 5 2HB PHE 5 2.868 -6.540 -5.649
38 HB3 PHE 5 1HB PHE 5 2.724 -6.213 -7.371
39 HD1 PHE 5 1HD PHE 5 4.673 -5.409 -4.357
40 HD2 PHE 5 2HD PHE 5 4.563 -5.377 -8.601
41 HE1 PHE 5 1HE PHE 5 7.044 -4.833 -4.403
42 HE2 PHE 5 2HE PHE 5 6.953 -4.796 -8.659
43 HZ PHE 5 HZ PHE 5 8.201 -4.527 -6.550
44 H GLY 6 H GLY 6 3.095 -2.312 -5.936
45 HA2 GLY 6 2HA GLY 6 3.849 -0.801 -7.546
46 HA3 GLY 6 1HA GLY 6 3.092 -1.788 -8.790
47 H TRP 7 H TRP 7 0.775 -1.541 -6.509
48 HA TRP 7 HA TRP 7 -0.572 0.424 -8.095
49 HB2 TRP 7 2HB TRP 7 -1.469 -1.285 -5.771
50 HB3 TRP 7 1HB TRP 7 -2.501 -0.031 -6.452
51 HD1 TRP 7 HD TRP 7 -0.355 -2.282 -8.717
52 HE1 TRP 7 1HE TRP 7 -1.910 -3.758 -10.144
53 HE3 TRP 7 3HE TRP 7 -4.817 -1.130 -6.506
54 HZ2 TRP 7 2HZ TRP 7 -4.656 -4.358 -10.302
55 HZ3 TRP 7 3HZ TRP 7 -6.855 -2.215 -7.351
56 HH2 TRP 7 HH TRP 7 -6.776 -3.789 -9.206
57 H LYS 8 H LYS 8 -1.340 2.356 -7.363
58 HA LYS 8 HA LYS 8 0.597 3.626 -5.662
59 HB2 LYS 8 2HB LYS 8 -1.726 4.844 -7.134
60 HB3 LYS 8 1HB LYS 8 -0.353 5.696 -6.444
61 HG2 LYS 8 2HG LYS 8 -0.287 3.744 -8.725
62 HG3 LYS 8 1HG LYS 8 -0.094 5.494 -8.844
63 HD2 LYS 8 2HD LYS 8 1.980 5.317 -7.501
64 HD3 LYS 8 1HD LYS 8 1.736 3.573 -7.413
65 HE2 LYS 8 2HE LYS 8 2.103 5.132 -9.956
66 HE3 LYS 8 1HE LYS 8 3.371 4.217 -9.150
67 HZ1 LYS 8 3HZ LYS 8 0.871 3.116 -10.340
68 HZ2 LYS 8 1HZ LYS 8 2.004 2.180 -9.501
69 HZ3 LYS 8 2HZ LYS 8 2.431 2.945 -10.928
70 H CYS 9 H CYS 9 0.315 4.427 -3.718
71 HA CYS 9 HA CYS 9 -2.346 4.356 -2.535
72 HB2 CYS 9 2HB CYS 9 -1.313 3.360 -0.494
73 HB3 CYS 9 1HB CYS 9 -1.281 2.283 -1.888
74 H ASN 10 H ASN 10 -2.125 5.419 -0.268
75 HA ASN 10 HA ASN 10 -0.426 7.787 -0.473
76 HB2 ASN 10 2HB ASN 10 -2.964 7.333 1.160
77 HB3 ASN 10 1HB ASN 10 -1.979 8.789 1.201
78 HD21 ASN 10 1HD2 ASN 10 -4.812 8.418 0.467
79 HD22 ASN 10 2HD2 ASN 10 -4.936 9.052 -1.130
80 HA PRO 11 HA PRO 11 2.004 5.284 2.334
81 HB2 PRO 11 2HB PRO 11 3.722 7.287 3.125
82 HB3 PRO 11 1HB PRO 11 3.868 6.344 1.633
83 HG2 PRO 11 2HG PRO 11 2.601 9.021 2.058
84 HG3 PRO 11 1HG PRO 11 3.730 8.522 0.775
85 HD2 PRO 11 2HD PRO 11 1.159 8.706 0.296
86 HD3 PRO 11 1HD PRO 11 2.060 7.308 -0.338
87 H ARG 12 H ARG 12 0.062 7.794 3.384
88 HA ARG 12 HA ARG 12 0.822 7.709 6.181
89 HB2 ARG 12 2HB ARG 12 -1.563 8.924 4.827
90 HB3 ARG 12 1HB ARG 12 -1.146 9.139 6.512
91 HG2 ARG 12 2HG ARG 12 0.521 10.006 4.151
92 HG3 ARG 12 1HG ARG 12 -0.501 11.071 5.116
93 HD2 ARG 12 2HD ARG 12 0.902 10.673 7.063
94 HD3 ARG 12 1HD ARG 12 1.876 9.514 6.154
95 HE ARG 12 HE ARG 12 1.932 11.836 4.706
96 HH11 ARG 12 1HH1 ARG 12 2.997 10.874 7.926
97 HH12 ARG 12 2HH1 ARG 12 4.253 12.013 8.020
98 HH21 ARG 12 1HH2 ARG 12 3.703 13.332 4.783
99 HH22 ARG 12 2HH2 ARG 12 4.665 13.466 6.168
100 H ASN 13 H ASN 13 -1.535 6.233 4.085
101 HA ASN 13 HA ASN 13 -2.363 4.537 6.281
102 HB2 ASN 13 2HB ASN 13 -4.722 4.589 5.621
103 HB3 ASN 13 1HB ASN 13 -4.184 6.217 5.988
104 HD21 ASN 13 1HD2 ASN 13 -4.135 7.738 4.309
105 HD22 ASN 13 2HD2 ASN 13 -4.894 7.442 2.790
106 H ASP 14 H ASP 14 -2.148 2.537 5.787
107 HA ASP 14 HA ASP 14 -1.293 1.790 3.120
108 HB2 ASP 14 2HB ASP 14 -0.259 0.908 5.254
109 HB3 ASP 14 1HB ASP 14 -1.725 -0.031 5.481
110 H LYS 15 H LYS 15 -2.515 0.852 1.634
111 HA LYS 15 HA LYS 15 -5.032 -0.433 2.432
112 HB2 LYS 15 2HB LYS 15 -4.590 1.417 0.083
113 HB3 LYS 15 1HB LYS 15 -6.011 0.408 0.256
114 HG2 LYS 15 2HG LYS 15 -5.162 2.618 2.132
115 HG3 LYS 15 1HG LYS 15 -6.440 2.726 0.922
116 HD2 LYS 15 2HD LYS 15 -6.402 0.846 3.288
117 HD3 LYS 15 1HD LYS 15 -7.318 2.346 3.193
118 HE2 LYS 15 2HE LYS 15 -8.608 1.446 1.307
119 HE3 LYS 15 1HE LYS 15 -7.667 -0.043 1.376
120 HZ1 LYS 15 3HZ LYS 15 -9.461 0.969 3.511
121 HZ2 LYS 15 1HZ LYS 15 -8.534 -0.433 3.600
122 HZ3 LYS 15 2HZ LYS 15 -9.777 -0.321 2.476
123 H CYS 16 H CYS 16 -2.214 -1.192 1.653
124 HA CYS 16 HA CYS 16 -2.512 -2.599 -0.843
125 HB2 CYS 16 2HB CYS 16 -0.274 -2.718 1.194
126 HB3 CYS 16 1HB CYS 16 -0.188 -3.212 -0.491
127 H CYS 17 H CYS 17 -1.924 -5.020 -0.801
128 HA CYS 17 HA CYS 17 -3.656 -6.401 0.949
129 HB2 CYS 17 2HB CYS 17 -1.437 -7.519 -0.764
130 HB3 CYS 17 1HB CYS 17 -2.815 -8.403 -0.109
131 H SER 18 H SER 18 -3.002 -8.159 2.444
132 HA SER 18 HA SER 18 -1.053 -7.315 4.290
133 HB2 SER 18 2HB SER 18 -3.077 -8.693 4.876
134 HB3 SER 18 1HB SER 18 -2.331 -10.064 4.060
135 HG SER 18 HG SER 18 -1.117 -10.393 5.735
136 H GLY 19 H GLY 19 1.081 -7.712 4.329
137 HA2 GLY 19 2HA GLY 19 3.028 -9.060 3.961
138 HA3 GLY 19 1HA GLY 19 2.187 -9.845 2.622
139 H LEU 20 H LEU 20 1.214 -6.951 2.143
140 HA LEU 20 HA LEU 20 3.483 -6.086 0.524
141 HB2 LEU 20 2HB LEU 20 1.172 -6.919 -0.438
142 HB3 LEU 20 1HB LEU 20 0.604 -5.362 0.112
143 HG LEU 20 HG LEU 20 2.349 -4.308 -1.344
144 HD11 LEU 20 1HD1 LEU 20 3.243 -5.748 -3.124
145 HD12 LEU 20 2HD1 LEU 20 2.593 -7.155 -2.263
146 HD13 LEU 20 3HD1 LEU 20 3.846 -6.166 -1.518
147 HD21 LEU 20 3HD2 LEU 20 0.327 -6.093 -2.667
148 HD22 LEU 20 1HD2 LEU 20 1.128 -4.710 -3.398
149 HD23 LEU 20 2HD2 LEU 20 0.021 -4.474 -2.042
150 H LYS 21 H LYS 21 3.816 -3.753 0.669
151 HA LYS 21 HA LYS 21 2.287 -2.451 2.785
152 HB2 LYS 21 2HB LYS 21 4.232 -3.485 3.801
153 HB3 LYS 21 1HB LYS 21 5.280 -2.602 2.680
154 HG2 LYS 21 2HG LYS 21 4.509 -0.506 3.692
155 HG3 LYS 21 1HG LYS 21 3.510 -1.445 4.808
156 HD2 LYS 21 2HD LYS 21 5.538 -2.560 5.646
157 HD3 LYS 21 1HD LYS 21 6.512 -1.542 4.584
158 HE2 LYS 21 2HE LYS 21 6.485 -0.638 6.840
159 HE3 LYS 21 1HE LYS 21 5.663 0.442 5.721
160 HZ1 LYS 21 3HZ LYS 21 3.540 -0.430 6.501
161 HZ2 LYS 21 1HZ LYS 21 4.438 0.188 7.780
162 HZ3 LYS 21 2HZ LYS 21 4.322 -1.468 7.557
163 H CYS 22 H CYS 22 2.006 -0.431 2.502
164 HA CYS 22 HA CYS 22 2.735 0.881 0.043
165 HB2 CYS 22 2HB CYS 22 0.541 1.243 1.188
166 HB3 CYS 22 1HB CYS 22 1.391 1.972 2.540
167 H GLY 23 H GLY 23 4.682 1.745 -0.205
168 HA2 GLY 23 2HA GLY 23 6.467 2.053 2.014
169 HA3 GLY 23 1HA GLY 23 6.849 2.488 0.364
170 H SER 24 H SER 24 7.269 3.830 2.921
171 HA SER 24 HA SER 24 5.554 6.137 2.844
172 HB2 SER 24 2HB SER 24 7.086 6.899 4.739
173 HB3 SER 24 1HB SER 24 6.128 5.446 5.024
174 HG SER 24 HG SER 24 7.865 4.308 5.132
175 H ASN 25 H ASN 25 8.775 5.272 1.848
176 HA ASN 25 HA ASN 25 9.440 8.001 1.081
177 HB2 ASN 25 2HB ASN 25 11.207 6.397 1.870
178 HB3 ASN 25 1HB ASN 25 10.903 5.413 0.448
179 HD21 ASN 25 1HD2 ASN 25 12.222 8.406 1.622
180 HD22 ASN 25 2HD2 ASN 25 13.146 8.792 0.227
181 H HIS 26 H HIS 26 7.768 5.418 -0.106
182 HA HIS 26 HA HIS 26 7.992 6.240 -2.916
183 HB2 HIS 26 2HB HIS 26 6.922 3.677 -1.704
184 HB3 HIS 26 1HB HIS 26 6.971 4.023 -3.415
185 HD1 HIS 26 1HD HIS 26 9.456 4.055 -4.511
186 HD2 HIS 26 2HD HIS 26 9.117 2.627 -0.637
187 HE1 HIS 26 1HE HIS 26 11.544 2.709 -4.087
188 H ASN 27 H ASN 27 5.653 5.461 -3.913
189 HA ASN 27 HA ASN 27 3.503 6.358 -2.140
190 HB2 ASN 27 2HB ASN 27 4.037 7.434 -4.923
191 HB3 ASN 27 1HB ASN 27 2.497 7.606 -4.086
192 HD21 ASN 27 1HD2 ASN 27 2.351 8.954 -2.344
193 HD22 ASN 27 2HD2 ASN 27 3.574 10.107 -1.951
194 H TRP 28 H TRP 28 4.412 3.795 -3.044
195 HA TRP 28 HA TRP 28 1.982 2.841 -4.257
196 HB2 TRP 28 2HB TRP 28 3.249 1.366 -5.853
197 HB3 TRP 28 1HB TRP 28 3.339 3.077 -6.233
198 HD1 TRP 28 HD TRP 28 5.633 1.635 -3.559
199 HE1 TRP 28 1HE TRP 28 8.033 1.681 -4.395
200 HE3 TRP 28 3HE TRP 28 4.805 2.957 -8.419
201 HZ2 TRP 28 2HZ TRP 28 9.408 2.124 -6.699
202 HZ3 TRP 28 3HZ TRP 28 6.765 3.159 -9.901
203 HH2 TRP 28 HH TRP 28 9.028 2.751 -9.061
204 H CYS 29 H CYS 29 1.918 0.496 -4.235
205 HA CYS 29 HA CYS 29 2.626 -0.567 -1.656
206 HB2 CYS 29 2HB CYS 29 1.109 -1.553 -4.024
207 HB3 CYS 29 1HB CYS 29 1.277 -2.560 -2.622
208 H LYS 30 H LYS 30 4.523 -1.598 -1.292
209 HA LYS 30 HA LYS 30 5.680 -3.242 -3.439
210 HB2 LYS 30 2HB LYS 30 7.118 -1.555 -1.395
211 HB3 LYS 30 1HB LYS 30 7.916 -2.847 -2.277
212 HG2 LYS 30 2HG LYS 30 7.369 -1.742 -4.377
213 HG3 LYS 30 1HG LYS 30 6.577 -0.453 -3.476
214 HD2 LYS 30 2HD LYS 30 8.823 0.213 -4.188
215 HD3 LYS 30 1HD LYS 30 8.719 0.142 -2.430
216 HE2 LYS 30 2HE LYS 30 10.795 -0.723 -3.390
217 HE3 LYS 30 1HE LYS 30 9.945 -1.948 -2.431
218 HZ1 LYS 30 3HZ LYS 30 9.178 -2.919 -4.535
219 HZ2 LYS 30 1HZ LYS 30 10.844 -2.835 -4.505
220 HZ3 LYS 30 2HZ LYS 30 9.976 -1.732 -5.412
221 H LEU 31 H LEU 31 7.303 -4.885 -2.417
222 HA LEU 31 HA LEU 31 5.730 -6.598 -0.758
223 HB2 LEU 31 2HB LEU 31 8.582 -6.794 -1.715
224 HB3 LEU 31 1HB LEU 31 7.725 -8.064 -0.872
225 HG LEU 31 HG LEU 31 6.888 -6.964 -3.556
226 HD11 LEU 31 1HD1 LEU 31 9.058 -8.049 -3.722
227 HD12 LEU 31 2HD1 LEU 31 7.805 -9.037 -4.471
228 HD13 LEU 31 3HD1 LEU 31 8.433 -9.466 -2.878
229 HD21 LEU 31 3HD2 LEU 31 6.036 -9.384 -1.973
230 HD22 LEU 31 1HD2 LEU 31 5.539 -9.017 -3.624
231 HD23 LEU 31 2HD2 LEU 31 5.064 -7.948 -2.308
232 H HIS 32 H HIS 32 5.893 -6.955 1.392
233 HA HIS 32 HA HIS 32 7.912 -5.404 2.814
234 HB2 HIS 32 2HB HIS 32 5.588 -4.944 3.469
235 HB3 HIS 32 1HB HIS 32 5.335 -6.650 3.816
236 HD1 HIS 32 1HD HIS 32 5.661 -7.271 6.219
237 HD2 HIS 32 2HD HIS 32 7.714 -3.818 5.199
238 HE1 HIS 32 1HE HIS 32 6.705 -6.423 8.350
239 H LEU 33 H LEU 33 9.617 -6.498 3.470
240 HA LEU 33 HA LEU 33 9.567 -9.356 3.494
241 HB2 LEU 33 2HB LEU 33 11.549 -8.124 2.694
242 HB3 LEU 33 1HB LEU 33 11.751 -7.413 4.278
243 HG LEU 33 HG LEU 33 12.187 -9.672 5.205
244 HD11 LEU 33 1HD1 LEU 33 12.086 -10.532 2.323
245 HD12 LEU 33 2HD1 LEU 33 10.982 -11.025 3.610
246 HD13 LEU 33 3HD1 LEU 33 12.676 -11.507 3.664
247 HD21 LEU 33 3HD2 LEU 33 14.425 -9.917 4.241
248 HD22 LEU 33 1HD2 LEU 33 14.038 -8.226 4.562
249 HD23 LEU 33 2HD2 LEU 33 13.968 -8.850 2.913
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 -12.203 -4.819 -2.222
2 H2 ASP 1 2HT ASP 1 -11.222 -3.481 -2.635
3 H3 ASP 1 3HT ASP 1 -11.351 -3.956 -1.043
4 HA ASP 1 HA ASP 1 -10.210 -5.956 -1.433
5 HB2 ASP 1 2HB ASP 1 -10.988 -6.272 -3.809
6 HB3 ASP 1 1HB ASP 1 -9.942 -4.937 -4.278
7 H CYS 2 H CYS 2 -7.825 -5.941 -1.741
8 HA CYS 2 HA CYS 2 -6.853 -3.419 -0.667
9 HB2 CYS 2 2HB CYS 2 -4.808 -4.807 -0.207
10 HB3 CYS 2 1HB CYS 2 -6.279 -5.348 0.599
11 H LEU 3 H LEU 3 -4.752 -2.592 -1.396
12 HA LEU 3 HA LEU 3 -4.676 -2.398 -4.256
13 HB2 LEU 3 2HB LEU 3 -2.732 -1.277 -2.232
14 HB3 LEU 3 1HB LEU 3 -2.904 -0.799 -3.903
15 HG LEU 3 HG LEU 3 -4.982 -0.425 -1.785
16 HD11 LEU 3 1HD1 LEU 3 -3.082 1.552 -3.052
17 HD12 LEU 3 2HD1 LEU 3 -3.037 0.986 -1.382
18 HD13 LEU 3 3HD1 LEU 3 -4.390 1.968 -1.946
19 HD21 LEU 3 3HD2 LEU 3 -6.107 0.987 -3.436
20 HD22 LEU 3 1HD2 LEU 3 -5.916 -0.665 -4.030
21 HD23 LEU 3 2HD2 LEU 3 -4.844 0.611 -4.609
22 H LYS 4 H LYS 4 -3.158 -3.207 -5.577
23 HA LYS 4 HA LYS 4 -1.684 -5.508 -4.570
24 HB2 LYS 4 2HB LYS 4 -2.298 -4.568 -7.357
25 HB3 LYS 4 1HB LYS 4 -1.279 -5.953 -7.015
26 HG2 LYS 4 2HG LYS 4 -3.152 -7.042 -5.896
27 HG3 LYS 4 1HG LYS 4 -4.170 -5.643 -6.257
28 HD2 LYS 4 2HD LYS 4 -3.924 -6.007 -8.617
29 HD3 LYS 4 1HD LYS 4 -2.760 -7.302 -8.340
30 HE2 LYS 4 2HE LYS 4 -4.962 -8.204 -8.878
31 HE3 LYS 4 1HE LYS 4 -4.491 -8.619 -7.235
32 HZ1 LYS 4 3HZ LYS 4 -5.886 -6.812 -6.430
33 HZ2 LYS 4 1HZ LYS 4 -6.762 -7.929 -7.331
34 HZ3 LYS 4 2HZ LYS 4 -6.361 -6.446 -8.009
35 H PHE 5 H PHE 5 0.421 -5.905 -5.881
36 HA PHE 5 HA PHE 5 2.305 -4.051 -4.959
37 HB2 PHE 5 2HB PHE 5 2.757 -6.446 -5.242
38 HB3 PHE 5 1HB PHE 5 2.576 -6.281 -6.981
39 HD1 PHE 5 1HD PHE 5 4.589 -5.018 -4.131
40 HD2 PHE 5 2HD PHE 5 4.445 -5.906 -8.276
41 HE1 PHE 5 1HE PHE 5 6.997 -4.587 -4.299
42 HE2 PHE 5 2HE PHE 5 6.837 -5.475 -8.458
43 HZ PHE 5 HZ PHE 5 8.134 -4.808 -6.471
44 H GLY 6 H GLY 6 3.034 -2.276 -5.832
45 HA2 GLY 6 2HA GLY 6 3.777 -0.874 -7.548
46 HA3 GLY 6 1HA GLY 6 2.944 -1.893 -8.716
47 H TRP 7 H TRP 7 0.703 -1.443 -6.370
48 HA TRP 7 HA TRP 7 -0.581 0.546 -7.992
49 HB2 TRP 7 2HB TRP 7 -1.500 -1.066 -5.620
50 HB3 TRP 7 1HB TRP 7 -2.476 0.246 -6.267
51 HD1 TRP 7 HD TRP 7 -0.578 -2.196 -8.557
52 HE1 TRP 7 1HE TRP 7 -2.334 -3.589 -9.899
53 HE3 TRP 7 3HE TRP 7 -4.840 -0.603 -6.249
54 HZ2 TRP 7 2HZ TRP 7 -5.123 -3.929 -9.946
55 HZ3 TRP 7 3HZ TRP 7 -7.001 -1.501 -6.993
56 HH2 TRP 7 HH TRP 7 -7.136 -3.129 -8.803
57 H LYS 8 H LYS 8 -1.201 2.578 -7.331
58 HA LYS 8 HA LYS 8 0.577 3.994 -5.673
59 HB2 LYS 8 2HB LYS 8 -0.660 4.994 -7.561
60 HB3 LYS 8 1HB LYS 8 -2.162 4.779 -6.672
61 HG2 LYS 8 2HG LYS 8 -1.480 7.083 -6.555
62 HG3 LYS 8 1HG LYS 8 -1.329 6.351 -4.958
63 HD2 LYS 8 2HD LYS 8 1.086 6.064 -5.333
64 HD3 LYS 8 1HD LYS 8 0.923 6.819 -6.919
65 HE2 LYS 8 2HE LYS 8 0.289 8.117 -4.273
66 HE3 LYS 8 1HE LYS 8 1.753 8.385 -5.211
67 HZ1 LYS 8 3HZ LYS 8 0.416 9.321 -6.981
68 HZ2 LYS 8 1HZ LYS 8 0.118 10.143 -5.540
69 HZ3 LYS 8 2HZ LYS 8 -0.999 9.027 -6.133
70 H CYS 9 H CYS 9 0.503 4.427 -3.573
71 HA CYS 9 HA CYS 9 -1.702 3.265 -1.992
72 HB2 CYS 9 2HB CYS 9 -0.153 3.073 -0.221
73 HB3 CYS 9 1HB CYS 9 0.723 2.575 -1.672
74 H ASN 10 H ASN 10 -2.005 4.512 0.166
75 HA ASN 10 HA ASN 10 -1.561 7.365 -0.162
76 HB2 ASN 10 2HB ASN 10 -3.691 5.910 1.455
77 HB3 ASN 10 1HB ASN 10 -3.345 7.623 1.645
78 HD21 ASN 10 1HD2 ASN 10 -5.790 6.398 0.875
79 HD22 ASN 10 2HD2 ASN 10 -6.213 7.014 -0.676
80 HA PRO 11 HA PRO 11 1.768 6.193 2.507
81 HB2 PRO 11 2HB PRO 11 2.333 8.789 3.373
82 HB3 PRO 11 1HB PRO 11 3.010 7.984 1.956
83 HG2 PRO 11 2HG PRO 11 0.726 9.889 2.144
84 HG3 PRO 11 1HG PRO 11 1.967 9.746 0.887
85 HD2 PRO 11 2HD PRO 11 -0.498 8.864 0.504
86 HD3 PRO 11 1HD PRO 11 0.891 7.954 -0.130
87 H ARG 12 H ARG 12 -0.839 8.187 3.809
88 HA ARG 12 HA ARG 12 0.057 7.639 6.514
89 HB2 ARG 12 2HB ARG 12 -2.309 9.166 5.512
90 HB3 ARG 12 1HB ARG 12 -1.901 8.946 7.199
91 HG2 ARG 12 2HG ARG 12 0.314 10.048 6.674
92 HG3 ARG 12 1HG ARG 12 -0.357 10.442 5.091
93 HD2 ARG 12 2HD ARG 12 -1.451 11.271 7.765
94 HD3 ARG 12 1HD ARG 12 -0.634 12.311 6.600
95 HE ARG 12 HE ARG 12 -2.561 11.673 5.078
96 HH11 ARG 12 1HH1 ARG 12 -2.925 11.968 8.606
97 HH12 ARG 12 2HH1 ARG 12 -4.562 12.401 8.529
98 HH21 ARG 12 1HH2 ARG 12 -4.800 12.310 5.007
99 HH22 ARG 12 2HH2 ARG 12 -5.646 12.634 6.453
100 H ASN 13 H ASN 13 -2.334 6.518 4.321
101 HA ASN 13 HA ASN 13 -3.115 4.557 6.348
102 HB2 ASN 13 2HB ASN 13 -4.943 6.271 6.129
103 HB3 ASN 13 1HB ASN 13 -5.100 5.833 4.435
104 HD21 ASN 13 1HD2 ASN 13 -7.083 5.687 6.513
105 HD22 ASN 13 2HD2 ASN 13 -7.572 4.034 6.638
106 H ASP 14 H ASP 14 -1.877 3.078 5.526
107 HA ASP 14 HA ASP 14 -1.546 2.503 2.766
108 HB2 ASP 14 2HB ASP 14 0.107 1.981 4.553
109 HB3 ASP 14 1HB ASP 14 -0.981 0.745 5.158
110 H LYS 15 H LYS 15 -2.652 1.143 1.481
111 HA LYS 15 HA LYS 15 -4.748 -0.519 2.702
112 HB2 LYS 15 2HB LYS 15 -4.969 1.136 0.188
113 HB3 LYS 15 1HB LYS 15 -6.157 -0.058 0.672
114 HG2 LYS 15 2HG LYS 15 -5.427 2.461 2.160
115 HG3 LYS 15 1HG LYS 15 -6.894 2.200 1.216
116 HD2 LYS 15 2HD LYS 15 -6.096 0.745 3.753
117 HD3 LYS 15 1HD LYS 15 -7.339 1.981 3.609
118 HE2 LYS 15 2HE LYS 15 -8.641 0.541 2.144
119 HE3 LYS 15 1HE LYS 15 -7.375 -0.682 2.202
120 HZ1 LYS 15 3HZ LYS 15 -9.026 0.246 4.478
121 HZ2 LYS 15 1HZ LYS 15 -7.762 -0.857 4.601
122 HZ3 LYS 15 2HZ LYS 15 -9.138 -1.251 3.710
123 H CYS 16 H CYS 16 -1.959 -1.006 1.660
124 HA CYS 16 HA CYS 16 -2.334 -2.507 -0.732
125 HB2 CYS 16 2HB CYS 16 -0.011 -2.554 1.204
126 HB3 CYS 16 1HB CYS 16 0.012 -3.073 -0.472
127 H CYS 17 H CYS 17 -1.973 -4.828 -0.839
128 HA CYS 17 HA CYS 17 -3.642 -6.272 0.870
129 HB2 CYS 17 2HB CYS 17 -1.588 -7.253 -1.094
130 HB3 CYS 17 1HB CYS 17 -2.809 -8.266 -0.327
131 H SER 18 H SER 18 -2.918 -8.497 1.828
132 HA SER 18 HA SER 18 -1.352 -7.968 4.083
133 HB2 SER 18 2HB SER 18 -2.238 -10.611 2.926
134 HB3 SER 18 1HB SER 18 -1.873 -10.254 4.620
135 HG SER 18 HG SER 18 -4.024 -10.094 4.502
136 H GLY 19 H GLY 19 0.834 -8.053 4.252
137 HA2 GLY 19 2HA GLY 19 2.980 -8.914 3.922
138 HA3 GLY 19 1HA GLY 19 2.356 -9.900 2.601
139 H LEU 20 H LEU 20 1.268 -6.732 2.454
140 HA LEU 20 HA LEU 20 3.375 -5.913 0.618
141 HB2 LEU 20 2HB LEU 20 1.104 -6.901 -0.271
142 HB3 LEU 20 1HB LEU 20 0.477 -5.340 0.201
143 HG LEU 20 HG LEU 20 2.210 -4.309 -1.291
144 HD11 LEU 20 1HD1 LEU 20 3.152 -5.818 -3.002
145 HD12 LEU 20 2HD1 LEU 20 2.473 -7.188 -2.094
146 HD13 LEU 20 3HD1 LEU 20 3.703 -6.171 -1.360
147 HD21 LEU 20 3HD2 LEU 20 -0.126 -4.544 -1.955
148 HD22 LEU 20 1HD2 LEU 20 0.208 -6.178 -2.529
149 HD23 LEU 20 2HD2 LEU 20 0.970 -4.798 -3.314
150 H LYS 21 H LYS 21 3.807 -3.713 0.840
151 HA LYS 21 HA LYS 21 2.055 -2.004 2.394
152 HB2 LYS 21 2HB LYS 21 3.457 -3.088 4.100
153 HB3 LYS 21 1HB LYS 21 4.896 -2.583 3.221
154 HG2 LYS 21 2HG LYS 21 4.348 -0.242 3.660
155 HG3 LYS 21 1HG LYS 21 2.908 -0.744 4.548
156 HD2 LYS 21 2HD LYS 21 4.294 -1.907 6.176
157 HD3 LYS 21 1HD LYS 21 5.743 -1.497 5.260
158 HE2 LYS 21 2HE LYS 21 5.515 -0.022 7.164
159 HE3 LYS 21 1HE LYS 21 5.312 0.886 5.673
160 HZ1 LYS 21 3HZ LYS 21 3.076 -0.104 7.350
161 HZ2 LYS 21 1HZ LYS 21 2.940 0.903 6.016
162 HZ3 LYS 21 2HZ LYS 21 3.678 1.449 7.443
163 H CYS 22 H CYS 22 2.398 0.092 1.910
164 HA CYS 22 HA CYS 22 3.683 0.680 -0.548
165 HB2 CYS 22 2HB CYS 22 1.732 1.939 0.272
166 HB3 CYS 22 1HB CYS 22 2.709 2.589 1.583
167 H GLY 23 H GLY 23 5.499 1.815 -0.989
168 HA2 GLY 23 2HA GLY 23 7.685 1.281 0.762
169 HA3 GLY 23 1HA GLY 23 7.759 2.120 -0.779
170 H SER 24 H SER 24 9.363 3.021 1.048
171 HA SER 24 HA SER 24 8.131 5.292 2.365
172 HB2 SER 24 2HB SER 24 10.530 5.411 3.291
173 HB3 SER 24 1HB SER 24 9.516 4.052 3.796
174 HG SER 24 HG SER 24 11.789 3.683 2.965
175 H ASN 25 H ASN 25 10.342 4.352 -0.156
176 HA ASN 25 HA ASN 25 10.797 7.169 -0.833
177 HB2 ASN 25 2HB ASN 25 12.297 4.694 -1.714
178 HB3 ASN 25 1HB ASN 25 12.649 6.324 -2.262
179 HD21 ASN 25 1HD2 ASN 25 12.194 7.548 0.360
180 HD22 ASN 25 2HD2 ASN 25 13.523 7.080 1.343
181 H HIS 26 H HIS 26 8.774 4.771 -1.505
182 HA HIS 26 HA HIS 26 8.222 5.812 -4.173
183 HB2 HIS 26 2HB HIS 26 8.158 2.877 -3.396
184 HB3 HIS 26 1HB HIS 26 7.472 3.496 -4.872
185 HD1 HIS 26 1HD HIS 26 9.210 4.346 -6.729
186 HD2 HIS 26 2HD HIS 26 10.802 2.507 -3.379
187 HE1 HIS 26 1HE HIS 26 11.574 3.787 -7.325
188 H ASN 27 H ASN 27 6.058 5.928 -4.623
189 HA ASN 27 HA ASN 27 4.381 5.899 -2.222
190 HB2 ASN 27 2HB ASN 27 3.928 7.199 -4.911
191 HB3 ASN 27 1HB ASN 27 2.832 7.299 -3.546
192 HD21 ASN 27 1HD2 ASN 27 5.078 7.606 -1.594
193 HD22 ASN 27 2HD2 ASN 27 5.634 9.208 -1.818
194 H TRP 28 H TRP 28 5.056 3.516 -3.743
195 HA TRP 28 HA TRP 28 2.325 2.749 -4.366
196 HB2 TRP 28 2HB TRP 28 3.082 1.232 -6.168
197 HB3 TRP 28 1HB TRP 28 3.513 2.881 -6.463
198 HD1 TRP 28 HD TRP 28 5.511 0.118 -4.558
199 HE1 TRP 28 1HE TRP 28 7.825 -0.066 -5.668
200 HE3 TRP 28 3HE TRP 28 4.869 3.502 -8.220
201 HZ2 TRP 28 2HZ TRP 28 9.184 1.055 -7.770
202 HZ3 TRP 28 3HZ TRP 28 6.756 3.924 -9.807
203 HH2 TRP 28 HH TRP 28 8.866 2.715 -9.578
204 H CYS 29 H CYS 29 1.930 0.544 -4.196
205 HA CYS 29 HA CYS 29 2.708 -0.562 -1.702
206 HB2 CYS 29 2HB CYS 29 1.170 -1.642 -4.028
207 HB3 CYS 29 1HB CYS 29 1.326 -2.544 -2.544
208 H LYS 30 H LYS 30 4.553 -1.574 -1.270
209 HA LYS 30 HA LYS 30 5.912 -3.088 -3.382
210 HB2 LYS 30 2HB LYS 30 7.041 -1.771 -0.902
211 HB3 LYS 30 1HB LYS 30 7.965 -2.734 -2.040
212 HG2 LYS 30 2HG LYS 30 7.543 -1.071 -3.790
213 HG3 LYS 30 1HG LYS 30 6.572 -0.139 -2.659
214 HD2 LYS 30 2HD LYS 30 8.678 0.926 -2.732
215 HD3 LYS 30 1HD LYS 30 8.643 0.039 -1.217
216 HE2 LYS 30 2HE LYS 30 10.001 -0.913 -3.745
217 HE3 LYS 30 1HE LYS 30 10.807 -0.061 -2.443
218 HZ1 LYS 30 3HZ LYS 30 9.637 -2.801 -2.352
219 HZ2 LYS 30 1HZ LYS 30 10.162 -1.972 -0.971
220 HZ3 LYS 30 2HZ LYS 30 11.233 -2.340 -2.179
221 H LEU 31 H LEU 31 7.318 -4.878 -2.280
222 HA LEU 31 HA LEU 31 5.539 -6.604 -0.855
223 HB2 LEU 31 2HB LEU 31 8.491 -6.901 -1.395
224 HB3 LEU 31 1HB LEU 31 7.408 -8.168 -0.864
225 HG LEU 31 HG LEU 31 7.304 -6.777 -3.543
226 HD11 LEU 31 1HD1 LEU 31 8.038 -8.911 -4.427
227 HD12 LEU 31 2HD1 LEU 31 8.141 -9.559 -2.790
228 HD13 LEU 31 3HD1 LEU 31 9.222 -8.259 -3.292
229 HD21 LEU 31 3HD2 LEU 31 5.089 -7.479 -2.767
230 HD22 LEU 31 1HD2 LEU 31 5.710 -9.106 -2.489
231 HD23 LEU 31 2HD2 LEU 31 5.642 -8.455 -4.129
232 H HIS 32 H HIS 32 5.309 -6.797 1.277
233 HA HIS 32 HA HIS 32 7.045 -5.190 2.936
234 HB2 HIS 32 2HB HIS 32 4.558 -5.190 3.314
235 HB3 HIS 32 1HB HIS 32 4.681 -6.881 3.795
236 HD1 HIS 32 1HD HIS 32 4.558 -7.035 6.321
237 HD2 HIS 32 2HD HIS 32 6.593 -3.652 5.029
238 HE1 HIS 32 1HE HIS 32 5.284 -5.823 8.393
239 H LEU 33 H LEU 33 8.871 -6.126 2.940
240 HA LEU 33 HA LEU 33 9.270 -8.519 4.468
241 HB2 LEU 33 2HB LEU 33 8.991 -9.347 2.135
242 HB3 LEU 33 1HB LEU 33 10.254 -8.256 1.611
243 HG LEU 33 HG LEU 33 11.875 -9.504 3.011
244 HD11 LEU 33 1HD1 LEU 33 11.248 -11.701 3.892
245 HD12 LEU 33 2HD1 LEU 33 9.565 -11.389 3.464
246 HD13 LEU 33 3HD1 LEU 33 10.365 -10.397 4.684
247 HD21 LEU 33 3HD2 LEU 33 11.989 -11.480 1.565
248 HD22 LEU 33 1HD2 LEU 33 11.635 -10.019 0.643
249 HD23 LEU 33 2HD2 LEU 33 10.346 -11.165 1.008
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 -11.139 -2.999 -2.983
2 H2 ASP 1 2HT ASP 1 -11.414 -3.436 -1.398
3 H3 ASP 1 3HT ASP 1 -12.241 -4.234 -2.627
4 HA ASP 1 HA ASP 1 -10.448 -5.571 -1.756
5 HB2 ASP 1 2HB ASP 1 -10.059 -4.494 -4.552
6 HB3 ASP 1 1HB ASP 1 -9.041 -5.771 -3.905
7 H CYS 2 H CYS 2 -7.974 -5.819 -2.018
8 HA CYS 2 HA CYS 2 -6.801 -3.478 -0.796
9 HB2 CYS 2 2HB CYS 2 -4.896 -4.984 -0.363
10 HB3 CYS 2 1HB CYS 2 -6.410 -5.597 0.288
11 H LEU 3 H LEU 3 -4.837 -2.604 -1.513
12 HA LEU 3 HA LEU 3 -4.624 -2.467 -4.380
13 HB2 LEU 3 2HB LEU 3 -2.869 -1.206 -2.266
14 HB3 LEU 3 1HB LEU 3 -2.951 -0.779 -3.958
15 HG LEU 3 HG LEU 3 -5.203 -0.459 -2.010
16 HD11 LEU 3 1HD1 LEU 3 -4.694 1.942 -2.150
17 HD12 LEU 3 2HD1 LEU 3 -3.279 1.561 -3.138
18 HD13 LEU 3 3HD1 LEU 3 -3.363 1.006 -1.462
19 HD21 LEU 3 3HD2 LEU 3 -5.931 -0.770 -4.320
20 HD22 LEU 3 1HD2 LEU 3 -4.860 0.527 -4.838
21 HD23 LEU 3 2HD2 LEU 3 -6.234 0.886 -3.786
22 H LYS 4 H LYS 4 -3.085 -3.341 -5.569
23 HA LYS 4 HA LYS 4 -1.572 -5.487 -4.300
24 HB2 LYS 4 2HB LYS 4 -2.194 -4.971 -7.192
25 HB3 LYS 4 1HB LYS 4 -1.257 -6.327 -6.594
26 HG2 LYS 4 2HG LYS 4 -3.195 -7.123 -5.314
27 HG3 LYS 4 1HG LYS 4 -4.144 -5.765 -5.920
28 HD2 LYS 4 2HD LYS 4 -4.632 -7.774 -7.198
29 HD3 LYS 4 1HD LYS 4 -3.819 -6.581 -8.212
30 HE2 LYS 4 2HE LYS 4 -1.684 -7.785 -7.865
31 HE3 LYS 4 1HE LYS 4 -2.544 -8.992 -6.910
32 HZ1 LYS 4 3HZ LYS 4 -3.079 -8.337 -9.737
33 HZ2 LYS 4 1HZ LYS 4 -3.831 -9.560 -8.851
34 HZ3 LYS 4 2HZ LYS 4 -2.173 -9.662 -9.221
35 H PHE 5 H PHE 5 0.460 -6.017 -5.726
36 HA PHE 5 HA PHE 5 2.397 -4.151 -4.999
37 HB2 PHE 5 2HB PHE 5 2.837 -6.554 -5.251
38 HB3 PHE 5 1HB PHE 5 2.591 -6.420 -6.986
39 HD1 PHE 5 1HD PHE 5 4.677 -5.070 -4.239
40 HD2 PHE 5 2HD PHE 5 4.418 -6.053 -8.364
41 HE1 PHE 5 1HE PHE 5 7.053 -4.579 -4.488
42 HE2 PHE 5 2HE PHE 5 6.810 -5.557 -8.637
43 HZ PHE 5 HZ PHE 5 8.138 -4.819 -6.705
44 H GLY 6 H GLY 6 3.051 -2.358 -5.904
45 HA2 GLY 6 2HA GLY 6 3.732 -0.947 -7.612
46 HA3 GLY 6 1HA GLY 6 3.032 -2.054 -8.786
47 H TRP 7 H TRP 7 0.773 -1.477 -6.367
48 HA TRP 7 HA TRP 7 -0.579 0.315 -8.149
49 HB2 TRP 7 2HB TRP 7 -1.518 -1.134 -5.669
50 HB3 TRP 7 1HB TRP 7 -2.517 0.055 -6.492
51 HD1 TRP 7 HD TRP 7 -0.418 -2.481 -8.458
52 HE1 TRP 7 1HE TRP 7 -1.992 -4.107 -9.697
53 HE3 TRP 7 3HE TRP 7 -4.856 -0.976 -6.438
54 HZ2 TRP 7 2HZ TRP 7 -4.760 -4.664 -9.794
55 HZ3 TRP 7 3HZ TRP 7 -6.919 -2.108 -7.149
56 HH2 TRP 7 HH TRP 7 -6.870 -3.912 -8.791
57 H LYS 8 H LYS 8 -1.275 2.347 -7.581
58 HA LYS 8 HA LYS 8 0.441 3.878 -5.910
59 HB2 LYS 8 2HB LYS 8 -0.604 4.767 -7.948
60 HB3 LYS 8 1HB LYS 8 -2.191 4.579 -7.224
61 HG2 LYS 8 2HG LYS 8 -1.569 6.898 -7.150
62 HG3 LYS 8 1HG LYS 8 -1.554 6.254 -5.513
63 HD2 LYS 8 2HD LYS 8 0.864 6.042 -5.582
64 HD3 LYS 8 1HD LYS 8 0.881 6.592 -7.259
65 HE2 LYS 8 2HE LYS 8 -0.093 8.207 -4.907
66 HE3 LYS 8 1HE LYS 8 1.493 8.362 -5.649
67 HZ1 LYS 8 3HZ LYS 8 -0.113 10.023 -6.426
68 HZ2 LYS 8 1HZ LYS 8 -1.074 8.817 -7.092
69 HZ3 LYS 8 2HZ LYS 8 0.491 9.098 -7.680
70 H CYS 9 H CYS 9 0.129 4.622 -3.867
71 HA CYS 9 HA CYS 9 -2.426 4.227 -2.543
72 HB2 CYS 9 2HB CYS 9 -1.238 3.087 -0.652
73 HB3 CYS 9 1HB CYS 9 -1.323 2.136 -2.135
74 H ASN 10 H ASN 10 -2.024 4.967 -0.114
75 HA ASN 10 HA ASN 10 -0.557 7.501 -0.169
76 HB2 ASN 10 2HB ASN 10 -2.883 6.563 1.541
77 HB3 ASN 10 1HB ASN 10 -2.038 8.084 1.798
78 HD21 ASN 10 1HD2 ASN 10 -4.853 7.577 1.171
79 HD22 ASN 10 2HD2 ASN 10 -5.182 8.441 -0.269
80 HA PRO 11 HA PRO 11 2.589 5.417 2.053
81 HB2 PRO 11 2HB PRO 11 3.524 7.557 3.569
82 HB3 PRO 11 1HB PRO 11 4.003 7.169 1.913
83 HG2 PRO 11 2HG PRO 11 1.970 9.128 2.880
84 HG3 PRO 11 1HG PRO 11 3.142 9.287 1.560
85 HD2 PRO 11 2HD PRO 11 0.584 8.777 1.040
86 HD3 PRO 11 1HD PRO 11 1.869 7.981 0.105
87 H ARG 12 H ARG 12 0.532 7.503 4.022
88 HA ARG 12 HA ARG 12 1.173 5.934 6.393
89 HB2 ARG 12 2HB ARG 12 -0.495 8.404 6.045
90 HB3 ARG 12 1HB ARG 12 -0.158 7.608 7.566
91 HG2 ARG 12 2HG ARG 12 1.874 8.904 5.729
92 HG3 ARG 12 1HG ARG 12 1.274 9.583 7.239
93 HD2 ARG 12 2HD ARG 12 2.873 7.025 6.958
94 HD3 ARG 12 1HD ARG 12 3.490 8.579 7.510
95 HE ARG 12 HE ARG 12 1.326 7.917 9.104
96 HH11 ARG 12 1HH1 ARG 12 4.629 6.715 8.549
97 HH12 ARG 12 2HH1 ARG 12 4.798 6.080 10.117
98 HH21 ARG 12 1HH2 ARG 12 1.564 7.039 11.213
99 HH22 ARG 12 2HH2 ARG 12 3.001 6.253 11.677
100 H ASN 13 H ASN 13 -1.289 6.387 4.112
101 HA ASN 13 HA ASN 13 -3.115 4.764 5.734
102 HB2 ASN 13 2HB ASN 13 -4.203 6.833 5.049
103 HB3 ASN 13 1HB ASN 13 -3.786 6.552 3.368
104 HD21 ASN 13 1HD2 ASN 13 -5.767 5.470 6.028
105 HD22 ASN 13 2HD2 ASN 13 -6.957 4.667 5.064
106 H ASP 14 H ASP 14 -2.273 2.871 5.420
107 HA ASP 14 HA ASP 14 -1.420 1.967 2.810
108 HB2 ASP 14 2HB ASP 14 -0.188 1.494 4.960
109 HB3 ASP 14 1HB ASP 14 -1.516 0.430 5.395
110 H LYS 15 H LYS 15 -2.905 1.205 1.486
111 HA LYS 15 HA LYS 15 -4.985 -0.513 2.641
112 HB2 LYS 15 2HB LYS 15 -5.179 1.149 0.123
113 HB3 LYS 15 1HB LYS 15 -6.411 0.045 0.697
114 HG2 LYS 15 2HG LYS 15 -5.516 2.624 1.976
115 HG3 LYS 15 1HG LYS 15 -7.068 2.287 1.221
116 HD2 LYS 15 2HD LYS 15 -5.995 1.113 3.791
117 HD3 LYS 15 1HD LYS 15 -7.297 2.280 3.625
118 HE2 LYS 15 2HE LYS 15 -7.333 -0.575 2.640
119 HE3 LYS 15 1HE LYS 15 -8.132 0.026 4.083
120 HZ1 LYS 15 3HZ LYS 15 -8.766 0.853 1.300
121 HZ2 LYS 15 1HZ LYS 15 -9.551 1.404 2.693
122 HZ3 LYS 15 2HZ LYS 15 -9.656 -0.211 2.234
123 H CYS 16 H CYS 16 -2.218 -1.045 1.639
124 HA CYS 16 HA CYS 16 -2.581 -2.489 -0.794
125 HB2 CYS 16 2HB CYS 16 -0.276 -2.538 1.181
126 HB3 CYS 16 1HB CYS 16 -0.237 -3.179 -0.454
127 H CYS 17 H CYS 17 -2.041 -4.864 -0.871
128 HA CYS 17 HA CYS 17 -3.747 -6.321 0.831
129 HB2 CYS 17 2HB CYS 17 -1.598 -7.345 -1.029
130 HB3 CYS 17 1HB CYS 17 -2.923 -8.294 -0.368
131 H SER 18 H SER 18 -2.973 -8.395 1.936
132 HA SER 18 HA SER 18 -1.331 -7.701 4.090
133 HB2 SER 18 2HB SER 18 -3.219 -9.332 4.201
134 HB3 SER 18 1HB SER 18 -2.276 -10.453 3.224
135 HG SER 18 HG SER 18 -1.948 -9.671 5.889
136 H GLY 19 H GLY 19 0.808 -7.937 4.385
137 HA2 GLY 19 2HA GLY 19 2.967 -8.795 4.110
138 HA3 GLY 19 1HA GLY 19 2.385 -9.781 2.772
139 H LEU 20 H LEU 20 1.296 -6.660 2.477
140 HA LEU 20 HA LEU 20 3.499 -5.881 0.726
141 HB2 LEU 20 2HB LEU 20 1.199 -6.810 -0.176
142 HB3 LEU 20 1HB LEU 20 0.620 -5.226 0.273
143 HG LEU 20 HG LEU 20 2.315 -4.244 -1.267
144 HD11 LEU 20 1HD1 LEU 20 3.350 -5.772 -2.892
145 HD12 LEU 20 2HD1 LEU 20 2.649 -7.142 -2.010
146 HD13 LEU 20 3HD1 LEU 20 3.854 -6.124 -1.236
147 HD21 LEU 20 3HD2 LEU 20 1.102 -4.854 -3.278
148 HD22 LEU 20 1HD2 LEU 20 -0.011 -4.584 -1.936
149 HD23 LEU 20 2HD2 LEU 20 0.385 -6.227 -2.437
150 H LYS 21 H LYS 21 3.878 -3.590 0.862
151 HA LYS 21 HA LYS 21 2.250 -2.134 2.810
152 HB2 LYS 21 2HB LYS 21 4.151 -2.965 4.075
153 HB3 LYS 21 1HB LYS 21 5.264 -2.303 2.872
154 HG2 LYS 21 2HG LYS 21 4.479 -0.050 3.420
155 HG3 LYS 21 1HG LYS 21 3.421 -0.717 4.651
156 HD2 LYS 21 2HD LYS 21 5.394 -1.581 5.835
157 HD3 LYS 21 1HD LYS 21 6.429 -0.856 4.597
158 HE2 LYS 21 2HE LYS 21 4.516 0.626 6.399
159 HE3 LYS 21 1HE LYS 21 6.264 0.562 6.580
160 HZ1 LYS 21 3HZ LYS 21 5.542 2.610 5.510
161 HZ2 LYS 21 1HZ LYS 21 4.829 1.766 4.243
162 HZ3 LYS 21 2HZ LYS 21 6.499 1.737 4.463
163 H CYS 22 H CYS 22 2.068 -0.070 2.414
164 HA CYS 22 HA CYS 22 2.798 0.953 -0.169
165 HB2 CYS 22 2HB CYS 22 0.665 1.532 1.005
166 HB3 CYS 22 1HB CYS 22 1.606 2.424 2.194
167 H GLY 23 H GLY 23 4.529 2.151 -0.660
168 HA2 GLY 23 2HA GLY 23 6.612 2.438 1.289
169 HA3 GLY 23 1HA GLY 23 6.694 2.896 -0.403
170 H SER 24 H SER 24 7.677 4.319 1.881
171 HA SER 24 HA SER 24 5.927 6.586 2.128
172 HB2 SER 24 2HB SER 24 7.840 7.318 3.686
173 HB3 SER 24 1HB SER 24 6.840 5.949 4.186
174 HG SER 24 HG SER 24 9.437 6.030 3.884
175 H ASN 25 H ASN 25 9.016 5.735 0.713
176 HA ASN 25 HA ASN 25 9.531 8.433 -0.178
177 HB2 ASN 25 2HB ASN 25 10.962 5.833 -0.779
178 HB3 ASN 25 1HB ASN 25 11.424 7.362 -1.515
179 HD21 ASN 25 1HD2 ASN 25 11.351 5.491 1.433
180 HD22 ASN 25 2HD2 ASN 25 12.403 6.540 2.316
181 H HIS 26 H HIS 26 8.632 5.421 -1.730
182 HA HIS 26 HA HIS 26 7.399 7.018 -3.857
183 HB2 HIS 26 2HB HIS 26 8.503 4.203 -3.900
184 HB3 HIS 26 1HB HIS 26 7.372 4.753 -5.101
185 HD1 HIS 26 1HD HIS 26 8.253 6.247 -6.968
186 HD2 HIS 26 2HD HIS 26 11.001 5.292 -4.045
187 HE1 HIS 26 1HE HIS 26 10.482 6.964 -7.895
188 H ASN 27 H ASN 27 5.285 7.056 -3.724
189 HA ASN 27 HA ASN 27 4.098 5.429 -1.666
190 HB2 ASN 27 2HB ASN 27 2.782 7.566 -3.354
191 HB3 ASN 27 1HB ASN 27 2.098 6.801 -1.930
192 HD21 ASN 27 1HD2 ASN 27 4.692 6.862 -0.471
193 HD22 ASN 27 2HD2 ASN 27 4.934 8.520 -0.054
194 H TRP 28 H TRP 28 4.537 3.550 -2.895
195 HA TRP 28 HA TRP 28 2.136 2.779 -4.273
196 HB2 TRP 28 2HB TRP 28 3.447 1.411 -5.926
197 HB3 TRP 28 1HB TRP 28 3.541 3.136 -6.188
198 HD1 TRP 28 HD TRP 28 5.804 1.409 -3.619
199 HE1 TRP 28 1HE TRP 28 8.235 1.444 -4.445
200 HE3 TRP 28 3HE TRP 28 5.072 3.296 -8.297
201 HZ2 TRP 28 2HZ TRP 28 9.622 2.127 -6.651
202 HZ3 TRP 28 3HZ TRP 28 7.056 3.619 -9.736
203 HH2 TRP 28 HH TRP 28 9.292 3.052 -8.942
204 H CYS 29 H CYS 29 1.952 0.483 -4.306
205 HA CYS 29 HA CYS 29 2.639 -0.585 -1.746
206 HB2 CYS 29 2HB CYS 29 1.251 -1.816 -4.101
207 HB3 CYS 29 1HB CYS 29 1.414 -2.653 -2.579
208 H LYS 30 H LYS 30 4.450 -1.429 -1.218
209 HA LYS 30 HA LYS 30 6.222 -2.756 -3.165
210 HB2 LYS 30 2HB LYS 30 6.836 -1.525 -0.469
211 HB3 LYS 30 1HB LYS 30 8.002 -2.184 -1.610
212 HG2 LYS 30 2HG LYS 30 7.566 -0.395 -3.159
213 HG3 LYS 30 1HG LYS 30 6.230 0.161 -2.156
214 HD2 LYS 30 2HD LYS 30 8.074 1.639 -1.817
215 HD3 LYS 30 1HD LYS 30 7.878 0.680 -0.360
216 HE2 LYS 30 2HE LYS 30 9.885 0.061 -2.521
217 HE3 LYS 30 1HE LYS 30 10.250 1.087 -1.154
218 HZ1 LYS 30 3HZ LYS 30 9.680 -0.833 0.308
219 HZ2 LYS 30 1HZ LYS 30 11.028 -1.100 -0.650
220 HZ3 LYS 30 2HZ LYS 30 9.580 -1.817 -1.049
221 H LEU 31 H LEU 31 7.550 -4.504 -2.028
222 HA LEU 31 HA LEU 31 5.770 -6.337 -0.712
223 HB2 LEU 31 2HB LEU 31 8.733 -6.526 -1.234
224 HB3 LEU 31 1HB LEU 31 7.693 -7.834 -0.722
225 HG LEU 31 HG LEU 31 7.540 -6.416 -3.377
226 HD11 LEU 31 1HD1 LEU 31 9.537 -7.771 -3.162
227 HD12 LEU 31 2HD1 LEU 31 8.392 -8.514 -4.279
228 HD13 LEU 31 3HD1 LEU 31 8.564 -9.146 -2.640
229 HD21 LEU 31 3HD2 LEU 31 5.984 -8.223 -3.976
230 HD22 LEU 31 1HD2 LEU 31 5.361 -7.225 -2.662
231 HD23 LEU 31 2HD2 LEU 31 6.046 -8.808 -2.311
232 H HIS 32 H HIS 32 5.608 -6.679 1.438
233 HA HIS 32 HA HIS 32 7.228 -5.034 3.153
234 HB2 HIS 32 2HB HIS 32 4.780 -5.318 3.553
235 HB3 HIS 32 1HB HIS 32 5.075 -7.024 3.879
236 HD1 HIS 32 1HD HIS 32 5.544 -7.599 6.293
237 HD2 HIS 32 2HD HIS 32 6.093 -3.570 5.467
238 HE1 HIS 32 1HE HIS 32 5.953 -6.474 8.514
239 H LEU 33 H LEU 33 9.163 -5.846 2.931
240 HA LEU 33 HA LEU 33 9.654 -8.628 3.727
241 HB2 LEU 33 2HB LEU 33 11.473 -6.709 2.256
242 HB3 LEU 33 1HB LEU 33 11.814 -8.390 2.601
243 HG LEU 33 HG LEU 33 9.669 -7.371 0.736
244 HD11 LEU 33 1HD1 LEU 33 12.298 -8.724 0.165
245 HD12 LEU 33 2HD1 LEU 33 11.898 -7.036 -0.155
246 HD13 LEU 33 3HD1 LEU 33 11.066 -8.321 -1.029
247 HD21 LEU 33 3HD2 LEU 33 9.002 -9.472 1.782
248 HD22 LEU 33 1HD2 LEU 33 10.551 -10.194 1.344
249 HD23 LEU 33 2HD2 LEU 33 9.409 -9.725 0.087
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 -11.288 -3.674 -2.872
2 H2 ASP 1 2HT ASP 1 -11.527 -3.854 -1.242
3 H3 ASP 1 3HT ASP 1 -12.236 -4.959 -2.311
4 HA ASP 1 HA ASP 1 -10.300 -5.896 -1.219
5 HB2 ASP 1 2HB ASP 1 -9.928 -5.276 -4.154
6 HB3 ASP 1 1HB ASP 1 -8.878 -6.370 -3.269
7 H CYS 2 H CYS 2 -7.808 -5.901 -1.552
8 HA CYS 2 HA CYS 2 -6.888 -3.319 -0.653
9 HB2 CYS 2 2HB CYS 2 -4.794 -4.694 -0.220
10 HB3 CYS 2 1HB CYS 2 -6.226 -5.127 0.709
11 H LEU 3 H LEU 3 -4.743 -2.580 -1.418
12 HA LEU 3 HA LEU 3 -4.673 -2.442 -4.283
13 HB2 LEU 3 2HB LEU 3 -2.716 -1.344 -2.271
14 HB3 LEU 3 1HB LEU 3 -2.848 -0.898 -3.952
15 HG LEU 3 HG LEU 3 -4.950 -0.387 -1.876
16 HD11 LEU 3 1HD1 LEU 3 -4.222 1.948 -2.037
17 HD12 LEU 3 2HD1 LEU 3 -2.928 1.467 -3.135
18 HD13 LEU 3 3HD1 LEU 3 -2.925 0.902 -1.462
19 HD21 LEU 3 3HD2 LEU 3 -4.675 0.612 -4.704
20 HD22 LEU 3 1HD2 LEU 3 -5.950 1.057 -3.571
21 HD23 LEU 3 2HD2 LEU 3 -5.827 -0.606 -4.158
22 H LYS 4 H LYS 4 -3.097 -3.248 -5.588
23 HA LYS 4 HA LYS 4 -1.620 -5.530 -4.519
24 HB2 LYS 4 2HB LYS 4 -2.236 -4.743 -7.355
25 HB3 LYS 4 1HB LYS 4 -1.360 -6.186 -6.866
26 HG2 LYS 4 2HG LYS 4 -3.336 -7.013 -5.694
27 HG3 LYS 4 1HG LYS 4 -4.208 -5.548 -6.139
28 HD2 LYS 4 2HD LYS 4 -4.778 -7.405 -7.613
29 HD3 LYS 4 1HD LYS 4 -3.968 -6.099 -8.487
30 HE2 LYS 4 2HE LYS 4 -3.169 -8.296 -9.192
31 HE3 LYS 4 1HE LYS 4 -1.880 -7.357 -8.452
32 HZ1 LYS 4 3HZ LYS 4 -2.260 -8.642 -6.383
33 HZ2 LYS 4 1HZ LYS 4 -1.856 -9.636 -7.694
34 HZ3 LYS 4 2HZ LYS 4 -3.449 -9.521 -7.181
35 H PHE 5 H PHE 5 0.416 -5.937 -6.083
36 HA PHE 5 HA PHE 5 2.339 -4.136 -5.131
37 HB2 PHE 5 2HB PHE 5 2.859 -6.489 -5.548
38 HB3 PHE 5 1HB PHE 5 2.609 -6.252 -7.274
39 HD1 PHE 5 1HD PHE 5 4.632 -4.901 -4.464
40 HD2 PHE 5 2HD PHE 5 4.457 -5.851 -8.604
41 HE1 PHE 5 1HE PHE 5 6.997 -4.306 -4.689
42 HE2 PHE 5 2HE PHE 5 6.832 -5.253 -8.847
43 HZ PHE 5 HZ PHE 5 8.109 -4.478 -6.891
44 H GLY 6 H GLY 6 3.082 -2.332 -5.850
45 HA2 GLY 6 2HA GLY 6 3.812 -0.763 -7.378
46 HA3 GLY 6 1HA GLY 6 3.135 -1.742 -8.671
47 H TRP 7 H TRP 7 0.731 -1.456 -6.380
48 HA TRP 7 HA TRP 7 -0.600 0.469 -8.053
49 HB2 TRP 7 2HB TRP 7 -1.488 -1.084 -5.624
50 HB3 TRP 7 1HB TRP 7 -2.483 0.184 -6.332
51 HD1 TRP 7 HD TRP 7 -0.573 -2.215 -8.643
52 HE1 TRP 7 1HE TRP 7 -2.275 -3.707 -9.870
53 HE3 TRP 7 3HE TRP 7 -4.795 -0.899 -6.103
54 HZ2 TRP 7 2HZ TRP 7 -5.034 -4.266 -9.758
55 HZ3 TRP 7 3HZ TRP 7 -6.915 -1.963 -6.712
56 HH2 TRP 7 HH TRP 7 -7.033 -3.614 -8.503
57 H LYS 8 H LYS 8 -1.212 2.492 -7.510
58 HA LYS 8 HA LYS 8 0.607 3.785 -5.760
59 HB2 LYS 8 2HB LYS 8 -1.713 4.907 -7.327
60 HB3 LYS 8 1HB LYS 8 -0.539 5.874 -6.449
61 HG2 LYS 8 2HG LYS 8 0.110 4.021 -8.739
62 HG3 LYS 8 1HG LYS 8 -0.055 5.772 -8.860
63 HD2 LYS 8 2HD LYS 8 1.837 6.097 -7.381
64 HD3 LYS 8 1HD LYS 8 1.952 4.366 -7.082
65 HE2 LYS 8 2HE LYS 8 3.648 5.071 -8.659
66 HE3 LYS 8 1HE LYS 8 2.487 3.995 -9.430
67 HZ1 LYS 8 3HZ LYS 8 3.007 5.845 -10.859
68 HZ2 LYS 8 1HZ LYS 8 2.553 6.953 -9.676
69 HZ3 LYS 8 2HZ LYS 8 1.402 5.962 -10.374
70 H CYS 9 H CYS 9 0.460 4.058 -3.806
71 HA CYS 9 HA CYS 9 -2.134 3.888 -2.450
72 HB2 CYS 9 2HB CYS 9 -0.862 2.987 -0.551
73 HB3 CYS 9 1HB CYS 9 -0.604 2.004 -1.990
74 H ASN 10 H ASN 10 -1.905 5.019 -0.257
75 HA ASN 10 HA ASN 10 -0.440 7.504 -0.642
76 HB2 ASN 10 2HB ASN 10 -3.112 7.028 0.740
77 HB3 ASN 10 1HB ASN 10 -2.136 8.459 1.050
78 HD21 ASN 10 1HD2 ASN 10 -3.750 9.741 0.303
79 HD22 ASN 10 2HD2 ASN 10 -4.150 9.797 -1.371
80 HA PRO 11 HA PRO 11 2.091 5.673 2.471
81 HB2 PRO 11 2HB PRO 11 3.556 7.900 3.085
82 HB3 PRO 11 1HB PRO 11 3.834 6.889 1.666
83 HG2 PRO 11 2HG PRO 11 2.293 9.443 1.888
84 HG3 PRO 11 1HG PRO 11 3.470 8.958 0.652
85 HD2 PRO 11 2HD PRO 11 0.866 8.826 0.179
86 HD3 PRO 11 1HD PRO 11 1.954 7.549 -0.408
87 H ARG 12 H ARG 12 -0.185 8.034 3.116
88 HA ARG 12 HA ARG 12 0.403 8.339 5.931
89 HB2 ARG 12 2HB ARG 12 -1.979 9.128 4.299
90 HB3 ARG 12 1HB ARG 12 -1.826 9.441 6.015
91 HG2 ARG 12 2HG ARG 12 -0.023 10.470 3.833
92 HG3 ARG 12 1HG ARG 12 -1.266 11.418 4.656
93 HD2 ARG 12 2HD ARG 12 -0.019 11.157 6.765
94 HD3 ARG 12 1HD ARG 12 1.203 10.208 5.915
95 HE ARG 12 HE ARG 12 0.815 12.680 4.651
96 HH11 ARG 12 1HH1 ARG 12 2.373 11.285 7.511
97 HH12 ARG 12 2HH1 ARG 12 3.532 12.521 7.655
98 HH21 ARG 12 1HH2 ARG 12 2.432 14.342 4.832
99 HH22 ARG 12 2HH2 ARG 12 3.577 14.301 6.091
100 H ASN 13 H ASN 13 -1.501 6.252 3.959
101 HA ASN 13 HA ASN 13 -2.164 4.633 6.253
102 HB2 ASN 13 2HB ASN 13 -4.034 6.200 6.299
103 HB3 ASN 13 1HB ASN 13 -4.362 5.899 4.599
104 HD21 ASN 13 1HD2 ASN 13 -5.467 4.088 4.026
105 HD22 ASN 13 2HD2 ASN 13 -6.218 3.023 5.168
106 H ASP 14 H ASP 14 -1.510 2.748 5.605
107 HA ASP 14 HA ASP 14 -1.177 1.911 2.925
108 HB2 ASP 14 2HB ASP 14 0.254 1.019 4.675
109 HB3 ASP 14 1HB ASP 14 -1.160 0.360 5.495
110 H LYS 15 H LYS 15 -2.548 1.056 1.577
111 HA LYS 15 HA LYS 15 -4.869 -0.419 2.599
112 HB2 LYS 15 2HB LYS 15 -4.613 1.317 0.146
113 HB3 LYS 15 1HB LYS 15 -5.958 0.228 0.405
114 HG2 LYS 15 2HG LYS 15 -5.211 2.499 2.234
115 HG3 LYS 15 1HG LYS 15 -6.450 2.589 0.985
116 HD2 LYS 15 2HD LYS 15 -6.424 0.706 3.327
117 HD3 LYS 15 1HD LYS 15 -7.402 2.165 3.215
118 HE2 LYS 15 2HE LYS 15 -7.619 -0.307 1.466
119 HE3 LYS 15 1HE LYS 15 -8.764 0.220 2.685
120 HZ1 LYS 15 3HZ LYS 15 -9.499 0.767 0.454
121 HZ2 LYS 15 1HZ LYS 15 -8.128 1.677 0.174
122 HZ3 LYS 15 2HZ LYS 15 -9.251 2.192 1.320
123 H CYS 16 H CYS 16 -2.038 -1.120 1.721
124 HA CYS 16 HA CYS 16 -2.503 -2.622 -0.696
125 HB2 CYS 16 2HB CYS 16 -0.077 -2.628 1.105
126 HB3 CYS 16 1HB CYS 16 -0.145 -3.211 -0.552
127 H CYS 17 H CYS 17 -2.090 -4.953 -0.799
128 HA CYS 17 HA CYS 17 -3.675 -6.382 1.006
129 HB2 CYS 17 2HB CYS 17 -1.701 -7.374 -1.038
130 HB3 CYS 17 1HB CYS 17 -2.923 -8.363 -0.244
131 H SER 18 H SER 18 -2.969 -8.457 2.125
132 HA SER 18 HA SER 18 -1.104 -7.839 4.122
133 HB2 SER 18 2HB SER 18 -2.355 -10.497 3.397
134 HB3 SER 18 1HB SER 18 -1.633 -10.074 4.953
135 HG SER 18 HG SER 18 -3.326 -8.912 5.463
136 H GLY 19 H GLY 19 1.022 -8.181 4.182
137 HA2 GLY 19 2HA GLY 19 3.019 -9.353 3.740
138 HA3 GLY 19 1HA GLY 19 2.245 -10.108 2.346
139 H LEU 20 H LEU 20 1.209 -7.184 1.993
140 HA LEU 20 HA LEU 20 3.491 -6.220 0.437
141 HB2 LEU 20 2HB LEU 20 1.225 -7.060 -0.582
142 HB3 LEU 20 1HB LEU 20 0.594 -5.558 0.050
143 HG LEU 20 HG LEU 20 2.259 -4.346 -1.346
144 HD11 LEU 20 1HD1 LEU 20 3.310 -5.627 -3.162
145 HD12 LEU 20 2HD1 LEU 20 2.686 -7.119 -2.431
146 HD13 LEU 20 3HD1 LEU 20 3.862 -6.138 -1.566
147 HD21 LEU 20 3HD2 LEU 20 0.376 -6.209 -2.759
148 HD22 LEU 20 1HD2 LEU 20 1.064 -4.729 -3.413
149 HD23 LEU 20 2HD2 LEU 20 -0.051 -4.654 -2.046
150 H LYS 21 H LYS 21 3.761 -3.840 0.656
151 HA LYS 21 HA LYS 21 2.008 -2.575 2.589
152 HB2 LYS 21 2HB LYS 21 3.726 -3.707 3.931
153 HB3 LYS 21 1HB LYS 21 4.949 -2.775 3.061
154 HG2 LYS 21 2HG LYS 21 4.531 -1.874 5.305
155 HG3 LYS 21 1HG LYS 21 4.119 -0.720 4.040
156 HD2 LYS 21 2HD LYS 21 2.450 -0.742 5.832
157 HD3 LYS 21 1HD LYS 21 1.755 -1.252 4.302
158 HE2 LYS 21 2HE LYS 21 1.948 -3.605 5.014
159 HE3 LYS 21 1HE LYS 21 2.617 -3.075 6.558
160 HZ1 LYS 21 3HZ LYS 21 0.546 -1.995 7.071
161 HZ2 LYS 21 1HZ LYS 21 0.219 -3.581 6.638
162 HZ3 LYS 21 2HZ LYS 21 -0.086 -2.343 5.543
163 H CYS 22 H CYS 22 1.718 -0.620 2.173
164 HA CYS 22 HA CYS 22 2.912 0.799 0.023
165 HB2 CYS 22 2HB CYS 22 0.624 1.285 0.867
166 HB3 CYS 22 1HB CYS 22 1.314 1.837 2.388
167 H GLY 23 H GLY 23 4.640 2.157 0.066
168 HA2 GLY 23 2HA GLY 23 6.207 2.040 2.482
169 HA3 GLY 23 1HA GLY 23 6.773 2.754 0.993
170 H SER 24 H SER 24 6.621 3.600 3.808
171 HA SER 24 HA SER 24 4.797 5.742 4.040
172 HB2 SER 24 2HB SER 24 6.368 6.363 5.958
173 HB3 SER 24 1HB SER 24 5.648 4.755 6.021
174 HG SER 24 HG SER 24 8.205 5.416 5.997
175 H ASN 25 H ASN 25 7.902 5.374 2.652
176 HA ASN 25 HA ASN 25 8.058 8.232 1.976
177 HB2 ASN 25 2HB ASN 25 10.213 6.102 2.087
178 HB3 ASN 25 1HB ASN 25 10.467 7.681 1.365
179 HD21 ASN 25 1HD2 ASN 25 10.598 9.466 2.694
180 HD22 ASN 25 2HD2 ASN 25 10.831 9.350 4.408
181 H HIS 26 H HIS 26 6.432 5.999 0.699
182 HA HIS 26 HA HIS 26 7.464 6.296 -2.031
183 HB2 HIS 26 2HB HIS 26 6.451 3.717 -0.788
184 HB3 HIS 26 1HB HIS 26 6.654 3.966 -2.507
185 HD1 HIS 26 1HD HIS 26 8.725 3.588 0.676
186 HD2 HIS 26 2HD HIS 26 9.130 3.673 -3.449
187 HE1 HIS 26 1HE HIS 26 11.056 2.827 0.208
188 H ASN 27 H ASN 27 5.669 5.527 -3.596
189 HA ASN 27 HA ASN 27 3.044 6.323 -2.550
190 HB2 ASN 27 2HB ASN 27 4.264 7.034 -5.215
191 HB3 ASN 27 1HB ASN 27 2.543 7.143 -4.911
192 HD21 ASN 27 1HD2 ASN 27 3.134 8.046 -2.096
193 HD22 ASN 27 2HD2 ASN 27 3.562 9.700 -2.281
194 H TRP 28 H TRP 28 4.473 3.786 -3.130
195 HA TRP 28 HA TRP 28 2.182 2.603 -4.414
196 HB2 TRP 28 2HB TRP 28 3.570 1.133 -5.890
197 HB3 TRP 28 1HB TRP 28 3.555 2.824 -6.329
198 HD1 TRP 28 HD TRP 28 5.907 1.273 -3.679
199 HE1 TRP 28 1HE TRP 28 8.339 1.567 -4.497
200 HE3 TRP 28 3HE TRP 28 4.993 3.225 -8.283
201 HZ2 TRP 28 2HZ TRP 28 9.640 2.433 -6.684
202 HZ3 TRP 28 3HZ TRP 28 6.923 3.773 -9.726
203 HH2 TRP 28 HH TRP 28 9.214 3.395 -8.953
204 H CYS 29 H CYS 29 1.930 0.468 -4.169
205 HA CYS 29 HA CYS 29 2.619 -0.600 -1.632
206 HB2 CYS 29 2HB CYS 29 1.330 -1.756 -4.071
207 HB3 CYS 29 1HB CYS 29 1.435 -2.648 -2.579
208 H LYS 30 H LYS 30 4.621 -1.351 -1.210
209 HA LYS 30 HA LYS 30 6.087 -2.749 -3.338
210 HB2 LYS 30 2HB LYS 30 7.102 -1.687 -0.696
211 HB3 LYS 30 1HB LYS 30 8.063 -2.528 -1.892
212 HG2 LYS 30 2HG LYS 30 7.612 -0.605 -3.472
213 HG3 LYS 30 1HG LYS 30 6.821 0.211 -2.120
214 HD2 LYS 30 2HD LYS 30 9.069 1.005 -2.246
215 HD3 LYS 30 1HD LYS 30 8.947 -0.039 -0.830
216 HE2 LYS 30 2HE LYS 30 9.896 -1.905 -2.187
217 HE3 LYS 30 1HE LYS 30 10.081 -0.763 -3.524
218 HZ1 LYS 30 3HZ LYS 30 12.129 -1.089 -2.312
219 HZ2 LYS 30 1HZ LYS 30 11.418 -0.593 -0.879
220 HZ3 LYS 30 2HZ LYS 30 11.631 0.498 -2.151
221 H LEU 31 H LEU 31 7.452 -4.578 -2.474
222 HA LEU 31 HA LEU 31 5.785 -6.477 -1.128
223 HB2 LEU 31 2HB LEU 31 8.694 -6.592 -1.941
224 HB3 LEU 31 1HB LEU 31 7.747 -7.953 -1.385
225 HG LEU 31 HG LEU 31 7.173 -6.406 -3.913
226 HD11 LEU 31 1HD1 LEU 31 8.088 -8.358 -5.079
227 HD12 LEU 31 2HD1 LEU 31 8.590 -9.038 -3.529
228 HD13 LEU 31 3HD1 LEU 31 9.302 -7.534 -4.103
229 HD21 LEU 31 3HD2 LEU 31 5.731 -8.319 -4.442
230 HD22 LEU 31 1HD2 LEU 31 5.210 -7.506 -2.967
231 HD23 LEU 31 2HD2 LEU 31 6.096 -9.026 -2.868
232 H HIS 32 H HIS 32 5.758 -6.884 1.018
233 HA HIS 32 HA HIS 32 7.659 -5.405 2.649
234 HB2 HIS 32 2HB HIS 32 5.203 -5.274 3.155
235 HB3 HIS 32 1HB HIS 32 5.243 -6.999 3.511
236 HD1 HIS 32 1HD HIS 32 6.252 -7.700 5.798
237 HD2 HIS 32 2HD HIS 32 6.330 -3.612 5.101
238 HE1 HIS 32 1HE HIS 32 6.773 -6.627 8.015
239 H LEU 33 H LEU 33 9.382 -6.595 2.237
240 HA LEU 33 HA LEU 33 9.333 -9.413 2.971
241 HB2 LEU 33 2HB LEU 33 10.182 -8.785 0.716
242 HB3 LEU 33 1HB LEU 33 11.444 -7.847 1.481
243 HG LEU 33 HG LEU 33 12.406 -9.904 2.425
244 HD11 LEU 33 1HD1 LEU 33 11.593 -12.084 1.673
245 HD12 LEU 33 2HD1 LEU 33 10.234 -11.300 0.866
246 HD13 LEU 33 3HD1 LEU 33 10.377 -11.233 2.623
247 HD21 LEU 33 3HD2 LEU 33 13.212 -10.858 0.320
248 HD22 LEU 33 1HD2 LEU 33 13.190 -9.095 0.268
249 HD23 LEU 33 2HD2 LEU 33 11.929 -10.019 -0.549
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 -11.264 -2.453 -0.444
2 H2 ASP 1 2HT ASP 1 -10.804 -3.320 0.899
3 H3 ASP 1 3HT ASP 1 -12.195 -3.777 0.054
4 HA ASP 1 HA ASP 1 -10.277 -5.218 -0.393
5 HB2 ASP 1 2HB ASP 1 -10.309 -5.096 -2.869
6 HB3 ASP 1 1HB ASP 1 -11.925 -4.961 -2.196
7 H CYS 2 H CYS 2 -8.142 -5.456 -1.168
8 HA CYS 2 HA CYS 2 -6.666 -3.096 -0.409
9 HB2 CYS 2 2HB CYS 2 -4.725 -4.648 -0.165
10 HB3 CYS 2 1HB CYS 2 -6.089 -5.015 0.876
11 H LEU 3 H LEU 3 -4.573 -2.738 -1.411
12 HA LEU 3 HA LEU 3 -4.878 -2.487 -4.285
13 HB2 LEU 3 2HB LEU 3 -2.713 -1.479 -2.448
14 HB3 LEU 3 1HB LEU 3 -2.986 -0.997 -4.107
15 HG LEU 3 HG LEU 3 -4.890 -0.471 -1.844
16 HD11 LEU 3 1HD1 LEU 3 -2.907 1.351 -3.201
17 HD12 LEU 3 2HD1 LEU 3 -2.841 0.774 -1.531
18 HD13 LEU 3 3HD1 LEU 3 -4.134 1.860 -2.040
19 HD21 LEU 3 3HD2 LEU 3 -5.952 -0.633 -4.027
20 HD22 LEU 3 1HD2 LEU 3 -4.812 0.545 -4.666
21 HD23 LEU 3 2HD2 LEU 3 -5.975 1.028 -3.427
22 H LYS 4 H LYS 4 -3.340 -3.254 -5.719
23 HA LYS 4 HA LYS 4 -2.053 -5.708 -4.837
24 HB2 LYS 4 2HB LYS 4 -2.495 -4.611 -7.605
25 HB3 LYS 4 1HB LYS 4 -1.832 -6.191 -7.234
26 HG2 LYS 4 2HG LYS 4 -3.972 -6.777 -6.133
27 HG3 LYS 4 1HG LYS 4 -4.612 -5.210 -6.625
28 HD2 LYS 4 2HD LYS 4 -5.346 -6.866 -8.217
29 HD3 LYS 4 1HD LYS 4 -4.151 -5.816 -8.977
30 HE2 LYS 4 2HE LYS 4 -3.787 -8.167 -9.561
31 HE3 LYS 4 1HE LYS 4 -2.422 -7.505 -8.676
32 HZ1 LYS 4 3HZ LYS 4 -4.570 -9.210 -7.521
33 HZ2 LYS 4 1HZ LYS 4 -3.247 -8.596 -6.672
34 HZ3 LYS 4 2HZ LYS 4 -3.011 -9.713 -7.908
35 H PHE 5 H PHE 5 -0.026 -6.177 -6.259
36 HA PHE 5 HA PHE 5 2.027 -4.486 -5.289
37 HB2 PHE 5 2HB PHE 5 2.362 -6.906 -5.630
38 HB3 PHE 5 1HB PHE 5 2.172 -6.689 -7.365
39 HD1 PHE 5 2HD PHE 5 4.293 -5.863 -4.486
40 HD2 PHE 5 1HD PHE 5 4.007 -6.046 -8.712
41 HE1 PHE 5 2HE PHE 5 6.712 -5.440 -4.660
42 HE2 PHE 5 1HE PHE 5 6.419 -5.626 -8.904
43 HZ PHE 5 HZ PHE 5 7.779 -5.321 -6.873
44 H GLY 6 H GLY 6 2.719 -2.644 -6.102
45 HA2 GLY 6 2HA GLY 6 3.626 -1.321 -7.810
46 HA3 GLY 6 1HA GLY 6 2.776 -2.299 -9.000
47 H TRP 7 H TRP 7 0.638 -1.618 -6.552
48 HA TRP 7 HA TRP 7 -0.585 0.431 -8.200
49 HB2 TRP 7 2HB TRP 7 -1.558 -1.156 -5.827
50 HB3 TRP 7 1HB TRP 7 -2.469 0.203 -6.477
51 HD1 TRP 7 HD TRP 7 -0.708 -2.237 -8.868
52 HE1 TRP 7 1HE TRP 7 -2.504 -3.545 -10.167
53 HE3 TRP 7 3HE TRP 7 -4.849 -0.683 -6.321
54 HZ2 TRP 7 2HZ TRP 7 -5.295 -3.871 -10.118
55 HZ3 TRP 7 3HZ TRP 7 -7.039 -1.542 -7.011
56 HH2 TRP 7 HH TRP 7 -7.256 -3.106 -8.869
57 H LYS 8 H LYS 8 -1.056 2.504 -7.477
58 HA LYS 8 HA LYS 8 0.869 3.469 -5.622
59 HB2 LYS 8 2HB LYS 8 -1.286 4.902 -7.119
60 HB3 LYS 8 1HB LYS 8 -0.221 5.689 -5.969
61 HG2 LYS 8 2HG LYS 8 1.652 4.650 -7.467
62 HG3 LYS 8 1HG LYS 8 0.361 4.623 -8.678
63 HD2 LYS 8 2HD LYS 8 1.223 6.988 -7.060
64 HD3 LYS 8 1HD LYS 8 1.647 6.730 -8.761
65 HE2 LYS 8 2HE LYS 8 -0.723 6.877 -9.360
66 HE3 LYS 8 1HE LYS 8 -1.159 7.045 -7.661
67 HZ1 LYS 8 3HZ LYS 8 0.449 8.974 -9.248
68 HZ2 LYS 8 1HZ LYS 8 0.102 9.103 -7.600
69 HZ3 LYS 8 2HZ LYS 8 -1.143 9.180 -8.717
70 H CYS 9 H CYS 9 0.375 4.897 -3.933
71 HA CYS 9 HA CYS 9 -2.147 4.517 -2.597
72 HB2 CYS 9 2HB CYS 9 -1.087 3.555 -0.589
73 HB3 CYS 9 1HB CYS 9 -0.961 2.485 -1.985
74 H ASN 10 H ASN 10 -2.080 5.674 -0.501
75 HA ASN 10 HA ASN 10 -0.371 8.027 -0.607
76 HB2 ASN 10 2HB ASN 10 -2.892 7.416 0.978
77 HB3 ASN 10 1HB ASN 10 -1.954 8.883 1.170
78 HD21 ASN 10 1HD2 ASN 10 -4.707 8.494 0.398
79 HD22 ASN 10 2HD2 ASN 10 -4.910 9.272 -1.127
80 HA PRO 11 HA PRO 11 2.112 5.637 2.264
81 HB2 PRO 11 2HB PRO 11 3.658 7.716 3.177
82 HB3 PRO 11 1HB PRO 11 3.938 6.846 1.671
83 HG2 PRO 11 2HG PRO 11 2.506 9.439 2.103
84 HG3 PRO 11 1HG PRO 11 3.700 9.016 0.858
85 HD2 PRO 11 2HD PRO 11 1.112 9.056 0.292
86 HD3 PRO 11 1HD PRO 11 2.147 7.770 -0.367
87 H ARG 12 H ARG 12 0.051 8.152 3.175
88 HA ARG 12 HA ARG 12 0.502 7.936 6.029
89 HB2 ARG 12 2HB ARG 12 -1.500 9.374 4.357
90 HB3 ARG 12 1HB ARG 12 -1.634 9.286 6.101
91 HG2 ARG 12 2HG ARG 12 0.663 10.491 4.532
92 HG3 ARG 12 1HG ARG 12 -0.600 11.407 5.355
93 HD2 ARG 12 2HD ARG 12 1.479 9.626 6.628
94 HD3 ARG 12 1HD ARG 12 1.395 11.381 6.704
95 HE ARG 12 HE ARG 12 -0.878 10.886 7.794
96 HH11 ARG 12 1HH1 ARG 12 2.097 9.040 8.305
97 HH12 ARG 12 2HH1 ARG 12 1.695 8.524 9.875
98 HH21 ARG 12 1HH2 ARG 12 -1.441 10.177 9.985
99 HH22 ARG 12 2HH2 ARG 12 -0.342 9.187 10.838
100 H ASN 13 H ASN 13 -1.337 6.324 3.697
101 HA ASN 13 HA ASN 13 -2.756 4.833 5.783
102 HB2 ASN 13 2HB ASN 13 -4.289 6.616 5.018
103 HB3 ASN 13 1HB ASN 13 -4.143 6.012 3.374
104 HD21 ASN 13 1HD2 ASN 13 -6.241 5.506 3.140
105 HD22 ASN 13 2HD2 ASN 13 -7.058 4.263 4.009
106 H ASP 14 H ASP 14 -1.775 2.921 5.402
107 HA ASP 14 HA ASP 14 -1.238 1.882 2.791
108 HB2 ASP 14 2HB ASP 14 0.190 1.118 4.604
109 HB3 ASP 14 1HB ASP 14 -1.243 0.581 5.486
110 H LYS 15 H LYS 15 -2.593 1.010 1.501
111 HA LYS 15 HA LYS 15 -4.875 -0.481 2.572
112 HB2 LYS 15 2HB LYS 15 -4.691 1.212 0.077
113 HB3 LYS 15 1HB LYS 15 -6.008 0.097 0.382
114 HG2 LYS 15 2HG LYS 15 -5.296 2.460 2.113
115 HG3 LYS 15 1HG LYS 15 -6.563 2.442 0.887
116 HD2 LYS 15 2HD LYS 15 -6.439 0.662 3.316
117 HD3 LYS 15 1HD LYS 15 -7.449 2.101 3.174
118 HE2 LYS 15 2HE LYS 15 -8.579 1.019 1.199
119 HE3 LYS 15 1HE LYS 15 -7.656 -0.442 1.535
120 HZ1 LYS 15 3HZ LYS 15 -8.751 -0.533 3.743
121 HZ2 LYS 15 1HZ LYS 15 -9.851 -0.595 2.479
122 HZ3 LYS 15 2HZ LYS 15 -9.646 0.821 3.346
123 H CYS 16 H CYS 16 -2.034 -1.148 1.755
124 HA CYS 16 HA CYS 16 -2.456 -2.684 -0.663
125 HB2 CYS 16 2HB CYS 16 -0.061 -2.682 1.165
126 HB3 CYS 16 1HB CYS 16 -0.104 -3.247 -0.493
127 H CYS 17 H CYS 17 -2.119 -5.003 -0.735
128 HA CYS 17 HA CYS 17 -3.536 -6.400 1.287
129 HB2 CYS 17 2HB CYS 17 -1.783 -7.510 -0.911
130 HB3 CYS 17 1HB CYS 17 -3.046 -8.382 -0.053
131 H SER 18 H SER 18 -2.565 -8.381 2.420
132 HA SER 18 HA SER 18 -0.374 -7.572 3.967
133 HB2 SER 18 2HB SER 18 -1.686 -10.277 3.723
134 HB3 SER 18 1HB SER 18 -0.579 -9.789 5.014
135 HG SER 18 HG SER 18 -2.288 -7.899 4.926
136 H GLY 19 H GLY 19 1.730 -8.265 4.044
137 HA2 GLY 19 2HA GLY 19 3.693 -9.286 3.269
138 HA3 GLY 19 1HA GLY 19 2.800 -9.926 1.888
139 H LEU 20 H LEU 20 1.625 -7.145 1.764
140 HA LEU 20 HA LEU 20 3.689 -5.844 0.157
141 HB2 LEU 20 2HB LEU 20 1.517 -6.930 -0.801
142 HB3 LEU 20 1HB LEU 20 0.705 -5.612 0.008
143 HG LEU 20 HG LEU 20 1.990 -4.032 -1.365
144 HD11 LEU 20 1HD1 LEU 20 3.867 -5.511 -1.821
145 HD12 LEU 20 2HD1 LEU 20 3.127 -4.887 -3.299
146 HD13 LEU 20 3HD1 LEU 20 2.805 -6.554 -2.771
147 HD21 LEU 20 3HD2 LEU 20 0.404 -6.122 -2.818
148 HD22 LEU 20 1HD2 LEU 20 0.755 -4.508 -3.414
149 HD23 LEU 20 2HD2 LEU 20 -0.266 -4.715 -1.984
150 H LYS 21 H LYS 21 3.799 -3.546 0.610
151 HA LYS 21 HA LYS 21 1.944 -2.539 2.608
152 HB2 LYS 21 2HB LYS 21 3.941 -3.613 3.777
153 HB3 LYS 21 1HB LYS 21 4.885 -2.304 3.067
154 HG2 LYS 21 2HG LYS 21 4.375 -1.738 5.340
155 HG3 LYS 21 1HG LYS 21 3.447 -0.682 4.273
156 HD2 LYS 21 2HD LYS 21 1.462 -2.022 4.599
157 HD3 LYS 21 1HD LYS 21 2.373 -3.194 5.548
158 HE2 LYS 21 2HE LYS 21 1.828 -0.318 6.293
159 HE3 LYS 21 1HE LYS 21 1.027 -1.727 6.959
160 HZ1 LYS 21 3HZ LYS 21 2.719 -1.005 8.470
161 HZ2 LYS 21 1HZ LYS 21 3.911 -1.066 7.276
162 HZ3 LYS 21 2HZ LYS 21 3.179 -2.478 7.824
163 H CYS 22 H CYS 22 1.601 -0.495 2.389
164 HA CYS 22 HA CYS 22 3.129 1.049 0.478
165 HB2 CYS 22 2HB CYS 22 0.645 1.261 0.531
166 HB3 CYS 22 1HB CYS 22 0.755 1.817 2.198
167 H GLY 23 H GLY 23 5.033 1.481 1.415
168 HA2 GLY 23 2HA GLY 23 5.416 1.904 4.182
169 HA3 GLY 23 1HA GLY 23 6.582 2.258 2.913
170 H SER 24 H SER 24 6.249 3.847 5.154
171 HA SER 24 HA SER 24 4.518 6.026 4.725
172 HB2 SER 24 2HB SER 24 6.106 7.056 6.518
173 HB3 SER 24 1HB SER 24 5.088 5.680 6.951
174 HG SER 24 HG SER 24 6.748 4.426 7.052
175 H ASN 25 H ASN 25 7.539 5.210 3.432
176 HA ASN 25 HA ASN 25 7.896 7.933 2.350
177 HB2 ASN 25 2HB ASN 25 9.905 5.679 2.518
178 HB3 ASN 25 1HB ASN 25 10.210 7.253 1.807
179 HD21 ASN 25 1HD2 ASN 25 10.449 9.013 3.155
180 HD22 ASN 25 2HD2 ASN 25 10.755 8.853 4.841
181 H HIS 26 H HIS 26 6.251 5.391 1.513
182 HA HIS 26 HA HIS 26 7.361 5.069 -1.186
183 HB2 HIS 26 2HB HIS 26 5.239 3.459 0.265
184 HB3 HIS 26 1HB HIS 26 5.666 3.265 -1.439
185 HD1 HIS 26 1HD HIS 26 6.309 0.836 -1.090
186 HD2 HIS 26 2HD HIS 26 8.373 3.553 1.204
187 HE1 HIS 26 1HE HIS 26 8.192 -0.489 -0.023
188 H ASN 27 H ASN 27 5.695 4.899 -2.902
189 HA ASN 27 HA ASN 27 3.284 6.507 -2.435
190 HB2 ASN 27 2HB ASN 27 4.964 7.890 -3.629
191 HB3 ASN 27 1HB ASN 27 5.182 6.606 -4.802
192 HD21 ASN 27 1HD2 ASN 27 2.029 7.680 -3.613
193 HD22 ASN 27 2HD2 ASN 27 1.505 8.344 -5.101
194 H TRP 28 H TRP 28 4.289 3.710 -2.723
195 HA TRP 28 HA TRP 28 2.213 2.659 -4.394
196 HB2 TRP 28 2HB TRP 28 3.860 1.211 -5.693
197 HB3 TRP 28 1HB TRP 28 3.725 2.895 -6.170
198 HD1 TRP 28 HD TRP 28 5.846 1.939 -3.134
199 HE1 TRP 28 1HE TRP 28 8.302 2.352 -3.645
200 HE3 TRP 28 3HE TRP 28 5.465 2.989 -8.117
201 HZ2 TRP 28 2HZ TRP 28 9.879 2.955 -5.824
202 HZ3 TRP 28 3HZ TRP 28 7.533 3.467 -9.359
203 HH2 TRP 28 HH TRP 28 9.703 3.461 -8.244
204 H CYS 29 H CYS 29 1.914 0.494 -4.232
205 HA CYS 29 HA CYS 29 2.565 -0.710 -1.718
206 HB2 CYS 29 2HB CYS 29 1.067 -1.644 -4.142
207 HB3 CYS 29 1HB CYS 29 1.245 -2.627 -2.709
208 H LYS 30 H LYS 30 4.569 -1.489 -1.486
209 HA LYS 30 HA LYS 30 5.618 -3.252 -3.617
210 HB2 LYS 30 2HB LYS 30 7.204 -1.581 -1.661
211 HB3 LYS 30 1HB LYS 30 7.902 -2.836 -2.664
212 HG2 LYS 30 2HG LYS 30 7.187 -1.546 -4.680
213 HG3 LYS 30 1HG LYS 30 6.630 -0.264 -3.610
214 HD2 LYS 30 2HD LYS 30 8.812 0.285 -4.430
215 HD3 LYS 30 1HD LYS 30 8.911 -0.068 -2.708
216 HE2 LYS 30 2HE LYS 30 10.775 -1.039 -3.958
217 HE3 LYS 30 1HE LYS 30 9.798 -2.282 -3.191
218 HZ1 LYS 30 3HZ LYS 30 10.437 -2.814 -5.486
219 HZ2 LYS 30 1HZ LYS 30 9.578 -1.492 -6.050
220 HZ3 LYS 30 2HZ LYS 30 8.779 -2.777 -5.303
221 H LEU 31 H LEU 31 7.005 -5.031 -2.802
222 HA LEU 31 HA LEU 31 5.641 -6.410 -0.714
223 HB2 LEU 31 2HB LEU 31 8.187 -7.037 -2.205
224 HB3 LEU 31 1HB LEU 31 7.489 -8.100 -1.004
225 HG LEU 31 HG LEU 31 6.137 -7.297 -3.585
226 HD11 LEU 31 1HD1 LEU 31 6.604 -9.601 -4.273
227 HD12 LEU 31 2HD1 LEU 31 7.531 -9.848 -2.794
228 HD13 LEU 31 3HD1 LEU 31 8.084 -8.683 -3.999
229 HD21 LEU 31 3HD2 LEU 31 4.572 -9.099 -3.021
230 HD22 LEU 31 1HD2 LEU 31 4.553 -7.830 -1.798
231 HD23 LEU 31 2HD2 LEU 31 5.404 -9.342 -1.487
232 H HIS 32 H HIS 32 6.041 -6.417 1.362
233 HA HIS 32 HA HIS 32 8.625 -5.485 2.304
234 HB2 HIS 32 2HB HIS 32 6.994 -3.565 2.086
235 HB3 HIS 32 1HB HIS 32 6.025 -4.357 3.311
236 HD1 HIS 32 1HD HIS 32 8.832 -2.053 2.931
237 HD2 HIS 32 2HD HIS 32 7.407 -4.595 5.884
238 HE1 HIS 32 1HE HIS 32 9.843 -1.257 5.092
239 H LEU 33 H LEU 33 9.175 -7.226 3.381
240 HA LEU 33 HA LEU 33 7.237 -8.369 5.230
241 HB2 LEU 33 2HB LEU 33 9.482 -9.755 3.743
242 HB3 LEU 33 1HB LEU 33 8.639 -10.473 5.094
243 HG LEU 33 HG LEU 33 7.751 -11.455 3.166
244 HD11 LEU 33 1HD1 LEU 33 6.094 -10.948 4.800
245 HD12 LEU 33 2HD1 LEU 33 5.411 -10.832 3.177
246 HD13 LEU 33 3HD1 LEU 33 5.808 -9.367 4.070
247 HD21 LEU 33 3HD2 LEU 33 8.498 -9.897 1.458
248 HD22 LEU 33 1HD2 LEU 33 7.321 -8.700 2.002
249 HD23 LEU 33 2HD2 LEU 33 6.772 -10.210 1.275
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 -11.394 -3.394 -0.938
2 H2 ASP 1 2HT ASP 1 -10.794 -4.617 -0.006
3 H3 ASP 1 3HT ASP 1 -12.089 -4.942 -1.056
4 HA ASP 1 HA ASP 1 -10.045 -5.791 -1.951
5 HB2 ASP 1 2HB ASP 1 -9.922 -4.530 -4.087
6 HB3 ASP 1 1HB ASP 1 -11.582 -4.841 -3.613
7 H CYS 2 H CYS 2 -7.907 -5.745 -1.929
8 HA CYS 2 HA CYS 2 -6.686 -3.492 -0.576
9 HB2 CYS 2 2HB CYS 2 -4.719 -4.997 -0.387
10 HB3 CYS 2 1HB CYS 2 -6.182 -5.654 0.333
11 H LEU 3 H LEU 3 -4.613 -2.679 -1.311
12 HA LEU 3 HA LEU 3 -4.520 -2.302 -4.180
13 HB2 LEU 3 2HB LEU 3 -2.650 -1.298 -2.027
14 HB3 LEU 3 1HB LEU 3 -2.690 -0.785 -3.691
15 HG LEU 3 HG LEU 3 -4.918 -0.345 -1.735
16 HD11 LEU 3 1HD1 LEU 3 -4.124 1.983 -1.712
17 HD12 LEU 3 2HD1 LEU 3 -2.773 1.512 -2.744
18 HD13 LEU 3 3HD1 LEU 3 -2.893 0.870 -1.104
19 HD21 LEU 3 3HD2 LEU 3 -4.380 0.824 -4.455
20 HD22 LEU 3 1HD2 LEU 3 -5.759 1.195 -3.421
21 HD23 LEU 3 2HD2 LEU 3 -5.563 -0.428 -4.109
22 H LYS 4 H LYS 4 -3.083 -3.235 -5.461
23 HA LYS 4 HA LYS 4 -1.595 -5.461 -4.319
24 HB2 LYS 4 2HB LYS 4 -2.239 -4.818 -7.192
25 HB3 LYS 4 1HB LYS 4 -1.332 -6.225 -6.662
26 HG2 LYS 4 2HG LYS 4 -3.307 -6.945 -5.349
27 HG3 LYS 4 1HG LYS 4 -4.203 -5.581 -6.015
28 HD2 LYS 4 2HD LYS 4 -4.712 -7.609 -7.262
29 HD3 LYS 4 1HD LYS 4 -3.831 -6.470 -8.281
30 HE2 LYS 4 2HE LYS 4 -1.777 -7.700 -7.956
31 HE3 LYS 4 1HE LYS 4 -2.566 -8.788 -6.815
32 HZ1 LYS 4 3HZ LYS 4 -3.909 -9.630 -8.578
33 HZ2 LYS 4 1HZ LYS 4 -2.290 -9.726 -9.025
34 HZ3 LYS 4 2HZ LYS 4 -3.256 -8.523 -9.690
35 H PHE 5 H PHE 5 0.463 -5.943 -5.869
36 HA PHE 5 HA PHE 5 2.364 -4.105 -4.935
37 HB2 PHE 5 2HB PHE 5 2.838 -6.515 -5.364
38 HB3 PHE 5 1HB PHE 5 2.712 -6.200 -7.088
39 HD1 PHE 5 2HD PHE 5 4.702 -5.483 -4.062
40 HD2 PHE 5 1HD PHE 5 4.544 -5.313 -8.312
41 HE1 PHE 5 2HE PHE 5 7.094 -4.959 -4.123
42 HE2 PHE 5 1HE PHE 5 6.945 -4.785 -8.375
43 HZ PHE 5 HZ PHE 5 8.222 -4.612 -6.270
44 H GLY 6 H GLY 6 3.049 -2.303 -5.704
45 HA2 GLY 6 2HA GLY 6 3.759 -0.769 -7.275
46 HA3 GLY 6 1HA GLY 6 3.117 -1.809 -8.538
47 H TRP 7 H TRP 7 0.765 -1.372 -6.153
48 HA TRP 7 HA TRP 7 -0.628 0.417 -7.938
49 HB2 TRP 7 2HB TRP 7 -1.467 -1.077 -5.470
50 HB3 TRP 7 1HB TRP 7 -2.490 0.166 -6.178
51 HD1 TRP 7 HD TRP 7 -0.543 -2.318 -8.378
52 HE1 TRP 7 1HE TRP 7 -2.245 -3.832 -9.588
53 HE3 TRP 7 3HE TRP 7 -4.809 -0.785 -6.045
54 HZ2 TRP 7 2HZ TRP 7 -5.005 -4.307 -9.554
55 HZ3 TRP 7 3HZ TRP 7 -6.942 -1.819 -6.686
56 HH2 TRP 7 HH TRP 7 -7.040 -3.545 -8.406
57 H LYS 8 H LYS 8 -1.283 2.391 -7.507
58 HA LYS 8 HA LYS 8 0.361 4.078 -5.983
59 HB2 LYS 8 2HB LYS 8 -0.773 4.877 -7.924
60 HB3 LYS 8 1HB LYS 8 -2.340 4.436 -7.264
61 HG2 LYS 8 2HG LYS 8 -2.131 6.799 -7.168
62 HG3 LYS 8 1HG LYS 8 -1.992 6.179 -5.526
63 HD2 LYS 8 2HD LYS 8 0.440 6.375 -5.664
64 HD3 LYS 8 1HD LYS 8 0.288 7.008 -7.306
65 HE2 LYS 8 2HE LYS 8 -0.820 8.253 -4.798
66 HE3 LYS 8 1HE LYS 8 0.572 8.822 -5.717
67 HZ1 LYS 8 3HZ LYS 8 -1.319 10.127 -6.295
68 HZ2 LYS 8 1HZ LYS 8 -2.256 8.764 -6.620
69 HZ3 LYS 8 2HZ LYS 8 -0.958 9.148 -7.616
70 H CYS 9 H CYS 9 0.228 4.720 -3.953
71 HA CYS 9 HA CYS 9 -2.239 4.269 -2.450
72 HB2 CYS 9 2HB CYS 9 -0.940 3.286 -0.610
73 HB3 CYS 9 1HB CYS 9 -0.837 2.307 -2.072
74 H ASN 10 H ASN 10 -2.242 5.449 -0.425
75 HA ASN 10 HA ASN 10 -0.571 7.833 -0.476
76 HB2 ASN 10 2HB ASN 10 -3.135 7.181 1.028
77 HB3 ASN 10 1HB ASN 10 -2.219 8.661 1.262
78 HD21 ASN 10 1HD2 ASN 10 -4.971 8.239 0.283
79 HD22 ASN 10 2HD2 ASN 10 -5.032 8.964 -1.274
80 HA PRO 11 HA PRO 11 2.051 5.400 2.121
81 HB2 PRO 11 2HB PRO 11 3.469 7.594 3.166
82 HB3 PRO 11 1HB PRO 11 3.904 6.609 1.771
83 HG2 PRO 11 2HG PRO 11 2.562 9.245 1.883
84 HG3 PRO 11 1HG PRO 11 3.631 8.583 0.639
85 HD2 PRO 11 2HD PRO 11 0.979 8.816 0.297
86 HD3 PRO 11 1HD PRO 11 1.899 7.483 -0.430
87 H ARG 12 H ARG 12 0.206 8.023 3.488
88 HA ARG 12 HA ARG 12 0.815 7.406 6.221
89 HB2 ARG 12 2HB ARG 12 -1.457 8.925 5.014
90 HB3 ARG 12 1HB ARG 12 -1.175 8.769 6.739
91 HG2 ARG 12 2HG ARG 12 0.986 9.871 6.465
92 HG3 ARG 12 1HG ARG 12 0.667 10.060 4.740
93 HD2 ARG 12 2HD ARG 12 -0.956 11.139 7.001
94 HD3 ARG 12 1HD ARG 12 0.131 12.083 5.977
95 HE ARG 12 HE ARG 12 -1.754 10.777 4.369
96 HH11 ARG 12 1HH1 ARG 12 -1.612 13.373 6.740
97 HH12 ARG 12 2HH1 ARG 12 -2.959 14.219 6.135
98 HH21 ARG 12 1HH2 ARG 12 -3.654 11.922 3.536
99 HH22 ARG 12 2HH2 ARG 12 -4.142 13.362 4.285
100 H ASN 13 H ASN 13 -1.589 6.314 3.949
101 HA ASN 13 HA ASN 13 -2.772 4.676 6.080
102 HB2 ASN 13 2HB ASN 13 -4.274 6.534 5.439
103 HB3 ASN 13 1HB ASN 13 -4.233 5.980 3.773
104 HD21 ASN 13 1HD2 ASN 13 -6.450 5.717 3.767
105 HD22 ASN 13 2HD2 ASN 13 -7.248 4.419 4.574
106 H ASP 14 H ASP 14 -1.869 2.795 5.660
107 HA ASP 14 HA ASP 14 -1.299 1.867 3.012
108 HB2 ASP 14 2HB ASP 14 0.084 1.220 4.965
109 HB3 ASP 14 1HB ASP 14 -1.291 0.319 5.601
110 H LYS 15 H LYS 15 -2.578 0.793 1.713
111 HA LYS 15 HA LYS 15 -4.907 -0.631 2.815
112 HB2 LYS 15 2HB LYS 15 -4.785 0.941 0.231
113 HB3 LYS 15 1HB LYS 15 -6.180 0.046 0.802
114 HG2 LYS 15 2HG LYS 15 -4.979 2.521 2.052
115 HG3 LYS 15 1HG LYS 15 -6.480 2.441 1.137
116 HD2 LYS 15 2HD LYS 15 -5.932 1.021 3.733
117 HD3 LYS 15 1HD LYS 15 -6.823 2.531 3.582
118 HE2 LYS 15 2HE LYS 15 -8.549 1.424 2.293
119 HE3 LYS 15 1HE LYS 15 -7.632 -0.078 2.284
120 HZ1 LYS 15 3HZ LYS 15 -8.670 1.242 4.733
121 HZ2 LYS 15 1HZ LYS 15 -7.873 -0.238 4.645
122 HZ3 LYS 15 2HZ LYS 15 -9.405 -0.059 3.952
123 H CYS 16 H CYS 16 -2.104 -1.362 1.954
124 HA CYS 16 HA CYS 16 -2.497 -2.654 -0.591
125 HB2 CYS 16 2HB CYS 16 -0.064 -2.762 1.204
126 HB3 CYS 16 1HB CYS 16 -0.133 -3.142 -0.513
127 H CYS 17 H CYS 17 -2.045 -4.948 -0.890
128 HA CYS 17 HA CYS 17 -3.624 -6.572 0.716
129 HB2 CYS 17 2HB CYS 17 -1.487 -7.424 -1.237
130 HB3 CYS 17 1HB CYS 17 -2.803 -8.431 -0.648
131 H SER 18 H SER 18 -2.903 -8.712 1.687
132 HA SER 18 HA SER 18 -1.267 -8.200 3.902
133 HB2 SER 18 2HB SER 18 -2.300 -10.825 2.835
134 HB3 SER 18 1HB SER 18 -1.769 -10.506 4.493
135 HG SER 18 HG SER 18 -4.116 -9.849 3.207
136 H GLY 19 H GLY 19 0.876 -8.234 3.999
137 HA2 GLY 19 2HA GLY 19 3.004 -9.220 3.759
138 HA3 GLY 19 1HA GLY 19 2.402 -10.129 2.373
139 H LEU 20 H LEU 20 1.338 -6.962 2.325
140 HA LEU 20 HA LEU 20 3.482 -6.089 0.539
141 HB2 LEU 20 2HB LEU 20 1.146 -7.058 -0.304
142 HB3 LEU 20 1HB LEU 20 0.614 -5.450 0.114
143 HG LEU 20 HG LEU 20 2.354 -4.567 -1.450
144 HD11 LEU 20 1HD1 LEU 20 3.185 -6.209 -3.112
145 HD12 LEU 20 2HD1 LEU 20 2.522 -7.503 -2.098
146 HD13 LEU 20 3HD1 LEU 20 3.816 -6.481 -1.484
147 HD21 LEU 20 3HD2 LEU 20 0.280 -6.433 -2.554
148 HD22 LEU 20 1HD2 LEU 20 1.054 -5.103 -3.410
149 HD23 LEU 20 2HD2 LEU 20 0.002 -4.768 -2.033
150 H LYS 21 H LYS 21 3.690 -3.713 0.667
151 HA LYS 21 HA LYS 21 1.921 -2.359 2.511
152 HB2 LYS 21 2HB LYS 21 3.813 -3.407 3.854
153 HB3 LYS 21 1HB LYS 21 4.866 -2.248 3.048
154 HG2 LYS 21 2HG LYS 21 3.375 -0.431 3.835
155 HG3 LYS 21 1HG LYS 21 2.513 -1.622 4.796
156 HD2 LYS 21 2HD LYS 21 4.610 -2.108 5.991
157 HD3 LYS 21 1HD LYS 21 5.404 -0.829 5.058
158 HE2 LYS 21 2HE LYS 21 3.089 -0.540 6.960
159 HE3 LYS 21 1HE LYS 21 4.715 0.115 7.151
160 HZ1 LYS 21 3HZ LYS 21 2.745 0.931 5.064
161 HZ2 LYS 21 1HZ LYS 21 4.319 1.532 5.203
162 HZ3 LYS 21 2HZ LYS 21 3.196 1.830 6.412
163 H CYS 22 H CYS 22 1.810 -0.274 2.189
164 HA CYS 22 HA CYS 22 2.854 0.954 -0.168
165 HB2 CYS 22 2HB CYS 22 0.648 1.524 0.781
166 HB3 CYS 22 1HB CYS 22 1.432 2.128 2.235
167 H GLY 23 H GLY 23 4.740 1.910 -0.373
168 HA2 GLY 23 2HA GLY 23 6.537 1.964 1.827
169 HA3 GLY 23 1HA GLY 23 6.913 2.507 0.206
170 H SER 24 H SER 24 7.538 3.651 2.782
171 HA SER 24 HA SER 24 5.960 5.976 3.199
172 HB2 SER 24 2HB SER 24 7.982 6.495 4.687
173 HB3 SER 24 1HB SER 24 7.046 5.044 5.067
174 HG SER 24 HG SER 24 9.185 4.508 5.066
175 H ASN 25 H ASN 25 8.979 5.213 1.627
176 HA ASN 25 HA ASN 25 9.294 7.973 0.683
177 HB2 ASN 25 2HB ASN 25 11.241 5.652 0.648
178 HB3 ASN 25 1HB ASN 25 11.565 7.228 -0.051
179 HD21 ASN 25 1HD2 ASN 25 10.262 8.709 2.138
180 HD22 ASN 25 2HD2 ASN 25 11.311 8.564 3.490
181 H HIS 26 H HIS 26 7.717 5.426 -0.196
182 HA HIS 26 HA HIS 26 8.253 5.751 -3.054
183 HB2 HIS 26 2HB HIS 26 7.061 3.308 -1.644
184 HB3 HIS 26 1HB HIS 26 7.236 3.513 -3.369
185 HD1 HIS 26 1HD HIS 26 9.268 2.650 -0.284
186 HD2 HIS 26 2HD HIS 26 9.719 3.220 -4.367
187 HE1 HIS 26 1HE HIS 26 11.527 1.766 -0.839
188 H ASN 27 H ASN 27 6.036 5.139 -4.225
189 HA ASN 27 HA ASN 27 3.888 6.483 -2.729
190 HB2 ASN 27 2HB ASN 27 5.167 7.968 -4.407
191 HB3 ASN 27 1HB ASN 27 4.460 6.959 -5.656
192 HD21 ASN 27 1HD2 ASN 27 2.805 7.972 -2.720
193 HD22 ASN 27 2HD2 ASN 27 1.667 8.992 -3.513
194 H TRP 28 H TRP 28 4.619 3.736 -3.408
195 HA TRP 28 HA TRP 28 2.065 2.902 -4.381
196 HB2 TRP 28 2HB TRP 28 3.001 1.301 -6.074
197 HB3 TRP 28 1HB TRP 28 3.233 2.976 -6.471
198 HD1 TRP 28 HD TRP 28 5.551 0.718 -4.303
199 HE1 TRP 28 1HE TRP 28 7.894 0.734 -5.417
200 HE3 TRP 28 3HE TRP 28 4.491 3.496 -8.387
201 HZ2 TRP 28 2HZ TRP 28 9.075 1.725 -7.628
202 HZ3 TRP 28 3HZ TRP 28 6.311 3.963 -10.019
203 HH2 TRP 28 HH TRP 28 8.567 3.093 -9.650
204 H CYS 29 H CYS 29 1.850 0.565 -4.196
205 HA CYS 29 HA CYS 29 2.726 -0.386 -1.633
206 HB2 CYS 29 2HB CYS 29 1.146 -1.644 -3.838
207 HB3 CYS 29 1HB CYS 29 1.380 -2.443 -2.311
208 H LYS 30 H LYS 30 4.585 -1.382 -1.251
209 HA LYS 30 HA LYS 30 5.718 -3.109 -3.335
210 HB2 LYS 30 2HB LYS 30 7.191 -1.680 -1.103
211 HB3 LYS 30 1HB LYS 30 7.913 -2.770 -2.273
212 HG2 LYS 30 2HG LYS 30 7.207 -1.127 -4.072
213 HG3 LYS 30 1HG LYS 30 6.767 -0.037 -2.761
214 HD2 LYS 30 2HD LYS 30 8.942 0.537 -3.485
215 HD3 LYS 30 1HD LYS 30 9.099 -0.255 -1.918
216 HE2 LYS 30 2HE LYS 30 9.742 -2.346 -3.019
217 HE3 LYS 30 1HE LYS 30 9.491 -1.581 -4.591
218 HZ1 LYS 30 3HZ LYS 30 11.578 -0.809 -2.607
219 HZ2 LYS 30 1HZ LYS 30 11.269 -0.032 -4.069
220 HZ3 LYS 30 2HZ LYS 30 11.809 -1.587 -4.079
221 H LEU 31 H LEU 31 7.515 -4.420 -1.570
222 HA LEU 31 HA LEU 31 5.664 -6.293 -0.436
223 HB2 LEU 31 2HB LEU 31 8.667 -6.191 -0.328
224 HB3 LEU 31 1HB LEU 31 7.673 -7.566 0.111
225 HG LEU 31 HG LEU 31 7.917 -6.386 -2.655
226 HD11 LEU 31 1HD1 LEU 31 9.002 -8.932 -1.498
227 HD12 LEU 31 2HD1 LEU 31 9.938 -7.508 -1.965
228 HD13 LEU 31 3HD1 LEU 31 9.080 -8.444 -3.189
229 HD21 LEU 31 3HD2 LEU 31 6.448 -8.842 -1.692
230 HD22 LEU 31 1HD2 LEU 31 6.673 -8.365 -3.375
231 HD23 LEU 31 2HD2 LEU 31 5.716 -7.354 -2.300
232 H HIS 32 H HIS 32 5.357 -6.785 1.711
233 HA HIS 32 HA HIS 32 5.886 -4.679 3.608
234 HB2 HIS 32 2HB HIS 32 3.761 -6.016 3.600
235 HB3 HIS 32 1HB HIS 32 4.697 -7.434 4.036
236 HD1 HIS 32 1HD HIS 32 5.164 -7.771 6.561
237 HD2 HIS 32 2HD HIS 32 3.486 -4.072 5.657
238 HE1 HIS 32 1HE HIS 32 4.511 -6.737 8.744
239 H LEU 33 H LEU 33 7.870 -4.531 4.306
240 HA LEU 33 HA LEU 33 9.533 -6.881 4.596
241 HB2 LEU 33 2HB LEU 33 10.202 -3.966 5.048
242 HB3 LEU 33 1HB LEU 33 11.342 -5.290 4.998
243 HG LEU 33 HG LEU 33 9.726 -4.242 2.676
244 HD11 LEU 33 1HD1 LEU 33 11.902 -3.590 1.779
245 HD12 LEU 33 2HD1 LEU 33 12.669 -4.121 3.276
246 HD13 LEU 33 3HD1 LEU 33 11.532 -2.773 3.295
247 HD21 LEU 33 3HD2 LEU 33 11.004 -5.801 1.297
248 HD22 LEU 33 1HD2 LEU 33 10.030 -6.662 2.485
249 HD23 LEU 33 2HD2 LEU 33 11.767 -6.469 2.739
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 -11.254 -2.931 -1.527
2 H2 ASP 1 2HT ASP 1 -12.094 -3.908 -2.612
3 H3 ASP 1 3HT ASP 1 -10.864 -2.865 -3.162
4 HA ASP 1 HA ASP 1 -10.453 -5.086 -1.283
5 HB2 ASP 1 2HB ASP 1 -9.718 -4.881 -4.229
6 HB3 ASP 1 1HB ASP 1 -9.141 -6.135 -3.146
7 H CYS 2 H CYS 2 -7.908 -5.597 -1.653
8 HA CYS 2 HA CYS 2 -6.657 -3.213 -0.664
9 HB2 CYS 2 2HB CYS 2 -4.752 -4.746 -0.258
10 HB3 CYS 2 1HB CYS 2 -6.251 -5.244 0.518
11 H LEU 3 H LEU 3 -4.670 -2.439 -1.442
12 HA LEU 3 HA LEU 3 -4.534 -2.291 -4.303
13 HB2 LEU 3 2HB LEU 3 -2.627 -1.218 -2.223
14 HB3 LEU 3 1HB LEU 3 -2.704 -0.773 -3.907
15 HG LEU 3 HG LEU 3 -4.919 -0.248 -1.947
16 HD11 LEU 3 1HD1 LEU 3 -4.132 2.058 -1.998
17 HD12 LEU 3 2HD1 LEU 3 -2.761 1.559 -2.995
18 HD13 LEU 3 3HD1 LEU 3 -2.911 0.967 -1.338
19 HD21 LEU 3 3HD2 LEU 3 -4.372 0.732 -4.738
20 HD22 LEU 3 1HD2 LEU 3 -5.687 1.278 -3.696
21 HD23 LEU 3 2HD2 LEU 3 -5.639 -0.398 -4.256
22 H LYS 4 H LYS 4 -3.108 -3.264 -5.571
23 HA LYS 4 HA LYS 4 -1.640 -5.490 -4.420
24 HB2 LYS 4 2HB LYS 4 -2.350 -4.815 -7.257
25 HB3 LYS 4 1HB LYS 4 -1.300 -6.152 -6.836
26 HG2 LYS 4 2HG LYS 4 -3.161 -7.087 -5.469
27 HG3 LYS 4 1HG LYS 4 -4.188 -5.795 -6.100
28 HD2 LYS 4 2HD LYS 4 -3.902 -6.567 -8.341
29 HD3 LYS 4 1HD LYS 4 -2.676 -7.728 -7.837
30 HE2 LYS 4 2HE LYS 4 -4.402 -8.874 -6.474
31 HE3 LYS 4 1HE LYS 4 -5.604 -7.764 -7.128
32 HZ1 LYS 4 3HZ LYS 4 -5.163 -8.592 -9.325
33 HZ2 LYS 4 1HZ LYS 4 -5.541 -9.881 -8.316
34 HZ3 LYS 4 2HZ LYS 4 -3.940 -9.607 -8.752
35 H PHE 5 H PHE 5 0.377 -6.027 -5.954
36 HA PHE 5 HA PHE 5 2.370 -4.272 -5.061
37 HB2 PHE 5 2HB PHE 5 2.698 -6.698 -5.351
38 HB3 PHE 5 1HB PHE 5 2.517 -6.509 -7.088
39 HD1 PHE 5 1HD PHE 5 4.541 -5.027 -4.336
40 HD2 PHE 5 2HD PHE 5 4.455 -6.543 -8.302
41 HE1 PHE 5 1HE PHE 5 6.968 -4.705 -4.505
42 HE2 PHE 5 2HE PHE 5 6.886 -6.215 -8.484
43 HZ PHE 5 HZ PHE 5 8.145 -5.293 -6.573
44 H GLY 6 H GLY 6 2.944 -2.456 -5.867
45 HA2 GLY 6 2HA GLY 6 3.778 -1.060 -7.550
46 HA3 GLY 6 1HA GLY 6 3.003 -2.082 -8.754
47 H TRP 7 H TRP 7 0.749 -1.565 -6.354
48 HA TRP 7 HA TRP 7 -0.545 0.359 -8.072
49 HB2 TRP 7 2HB TRP 7 -1.471 -1.132 -5.626
50 HB3 TRP 7 1HB TRP 7 -2.434 0.154 -6.344
51 HD1 TRP 7 HD TRP 7 -0.556 -2.387 -8.521
52 HE1 TRP 7 1HE TRP 7 -2.267 -3.846 -9.753
53 HE3 TRP 7 3HE TRP 7 -4.813 -0.720 -6.254
54 HZ2 TRP 7 2HZ TRP 7 -5.064 -4.243 -9.763
55 HZ3 TRP 7 3HZ TRP 7 -6.966 -1.692 -6.926
56 HH2 TRP 7 HH TRP 7 -7.090 -3.417 -8.646
57 H LYS 8 H LYS 8 -1.197 2.398 -7.462
58 HA LYS 8 HA LYS 8 0.636 3.738 -5.758
59 HB2 LYS 8 2HB LYS 8 -1.902 4.759 -7.038
60 HB3 LYS 8 1HB LYS 8 -0.698 5.758 -6.241
61 HG2 LYS 8 2HG LYS 8 -0.322 4.145 -8.754
62 HG3 LYS 8 1HG LYS 8 -0.452 5.901 -8.640
63 HD2 LYS 8 2HD LYS 8 1.612 5.894 -7.251
64 HD3 LYS 8 1HD LYS 8 1.744 4.159 -7.531
65 HE2 LYS 8 2HE LYS 8 1.800 4.598 -9.965
66 HE3 LYS 8 1HE LYS 8 1.811 6.325 -9.619
67 HZ1 LYS 8 3HZ LYS 8 3.858 4.362 -8.785
68 HZ2 LYS 8 1HZ LYS 8 3.881 6.005 -8.395
69 HZ3 LYS 8 2HZ LYS 8 4.043 5.496 -10.001
70 H CYS 9 H CYS 9 0.488 4.154 -3.734
71 HA CYS 9 HA CYS 9 -2.049 3.672 -2.351
72 HB2 CYS 9 2HB CYS 9 -0.700 2.914 -0.443
73 HB3 CYS 9 1HB CYS 9 -0.373 1.932 -1.868
74 H ASN 10 H ASN 10 -2.036 4.843 -0.248
75 HA ASN 10 HA ASN 10 -0.822 7.474 -0.559
76 HB2 ASN 10 2HB ASN 10 -3.305 6.592 0.944
77 HB3 ASN 10 1HB ASN 10 -2.575 8.173 1.170
78 HD21 ASN 10 1HD2 ASN 10 -5.226 7.462 0.179
79 HD22 ASN 10 2HD2 ASN 10 -5.345 8.163 -1.393
80 HA PRO 11 HA PRO 11 1.925 5.672 2.475
81 HB2 PRO 11 2HB PRO 11 3.269 8.012 3.051
82 HB3 PRO 11 1HB PRO 11 3.646 6.930 1.708
83 HG2 PRO 11 2HG PRO 11 2.009 9.428 1.727
84 HG3 PRO 11 1HG PRO 11 3.198 8.887 0.527
85 HD2 PRO 11 2HD PRO 11 0.610 8.671 0.064
86 HD3 PRO 11 1HD PRO 11 1.716 7.375 -0.431
87 H ARG 12 H ARG 12 -0.328 8.136 3.122
88 HA ARG 12 HA ARG 12 0.151 8.469 5.915
89 HB2 ARG 12 2HB ARG 12 -2.328 8.900 4.251
90 HB3 ARG 12 1HB ARG 12 -2.252 9.256 5.964
91 HG2 ARG 12 2HG ARG 12 -0.511 10.531 3.862
92 HG3 ARG 12 1HG ARG 12 -1.979 11.243 4.534
93 HD2 ARG 12 2HD ARG 12 -0.924 11.122 6.786
94 HD3 ARG 12 1HD ARG 12 0.565 10.574 6.013
95 HE ARG 12 HE ARG 12 -0.126 12.867 4.720
96 HH11 ARG 12 1HH1 ARG 12 0.667 12.025 8.076
97 HH12 ARG 12 2HH1 ARG 12 1.207 13.592 8.467
98 HH21 ARG 12 1HH2 ARG 12 0.604 15.006 5.291
99 HH22 ARG 12 2HH2 ARG 12 1.200 15.293 6.869
100 H ASN 13 H ASN 13 -1.912 6.274 4.010
101 HA ASN 13 HA ASN 13 -2.110 4.580 6.293
102 HB2 ASN 13 2HB ASN 13 -4.607 4.304 5.943
103 HB3 ASN 13 1HB ASN 13 -4.051 5.796 6.690
104 HD21 ASN 13 1HD2 ASN 13 -5.930 6.860 6.199
105 HD22 ASN 13 2HD2 ASN 13 -6.355 7.361 4.602
106 H ASP 14 H ASP 14 -1.700 2.652 5.793
107 HA ASP 14 HA ASP 14 -1.193 1.854 3.109
108 HB2 ASP 14 2HB ASP 14 0.085 1.109 5.127
109 HB3 ASP 14 1HB ASP 14 -1.306 0.145 5.589
110 H LYS 15 H LYS 15 -2.659 1.173 1.748
111 HA LYS 15 HA LYS 15 -4.956 -0.394 2.733
112 HB2 LYS 15 2HB LYS 15 -4.780 1.415 0.307
113 HB3 LYS 15 1HB LYS 15 -6.163 0.422 0.708
114 HG2 LYS 15 2HG LYS 15 -5.108 2.647 2.458
115 HG3 LYS 15 1HG LYS 15 -6.425 2.833 1.307
116 HD2 LYS 15 2HD LYS 15 -6.418 0.924 3.648
117 HD3 LYS 15 1HD LYS 15 -7.196 2.503 3.630
118 HE2 LYS 15 2HE LYS 15 -7.877 0.188 1.800
119 HE3 LYS 15 1HE LYS 15 -8.792 0.690 3.212
120 HZ1 LYS 15 3HZ LYS 15 -8.380 2.343 0.767
121 HZ2 LYS 15 1HZ LYS 15 -9.236 2.803 2.149
122 HZ3 LYS 15 2HZ LYS 15 -9.781 1.517 1.223
123 H CYS 16 H CYS 16 -2.167 -1.100 1.848
124 HA CYS 16 HA CYS 16 -2.493 -2.431 -0.694
125 HB2 CYS 16 2HB CYS 16 -0.209 -2.575 1.289
126 HB3 CYS 16 1HB CYS 16 -0.161 -3.080 -0.392
127 H CYS 17 H CYS 17 -2.071 -4.751 -0.870
128 HA CYS 17 HA CYS 17 -3.689 -6.276 0.828
129 HB2 CYS 17 2HB CYS 17 -1.604 -7.171 -1.159
130 HB3 CYS 17 1HB CYS 17 -2.819 -8.217 -0.436
131 H SER 18 H SER 18 -2.984 -8.299 1.952
132 HA SER 18 HA SER 18 -1.149 -7.742 3.989
133 HB2 SER 18 2HB SER 18 -2.407 -10.359 3.134
134 HB3 SER 18 1HB SER 18 -1.675 -10.032 4.706
135 HG SER 18 HG SER 18 -4.179 -9.645 4.092
136 H GLY 19 H GLY 19 1.005 -8.221 4.157
137 HA2 GLY 19 2HA GLY 19 3.021 -9.323 3.705
138 HA3 GLY 19 1HA GLY 19 2.256 -10.137 2.343
139 H LEU 20 H LEU 20 1.379 -7.013 2.215
140 HA LEU 20 HA LEU 20 3.546 -6.202 0.423
141 HB2 LEU 20 2HB LEU 20 1.144 -6.978 -0.396
142 HB3 LEU 20 1HB LEU 20 0.682 -5.394 0.177
143 HG LEU 20 HG LEU 20 2.378 -4.432 -1.394
144 HD11 LEU 20 1HD1 LEU 20 3.728 -6.435 -1.610
145 HD12 LEU 20 2HD1 LEU 20 3.132 -5.916 -3.197
146 HD13 LEU 20 3HD1 LEU 20 2.379 -7.278 -2.356
147 HD21 LEU 20 3HD2 LEU 20 0.199 -6.137 -2.552
148 HD22 LEU 20 1HD2 LEU 20 0.978 -4.766 -3.331
149 HD23 LEU 20 2HD2 LEU 20 -0.007 -4.517 -1.888
150 H LYS 21 H LYS 21 3.829 -3.810 0.559
151 HA LYS 21 HA LYS 21 2.337 -2.503 2.672
152 HB2 LYS 21 2HB LYS 21 4.198 -3.567 3.850
153 HB3 LYS 21 1HB LYS 21 5.335 -2.756 2.768
154 HG2 LYS 21 2HG LYS 21 4.553 -0.594 3.612
155 HG3 LYS 21 1HG LYS 21 3.471 -1.434 4.718
156 HD2 LYS 21 2HD LYS 21 5.357 -2.442 5.841
157 HD3 LYS 21 1HD LYS 21 6.477 -1.689 4.697
158 HE2 LYS 21 2HE LYS 21 4.664 -0.294 6.668
159 HE3 LYS 21 1HE LYS 21 6.420 -0.418 6.738
160 HZ1 LYS 21 3HZ LYS 21 5.792 1.721 5.892
161 HZ2 LYS 21 1HZ LYS 21 4.857 1.044 4.666
162 HZ3 LYS 21 2HZ LYS 21 6.518 0.854 4.646
163 H CYS 22 H CYS 22 2.217 -0.425 2.464
164 HA CYS 22 HA CYS 22 3.087 0.883 0.037
165 HB2 CYS 22 2HB CYS 22 0.865 1.343 1.000
166 HB3 CYS 22 1HB CYS 22 1.614 1.912 2.483
167 H GLY 23 H GLY 23 4.851 2.183 -0.129
168 HA2 GLY 23 2HA GLY 23 6.608 2.337 2.146
169 HA3 GLY 23 1HA GLY 23 6.990 3.007 0.581
170 H SER 24 H SER 24 7.056 3.985 3.363
171 HA SER 24 HA SER 24 5.041 5.970 3.655
172 HB2 SER 24 2HB SER 24 6.596 6.784 5.493
173 HB3 SER 24 1HB SER 24 6.003 5.130 5.636
174 HG SER 24 HG SER 24 7.974 4.548 5.681
175 H ASN 25 H ASN 25 8.267 5.937 2.383
176 HA ASN 25 HA ASN 25 8.097 8.798 1.738
177 HB2 ASN 25 2HB ASN 25 10.460 6.898 1.615
178 HB3 ASN 25 1HB ASN 25 10.518 8.584 1.121
179 HD21 ASN 25 1HD2 ASN 25 11.992 7.166 3.201
180 HD22 ASN 25 2HD2 ASN 25 11.663 7.999 4.674
181 H HIS 26 H HIS 26 6.885 6.274 0.487
182 HA HIS 26 HA HIS 26 7.575 6.952 -2.269
183 HB2 HIS 26 2HB HIS 26 7.024 4.177 -1.142
184 HB3 HIS 26 1HB HIS 26 7.123 4.544 -2.853
185 HD1 HIS 26 1HD HIS 26 9.227 3.746 0.109
186 HD2 HIS 26 2HD HIS 26 9.644 5.291 -3.701
187 HE1 HIS 26 1HE HIS 26 11.670 3.615 -0.391
188 H ASN 27 H ASN 27 5.624 5.639 -3.569
189 HA ASN 27 HA ASN 27 3.100 6.297 -2.232
190 HB2 ASN 27 2HB ASN 27 4.040 7.397 -4.865
191 HB3 ASN 27 1HB ASN 27 2.325 7.229 -4.511
192 HD21 ASN 27 1HD2 ASN 27 1.399 8.543 -2.970
193 HD22 ASN 27 2HD2 ASN 27 2.206 9.941 -2.361
194 H TRP 28 H TRP 28 4.511 3.844 -2.944
195 HA TRP 28 HA TRP 28 2.352 2.668 -4.441
196 HB2 TRP 28 2HB TRP 28 3.975 1.263 -5.771
197 HB3 TRP 28 1HB TRP 28 3.835 2.944 -6.237
198 HD1 TRP 28 HD TRP 28 6.063 1.864 -3.297
199 HE1 TRP 28 1HE TRP 28 8.527 2.241 -3.918
200 HE3 TRP 28 3HE TRP 28 5.506 3.194 -8.202
201 HZ2 TRP 28 2HZ TRP 28 10.009 2.967 -6.086
202 HZ3 TRP 28 3HZ TRP 28 7.532 3.728 -9.495
203 HH2 TRP 28 HH TRP 28 9.745 3.626 -8.468
204 H CYS 29 H CYS 29 2.072 0.539 -4.209
205 HA CYS 29 HA CYS 29 2.786 -0.561 -1.637
206 HB2 CYS 29 2HB CYS 29 1.134 -1.567 -3.930
207 HB3 CYS 29 1HB CYS 29 1.299 -2.489 -2.467
208 H LYS 30 H LYS 30 4.688 -1.543 -1.396
209 HA LYS 30 HA LYS 30 5.750 -3.160 -3.612
210 HB2 LYS 30 2HB LYS 30 7.233 -1.836 -1.325
211 HB3 LYS 30 1HB LYS 30 7.983 -2.836 -2.554
212 HG2 LYS 30 2HG LYS 30 6.571 -0.218 -3.076
213 HG3 LYS 30 1HG LYS 30 8.312 -0.406 -2.941
214 HD2 LYS 30 2HD LYS 30 6.618 -1.826 -5.004
215 HD3 LYS 30 1HD LYS 30 7.438 -0.293 -5.282
216 HE2 LYS 30 2HE LYS 30 9.577 -1.327 -4.840
217 HE3 LYS 30 1HE LYS 30 8.793 -2.874 -4.500
218 HZ1 LYS 30 3HZ LYS 30 9.645 -2.877 -6.732
219 HZ2 LYS 30 1HZ LYS 30 8.860 -1.430 -7.085
220 HZ3 LYS 30 2HZ LYS 30 7.958 -2.807 -6.822
221 H LEU 31 H LEU 31 7.332 -4.925 -2.495
222 HA LEU 31 HA LEU 31 5.553 -6.621 -1.020
223 HB2 LEU 31 2HB LEU 31 8.518 -6.926 -1.527
224 HB3 LEU 31 1HB LEU 31 7.447 -8.173 -0.938
225 HG LEU 31 HG LEU 31 7.329 -6.929 -3.689
226 HD11 LEU 31 1HD1 LEU 31 8.295 -9.636 -2.788
227 HD12 LEU 31 2HD1 LEU 31 9.299 -8.317 -3.393
228 HD13 LEU 31 3HD1 LEU 31 8.135 -9.102 -4.461
229 HD21 LEU 31 3HD2 LEU 31 5.126 -7.661 -2.927
230 HD22 LEU 31 1HD2 LEU 31 5.791 -9.240 -2.506
231 HD23 LEU 31 2HD2 LEU 31 5.739 -8.725 -4.190
232 H HIS 32 H HIS 32 5.480 -6.990 1.156
233 HA HIS 32 HA HIS 32 6.882 -5.123 2.805
234 HB2 HIS 32 2HB HIS 32 4.599 -5.859 3.420
235 HB3 HIS 32 1HB HIS 32 5.193 -7.505 3.619
236 HD1 HIS 32 1HD HIS 32 5.352 -8.015 6.087
237 HD2 HIS 32 2HD HIS 32 6.420 -4.102 5.207
238 HE1 HIS 32 1HE HIS 32 5.963 -6.953 8.280
239 H LEU 33 H LEU 33 8.927 -5.398 2.808
240 HA LEU 33 HA LEU 33 10.054 -8.024 3.426
241 HB2 LEU 33 2HB LEU 33 11.397 -5.562 2.290
242 HB3 LEU 33 1HB LEU 33 12.148 -7.121 2.536
243 HG LEU 33 HG LEU 33 9.949 -6.526 0.551
244 HD11 LEU 33 1HD1 LEU 33 12.888 -7.033 0.135
245 HD12 LEU 33 2HD1 LEU 33 12.052 -5.494 -0.076
246 HD13 LEU 33 3HD1 LEU 33 11.681 -6.852 -1.138
247 HD21 LEU 33 3HD2 LEU 33 10.430 -8.778 -0.316
248 HD22 LEU 33 1HD2 LEU 33 9.830 -8.822 1.341
249 HD23 LEU 33 2HD2 LEU 33 11.551 -9.044 1.022
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 -10.898 -2.259 -1.170
2 H2 ASP 1 2HT ASP 1 -10.953 -3.297 0.158
3 H3 ASP 1 3HT ASP 1 -11.996 -3.532 -1.174
4 HA ASP 1 HA ASP 1 -10.163 -5.095 -1.146
5 HB2 ASP 1 2HB ASP 1 -10.361 -3.117 -3.421
6 HB3 ASP 1 1HB ASP 1 -9.467 -4.629 -3.527
7 H CYS 2 H CYS 2 -7.930 -5.441 -1.405
8 HA CYS 2 HA CYS 2 -6.430 -3.251 -0.311
9 HB2 CYS 2 2HB CYS 2 -4.620 -4.913 -0.050
10 HB3 CYS 2 1HB CYS 2 -6.098 -5.379 0.771
11 H LEU 3 H LEU 3 -4.605 -2.458 -1.200
12 HA LEU 3 HA LEU 3 -4.661 -2.209 -4.037
13 HB2 LEU 3 2HB LEU 3 -2.579 -1.241 -2.079
14 HB3 LEU 3 1HB LEU 3 -2.819 -0.679 -3.717
15 HG LEU 3 HG LEU 3 -4.788 -0.329 -1.478
16 HD11 LEU 3 1HD1 LEU 3 -2.773 0.987 -1.114
17 HD12 LEU 3 2HD1 LEU 3 -4.120 2.038 -1.560
18 HD13 LEU 3 3HD1 LEU 3 -2.884 1.628 -2.753
19 HD21 LEU 3 3HD2 LEU 3 -5.774 -0.440 -3.734
20 HD22 LEU 3 1HD2 LEU 3 -4.726 0.882 -4.231
21 HD23 LEU 3 2HD2 LEU 3 -5.965 1.157 -2.998
22 H LYS 4 H LYS 4 -3.332 -3.120 -5.434
23 HA LYS 4 HA LYS 4 -2.009 -5.543 -4.504
24 HB2 LYS 4 2HB LYS 4 -2.673 -4.633 -7.304
25 HB3 LYS 4 1HB LYS 4 -1.992 -6.195 -6.885
26 HG2 LYS 4 2HG LYS 4 -4.009 -6.727 -5.602
27 HG3 LYS 4 1HG LYS 4 -4.687 -5.156 -6.035
28 HD2 LYS 4 2HD LYS 4 -4.562 -5.774 -8.410
29 HD3 LYS 4 1HD LYS 4 -3.932 -7.359 -7.960
30 HE2 LYS 4 2HE LYS 4 -6.001 -7.801 -6.703
31 HE3 LYS 4 1HE LYS 4 -6.615 -6.222 -7.192
32 HZ1 LYS 4 3HZ LYS 4 -5.965 -8.470 -9.018
33 HZ2 LYS 4 1HZ LYS 4 -6.547 -6.966 -9.507
34 HZ3 LYS 4 2HZ LYS 4 -7.493 -7.992 -8.565
35 H PHE 5 H PHE 5 -0.120 -6.112 -6.261
36 HA PHE 5 HA PHE 5 2.057 -4.595 -5.316
37 HB2 PHE 5 2HB PHE 5 2.217 -6.994 -5.886
38 HB3 PHE 5 1HB PHE 5 1.986 -6.601 -7.585
39 HD1 PHE 5 1HD PHE 5 4.247 -6.215 -4.710
40 HD2 PHE 5 2HD PHE 5 3.829 -5.926 -8.926
41 HE1 PHE 5 1HE PHE 5 6.683 -5.963 -4.927
42 HE2 PHE 5 2HE PHE 5 6.268 -5.676 -9.155
43 HZ PHE 5 HZ PHE 5 7.696 -5.698 -7.144
44 H GLY 6 H GLY 6 2.632 -2.693 -5.941
45 HA2 GLY 6 2HA GLY 6 3.541 -1.200 -7.498
46 HA3 GLY 6 1HA GLY 6 2.787 -2.126 -8.788
47 H TRP 7 H TRP 7 0.640 -1.494 -6.227
48 HA TRP 7 HA TRP 7 -0.648 0.502 -7.867
49 HB2 TRP 7 2HB TRP 7 -1.522 -0.979 -5.394
50 HB3 TRP 7 1HB TRP 7 -2.436 0.390 -6.022
51 HD1 TRP 7 HD TRP 7 -0.878 -2.205 -8.392
52 HE1 TRP 7 1HE TRP 7 -2.764 -3.490 -9.562
53 HE3 TRP 7 3HE TRP 7 -4.868 -0.359 -5.795
54 HZ2 TRP 7 2HZ TRP 7 -5.569 -3.709 -9.406
55 HZ3 TRP 7 3HZ TRP 7 -7.119 -1.164 -6.362
56 HH2 TRP 7 HH TRP 7 -7.461 -2.806 -8.132
57 H LYS 8 H LYS 8 -1.026 2.539 -7.328
58 HA LYS 8 HA LYS 8 0.909 3.812 -5.658
59 HB2 LYS 8 2HB LYS 8 -1.466 4.946 -7.144
60 HB3 LYS 8 1HB LYS 8 -0.153 5.882 -6.449
61 HG2 LYS 8 2HG LYS 8 0.195 3.833 -8.623
62 HG3 LYS 8 1HG LYS 8 0.011 5.561 -8.907
63 HD2 LYS 8 2HD LYS 8 2.059 5.999 -7.675
64 HD3 LYS 8 1HD LYS 8 2.212 4.288 -7.273
65 HE2 LYS 8 2HE LYS 8 3.690 4.909 -9.132
66 HE3 LYS 8 1HE LYS 8 2.471 3.739 -9.633
67 HZ1 LYS 8 3HZ LYS 8 2.455 6.671 -10.223
68 HZ2 LYS 8 1HZ LYS 8 1.197 5.609 -10.601
69 HZ3 LYS 8 2HZ LYS 8 2.675 5.403 -11.300
70 H CYS 9 H CYS 9 0.661 4.471 -3.654
71 HA CYS 9 HA CYS 9 -2.000 4.408 -2.430
72 HB2 CYS 9 2HB CYS 9 -0.771 3.460 -0.427
73 HB3 CYS 9 1HB CYS 9 -0.960 2.374 -1.806
74 H ASN 10 H ASN 10 -1.711 5.408 -0.099
75 HA ASN 10 HA ASN 10 -0.068 7.819 -0.372
76 HB2 ASN 10 2HB ASN 10 -2.791 7.521 0.919
77 HB3 ASN 10 1HB ASN 10 -1.821 8.985 0.953
78 HD21 ASN 10 1HD2 ASN 10 -4.447 8.473 -0.122
79 HD22 ASN 10 2HD2 ASN 10 -4.399 8.942 -1.791
80 HA PRO 11 HA PRO 11 1.937 6.493 3.304
81 HB2 PRO 11 2HB PRO 11 2.688 8.871 4.401
82 HB3 PRO 11 1HB PRO 11 3.465 8.177 2.974
83 HG2 PRO 11 2HG PRO 11 1.344 10.285 3.141
84 HG3 PRO 11 1HG PRO 11 2.801 10.247 2.130
85 HD2 PRO 11 2HD PRO 11 0.374 9.619 1.152
86 HD3 PRO 11 1HD PRO 11 1.847 8.802 0.595
87 H ARG 12 H ARG 12 -0.825 8.448 3.478
88 HA ARG 12 HA ARG 12 -1.029 8.530 6.364
89 HB2 ARG 12 2HB ARG 12 -2.950 9.269 4.188
90 HB3 ARG 12 1HB ARG 12 -3.292 9.442 5.898
91 HG2 ARG 12 2HG ARG 12 -1.068 10.815 4.381
92 HG3 ARG 12 1HG ARG 12 -2.598 11.550 4.861
93 HD2 ARG 12 2HD ARG 12 -0.521 10.449 6.751
94 HD3 ARG 12 1HD ARG 12 -0.749 12.149 6.366
95 HE ARG 12 HE ARG 12 -2.807 10.496 7.668
96 HH11 ARG 12 1HH1 ARG 12 -0.992 13.568 7.444
97 HH12 ARG 12 2HH1 ARG 12 -1.845 14.282 8.731
98 HH21 ARG 12 1HH2 ARG 12 -3.904 11.506 9.436
99 HH22 ARG 12 2HH2 ARG 12 -3.507 13.121 9.873
100 H ASN 13 H ASN 13 -2.115 6.508 3.807
101 HA ASN 13 HA ASN 13 -3.452 4.780 5.725
102 HB2 ASN 13 2HB ASN 13 -5.213 6.279 5.051
103 HB3 ASN 13 1HB ASN 13 -4.817 6.035 3.360
104 HD21 ASN 13 1HD2 ASN 13 -6.880 5.437 2.920
105 HD22 ASN 13 2HD2 ASN 13 -7.560 3.920 3.373
106 H ASP 14 H ASP 14 -2.369 3.003 5.368
107 HA ASP 14 HA ASP 14 -1.601 2.170 2.685
108 HB2 ASP 14 2HB ASP 14 -0.032 1.880 4.605
109 HB3 ASP 14 1HB ASP 14 -1.197 0.792 5.348
110 H LYS 15 H LYS 15 -2.858 0.872 1.563
111 HA LYS 15 HA LYS 15 -4.629 -0.922 3.004
112 HB2 LYS 15 2HB LYS 15 -5.305 0.816 0.646
113 HB3 LYS 15 1HB LYS 15 -6.200 -0.659 0.980
114 HG2 LYS 15 2HG LYS 15 -5.916 1.699 2.834
115 HG3 LYS 15 1HG LYS 15 -7.341 1.269 1.881
116 HD2 LYS 15 2HD LYS 15 -7.516 -0.859 3.096
117 HD3 LYS 15 1HD LYS 15 -6.088 -0.427 4.035
118 HE2 LYS 15 2HE LYS 15 -8.032 -0.009 5.320
119 HE3 LYS 15 1HE LYS 15 -7.225 1.503 4.901
120 HZ1 LYS 15 3HZ LYS 15 -9.673 0.416 3.584
121 HZ2 LYS 15 1HZ LYS 15 -8.885 1.831 3.133
122 HZ3 LYS 15 2HZ LYS 15 -9.612 1.736 4.631
123 H CYS 16 H CYS 16 -1.948 -1.278 1.887
124 HA CYS 16 HA CYS 16 -2.324 -2.680 -0.585
125 HB2 CYS 16 2HB CYS 16 0.066 -2.781 1.261
126 HB3 CYS 16 1HB CYS 16 0.034 -3.168 -0.448
127 H CYS 17 H CYS 17 -1.981 -4.974 -0.805
128 HA CYS 17 HA CYS 17 -3.507 -6.501 0.971
129 HB2 CYS 17 2HB CYS 17 -1.593 -7.427 -1.167
130 HB3 CYS 17 1HB CYS 17 -2.835 -8.423 -0.416
131 H SER 18 H SER 18 -2.799 -8.610 1.986
132 HA SER 18 HA SER 18 -0.995 -8.143 4.055
133 HB2 SER 18 2HB SER 18 -2.059 -10.758 2.991
134 HB3 SER 18 1HB SER 18 -1.393 -10.492 4.609
135 HG SER 18 HG SER 18 -3.087 -8.721 4.564
136 H GLY 19 H GLY 19 1.138 -8.052 3.951
137 HA2 GLY 19 2HA GLY 19 3.273 -9.044 3.623
138 HA3 GLY 19 1HA GLY 19 2.592 -10.017 2.321
139 H LEU 20 H LEU 20 1.473 -6.931 2.103
140 HA LEU 20 HA LEU 20 3.594 -6.045 0.307
141 HB2 LEU 20 2HB LEU 20 1.325 -7.000 -0.568
142 HB3 LEU 20 1HB LEU 20 0.658 -5.507 0.041
143 HG LEU 20 HG LEU 20 2.222 -4.291 -1.480
144 HD11 LEU 20 1HD1 LEU 20 2.603 -7.069 -2.563
145 HD12 LEU 20 2HD1 LEU 20 3.808 -6.140 -1.676
146 HD13 LEU 20 3HD1 LEU 20 3.231 -5.560 -3.251
147 HD21 LEU 20 3HD2 LEU 20 -0.115 -4.671 -2.046
148 HD22 LEU 20 1HD2 LEU 20 0.308 -6.256 -2.700
149 HD23 LEU 20 2HD2 LEU 20 0.927 -4.800 -3.469
150 H LYS 21 H LYS 21 3.954 -3.749 0.550
151 HA LYS 21 HA LYS 21 2.243 -2.314 2.405
152 HB2 LYS 21 2HB LYS 21 3.967 -3.366 3.830
153 HB3 LYS 21 1HB LYS 21 5.215 -2.580 2.868
154 HG2 LYS 21 2HG LYS 21 4.399 -0.399 3.605
155 HG3 LYS 21 1HG LYS 21 3.142 -1.190 4.554
156 HD2 LYS 21 2HD LYS 21 4.875 -2.313 5.886
157 HD3 LYS 21 1HD LYS 21 6.118 -1.494 4.943
158 HE2 LYS 21 2HE LYS 21 5.744 -0.353 7.073
159 HE3 LYS 21 1HE LYS 21 5.293 0.673 5.716
160 HZ1 LYS 21 3HZ LYS 21 2.977 0.092 6.105
161 HZ2 LYS 21 1HZ LYS 21 3.668 0.795 7.463
162 HZ3 LYS 21 2HZ LYS 21 3.409 -0.861 7.432
163 H CYS 22 H CYS 22 2.277 -0.191 2.177
164 HA CYS 22 HA CYS 22 3.094 0.921 -0.300
165 HB2 CYS 22 2HB CYS 22 1.068 1.559 1.034
166 HB3 CYS 22 1HB CYS 22 2.142 2.258 2.234
167 H GLY 23 H GLY 23 4.975 1.904 -0.726
168 HA2 GLY 23 2HA GLY 23 7.117 1.940 1.123
169 HA3 GLY 23 1HA GLY 23 7.093 2.727 -0.451
170 H SER 24 H SER 24 8.360 3.896 1.703
171 HA SER 24 HA SER 24 6.597 5.787 2.927
172 HB2 SER 24 2HB SER 24 8.857 6.495 3.918
173 HB3 SER 24 1HB SER 24 8.230 4.896 4.343
174 HG SER 24 HG SER 24 10.359 4.741 3.755
175 H ASN 25 H ASN 25 9.565 6.002 0.954
176 HA ASN 25 HA ASN 25 8.805 8.726 0.271
177 HB2 ASN 25 2HB ASN 25 10.992 9.045 -0.710
178 HB3 ASN 25 1HB ASN 25 11.206 8.252 0.838
179 HD21 ASN 25 1HD2 ASN 25 11.548 8.014 -2.578
180 HD22 ASN 25 2HD2 ASN 25 12.427 6.540 -2.612
181 H HIS 26 H HIS 26 8.976 5.597 -1.178
182 HA HIS 26 HA HIS 26 7.798 6.698 -3.623
183 HB2 HIS 26 2HB HIS 26 8.954 3.965 -3.040
184 HB3 HIS 26 1HB HIS 26 8.086 4.356 -4.510
185 HD1 HIS 26 1HD HIS 26 9.308 6.523 -5.819
186 HD2 HIS 26 2HD HIS 26 11.560 4.128 -3.306
187 HE1 HIS 26 1HE HIS 26 11.711 6.858 -6.511
188 H ASN 27 H ASN 27 5.687 6.907 -3.195
189 HA ASN 27 HA ASN 27 4.460 5.053 -1.390
190 HB2 ASN 27 2HB ASN 27 3.275 7.399 -2.842
191 HB3 ASN 27 1HB ASN 27 2.385 6.383 -1.721
192 HD21 ASN 27 1HD2 ASN 27 4.679 6.118 0.148
193 HD22 ASN 27 2HD2 ASN 27 4.841 7.654 0.880
194 H TRP 28 H TRP 28 4.851 3.254 -2.663
195 HA TRP 28 HA TRP 28 2.436 2.600 -4.044
196 HB2 TRP 28 2HB TRP 28 3.731 1.249 -5.772
197 HB3 TRP 28 1HB TRP 28 3.669 2.981 -6.004
198 HD1 TRP 28 HD TRP 28 6.209 1.309 -3.626
199 HE1 TRP 28 1HE TRP 28 8.569 1.654 -4.560
200 HE3 TRP 28 3HE TRP 28 4.994 3.430 -8.108
201 HZ2 TRP 28 2HZ TRP 28 9.755 2.650 -6.869
202 HZ3 TRP 28 3HZ TRP 28 6.817 4.057 -9.635
203 HH2 TRP 28 HH TRP 28 9.155 3.679 -9.030
204 H CYS 29 H CYS 29 1.958 0.483 -4.048
205 HA CYS 29 HA CYS 29 2.772 -0.867 -1.660
206 HB2 CYS 29 2HB CYS 29 0.976 -1.700 -3.912
207 HB3 CYS 29 1HB CYS 29 1.162 -2.617 -2.435
208 H LYS 30 H LYS 30 4.684 -1.818 -1.594
209 HA LYS 30 HA LYS 30 5.361 -3.704 -3.736
210 HB2 LYS 30 2HB LYS 30 7.286 -1.984 -2.153
211 HB3 LYS 30 1HB LYS 30 7.779 -3.291 -3.205
212 HG2 LYS 30 2HG LYS 30 6.403 -0.743 -4.020
213 HG3 LYS 30 1HG LYS 30 8.081 -1.172 -4.332
214 HD2 LYS 30 2HD LYS 30 7.226 -3.126 -5.676
215 HD3 LYS 30 1HD LYS 30 5.604 -2.475 -5.451
216 HE2 LYS 30 2HE LYS 30 6.442 -1.786 -7.604
217 HE3 LYS 30 1HE LYS 30 6.322 -0.379 -6.548
218 HZ1 LYS 30 3HZ LYS 30 8.381 -0.443 -7.836
219 HZ2 LYS 30 1HZ LYS 30 8.808 -1.884 -7.100
220 HZ3 LYS 30 2HZ LYS 30 8.701 -0.481 -6.181
221 H LEU 31 H LEU 31 7.257 -5.223 -2.681
222 HA LEU 31 HA LEU 31 5.760 -6.869 -0.962
223 HB2 LEU 31 2HB LEU 31 8.703 -6.945 -1.560
224 HB3 LEU 31 1HB LEU 31 7.804 -8.208 -0.755
225 HG LEU 31 HG LEU 31 7.430 -7.315 -3.608
226 HD11 LEU 31 1HD1 LEU 31 8.309 -9.519 -4.139
227 HD12 LEU 31 2HD1 LEU 31 8.600 -9.814 -2.422
228 HD13 LEU 31 3HD1 LEU 31 9.478 -8.534 -3.262
229 HD21 LEU 31 3HD2 LEU 31 5.935 -9.235 -3.787
230 HD22 LEU 31 1HD2 LEU 31 5.321 -8.048 -2.639
231 HD23 LEU 31 2HD2 LEU 31 6.091 -9.523 -2.053
232 H HIS 32 H HIS 32 5.803 -7.286 1.148
233 HA HIS 32 HA HIS 32 7.524 -5.603 2.810
234 HB2 HIS 32 2HB HIS 32 5.157 -4.965 2.985
235 HB3 HIS 32 1HB HIS 32 4.732 -6.625 3.375
236 HD1 HIS 32 1HD HIS 32 4.352 -6.938 5.843
237 HD2 HIS 32 2HD HIS 32 7.133 -3.959 5.037
238 HE1 HIS 32 1HE HIS 32 5.043 -6.019 8.061
239 H LEU 33 H LEU 33 9.058 -6.848 3.615
240 HA LEU 33 HA LEU 33 8.340 -9.549 4.494
241 HB2 LEU 33 2HB LEU 33 11.054 -8.607 3.504
242 HB3 LEU 33 1HB LEU 33 10.728 -10.186 4.169
243 HG LEU 33 HG LEU 33 9.123 -10.488 2.175
244 HD11 LEU 33 1HD1 LEU 33 9.664 -9.219 0.172
245 HD12 LEU 33 2HD1 LEU 33 10.722 -8.176 1.123
246 HD13 LEU 33 3HD1 LEU 33 8.987 -8.200 1.442
247 HD21 LEU 33 3HD2 LEU 33 12.095 -10.311 1.728
248 HD22 LEU 33 1HD2 LEU 33 10.954 -11.195 0.712
249 HD23 LEU 33 2HD2 LEU 33 11.206 -11.686 2.386
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 -11.288 -3.491 -1.273
2 H2 ASP 1 2HT ASP 1 -12.073 -4.367 -2.494
3 H3 ASP 1 3HT ASP 1 -10.907 -3.182 -2.873
4 HA ASP 1 HA ASP 1 -10.296 -5.603 -1.342
5 HB2 ASP 1 2HB ASP 1 -10.912 -6.074 -3.745
6 HB3 ASP 1 1HB ASP 1 -9.664 -4.938 -4.235
7 H CYS 2 H CYS 2 -7.783 -5.825 -1.572
8 HA CYS 2 HA CYS 2 -6.753 -3.394 -0.465
9 HB2 CYS 2 2HB CYS 2 -4.696 -4.779 -0.182
10 HB3 CYS 2 1HB CYS 2 -6.144 -5.444 0.571
11 H LEU 3 H LEU 3 -4.672 -2.527 -1.160
12 HA LEU 3 HA LEU 3 -4.624 -2.089 -3.996
13 HB2 LEU 3 2HB LEU 3 -2.639 -1.201 -1.897
14 HB3 LEU 3 1HB LEU 3 -2.769 -0.603 -3.531
15 HG LEU 3 HG LEU 3 -4.821 -0.272 -1.393
16 HD11 LEU 3 1HD1 LEU 3 -4.116 2.106 -1.434
17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.680 -2.586
18 HD13 LEU 3 3HD1 LEU 3 -2.802 1.029 -0.946
19 HD21 LEU 3 3HD2 LEU 3 -5.869 1.310 -2.980
20 HD22 LEU 3 1HD2 LEU 3 -5.804 -0.340 -3.613
21 HD23 LEU 3 2HD2 LEU 3 -4.649 0.864 -4.175
22 H LYS 4 H LYS 4 -3.283 -3.012 -5.359
23 HA LYS 4 HA LYS 4 -1.931 -5.389 -4.379
24 HB2 LYS 4 2HB LYS 4 -2.514 -4.510 -7.198
25 HB3 LYS 4 1HB LYS 4 -1.815 -6.053 -6.729
26 HG2 LYS 4 2HG LYS 4 -3.868 -6.611 -5.516
27 HG3 LYS 4 1HG LYS 4 -4.557 -5.058 -5.983
28 HD2 LYS 4 2HD LYS 4 -5.393 -6.791 -7.446
29 HD3 LYS 4 1HD LYS 4 -4.341 -5.702 -8.353
30 HE2 LYS 4 2HE LYS 4 -3.907 -8.010 -8.963
31 HE3 LYS 4 1HE LYS 4 -2.507 -7.335 -8.148
32 HZ1 LYS 4 3HZ LYS 4 -4.556 -9.106 -6.939
33 HZ2 LYS 4 1HZ LYS 4 -3.237 -8.456 -6.103
34 HZ3 LYS 4 2HZ LYS 4 -2.972 -9.545 -7.353
35 H PHE 5 H PHE 5 0.007 -5.937 -6.010
36 HA PHE 5 HA PHE 5 2.081 -4.286 -5.074
37 HB2 PHE 5 2HB PHE 5 2.376 -6.688 -5.371
38 HB3 PHE 5 1HB PHE 5 2.109 -6.525 -7.100
39 HD1 PHE 5 2HD PHE 5 4.272 -4.920 -4.530
40 HD2 PHE 5 1HD PHE 5 3.986 -6.712 -8.366
41 HE1 PHE 5 2HE PHE 5 6.676 -4.585 -4.864
42 HE2 PHE 5 1HE PHE 5 6.390 -6.378 -8.706
43 HZ PHE 5 HZ PHE 5 7.733 -5.313 -6.955
44 H GLY 6 H GLY 6 2.660 -2.436 -5.816
45 HA2 GLY 6 2HA GLY 6 3.576 -1.044 -7.493
46 HA3 GLY 6 1HA GLY 6 2.692 -1.964 -8.704
47 H TRP 7 H TRP 7 0.610 -1.400 -6.152
48 HA TRP 7 HA TRP 7 -0.681 0.661 -7.720
49 HB2 TRP 7 2HB TRP 7 -1.582 -0.930 -5.331
50 HB3 TRP 7 1HB TRP 7 -2.510 0.425 -5.967
51 HD1 TRP 7 HD TRP 7 -0.777 -2.068 -8.302
52 HE1 TRP 7 1HE TRP 7 -2.587 -3.394 -9.568
53 HE3 TRP 7 3HE TRP 7 -4.900 -0.348 -5.852
54 HZ2 TRP 7 2HZ TRP 7 -5.384 -3.663 -9.530
55 HZ3 TRP 7 3HZ TRP 7 -7.107 -1.189 -6.524
56 HH2 TRP 7 HH TRP 7 -7.338 -2.811 -8.324
57 H LYS 8 H LYS 8 -1.084 2.689 -7.057
58 HA LYS 8 HA LYS 8 0.870 3.927 -5.433
59 HB2 LYS 8 2HB LYS 8 -0.381 4.921 -7.345
60 HB3 LYS 8 1HB LYS 8 -1.794 5.034 -6.299
61 HG2 LYS 8 2HG LYS 8 -0.809 7.186 -6.350
62 HG3 LYS 8 1HG LYS 8 -0.378 6.486 -4.789
63 HD2 LYS 8 2HD LYS 8 1.825 5.896 -5.651
64 HD3 LYS 8 1HD LYS 8 1.389 6.533 -7.237
65 HE2 LYS 8 2HE LYS 8 1.581 8.108 -4.672
66 HE3 LYS 8 1HE LYS 8 2.750 8.124 -5.978
67 HZ1 LYS 8 3HZ LYS 8 1.296 10.038 -6.071
68 HZ2 LYS 8 1HZ LYS 8 -0.067 9.070 -6.184
69 HZ3 LYS 8 2HZ LYS 8 1.065 9.086 -7.430
70 H CYS 9 H CYS 9 0.847 4.330 -3.323
71 HA CYS 9 HA CYS 9 -1.472 3.400 -1.785
72 HB2 CYS 9 2HB CYS 9 -0.036 3.128 0.063
73 HB3 CYS 9 1HB CYS 9 0.939 2.635 -1.322
74 H ASN 10 H ASN 10 -1.806 4.815 0.298
75 HA ASN 10 HA ASN 10 -1.443 7.631 -0.384
76 HB2 ASN 10 2HB ASN 10 -3.557 6.308 1.361
77 HB3 ASN 10 1HB ASN 10 -3.374 8.046 1.169
78 HD21 ASN 10 1HD2 ASN 10 -5.636 6.335 0.560
79 HD22 ASN 10 2HD2 ASN 10 -5.967 6.542 -1.108
80 HA PRO 11 HA PRO 11 1.655 7.470 2.753
81 HB2 PRO 11 2HB PRO 11 1.239 10.070 3.763
82 HB3 PRO 11 1HB PRO 11 2.375 9.604 2.498
83 HG2 PRO 11 2HG PRO 11 -0.341 10.789 2.264
84 HG3 PRO 11 1HG PRO 11 1.070 10.990 1.215
85 HD2 PRO 11 2HD PRO 11 -1.026 9.479 0.499
86 HD3 PRO 11 1HD PRO 11 0.631 9.037 0.043
87 H ARG 12 H ARG 12 -1.462 8.838 3.668
88 HA ARG 12 HA ARG 12 -1.054 8.150 6.470
89 HB2 ARG 12 2HB ARG 12 -3.303 9.501 5.030
90 HB3 ARG 12 1HB ARG 12 -3.276 9.171 6.747
91 HG2 ARG 12 2HG ARG 12 -1.224 10.850 5.287
92 HG3 ARG 12 1HG ARG 12 -2.617 11.518 6.140
93 HD2 ARG 12 2HD ARG 12 -1.813 10.710 8.228
94 HD3 ARG 12 1HD ARG 12 -0.536 9.777 7.458
95 HE ARG 12 HE ARG 12 0.168 12.133 6.659
96 HH11 ARG 12 1HH1 ARG 12 -1.177 11.418 9.871
97 HH12 ARG 12 2HH1 ARG 12 -0.124 12.485 10.677
98 HH21 ARG 12 1HH2 ARG 12 1.578 13.580 7.791
99 HH22 ARG 12 2HH2 ARG 12 1.452 13.744 9.499
100 H ASN 13 H ASN 13 -2.589 6.869 3.748
101 HA ASN 13 HA ASN 13 -3.922 4.866 5.447
102 HB2 ASN 13 2HB ASN 13 -5.649 6.385 4.600
103 HB3 ASN 13 1HB ASN 13 -5.121 6.095 2.952
104 HD21 ASN 13 1HD2 ASN 13 -7.198 5.368 2.381
105 HD22 ASN 13 2HD2 ASN 13 -7.777 3.829 2.845
106 H ASP 14 H ASP 14 -2.431 3.315 5.185
107 HA ASP 14 HA ASP 14 -1.644 2.414 2.530
108 HB2 ASP 14 2HB ASP 14 0.003 2.409 4.444
109 HB3 ASP 14 1HB ASP 14 -1.007 1.204 5.234
110 H LYS 15 H LYS 15 -3.057 1.226 1.512
111 HA LYS 15 HA LYS 15 -4.641 -0.712 3.036
112 HB2 LYS 15 2HB LYS 15 -5.310 0.872 0.591
113 HB3 LYS 15 1HB LYS 15 -6.153 -0.624 0.959
114 HG2 LYS 15 2HG LYS 15 -6.015 1.825 2.695
115 HG3 LYS 15 1HG LYS 15 -7.404 1.255 1.762
116 HD2 LYS 15 2HD LYS 15 -7.346 -0.863 3.093
117 HD3 LYS 15 1HD LYS 15 -6.097 -0.138 4.100
118 HE2 LYS 15 2HE LYS 15 -8.158 0.093 5.171
119 HE3 LYS 15 1HE LYS 15 -7.591 1.673 4.617
120 HZ1 LYS 15 3HZ LYS 15 -9.986 1.354 4.182
121 HZ2 LYS 15 1HZ LYS 15 -9.642 0.001 3.261
122 HZ3 LYS 15 2HZ LYS 15 -9.154 1.514 2.720
123 H CYS 16 H CYS 16 -1.931 -1.085 1.949
124 HA CYS 16 HA CYS 16 -2.225 -2.517 -0.473
125 HB2 CYS 16 2HB CYS 16 0.054 -2.646 1.506
126 HB3 CYS 16 1HB CYS 16 0.109 -3.129 -0.178
127 H CYS 17 H CYS 17 -1.846 -4.811 -0.713
128 HA CYS 17 HA CYS 17 -3.493 -6.393 0.917
129 HB2 CYS 17 2HB CYS 17 -1.435 -7.264 -1.103
130 HB3 CYS 17 1HB CYS 17 -2.743 -8.259 -0.473
131 H SER 18 H SER 18 -2.676 -8.669 1.688
132 HA SER 18 HA SER 18 -1.017 -8.317 3.903
133 HB2 SER 18 2HB SER 18 -1.862 -10.854 2.503
134 HB3 SER 18 1HB SER 18 -1.349 -10.699 4.188
135 HG SER 18 HG SER 18 -3.129 -9.154 4.367
136 H GLY 19 H GLY 19 1.146 -8.443 4.087
137 HA2 GLY 19 2HA GLY 19 3.343 -9.011 3.642
138 HA3 GLY 19 1HA GLY 19 2.777 -10.050 2.335
139 H LEU 20 H LEU 20 1.607 -6.869 2.396
140 HA LEU 20 HA LEU 20 3.517 -5.947 0.399
141 HB2 LEU 20 2HB LEU 20 1.230 -7.004 -0.356
142 HB3 LEU 20 1HB LEU 20 0.578 -5.482 0.206
143 HG LEU 20 HG LEU 20 2.206 -4.365 -1.352
144 HD11 LEU 20 1HD1 LEU 20 3.653 -6.249 -1.607
145 HD12 LEU 20 2HD1 LEU 20 3.004 -5.796 -3.196
146 HD13 LEU 20 3HD1 LEU 20 2.361 -7.200 -2.318
147 HD21 LEU 20 3HD2 LEU 20 0.099 -6.176 -2.499
148 HD22 LEU 20 1HD2 LEU 20 0.786 -4.759 -3.284
149 HD23 LEU 20 2HD2 LEU 20 -0.178 -4.572 -1.817
150 H LYS 21 H LYS 21 3.915 -3.764 0.735
151 HA LYS 21 HA LYS 21 2.147 -2.197 2.439
152 HB2 LYS 21 2HB LYS 21 3.687 -3.384 4.026
153 HB3 LYS 21 1HB LYS 21 5.045 -2.652 3.181
154 HG2 LYS 21 2HG LYS 21 4.202 -0.423 3.848
155 HG3 LYS 21 1HG LYS 21 2.931 -1.215 4.779
156 HD2 LYS 21 2HD LYS 21 4.621 -2.332 6.148
157 HD3 LYS 21 1HD LYS 21 5.901 -1.577 5.202
158 HE2 LYS 21 2HE LYS 21 5.031 0.647 5.907
159 HE3 LYS 21 1HE LYS 21 3.873 -0.183 6.946
160 HZ1 LYS 21 3HZ LYS 21 6.829 -0.324 7.157
161 HZ2 LYS 21 1HZ LYS 21 5.767 -1.165 8.151
162 HZ3 LYS 21 2HZ LYS 21 5.823 0.513 8.195
163 H CYS 22 H CYS 22 2.563 0.045 2.175
164 HA CYS 22 HA CYS 22 3.717 0.725 -0.304
165 HB2 CYS 22 2HB CYS 22 1.924 2.052 0.833
166 HB3 CYS 22 1HB CYS 22 3.121 2.573 2.017
167 H GLY 23 H GLY 23 5.687 1.368 -0.817
168 HA2 GLY 23 2HA GLY 23 7.786 0.682 1.026
169 HA3 GLY 23 1HA GLY 23 7.979 1.208 -0.638
170 H SER 24 H SER 24 9.803 2.127 0.945
171 HA SER 24 HA SER 24 8.955 4.726 1.850
172 HB2 SER 24 2HB SER 24 11.397 4.752 2.672
173 HB3 SER 24 1HB SER 24 10.264 3.657 3.471
174 HG SER 24 HG SER 24 11.869 2.369 3.061
175 H ASN 25 H ASN 25 10.910 3.182 -0.634
176 HA ASN 25 HA ASN 25 11.809 5.773 -1.550
177 HB2 ASN 25 2HB ASN 25 13.181 4.637 -3.197
178 HB3 ASN 25 1HB ASN 25 13.398 3.846 -1.647
179 HD21 ASN 25 1HD2 ASN 25 13.970 2.840 -4.253
180 HD22 ASN 25 2HD2 ASN 25 13.028 1.423 -4.498
181 H HIS 26 H HIS 26 9.270 3.637 -2.168
182 HA HIS 26 HA HIS 26 8.420 5.308 -4.422
183 HB2 HIS 26 2HB HIS 26 8.073 2.318 -4.134
184 HB3 HIS 26 1HB HIS 26 7.147 3.261 -5.275
185 HD1 HIS 26 1HD HIS 26 8.573 4.327 -7.319
186 HD2 HIS 26 2HD HIS 26 10.517 1.615 -4.876
187 HE1 HIS 26 1HE HIS 26 10.614 3.612 -8.579
188 H ASN 27 H ASN 27 6.275 5.813 -4.468
189 HA ASN 27 HA ASN 27 4.945 5.574 -1.875
190 HB2 ASN 27 2HB ASN 27 5.225 7.802 -3.098
191 HB3 ASN 27 1HB ASN 27 4.061 7.205 -4.273
192 HD21 ASN 27 1HD2 ASN 27 3.906 6.654 -0.785
193 HD22 ASN 27 2HD2 ASN 27 2.476 7.571 -0.546
194 H TRP 28 H TRP 28 5.119 3.257 -3.403
195 HA TRP 28 HA TRP 28 2.298 2.802 -3.811
196 HB2 TRP 28 2HB TRP 28 2.624 1.391 -5.785
197 HB3 TRP 28 1HB TRP 28 3.275 2.974 -6.063
198 HD1 TRP 28 HD TRP 28 5.101 -0.085 -4.478
199 HE1 TRP 28 1HE TRP 28 7.146 -0.622 -5.929
200 HE3 TRP 28 3HE TRP 28 4.366 3.325 -8.140
201 HZ2 TRP 28 2HZ TRP 28 8.293 0.263 -8.269
202 HZ3 TRP 28 3HZ TRP 28 5.998 3.424 -10.014
203 HH2 TRP 28 HH TRP 28 7.916 1.919 -10.078
204 H CYS 29 H CYS 29 1.829 0.524 -3.855
205 HA CYS 29 HA CYS 29 2.728 -0.755 -1.486
206 HB2 CYS 29 2HB CYS 29 1.003 -1.606 -3.771
207 HB3 CYS 29 1HB CYS 29 1.181 -2.588 -2.341
208 H LYS 30 H LYS 30 4.635 -1.743 -1.345
209 HA LYS 30 HA LYS 30 5.715 -3.187 -3.671
210 HB2 LYS 30 2HB LYS 30 7.157 -2.196 -1.206
211 HB3 LYS 30 1HB LYS 30 7.882 -2.982 -2.595
212 HG2 LYS 30 2HG LYS 30 7.282 -1.050 -3.982
213 HG3 LYS 30 1HG LYS 30 6.563 -0.273 -2.570
214 HD2 LYS 30 2HD LYS 30 8.776 0.626 -2.855
215 HD3 LYS 30 1HD LYS 30 8.786 -0.435 -1.447
216 HE2 LYS 30 2HE LYS 30 9.707 -2.244 -2.874
217 HE3 LYS 30 1HE LYS 30 9.781 -1.082 -4.203
218 HZ1 LYS 30 3HZ LYS 30 11.240 -0.890 -1.621
219 HZ2 LYS 30 1HZ LYS 30 11.297 0.268 -2.846
220 HZ3 LYS 30 2HZ LYS 30 11.908 -1.272 -3.110
221 H LEU 31 H LEU 31 7.018 -5.156 -2.961
222 HA LEU 31 HA LEU 31 5.445 -6.847 -1.271
223 HB2 LEU 31 2HB LEU 31 8.242 -7.230 -2.347
224 HB3 LEU 31 1HB LEU 31 7.262 -8.460 -1.587
225 HG LEU 31 HG LEU 31 6.633 -7.131 -4.220
226 HD11 LEU 31 1HD1 LEU 31 8.610 -8.549 -4.329
227 HD12 LEU 31 2HD1 LEU 31 7.250 -9.285 -5.177
228 HD13 LEU 31 3HD1 LEU 31 7.711 -9.867 -3.578
229 HD21 LEU 31 3HD2 LEU 31 4.628 -7.873 -3.030
230 HD22 LEU 31 1HD2 LEU 31 5.347 -9.468 -2.806
231 HD23 LEU 31 2HD2 LEU 31 4.951 -8.899 -4.428
232 H HIS 32 H HIS 32 5.591 -7.033 0.864
233 HA HIS 32 HA HIS 32 7.696 -5.519 2.147
234 HB2 HIS 32 2HB HIS 32 5.344 -5.365 2.980
235 HB3 HIS 32 1HB HIS 32 5.450 -7.067 3.439
236 HD1 HIS 32 1HD HIS 32 6.700 -7.607 5.645
237 HD2 HIS 32 2HD HIS 32 6.868 -3.608 4.560
238 HE1 HIS 32 1HE HIS 32 7.670 -6.392 7.620
239 H LEU 33 H LEU 33 9.377 -6.724 1.573
240 HA LEU 33 HA LEU 33 9.587 -9.383 2.802
241 HB2 LEU 33 2HB LEU 33 11.249 -8.272 0.526
242 HB3 LEU 33 1HB LEU 33 11.276 -9.904 1.151
243 HG LEU 33 HG LEU 33 8.987 -8.633 -0.345
244 HD11 LEU 33 1HD1 LEU 33 10.881 -9.082 -1.782
245 HD12 LEU 33 2HD1 LEU 33 9.557 -10.193 -2.127
246 HD13 LEU 33 3HD1 LEU 33 10.950 -10.746 -1.200
247 HD21 LEU 33 3HD2 LEU 33 9.319 -11.451 0.691
248 HD22 LEU 33 1HD2 LEU 33 8.030 -10.900 -0.384
249 HD23 LEU 33 2HD2 LEU 33 8.152 -10.244 1.242
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 -12.085 -4.153 -2.140
2 H2 ASP 1 2HT ASP 1 -10.903 -3.147 -2.847
3 H3 ASP 1 3HT ASP 1 -11.079 -3.178 -1.194
4 HA ASP 1 HA ASP 1 -10.265 -5.362 -1.020
5 HB2 ASP 1 2HB ASP 1 -9.424 -6.587 -2.948
6 HB3 ASP 1 1HB ASP 1 -11.107 -6.186 -3.250
7 H CYS 2 H CYS 2 -7.967 -5.734 -0.964
8 HA CYS 2 HA CYS 2 -6.623 -3.340 -0.446
9 HB2 CYS 2 2HB CYS 2 -4.707 -4.870 -0.045
10 HB3 CYS 2 1HB CYS 2 -6.186 -5.258 0.833
11 H LEU 3 H LEU 3 -4.773 -2.477 -1.357
12 HA LEU 3 HA LEU 3 -4.712 -2.356 -4.205
13 HB2 LEU 3 2HB LEU 3 -2.675 -1.358 -2.206
14 HB3 LEU 3 1HB LEU 3 -2.820 -0.872 -3.876
15 HG LEU 3 HG LEU 3 -4.920 -0.356 -1.787
16 HD11 LEU 3 1HD1 LEU 3 -2.881 0.837 -1.256
17 HD12 LEU 3 2HD1 LEU 3 -4.109 1.959 -1.852
18 HD13 LEU 3 3HD1 LEU 3 -2.788 1.453 -2.906
19 HD21 LEU 3 3HD2 LEU 3 -4.536 0.765 -4.555
20 HD22 LEU 3 1HD2 LEU 3 -5.823 1.195 -3.434
21 HD23 LEU 3 2HD2 LEU 3 -5.747 -0.439 -4.106
22 H LYS 4 H LYS 4 -3.148 -3.136 -5.563
23 HA LYS 4 HA LYS 4 -1.867 -5.587 -4.633
24 HB2 LYS 4 2HB LYS 4 -2.288 -4.555 -7.426
25 HB3 LYS 4 1HB LYS 4 -1.727 -6.161 -7.000
26 HG2 LYS 4 2HG LYS 4 -3.870 -6.659 -5.975
27 HG3 LYS 4 1HG LYS 4 -4.426 -5.016 -6.316
28 HD2 LYS 4 2HD LYS 4 -4.014 -5.462 -8.723
29 HD3 LYS 4 1HD LYS 4 -3.681 -7.143 -8.303
30 HE2 LYS 4 2HE LYS 4 -5.930 -7.363 -7.396
31 HE3 LYS 4 1HE LYS 4 -6.251 -5.670 -7.768
32 HZ1 LYS 4 3HZ LYS 4 -7.181 -6.981 -9.492
33 HZ2 LYS 4 1HZ LYS 4 -5.755 -7.853 -9.724
34 HZ3 LYS 4 2HZ LYS 4 -5.827 -6.235 -10.133
35 H PHE 5 H PHE 5 0.156 -6.065 -6.113
36 HA PHE 5 HA PHE 5 2.213 -4.378 -5.207
37 HB2 PHE 5 2HB PHE 5 2.515 -6.797 -5.575
38 HB3 PHE 5 1HB PHE 5 2.323 -6.560 -7.305
39 HD1 PHE 5 1HD PHE 5 4.464 -5.910 -4.420
40 HD2 PHE 5 2HD PHE 5 4.148 -5.787 -8.648
41 HE1 PHE 5 1HE PHE 5 6.897 -5.525 -4.588
42 HE2 PHE 5 2HE PHE 5 6.573 -5.409 -8.830
43 HZ PHE 5 HZ PHE 5 7.950 -5.282 -6.789
44 H GLY 6 H GLY 6 2.727 -2.508 -5.949
45 HA2 GLY 6 2HA GLY 6 3.631 -1.083 -7.579
46 HA3 GLY 6 1HA GLY 6 2.950 -2.109 -8.835
47 H TRP 7 H TRP 7 0.862 -1.358 -6.259
48 HA TRP 7 HA TRP 7 -0.513 0.529 -7.964
49 HB2 TRP 7 2HB TRP 7 -1.387 -1.108 -5.603
50 HB3 TRP 7 1HB TRP 7 -2.346 0.254 -6.176
51 HD1 TRP 7 HD TRP 7 -0.559 -2.218 -8.509
52 HE1 TRP 7 1HE TRP 7 -2.340 -3.448 -9.897
53 HE3 TRP 7 3HE TRP 7 -4.706 -0.389 -6.237
54 HZ2 TRP 7 2HZ TRP 7 -5.160 -3.608 -10.002
55 HZ3 TRP 7 3HZ TRP 7 -6.892 -1.111 -6.999
56 HH2 TRP 7 HH TRP 7 -7.133 -2.694 -8.864
57 H LYS 8 H LYS 8 -1.141 2.512 -7.165
58 HA LYS 8 HA LYS 8 0.837 3.735 -5.515
59 HB2 LYS 8 2HB LYS 8 -0.318 4.645 -7.570
60 HB3 LYS 8 1HB LYS 8 -1.726 4.918 -6.552
61 HG2 LYS 8 2HG LYS 8 -0.515 6.957 -6.799
62 HG3 LYS 8 1HG LYS 8 -0.302 6.390 -5.138
63 HD2 LYS 8 2HD LYS 8 1.884 5.548 -5.643
64 HD3 LYS 8 1HD LYS 8 1.670 5.873 -7.362
65 HE2 LYS 8 2HE LYS 8 1.734 7.938 -5.171
66 HE3 LYS 8 1HE LYS 8 3.078 7.547 -6.240
67 HZ1 LYS 8 3HZ LYS 8 0.452 8.638 -7.098
68 HZ2 LYS 8 1HZ LYS 8 1.747 8.279 -8.121
69 HZ3 LYS 8 2HZ LYS 8 1.884 9.499 -6.975
70 H CYS 9 H CYS 9 0.591 4.292 -3.421
71 HA CYS 9 HA CYS 9 -1.936 3.499 -2.159
72 HB2 CYS 9 2HB CYS 9 -0.599 3.128 -0.085
73 HB3 CYS 9 1HB CYS 9 -0.136 2.067 -1.409
74 H ASN 10 H ASN 10 -2.412 4.674 -0.151
75 HA ASN 10 HA ASN 10 -2.088 7.492 -0.545
76 HB2 ASN 10 2HB ASN 10 -3.463 5.951 1.681
77 HB3 ASN 10 1HB ASN 10 -3.469 7.706 1.538
78 HD21 ASN 10 1HD2 ASN 10 -5.709 5.827 1.499
79 HD22 ASN 10 2HD2 ASN 10 -6.497 6.073 -0.008
80 HA PRO 11 HA PRO 11 1.862 7.574 1.264
81 HB2 PRO 11 2HB PRO 11 1.431 10.166 2.405
82 HB3 PRO 11 1HB PRO 11 2.361 9.711 0.976
83 HG2 PRO 11 2HG PRO 11 -0.320 10.835 1.159
84 HG3 PRO 11 1HG PRO 11 0.772 10.748 -0.226
85 HD2 PRO 11 2HD PRO 11 -1.512 9.286 0.050
86 HD3 PRO 11 1HD PRO 11 -0.139 8.796 -0.957
87 H ARG 12 H ARG 12 -0.794 8.657 3.324
88 HA ARG 12 HA ARG 12 0.780 7.995 5.694
89 HB2 ARG 12 2HB ARG 12 -1.850 9.356 5.338
90 HB3 ARG 12 1HB ARG 12 -1.175 8.940 6.902
91 HG2 ARG 12 2HG ARG 12 0.092 10.729 4.840
92 HG3 ARG 12 1HG ARG 12 -0.772 11.297 6.272
93 HD2 ARG 12 2HD ARG 12 0.874 10.165 7.699
94 HD3 ARG 12 1HD ARG 12 1.724 9.598 6.264
95 HE ARG 12 HE ARG 12 1.462 12.388 6.233
96 HH11 ARG 12 1HH1 ARG 12 3.282 9.798 7.837
97 HH12 ARG 12 2HH1 ARG 12 4.663 10.759 8.111
98 HH21 ARG 12 1HH2 ARG 12 3.378 13.695 6.608
99 HH22 ARG 12 2HH2 ARG 12 4.731 12.997 7.373
100 H ASN 13 H ASN 13 -1.839 6.705 3.892
101 HA ASN 13 HA ASN 13 -2.259 4.766 6.050
102 HB2 ASN 13 2HB ASN 13 -4.144 6.261 6.108
103 HB3 ASN 13 1HB ASN 13 -4.405 6.056 4.380
104 HD21 ASN 13 1HD2 ASN 13 -4.622 4.513 7.492
105 HD22 ASN 13 2HD2 ASN 13 -5.741 3.284 7.028
106 H ASP 14 H ASP 14 -1.573 2.954 5.473
107 HA ASP 14 HA ASP 14 -1.216 1.987 2.801
108 HB2 ASP 14 2HB ASP 14 0.250 1.326 4.684
109 HB3 ASP 14 1HB ASP 14 -1.112 0.529 5.452
110 H LYS 15 H LYS 15 -2.672 0.943 1.579
111 HA LYS 15 HA LYS 15 -4.800 -0.602 2.893
112 HB2 LYS 15 2HB LYS 15 -5.044 1.076 0.379
113 HB3 LYS 15 1HB LYS 15 -6.274 -0.040 0.932
114 HG2 LYS 15 2HG LYS 15 -5.353 2.448 2.381
115 HG3 LYS 15 1HG LYS 15 -6.843 2.286 1.461
116 HD2 LYS 15 2HD LYS 15 -6.124 0.755 3.976
117 HD3 LYS 15 1HD LYS 15 -7.231 2.116 3.883
118 HE2 LYS 15 2HE LYS 15 -7.580 -0.559 2.546
119 HE3 LYS 15 1HE LYS 15 -8.425 -0.021 3.992
120 HZ1 LYS 15 3HZ LYS 15 -8.655 1.192 1.290
121 HZ2 LYS 15 1HZ LYS 15 -9.475 1.730 2.659
122 HZ3 LYS 15 2HZ LYS 15 -9.801 0.219 1.995
123 H CYS 16 H CYS 16 -2.130 -1.275 1.909
124 HA CYS 16 HA CYS 16 -2.474 -2.602 -0.623
125 HB2 CYS 16 2HB CYS 16 -0.149 -2.803 1.312
126 HB3 CYS 16 1HB CYS 16 -0.129 -3.166 -0.407
127 H CYS 17 H CYS 17 -2.088 -4.944 -0.849
128 HA CYS 17 HA CYS 17 -3.645 -6.506 0.886
129 HB2 CYS 17 2HB CYS 17 -1.734 -7.321 -1.295
130 HB3 CYS 17 1HB CYS 17 -2.828 -8.429 -0.472
131 H SER 18 H SER 18 -2.971 -8.611 1.870
132 HA SER 18 HA SER 18 -1.152 -8.190 3.946
133 HB2 SER 18 2HB SER 18 -2.338 -10.766 2.910
134 HB3 SER 18 1HB SER 18 -1.676 -10.502 4.525
135 HG SER 18 HG SER 18 -3.974 -10.340 4.388
136 H GLY 19 H GLY 19 0.986 -8.189 3.820
137 HA2 GLY 19 2HA GLY 19 3.050 -9.358 3.466
138 HA3 GLY 19 1HA GLY 19 2.325 -10.134 2.058
139 H LEU 20 H LEU 20 1.239 -7.140 1.867
140 HA LEU 20 HA LEU 20 3.477 -6.176 0.270
141 HB2 LEU 20 2HB LEU 20 1.241 -6.939 -0.752
142 HB3 LEU 20 1HB LEU 20 0.566 -5.520 0.013
143 HG LEU 20 HG LEU 20 2.143 -4.132 -1.289
144 HD11 LEU 20 1HD1 LEU 20 3.832 -5.833 -1.637
145 HD12 LEU 20 2HD1 LEU 20 3.248 -5.164 -3.165
146 HD13 LEU 20 3HD1 LEU 20 2.703 -6.765 -2.623
147 HD21 LEU 20 3HD2 LEU 20 0.385 -5.986 -2.842
148 HD22 LEU 20 1HD2 LEU 20 1.003 -4.437 -3.388
149 HD23 LEU 20 2HD2 LEU 20 -0.135 -4.502 -2.033
150 H LYS 21 H LYS 21 3.760 -3.801 0.471
151 HA LYS 21 HA LYS 21 2.290 -2.573 2.659
152 HB2 LYS 21 2HB LYS 21 4.344 -3.833 3.527
153 HB3 LYS 21 1HB LYS 21 5.277 -2.601 2.682
154 HG2 LYS 21 2HG LYS 21 5.131 -1.978 4.979
155 HG3 LYS 21 1HG LYS 21 4.117 -0.878 4.040
156 HD2 LYS 21 2HD LYS 21 2.133 -2.183 4.644
157 HD3 LYS 21 1HD LYS 21 3.146 -3.293 5.568
158 HE2 LYS 21 2HE LYS 21 3.820 -1.412 6.995
159 HE3 LYS 21 1HE LYS 21 2.723 -0.365 6.096
160 HZ1 LYS 21 3HZ LYS 21 1.703 -1.149 8.128
161 HZ2 LYS 21 1HZ LYS 21 1.964 -2.757 7.673
162 HZ3 LYS 21 2HZ LYS 21 0.887 -1.799 6.799
163 H CYS 22 H CYS 22 2.168 -0.480 2.453
164 HA CYS 22 HA CYS 22 3.099 0.919 0.135
165 HB2 CYS 22 2HB CYS 22 0.944 1.460 1.196
166 HB3 CYS 22 1HB CYS 22 1.754 1.825 2.708
167 H GLY 23 H GLY 23 5.071 1.787 -0.050
168 HA2 GLY 23 2HA GLY 23 6.973 1.509 2.041
169 HA3 GLY 23 1HA GLY 23 7.252 2.256 0.476
170 H SER 24 H SER 24 8.478 3.310 2.590
171 HA SER 24 HA SER 24 6.892 5.585 3.429
172 HB2 SER 24 2HB SER 24 9.004 6.033 4.807
173 HB3 SER 24 1HB SER 24 8.041 4.626 5.258
174 HG SER 24 HG SER 24 9.543 3.313 4.479
175 H ASN 25 H ASN 25 9.845 4.801 1.691
176 HA ASN 25 HA ASN 25 10.097 7.569 0.780
177 HB2 ASN 25 2HB ASN 25 11.944 5.190 0.566
178 HB3 ASN 25 1HB ASN 25 12.217 6.668 -0.345
179 HD21 ASN 25 1HD2 ASN 25 12.878 8.484 0.718
180 HD22 ASN 25 2HD2 ASN 25 13.459 8.484 2.342
181 H HIS 26 H HIS 26 8.346 5.083 -0.054
182 HA HIS 26 HA HIS 26 8.290 5.838 -2.875
183 HB2 HIS 26 2HB HIS 26 8.177 3.009 -1.775
184 HB3 HIS 26 1HB HIS 26 7.787 3.421 -3.432
185 HD1 HIS 26 1HD HIS 26 9.856 4.266 -4.925
186 HD2 HIS 26 2HD HIS 26 10.764 2.668 -1.223
187 HE1 HIS 26 1HE HIS 26 12.319 3.732 -4.998
188 H ASN 27 H ASN 27 6.210 6.278 -3.516
189 HA ASN 27 HA ASN 27 4.216 5.975 -1.425
190 HB2 ASN 27 2HB ASN 27 4.594 8.235 -2.453
191 HB3 ASN 27 1HB ASN 27 4.001 7.598 -3.982
192 HD21 ASN 27 1HD2 ASN 27 2.650 6.744 -0.856
193 HD22 ASN 27 2HD2 ASN 27 1.115 7.473 -1.133
194 H TRP 28 H TRP 28 4.943 3.664 -2.840
195 HA TRP 28 HA TRP 28 2.323 2.994 -3.822
196 HB2 TRP 28 2HB TRP 28 3.363 1.595 -5.685
197 HB3 TRP 28 1HB TRP 28 3.350 3.334 -5.906
198 HD1 TRP 28 HD TRP 28 6.027 1.496 -3.841
199 HE1 TRP 28 1HE TRP 28 8.299 1.798 -5.016
200 HE3 TRP 28 3HE TRP 28 4.459 3.877 -8.058
201 HZ2 TRP 28 2HZ TRP 28 9.278 2.850 -7.359
202 HZ3 TRP 28 3HZ TRP 28 6.146 4.516 -9.745
203 HH2 TRP 28 HH TRP 28 8.513 4.018 -9.405
204 H CYS 29 H CYS 29 1.918 0.724 -3.954
205 HA CYS 29 HA CYS 29 2.747 -0.607 -1.562
206 HB2 CYS 29 2HB CYS 29 0.984 -1.414 -3.848
207 HB3 CYS 29 1HB CYS 29 1.215 -2.414 -2.439
208 H LYS 30 H LYS 30 4.689 -1.503 -1.539
209 HA LYS 30 HA LYS 30 5.330 -3.403 -3.667
210 HB2 LYS 30 2HB LYS 30 7.295 -1.622 -2.185
211 HB3 LYS 30 1HB LYS 30 7.772 -2.961 -3.214
212 HG2 LYS 30 2HG LYS 30 6.280 -0.495 -4.081
213 HG3 LYS 30 1HG LYS 30 7.981 -0.826 -4.399
214 HD2 LYS 30 2HD LYS 30 7.322 -2.793 -5.741
215 HD3 LYS 30 1HD LYS 30 5.628 -2.443 -5.407
216 HE2 LYS 30 2HE LYS 30 6.147 -1.611 -7.591
217 HE3 LYS 30 1HE LYS 30 5.928 -0.237 -6.510
218 HZ1 LYS 30 3HZ LYS 30 8.489 -1.334 -7.492
219 HZ2 LYS 30 1HZ LYS 30 8.378 -0.111 -6.331
220 HZ3 LYS 30 2HZ LYS 30 7.790 0.134 -7.881
221 H LEU 31 H LEU 31 7.330 -4.828 -2.529
222 HA LEU 31 HA LEU 31 5.775 -6.469 -0.864
223 HB2 LEU 31 2HB LEU 31 8.707 -6.512 -1.458
224 HB3 LEU 31 1HB LEU 31 7.891 -7.737 -0.513
225 HG LEU 31 HG LEU 31 7.251 -7.075 -3.384
226 HD11 LEU 31 1HD1 LEU 31 8.780 -9.356 -2.175
227 HD12 LEU 31 2HD1 LEU 31 9.438 -8.057 -3.174
228 HD13 LEU 31 3HD1 LEU 31 8.306 -9.217 -3.869
229 HD21 LEU 31 3HD2 LEU 31 5.313 -7.949 -2.210
230 HD22 LEU 31 1HD2 LEU 31 6.286 -9.271 -1.556
231 HD23 LEU 31 2HD2 LEU 31 5.977 -9.178 -3.281
232 H HIS 32 H HIS 32 5.733 -6.944 1.228
233 HA HIS 32 HA HIS 32 6.750 -5.007 3.080
234 HB2 HIS 32 2HB HIS 32 4.523 -6.070 3.383
235 HB3 HIS 32 1HB HIS 32 5.309 -7.636 3.523
236 HD1 HIS 32 1HD HIS 32 5.816 -8.365 5.874
237 HD2 HIS 32 2HD HIS 32 5.237 -4.270 5.570
238 HE1 HIS 32 1HE HIS 32 5.856 -7.480 8.229
239 H LEU 33 H LEU 33 8.830 -5.114 3.126
240 HA LEU 33 HA LEU 33 10.172 -7.446 4.166
241 HB2 LEU 33 2HB LEU 33 10.334 -7.766 1.737
242 HB3 LEU 33 1HB LEU 33 10.915 -6.134 1.531
243 HG LEU 33 HG LEU 33 12.988 -6.748 2.750
244 HD11 LEU 33 1HD1 LEU 33 12.114 -8.569 4.094
245 HD12 LEU 33 2HD1 LEU 33 13.507 -9.084 3.146
246 HD13 LEU 33 3HD1 LEU 33 11.881 -9.543 2.642
247 HD21 LEU 33 3HD2 LEU 33 12.329 -8.465 0.363
248 HD22 LEU 33 1HD2 LEU 33 13.951 -8.091 0.947
249 HD23 LEU 33 2HD2 LEU 33 12.921 -6.803 0.322
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 -11.173 -3.131 -1.801
2 H2 ASP 1 2HT ASP 1 -11.943 -3.885 -3.096
3 H3 ASP 1 3HT ASP 1 -10.732 -2.735 -3.370
4 HA ASP 1 HA ASP 1 -10.281 -5.338 -2.059
5 HB2 ASP 1 2HB ASP 1 -8.979 -5.888 -4.068
6 HB3 ASP 1 1HB ASP 1 -10.649 -5.570 -4.504
7 H CYS 2 H CYS 2 -7.953 -5.732 -1.718
8 HA CYS 2 HA CYS 2 -6.780 -3.366 -0.664
9 HB2 CYS 2 2HB CYS 2 -4.871 -4.863 -0.042
10 HB3 CYS 2 1HB CYS 2 -6.422 -5.407 0.575
11 H LEU 3 H LEU 3 -4.837 -2.445 -1.249
12 HA LEU 3 HA LEU 3 -4.550 -2.176 -4.046
13 HB2 LEU 3 2HB LEU 3 -2.702 -1.183 -1.879
14 HB3 LEU 3 1HB LEU 3 -2.783 -0.629 -3.533
15 HG LEU 3 HG LEU 3 -4.954 -0.306 -1.498
16 HD11 LEU 3 1HD1 LEU 3 -2.995 1.656 -2.660
17 HD12 LEU 3 2HD1 LEU 3 -2.995 1.049 -1.002
18 HD13 LEU 3 3HD1 LEU 3 -4.320 2.070 -1.573
19 HD21 LEU 3 3HD2 LEU 3 -4.684 0.815 -4.275
20 HD22 LEU 3 1HD2 LEU 3 -5.981 1.173 -3.138
21 HD23 LEU 3 2HD2 LEU 3 -5.801 -0.462 -3.788
22 H LYS 4 H LYS 4 -3.248 -3.144 -5.299
23 HA LYS 4 HA LYS 4 -1.830 -5.447 -4.257
24 HB2 LYS 4 2HB LYS 4 -2.732 -4.696 -7.027
25 HB3 LYS 4 1HB LYS 4 -1.884 -6.190 -6.636
26 HG2 LYS 4 2HG LYS 4 -3.667 -6.952 -5.270
27 HG3 LYS 4 1HG LYS 4 -4.449 -5.377 -5.308
28 HD2 LYS 4 2HD LYS 4 -4.950 -5.636 -7.650
29 HD3 LYS 4 1HD LYS 4 -4.050 -7.154 -7.706
30 HE2 LYS 4 2HE LYS 4 -6.512 -7.470 -7.552
31 HE3 LYS 4 1HE LYS 4 -5.623 -8.207 -6.226
32 HZ1 LYS 4 3HZ LYS 4 -7.578 -7.089 -5.453
33 HZ2 LYS 4 1HZ LYS 4 -7.102 -5.588 -6.040
34 HZ3 LYS 4 2HZ LYS 4 -6.240 -6.342 -4.811
35 H PHE 5 H PHE 5 0.041 -6.038 -5.981
36 HA PHE 5 HA PHE 5 2.170 -4.430 -5.176
37 HB2 PHE 5 2HB PHE 5 2.370 -6.822 -5.709
38 HB3 PHE 5 1HB PHE 5 2.069 -6.468 -7.404
39 HD1 PHE 5 1HD PHE 5 4.403 -5.811 -4.625
40 HD2 PHE 5 2HD PHE 5 3.836 -5.923 -8.832
41 HE1 PHE 5 1HE PHE 5 6.817 -5.511 -4.952
42 HE2 PHE 5 2HE PHE 5 6.250 -5.618 -9.170
43 HZ PHE 5 HZ PHE 5 7.743 -5.415 -7.221
44 H GLY 6 H GLY 6 2.771 -2.550 -5.855
45 HA2 GLY 6 2HA GLY 6 3.597 -1.055 -7.442
46 HA3 GLY 6 1HA GLY 6 2.797 -1.984 -8.701
47 H TRP 7 H TRP 7 0.595 -1.526 -6.232
48 HA TRP 7 HA TRP 7 -0.724 0.417 -7.867
49 HB2 TRP 7 2HB TRP 7 -1.570 -1.009 -5.354
50 HB3 TRP 7 1HB TRP 7 -2.508 0.314 -6.052
51 HD1 TRP 7 HD TRP 7 -0.835 -2.338 -8.272
52 HE1 TRP 7 1HE TRP 7 -2.676 -3.699 -9.454
53 HE3 TRP 7 3HE TRP 7 -4.913 -0.438 -5.876
54 HZ2 TRP 7 2HZ TRP 7 -5.480 -3.932 -9.374
55 HZ3 TRP 7 3HZ TRP 7 -7.138 -1.283 -6.481
56 HH2 TRP 7 HH TRP 7 -7.416 -2.990 -8.192
57 H LYS 8 H LYS 8 -1.103 2.440 -7.449
58 HA LYS 8 HA LYS 8 0.815 3.780 -5.795
59 HB2 LYS 8 2HB LYS 8 -1.516 4.946 -7.328
60 HB3 LYS 8 1HB LYS 8 -0.141 5.836 -6.691
61 HG2 LYS 8 2HG LYS 8 -0.040 3.744 -8.861
62 HG3 LYS 8 1HG LYS 8 0.071 5.487 -9.088
63 HD2 LYS 8 2HD LYS 8 2.153 5.554 -7.852
64 HD3 LYS 8 1HD LYS 8 2.003 3.841 -7.464
65 HE2 LYS 8 2HE LYS 8 3.588 4.160 -9.280
66 HE3 LYS 8 1HE LYS 8 2.167 3.290 -9.857
67 HZ1 LYS 8 3HZ LYS 8 2.835 6.143 -10.276
68 HZ2 LYS 8 1HZ LYS 8 1.379 5.447 -10.778
69 HZ3 LYS 8 2HZ LYS 8 2.847 4.936 -11.417
70 H CYS 9 H CYS 9 0.576 4.440 -3.811
71 HA CYS 9 HA CYS 9 -2.099 4.374 -2.597
72 HB2 CYS 9 2HB CYS 9 -1.015 3.274 -0.664
73 HB3 CYS 9 1HB CYS 9 -0.977 2.288 -2.126
74 H ASN 10 H ASN 10 -1.896 5.322 -0.324
75 HA ASN 10 HA ASN 10 -0.028 7.571 -0.300
76 HB2 ASN 10 2HB ASN 10 -2.772 7.293 0.980
77 HB3 ASN 10 1HB ASN 10 -1.676 8.635 1.277
78 HD21 ASN 10 1HD2 ASN 10 -4.367 8.577 0.135
79 HD22 ASN 10 2HD2 ASN 10 -4.248 9.323 -1.410
80 HA PRO 11 HA PRO 11 1.889 5.023 2.808
81 HB2 PRO 11 2HB PRO 11 3.368 6.999 4.027
82 HB3 PRO 11 1HB PRO 11 3.834 6.181 2.532
83 HG2 PRO 11 2HG PRO 11 2.441 8.808 2.889
84 HG3 PRO 11 1HG PRO 11 3.780 8.398 1.803
85 HD2 PRO 11 2HD PRO 11 1.311 8.569 0.874
86 HD3 PRO 11 1HD PRO 11 2.379 7.261 0.317
87 H ARG 12 H ARG 12 0.129 7.864 3.586
88 HA ARG 12 HA ARG 12 0.089 7.490 6.419
89 HB2 ARG 12 2HB ARG 12 -1.529 9.191 4.579
90 HB3 ARG 12 1HB ARG 12 -1.780 9.158 6.317
91 HG2 ARG 12 2HG ARG 12 0.563 9.902 6.608
92 HG3 ARG 12 1HG ARG 12 0.719 9.993 4.850
93 HD2 ARG 12 2HD ARG 12 -1.071 11.620 4.760
94 HD3 ARG 12 1HD ARG 12 -1.289 11.475 6.505
95 HE ARG 12 HE ARG 12 1.360 12.211 5.814
96 HH11 ARG 12 1HH1 ARG 12 -1.906 13.484 6.215
97 HH12 ARG 12 2HH1 ARG 12 -1.424 15.077 6.583
98 HH21 ARG 12 1HH2 ARG 12 2.074 14.411 6.354
99 HH22 ARG 12 2HH2 ARG 12 0.922 15.602 6.672
100 H ASN 13 H ASN 13 -1.830 6.392 3.761
101 HA ASN 13 HA ASN 13 -3.576 4.993 5.639
102 HB2 ASN 13 2HB ASN 13 -4.859 6.883 4.651
103 HB3 ASN 13 1HB ASN 13 -4.480 6.282 3.045
104 HD21 ASN 13 1HD2 ASN 13 -6.323 5.728 5.932
105 HD22 ASN 13 2HD2 ASN 13 -7.427 4.584 5.255
106 H ASP 14 H ASP 14 -2.394 3.191 5.444
107 HA ASP 14 HA ASP 14 -1.661 2.123 2.867
108 HB2 ASP 14 2HB ASP 14 -0.244 1.814 4.921
109 HB3 ASP 14 1HB ASP 14 -1.510 0.775 5.560
110 H LYS 15 H LYS 15 -2.904 0.943 1.698
111 HA LYS 15 HA LYS 15 -4.910 -0.767 2.965
112 HB2 LYS 15 2HB LYS 15 -5.270 0.924 0.491
113 HB3 LYS 15 1HB LYS 15 -6.350 -0.385 0.935
114 HG2 LYS 15 2HG LYS 15 -5.867 2.166 2.478
115 HG3 LYS 15 1HG LYS 15 -7.305 1.756 1.548
116 HD2 LYS 15 2HD LYS 15 -6.329 0.325 4.035
117 HD3 LYS 15 1HD LYS 15 -7.660 1.464 3.965
118 HE2 LYS 15 2HE LYS 15 -7.554 -1.172 2.493
119 HE3 LYS 15 1HE LYS 15 -8.391 -0.909 4.016
120 HZ1 LYS 15 3HZ LYS 15 -9.837 0.689 2.868
121 HZ2 LYS 15 1HZ LYS 15 -9.902 -0.831 2.153
122 HZ3 LYS 15 2HZ LYS 15 -9.036 0.382 1.410
123 H CYS 16 H CYS 16 -2.147 -1.203 2.012
124 HA CYS 16 HA CYS 16 -2.469 -2.580 -0.502
125 HB2 CYS 16 2HB CYS 16 -0.090 -2.655 1.366
126 HB3 CYS 16 1HB CYS 16 -0.114 -3.099 -0.330
127 H CYS 17 H CYS 17 -2.088 -4.818 -0.757
128 HA CYS 17 HA CYS 17 -3.552 -6.462 0.939
129 HB2 CYS 17 2HB CYS 17 -1.519 -7.189 -1.162
130 HB3 CYS 17 1HB CYS 17 -2.682 -8.314 -0.474
131 H SER 18 H SER 18 -2.655 -8.623 1.839
132 HA SER 18 HA SER 18 -0.932 -8.016 3.977
133 HB2 SER 18 2HB SER 18 -1.875 -10.689 2.963
134 HB3 SER 18 1HB SER 18 -1.290 -10.330 4.592
135 HG SER 18 HG SER 18 -3.079 -8.736 4.605
136 H GLY 19 H GLY 19 1.258 -8.181 4.080
137 HA2 GLY 19 2HA GLY 19 3.369 -9.104 3.616
138 HA3 GLY 19 1HA GLY 19 2.659 -9.969 2.254
139 H LEU 20 H LEU 20 1.507 -6.936 2.183
140 HA LEU 20 HA LEU 20 3.590 -5.958 0.370
141 HB2 LEU 20 2HB LEU 20 1.220 -6.906 -0.381
142 HB3 LEU 20 1HB LEU 20 0.694 -5.323 0.135
143 HG LEU 20 HG LEU 20 2.318 -4.344 -1.493
144 HD11 LEU 20 1HD1 LEU 20 3.819 -6.216 -1.688
145 HD12 LEU 20 2HD1 LEU 20 3.073 -5.885 -3.264
146 HD13 LEU 20 3HD1 LEU 20 2.513 -7.238 -2.278
147 HD21 LEU 20 3HD2 LEU 20 -0.037 -4.550 -1.999
148 HD22 LEU 20 1HD2 LEU 20 0.222 -6.215 -2.534
149 HD23 LEU 20 2HD2 LEU 20 0.963 -4.889 -3.418
150 H LYS 21 H LYS 21 3.851 -3.626 0.591
151 HA LYS 21 HA LYS 21 2.199 -2.314 2.588
152 HB2 LYS 21 2HB LYS 21 3.964 -3.283 3.909
153 HB3 LYS 21 1HB LYS 21 5.184 -2.567 2.854
154 HG2 LYS 21 2HG LYS 21 4.438 -0.333 3.545
155 HG3 LYS 21 1HG LYS 21 3.267 -1.076 4.629
156 HD2 LYS 21 2HD LYS 21 5.002 -2.020 5.967
157 HD3 LYS 21 1HD LYS 21 6.233 -1.548 4.791
158 HE2 LYS 21 2HE LYS 21 4.497 0.358 6.353
159 HE3 LYS 21 1HE LYS 21 6.168 -0.043 6.744
160 HZ1 LYS 21 3HZ LYS 21 6.818 0.842 4.565
161 HZ2 LYS 21 1HZ LYS 21 6.073 2.015 5.515
162 HZ3 LYS 21 2HZ LYS 21 5.227 1.298 4.252
163 H CYS 22 H CYS 22 2.054 -0.196 2.402
164 HA CYS 22 HA CYS 22 3.050 1.063 0.006
165 HB2 CYS 22 2HB CYS 22 0.734 1.447 0.904
166 HB3 CYS 22 1HB CYS 22 1.456 2.220 2.311
167 H GLY 23 H GLY 23 4.796 2.359 -0.020
168 HA2 GLY 23 2HA GLY 23 6.253 2.541 2.498
169 HA3 GLY 23 1HA GLY 23 6.938 2.660 0.885
170 H SER 24 H SER 24 7.738 4.418 2.616
171 HA SER 24 HA SER 24 6.254 6.868 2.108
172 HB2 SER 24 2HB SER 24 8.000 7.730 3.763
173 HB3 SER 24 1HB SER 24 6.799 6.597 4.400
174 HG SER 24 HG SER 24 9.426 6.383 4.396
175 H ASN 25 H ASN 25 9.131 5.086 1.423
176 HA ASN 25 HA ASN 25 10.543 7.227 0.116
177 HB2 ASN 25 2HB ASN 25 11.686 5.322 1.251
178 HB3 ASN 25 1HB ASN 25 10.976 4.243 0.060
179 HD21 ASN 25 1HD2 ASN 25 12.925 3.544 -0.654
180 HD22 ASN 25 2HD2 ASN 25 13.973 4.521 -1.626
181 H HIS 26 H HIS 26 8.273 4.760 -0.644
182 HA HIS 26 HA HIS 26 8.387 5.499 -3.470
183 HB2 HIS 26 2HB HIS 26 7.920 2.738 -2.316
184 HB3 HIS 26 1HB HIS 26 7.772 3.157 -4.020
185 HD1 HIS 26 1HD HIS 26 10.077 1.671 -1.737
186 HD2 HIS 26 2HD HIS 26 10.299 4.316 -4.885
187 HE1 HIS 26 1HE HIS 26 12.475 1.587 -2.508
188 H ASN 27 H ASN 27 6.381 5.662 -4.467
189 HA ASN 27 HA ASN 27 4.239 6.292 -2.574
190 HB2 ASN 27 2HB ASN 27 4.371 6.872 -5.545
191 HB3 ASN 27 1HB ASN 27 3.246 7.549 -4.385
192 HD21 ASN 27 1HD2 ASN 27 5.453 7.919 -2.397
193 HD22 ASN 27 2HD2 ASN 27 6.321 9.289 -2.945
194 H TRP 28 H TRP 28 4.896 3.566 -3.389
195 HA TRP 28 HA TRP 28 2.267 2.773 -4.279
196 HB2 TRP 28 2HB TRP 28 3.236 1.111 -5.913
197 HB3 TRP 28 1HB TRP 28 3.337 2.794 -6.394
198 HD1 TRP 28 HD TRP 28 5.946 1.392 -3.993
199 HE1 TRP 28 1HE TRP 28 8.215 1.235 -5.215
200 HE3 TRP 28 3HE TRP 28 4.413 2.505 -8.699
201 HZ2 TRP 28 2HZ TRP 28 9.202 1.510 -7.782
202 HZ3 TRP 28 3HZ TRP 28 6.079 2.546 -10.497
203 HH2 TRP 28 HH TRP 28 8.432 2.061 -10.056
204 H CYS 29 H CYS 29 1.888 0.508 -4.096
205 HA CYS 29 HA CYS 29 2.780 -0.599 -1.616
206 HB2 CYS 29 2HB CYS 29 1.044 -1.605 -3.834
207 HB3 CYS 29 1HB CYS 29 1.255 -2.514 -2.370
208 H LYS 30 H LYS 30 4.732 -1.568 -1.491
209 HA LYS 30 HA LYS 30 5.529 -3.407 -3.670
210 HB2 LYS 30 2HB LYS 30 7.348 -1.982 -1.704
211 HB3 LYS 30 1HB LYS 30 7.877 -3.155 -2.886
212 HG2 LYS 30 2HG LYS 30 6.672 -0.470 -3.467
213 HG3 LYS 30 1HG LYS 30 8.382 -0.869 -3.539
214 HD2 LYS 30 2HD LYS 30 6.224 -2.100 -5.274
215 HD3 LYS 30 1HD LYS 30 7.286 -0.788 -5.761
216 HE2 LYS 30 2HE LYS 30 8.051 -3.643 -5.146
217 HE3 LYS 30 1HE LYS 30 8.097 -2.779 -6.683
218 HZ1 LYS 30 3HZ LYS 30 9.863 -1.414 -5.911
219 HZ2 LYS 30 1HZ LYS 30 10.282 -3.009 -5.698
220 HZ3 LYS 30 2HZ LYS 30 9.840 -2.104 -4.370
221 H LEU 31 H LEU 31 7.314 -4.998 -2.476
222 HA LEU 31 HA LEU 31 5.648 -6.639 -0.849
223 HB2 LEU 31 2HB LEU 31 8.592 -6.864 -1.462
224 HB3 LEU 31 1HB LEU 31 7.595 -8.119 -0.769
225 HG LEU 31 HG LEU 31 7.354 -7.008 -3.564
226 HD11 LEU 31 1HD1 LEU 31 8.349 -9.664 -2.562
227 HD12 LEU 31 2HD1 LEU 31 9.322 -8.379 -3.281
228 HD13 LEU 31 3HD1 LEU 31 8.116 -9.222 -4.253
229 HD21 LEU 31 3HD2 LEU 31 5.170 -7.678 -2.725
230 HD22 LEU 31 1HD2 LEU 31 5.828 -9.232 -2.209
231 HD23 LEU 31 2HD2 LEU 31 5.748 -8.832 -3.923
232 H HIS 32 H HIS 32 6.003 -7.247 1.292
233 HA HIS 32 HA HIS 32 7.457 -5.258 2.845
234 HB2 HIS 32 2HB HIS 32 5.057 -5.728 3.412
235 HB3 HIS 32 1HB HIS 32 5.535 -7.379 3.811
236 HD1 HIS 32 1HD HIS 32 6.162 -7.749 6.224
237 HD2 HIS 32 2HD HIS 32 6.375 -3.759 5.108
238 HE1 HIS 32 1HE HIS 32 6.686 -6.463 8.330
239 H LEU 33 H LEU 33 9.452 -5.936 2.575
240 HA LEU 33 HA LEU 33 10.271 -8.359 3.915
241 HB2 LEU 33 2HB LEU 33 9.968 -8.977 1.525
242 HB3 LEU 33 1HB LEU 33 11.051 -7.683 1.064
243 HG LEU 33 HG LEU 33 12.906 -8.849 2.219
244 HD11 LEU 33 1HD1 LEU 33 10.878 -11.033 2.634
245 HD12 LEU 33 2HD1 LEU 33 11.639 -10.055 3.892
246 HD13 LEU 33 3HD1 LEU 33 12.611 -11.166 2.930
247 HD21 LEU 33 3HD2 LEU 33 11.434 -10.519 0.184
248 HD22 LEU 33 1HD2 LEU 33 13.143 -10.662 0.594
249 HD23 LEU 33 2HD2 LEU 33 12.539 -9.191 -0.169
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 -10.674 -3.096 -3.667
2 H2 ASP 1 2HT ASP 1 -11.144 -2.936 -2.061
3 H3 ASP 1 3HT ASP 1 -11.996 -3.985 -3.075
4 HA ASP 1 HA ASP 1 -10.516 -5.159 -1.555
5 HB2 ASP 1 2HB ASP 1 -10.927 -5.902 -4.022
6 HB3 ASP 1 1HB ASP 1 -9.320 -5.260 -4.340
7 H CYS 2 H CYS 2 -7.902 -5.755 -1.835
8 HA CYS 2 HA CYS 2 -6.744 -3.390 -0.676
9 HB2 CYS 2 2HB CYS 2 -4.795 -4.887 -0.270
10 HB3 CYS 2 1HB CYS 2 -6.296 -5.478 0.424
11 H LEU 3 H LEU 3 -4.774 -2.449 -1.344
12 HA LEU 3 HA LEU 3 -4.510 -2.188 -4.178
13 HB2 LEU 3 2HB LEU 3 -2.653 -1.198 -2.019
14 HB3 LEU 3 1HB LEU 3 -2.704 -0.679 -3.683
15 HG LEU 3 HG LEU 3 -4.878 -0.250 -1.682
16 HD11 LEU 3 1HD1 LEU 3 -2.817 1.618 -2.843
17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.010 -1.189
18 HD13 LEU 3 3HD1 LEU 3 -4.126 2.084 -1.759
19 HD21 LEU 3 3HD2 LEU 3 -5.795 1.265 -3.375
20 HD22 LEU 3 1HD2 LEU 3 -5.695 -0.395 -3.974
21 HD23 LEU 3 2HD2 LEU 3 -4.495 0.800 -4.472
22 H LYS 4 H LYS 4 -3.007 -3.083 -5.414
23 HA LYS 4 HA LYS 4 -1.629 -5.330 -4.177
24 HB2 LYS 4 2HB LYS 4 -2.454 -4.944 -7.050
25 HB3 LYS 4 1HB LYS 4 -1.809 -6.434 -6.352
26 HG2 LYS 4 2HG LYS 4 -3.687 -6.481 -4.769
27 HG3 LYS 4 1HG LYS 4 -4.349 -5.049 -5.529
28 HD2 LYS 4 2HD LYS 4 -4.591 -6.359 -7.623
29 HD3 LYS 4 1HD LYS 4 -4.047 -7.793 -6.738
30 HE2 LYS 4 2HE LYS 4 -6.488 -6.112 -6.153
31 HE3 LYS 4 1HE LYS 4 -6.454 -7.782 -6.717
32 HZ1 LYS 4 3HZ LYS 4 -6.892 -7.505 -4.283
33 HZ2 LYS 4 1HZ LYS 4 -5.348 -6.894 -4.108
34 HZ3 LYS 4 2HZ LYS 4 -5.551 -8.486 -4.608
35 H PHE 5 H PHE 5 0.287 -6.047 -5.761
36 HA PHE 5 HA PHE 5 2.322 -4.275 -5.104
37 HB2 PHE 5 2HB PHE 5 2.584 -6.727 -5.398
38 HB3 PHE 5 1HB PHE 5 2.422 -6.510 -7.133
39 HD1 PHE 5 2HD PHE 5 4.456 -5.098 -4.330
40 HD2 PHE 5 1HD PHE 5 4.386 -6.532 -8.331
41 HE1 PHE 5 2HE PHE 5 6.884 -4.784 -4.480
42 HE2 PHE 5 1HE PHE 5 6.818 -6.219 -8.481
43 HZ PHE 5 HZ PHE 5 8.068 -5.344 -6.553
44 H GLY 6 H GLY 6 2.909 -2.472 -5.939
45 HA2 GLY 6 2HA GLY 6 3.731 -1.131 -7.689
46 HA3 GLY 6 1HA GLY 6 2.822 -2.108 -8.833
47 H TRP 7 H TRP 7 0.645 -1.593 -6.439
48 HA TRP 7 HA TRP 7 -0.637 0.384 -8.050
49 HB2 TRP 7 2HB TRP 7 -1.471 -0.996 -5.496
50 HB3 TRP 7 1HB TRP 7 -2.439 0.278 -6.220
51 HD1 TRP 7 HD TRP 7 -0.746 -2.439 -8.308
52 HE1 TRP 7 1HE TRP 7 -2.590 -3.931 -9.390
53 HE3 TRP 7 3HE TRP 7 -4.829 -0.452 -6.029
54 HZ2 TRP 7 2HZ TRP 7 -5.382 -4.182 -9.278
55 HZ3 TRP 7 3HZ TRP 7 -7.050 -1.358 -6.557
56 HH2 TRP 7 HH TRP 7 -7.319 -3.178 -8.146
57 H LYS 8 H LYS 8 -1.081 2.531 -7.395
58 HA LYS 8 HA LYS 8 0.861 3.553 -5.576
59 HB2 LYS 8 2HB LYS 8 0.142 5.775 -6.189
60 HB3 LYS 8 1HB LYS 8 0.248 4.814 -7.643
61 HG2 LYS 8 2HG LYS 8 -1.681 5.979 -8.025
62 HG3 LYS 8 1HG LYS 8 -2.343 4.542 -7.250
63 HD2 LYS 8 2HD LYS 8 -2.392 5.715 -5.099
64 HD3 LYS 8 1HD LYS 8 -1.706 7.149 -5.859
65 HE2 LYS 8 2HE LYS 8 -4.082 7.418 -5.601
66 HE3 LYS 8 1HE LYS 8 -3.677 7.297 -7.311
67 HZ1 LYS 8 3HZ LYS 8 -5.632 5.967 -6.767
68 HZ2 LYS 8 1HZ LYS 8 -4.754 5.093 -5.635
69 HZ3 LYS 8 2HZ LYS 8 -4.383 4.967 -7.265
70 H CYS 9 H CYS 9 0.594 4.354 -3.603
71 HA CYS 9 HA CYS 9 -1.911 3.541 -2.296
72 HB2 CYS 9 2HB CYS 9 -0.433 3.093 -0.329
73 HB3 CYS 9 1HB CYS 9 -0.111 2.062 -1.724
74 H ASN 10 H ASN 10 -1.563 4.591 0.144
75 HA ASN 10 HA ASN 10 -1.071 7.431 -0.256
76 HB2 ASN 10 2HB ASN 10 -3.248 6.077 1.357
77 HB3 ASN 10 1HB ASN 10 -2.800 7.749 1.635
78 HD21 ASN 10 1HD2 ASN 10 -5.305 6.632 0.773
79 HD22 ASN 10 2HD2 ASN 10 -5.695 7.364 -0.735
80 HA PRO 11 HA PRO 11 2.235 6.463 2.499
81 HB2 PRO 11 2HB PRO 11 2.702 9.046 3.364
82 HB3 PRO 11 1HB PRO 11 3.359 8.336 1.890
83 HG2 PRO 11 2HG PRO 11 0.965 10.079 2.261
84 HG3 PRO 11 1HG PRO 11 2.184 10.111 0.976
85 HD2 PRO 11 2HD PRO 11 -0.217 9.058 0.564
86 HD3 PRO 11 1HD PRO 11 1.228 8.296 -0.134
87 H ARG 12 H ARG 12 -0.569 8.167 3.640
88 HA ARG 12 HA ARG 12 0.262 7.800 6.415
89 HB2 ARG 12 2HB ARG 12 -2.098 9.196 5.237
90 HB3 ARG 12 1HB ARG 12 -1.697 9.130 6.943
91 HG2 ARG 12 2HG ARG 12 0.404 10.295 6.523
92 HG3 ARG 12 1HG ARG 12 0.090 10.269 4.790
93 HD2 ARG 12 2HD ARG 12 -2.002 11.566 5.298
94 HD3 ARG 12 1HD ARG 12 -1.346 11.767 6.930
95 HE ARG 12 HE ARG 12 0.692 12.623 5.583
96 HH11 ARG 12 1HH1 ARG 12 -2.710 13.412 5.131
97 HH12 ARG 12 2HH1 ARG 12 -2.472 14.801 4.208
98 HH21 ARG 12 1HH2 ARG 12 1.100 14.553 4.314
99 HH22 ARG 12 2HH2 ARG 12 -0.186 15.483 3.704
100 H ASN 13 H ASN 13 -1.960 6.558 4.116
101 HA ASN 13 HA ASN 13 -3.007 4.706 6.145
102 HB2 ASN 13 2HB ASN 13 -4.826 6.279 5.691
103 HB3 ASN 13 1HB ASN 13 -4.665 5.997 3.960
104 HD21 ASN 13 1HD2 ASN 13 -5.748 4.643 6.976
105 HD22 ASN 13 2HD2 ASN 13 -6.628 3.322 6.291
106 H ASP 14 H ASP 14 -2.343 2.809 5.692
107 HA ASP 14 HA ASP 14 -1.579 2.092 2.970
108 HB2 ASP 14 2HB ASP 14 -0.088 1.640 4.898
109 HB3 ASP 14 1HB ASP 14 -1.292 0.541 5.533
110 H LYS 15 H LYS 15 -2.948 1.056 1.725
111 HA LYS 15 HA LYS 15 -4.823 -0.820 2.949
112 HB2 LYS 15 2HB LYS 15 -5.275 1.091 0.676
113 HB3 LYS 15 1HB LYS 15 -6.227 -0.379 0.818
114 HG2 LYS 15 2HG LYS 15 -6.040 1.822 2.864
115 HG3 LYS 15 1HG LYS 15 -7.410 1.497 1.793
116 HD2 LYS 15 2HD LYS 15 -7.642 -0.747 2.830
117 HD3 LYS 15 1HD LYS 15 -6.322 -0.347 3.923
118 HE2 LYS 15 2HE LYS 15 -8.357 -0.038 5.059
119 HE3 LYS 15 1HE LYS 15 -7.595 1.525 4.760
120 HZ1 LYS 15 3HZ LYS 15 -9.137 1.893 2.921
121 HZ2 LYS 15 1HZ LYS 15 -9.956 1.607 4.358
122 HZ3 LYS 15 2HZ LYS 15 -9.880 0.398 3.203
123 H CYS 16 H CYS 16 -2.081 -1.167 1.903
124 HA CYS 16 HA CYS 16 -2.402 -2.520 -0.601
125 HB2 CYS 16 2HB CYS 16 -0.044 -2.611 1.301
126 HB3 CYS 16 1HB CYS 16 -0.032 -3.072 -0.385
127 H CYS 17 H CYS 17 -2.001 -4.788 -0.862
128 HA CYS 17 HA CYS 17 -3.595 -6.396 0.767
129 HB2 CYS 17 2HB CYS 17 -1.519 -7.217 -1.258
130 HB3 CYS 17 1HB CYS 17 -2.746 -8.286 -0.588
131 H SER 18 H SER 18 -2.923 -8.512 1.752
132 HA SER 18 HA SER 18 -1.229 -8.095 3.927
133 HB2 SER 18 2HB SER 18 -2.287 -10.672 2.776
134 HB3 SER 18 1HB SER 18 -1.743 -10.413 4.437
135 HG SER 18 HG SER 18 -4.078 -10.282 3.918
136 H GLY 19 H GLY 19 0.916 -8.183 4.006
137 HA2 GLY 19 2HA GLY 19 3.043 -9.166 3.679
138 HA3 GLY 19 1HA GLY 19 2.402 -10.045 2.292
139 H LEU 20 H LEU 20 1.334 -6.929 2.245
140 HA LEU 20 HA LEU 20 3.487 -5.998 0.484
141 HB2 LEU 20 2HB LEU 20 1.116 -6.862 -0.343
142 HB3 LEU 20 1HB LEU 20 0.618 -5.280 0.190
143 HG LEU 20 HG LEU 20 2.321 -4.326 -1.390
144 HD11 LEU 20 1HD1 LEU 20 2.356 -7.204 -2.264
145 HD12 LEU 20 2HD1 LEU 20 3.708 -6.297 -1.587
146 HD13 LEU 20 3HD1 LEU 20 3.050 -5.861 -3.173
147 HD21 LEU 20 3HD2 LEU 20 0.160 -6.079 -2.504
148 HD22 LEU 20 1HD2 LEU 20 0.918 -4.718 -3.319
149 HD23 LEU 20 2HD2 LEU 20 -0.064 -4.447 -1.878
150 H LYS 21 H LYS 21 3.836 -3.701 0.750
151 HA LYS 21 HA LYS 21 2.084 -2.253 2.512
152 HB2 LYS 21 2HB LYS 21 3.607 -3.296 4.080
153 HB3 LYS 21 1HB LYS 21 4.990 -2.647 3.209
154 HG2 LYS 21 2HG LYS 21 4.407 -0.392 3.803
155 HG3 LYS 21 1HG LYS 21 2.888 -0.928 4.509
156 HD2 LYS 21 2HD LYS 21 5.600 -1.745 5.538
157 HD3 LYS 21 1HD LYS 21 4.694 -0.365 6.155
158 HE2 LYS 21 2HE LYS 21 2.830 -1.901 6.725
159 HE3 LYS 21 1HE LYS 21 3.822 -3.257 6.194
160 HZ1 LYS 21 3HZ LYS 21 5.441 -2.675 7.912
161 HZ2 LYS 21 1HZ LYS 21 3.935 -2.990 8.593
162 HZ3 LYS 21 2HZ LYS 21 4.476 -1.404 8.414
163 H CYS 22 H CYS 22 2.107 -0.178 2.252
164 HA CYS 22 HA CYS 22 2.969 0.968 -0.167
165 HB2 CYS 22 2HB CYS 22 0.985 1.729 1.010
166 HB3 CYS 22 1HB CYS 22 1.949 2.184 2.403
167 H GLY 23 H GLY 23 4.713 2.134 -0.664
168 HA2 GLY 23 2HA GLY 23 7.037 2.035 0.938
169 HA3 GLY 23 1HA GLY 23 6.849 2.980 -0.527
170 H SER 24 H SER 24 8.185 3.695 1.922
171 HA SER 24 HA SER 24 6.543 5.725 3.121
172 HB2 SER 24 2HB SER 24 8.804 6.119 4.335
173 HB3 SER 24 1HB SER 24 7.923 4.621 4.659
174 HG SER 24 HG SER 24 9.807 3.828 4.184
175 H ASN 25 H ASN 25 9.531 5.545 1.241
176 HA ASN 25 HA ASN 25 9.520 8.403 0.742
177 HB2 ASN 25 2HB ASN 25 11.693 7.311 1.024
178 HB3 ASN 25 1HB ASN 25 11.340 6.208 -0.299
179 HD21 ASN 25 1HD2 ASN 25 12.314 9.441 0.554
180 HD22 ASN 25 2HD2 ASN 25 12.761 9.931 -1.028
181 H HIS 26 H HIS 26 8.774 5.444 -0.879
182 HA HIS 26 HA HIS 26 8.105 6.825 -3.347
183 HB2 HIS 26 2HB HIS 26 8.154 3.886 -2.618
184 HB3 HIS 26 1HB HIS 26 7.573 4.466 -4.162
185 HD1 HIS 26 1HD HIS 26 9.321 4.575 -5.985
186 HD2 HIS 26 2HD HIS 26 10.856 4.664 -2.161
187 HE1 HIS 26 1HE HIS 26 11.811 4.452 -6.269
188 H ASN 27 H ASN 27 5.948 5.745 -4.340
189 HA ASN 27 HA ASN 27 3.864 6.156 -2.313
190 HB2 ASN 27 2HB ASN 27 4.237 8.175 -3.749
191 HB3 ASN 27 1HB ASN 27 3.816 7.206 -5.151
192 HD21 ASN 27 1HD2 ASN 27 2.237 7.062 -1.979
193 HD22 ASN 27 2HD2 ASN 27 0.700 7.582 -2.550
194 H TRP 28 H TRP 28 4.946 3.694 -3.408
195 HA TRP 28 HA TRP 28 2.427 2.701 -4.466
196 HB2 TRP 28 2HB TRP 28 3.714 1.046 -5.884
197 HB3 TRP 28 1HB TRP 28 3.716 2.714 -6.432
198 HD1 TRP 28 HD TRP 28 6.118 1.660 -3.662
199 HE1 TRP 28 1HE TRP 28 8.512 1.693 -4.575
200 HE3 TRP 28 3HE TRP 28 5.102 2.435 -8.594
201 HZ2 TRP 28 2HZ TRP 28 9.784 1.959 -6.974
202 HZ3 TRP 28 3HZ TRP 28 6.995 2.559 -10.157
203 HH2 TRP 28 HH TRP 28 9.285 2.335 -9.381
204 H CYS 29 H CYS 29 2.020 0.523 -4.199
205 HA CYS 29 HA CYS 29 2.773 -0.549 -1.657
206 HB2 CYS 29 2HB CYS 29 1.109 -1.501 -3.945
207 HB3 CYS 29 1HB CYS 29 1.270 -2.489 -2.531
208 H LYS 30 H LYS 30 4.657 -1.553 -1.374
209 HA LYS 30 HA LYS 30 5.742 -3.255 -3.522
210 HB2 LYS 30 2HB LYS 30 7.184 -1.845 -1.254
211 HB3 LYS 30 1HB LYS 30 7.949 -2.942 -2.385
212 HG2 LYS 30 2HG LYS 30 6.611 -0.360 -3.185
213 HG3 LYS 30 1HG LYS 30 8.329 -0.508 -2.862
214 HD2 LYS 30 2HD LYS 30 6.855 -2.076 -4.980
215 HD3 LYS 30 1HD LYS 30 7.717 -0.568 -5.269
216 HE2 LYS 30 2HE LYS 30 9.775 -1.679 -4.358
217 HE3 LYS 30 1HE LYS 30 8.854 -3.180 -4.323
218 HZ1 LYS 30 3HZ LYS 30 9.545 -1.589 -6.733
219 HZ2 LYS 30 1HZ LYS 30 8.519 -2.929 -6.747
220 HZ3 LYS 30 2HZ LYS 30 10.124 -3.094 -6.302
221 H LEU 31 H LEU 31 7.259 -5.023 -2.309
222 HA LEU 31 HA LEU 31 5.445 -6.593 -0.766
223 HB2 LEU 31 2HB LEU 31 8.414 -6.938 -1.191
224 HB3 LEU 31 1HB LEU 31 7.352 -8.125 -0.474
225 HG LEU 31 HG LEU 31 7.273 -7.182 -3.343
226 HD11 LEU 31 1HD1 LEU 31 8.145 -9.783 -2.107
227 HD12 LEU 31 2HD1 LEU 31 9.188 -8.581 -2.868
228 HD13 LEU 31 3HD1 LEU 31 8.005 -9.465 -3.833
229 HD21 LEU 31 3HD2 LEU 31 5.632 -9.288 -1.929
230 HD22 LEU 31 1HD2 LEU 31 5.636 -8.984 -3.667
231 HD23 LEU 31 2HD2 LEU 31 5.036 -7.752 -2.564
232 H HIS 32 H HIS 32 5.504 -7.107 1.416
233 HA HIS 32 HA HIS 32 6.801 -5.086 3.006
234 HB2 HIS 32 2HB HIS 32 4.462 -5.791 3.537
235 HB3 HIS 32 1HB HIS 32 5.083 -7.392 3.947
236 HD1 HIS 32 1HD HIS 32 4.507 -7.325 6.486
237 HD2 HIS 32 2HD HIS 32 6.757 -4.073 5.194
238 HE1 HIS 32 1HE HIS 32 5.171 -6.079 8.545
239 H LEU 33 H LEU 33 8.815 -5.524 2.669
240 HA LEU 33 HA LEU 33 10.016 -7.588 4.278
241 HB2 LEU 33 2HB LEU 33 9.813 -8.588 2.014
242 HB3 LEU 33 1HB LEU 33 10.620 -7.196 1.332
243 HG LEU 33 HG LEU 33 12.687 -7.816 2.529
244 HD11 LEU 33 1HD1 LEU 33 11.720 -8.964 4.436
245 HD12 LEU 33 2HD1 LEU 33 12.858 -10.015 3.593
246 HD13 LEU 33 3HD1 LEU 33 11.123 -10.247 3.382
247 HD21 LEU 33 3HD2 LEU 33 13.222 -9.777 1.176
248 HD22 LEU 33 1HD2 LEU 33 12.313 -8.589 0.245
249 HD23 LEU 33 2HD2 LEU 33 11.507 -10.032 0.857
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 -11.221 -2.430 -0.409
2 H2 ASP 1 2HT ASP 1 -10.796 -3.508 0.811
3 H3 ASP 1 3HT ASP 1 -12.107 -3.866 -0.202
4 HA ASP 1 HA ASP 1 -10.188 -5.130 -0.801
5 HB2 ASP 1 2HB ASP 1 -10.004 -4.484 -3.167
6 HB3 ASP 1 1HB ASP 1 -11.678 -4.395 -2.629
7 H CYS 2 H CYS 2 -8.023 -5.247 -1.135
8 HA CYS 2 HA CYS 2 -6.555 -2.962 -0.154
9 HB2 CYS 2 2HB CYS 2 -4.678 -4.590 0.006
10 HB3 CYS 2 1HB CYS 2 -6.103 -5.016 0.947
11 H LEU 3 H LEU 3 -4.468 -2.454 -1.132
12 HA LEU 3 HA LEU 3 -4.684 -2.181 -4.005
13 HB2 LEU 3 2HB LEU 3 -2.529 -1.223 -2.122
14 HB3 LEU 3 1HB LEU 3 -2.758 -0.736 -3.785
15 HG LEU 3 HG LEU 3 -4.672 -0.170 -1.554
16 HD11 LEU 3 1HD1 LEU 3 -2.578 1.039 -1.256
17 HD12 LEU 3 2HD1 LEU 3 -3.851 2.153 -1.760
18 HD13 LEU 3 3HD1 LEU 3 -2.647 1.604 -2.924
19 HD21 LEU 3 3HD2 LEU 3 -5.664 -0.332 -3.805
20 HD22 LEU 3 1HD2 LEU 3 -4.556 0.920 -4.356
21 HD23 LEU 3 2HD2 LEU 3 -5.774 1.286 -3.121
22 H LYS 4 H LYS 4 -3.249 -3.053 -5.405
23 HA LYS 4 HA LYS 4 -1.943 -5.464 -4.465
24 HB2 LYS 4 2HB LYS 4 -2.692 -4.485 -7.205
25 HB3 LYS 4 1HB LYS 4 -1.878 -6.009 -6.896
26 HG2 LYS 4 2HG LYS 4 -3.760 -6.827 -5.646
27 HG3 LYS 4 1HG LYS 4 -4.558 -5.259 -5.761
28 HD2 LYS 4 2HD LYS 4 -4.743 -5.491 -8.154
29 HD3 LYS 4 1HD LYS 4 -3.840 -7.005 -8.103
30 HE2 LYS 4 2HE LYS 4 -5.594 -8.046 -6.809
31 HE3 LYS 4 1HE LYS 4 -6.469 -6.519 -6.723
32 HZ1 LYS 4 3HZ LYS 4 -6.862 -6.586 -9.034
33 HZ2 LYS 4 1HZ LYS 4 -7.332 -8.073 -8.425
34 HZ3 LYS 4 2HZ LYS 4 -5.873 -7.905 -9.282
35 H PHE 5 H PHE 5 0.040 -6.001 -6.031
36 HA PHE 5 HA PHE 5 2.078 -4.299 -5.091
37 HB2 PHE 5 2HB PHE 5 2.403 -6.705 -5.376
38 HB3 PHE 5 1HB PHE 5 2.184 -6.544 -7.111
39 HD1 PHE 5 2HD PHE 5 4.291 -5.009 -4.432
40 HD2 PHE 5 1HD PHE 5 4.092 -6.614 -8.360
41 HE1 PHE 5 2HE PHE 5 6.712 -4.673 -4.690
42 HE2 PHE 5 1HE PHE 5 6.507 -6.274 -8.616
43 HZ PHE 5 HZ PHE 5 7.816 -5.302 -6.776
44 H GLY 6 H GLY 6 2.852 -2.518 -5.904
45 HA2 GLY 6 2HA GLY 6 3.714 -1.170 -7.599
46 HA3 GLY 6 1HA GLY 6 2.798 -2.098 -8.781
47 H TRP 7 H TRP 7 0.646 -1.515 -6.352
48 HA TRP 7 HA TRP 7 -0.528 0.587 -7.923
49 HB2 TRP 7 2HB TRP 7 -1.517 -0.901 -5.491
50 HB3 TRP 7 1HB TRP 7 -2.375 0.469 -6.199
51 HD1 TRP 7 HD TRP 7 -0.748 -2.157 -8.449
52 HE1 TRP 7 1HE TRP 7 -2.591 -3.471 -9.678
53 HE3 TRP 7 3HE TRP 7 -4.810 -0.279 -6.013
54 HZ2 TRP 7 2HZ TRP 7 -5.418 -3.673 -9.609
55 HZ3 TRP 7 3HZ TRP 7 -7.044 -1.075 -6.640
56 HH2 TRP 7 HH TRP 7 -7.344 -2.734 -8.402
57 H LYS 8 H LYS 8 -0.796 2.674 -7.268
58 HA LYS 8 HA LYS 8 1.137 3.688 -5.445
59 HB2 LYS 8 2HB LYS 8 0.273 4.903 -7.490
60 HB3 LYS 8 1HB LYS 8 -1.228 5.179 -6.624
61 HG2 LYS 8 2HG LYS 8 1.433 6.164 -5.602
62 HG3 LYS 8 1HG LYS 8 0.484 7.109 -6.728
63 HD2 LYS 8 2HD LYS 8 -0.453 6.191 -4.000
64 HD3 LYS 8 1HD LYS 8 0.219 7.782 -4.345
65 HE2 LYS 8 2HE LYS 8 -1.622 8.239 -5.875
66 HE3 LYS 8 1HE LYS 8 -2.277 6.630 -5.596
67 HZ1 LYS 8 3HZ LYS 8 -1.956 8.695 -3.484
68 HZ2 LYS 8 1HZ LYS 8 -2.732 7.206 -3.318
69 HZ3 LYS 8 2HZ LYS 8 -3.376 8.387 -4.320
70 H CYS 9 H CYS 9 0.945 4.121 -3.390
71 HA CYS 9 HA CYS 9 -1.638 3.535 -2.124
72 HB2 CYS 9 2HB CYS 9 -0.298 2.927 -0.125
73 HB3 CYS 9 1HB CYS 9 0.020 1.892 -1.515
74 H ASN 10 H ASN 10 -2.198 4.763 -0.300
75 HA ASN 10 HA ASN 10 -1.273 7.498 -0.411
76 HB2 ASN 10 2HB ASN 10 -3.425 6.097 1.194
77 HB3 ASN 10 1HB ASN 10 -3.055 7.801 1.369
78 HD21 ASN 10 1HD2 ASN 10 -5.461 6.372 0.526
79 HD22 ASN 10 2HD2 ASN 10 -5.901 7.035 -1.009
80 HA PRO 11 HA PRO 11 1.721 6.457 2.761
81 HB2 PRO 11 2HB PRO 11 2.263 9.069 3.517
82 HB3 PRO 11 1HB PRO 11 3.043 8.231 2.175
83 HG2 PRO 11 2HG PRO 11 0.759 10.156 2.134
84 HG3 PRO 11 1HG PRO 11 2.120 10.011 1.010
85 HD2 PRO 11 2HD PRO 11 -0.309 9.082 0.391
86 HD3 PRO 11 1HD PRO 11 1.154 8.223 -0.122
87 H ARG 12 H ARG 12 -1.078 8.454 3.231
88 HA ARG 12 HA ARG 12 -0.918 8.456 6.099
89 HB2 ARG 12 2HB ARG 12 -3.103 9.262 4.219
90 HB3 ARG 12 1HB ARG 12 -3.227 9.369 5.966
91 HG2 ARG 12 2HG ARG 12 -1.311 10.868 6.011
92 HG3 ARG 12 1HG ARG 12 -1.195 10.767 4.254
93 HD2 ARG 12 2HD ARG 12 -3.445 11.691 4.067
94 HD3 ARG 12 1HD ARG 12 -3.531 11.796 5.827
95 HE ARG 12 HE ARG 12 -1.299 13.148 5.264
96 HH11 ARG 12 1HH1 ARG 12 -4.593 13.426 4.033
97 HH12 ARG 12 2HH1 ARG 12 -4.517 15.092 3.731
98 HH21 ARG 12 1HH2 ARG 12 -1.168 15.477 4.850
99 HH22 ARG 12 2HH2 ARG 12 -2.518 16.280 4.208
100 H ASN 13 H ASN 13 -2.468 6.521 3.662
101 HA ASN 13 HA ASN 13 -3.362 4.759 5.760
102 HB2 ASN 13 2HB ASN 13 -5.542 4.333 4.565
103 HB3 ASN 13 1HB ASN 13 -5.386 5.913 5.317
104 HD21 ASN 13 1HD2 ASN 13 -5.346 7.712 4.041
105 HD22 ASN 13 2HD2 ASN 13 -5.775 7.722 2.383
106 H ASP 14 H ASP 14 -2.016 3.189 5.462
107 HA ASP 14 HA ASP 14 -1.210 2.244 2.886
108 HB2 ASP 14 2HB ASP 14 0.131 1.910 5.002
109 HB3 ASP 14 1HB ASP 14 -1.083 0.748 5.516
110 H LYS 15 H LYS 15 -2.560 1.299 1.622
111 HA LYS 15 HA LYS 15 -4.690 -0.365 2.768
112 HB2 LYS 15 2HB LYS 15 -4.620 1.292 0.262
113 HB3 LYS 15 1HB LYS 15 -5.873 0.113 0.615
114 HG2 LYS 15 2HG LYS 15 -5.215 2.536 2.290
115 HG3 LYS 15 1HG LYS 15 -6.564 2.406 1.164
116 HD2 LYS 15 2HD LYS 15 -6.221 0.526 3.522
117 HD3 LYS 15 1HD LYS 15 -7.072 2.049 3.630
118 HE2 LYS 15 2HE LYS 15 -8.524 0.095 3.326
119 HE3 LYS 15 1HE LYS 15 -8.752 1.316 2.073
120 HZ1 LYS 15 3HZ LYS 15 -8.811 -0.953 1.241
121 HZ2 LYS 15 1HZ LYS 15 -7.258 -1.254 1.797
122 HZ3 LYS 15 2HZ LYS 15 -7.558 -0.131 0.542
123 H CYS 16 H CYS 16 -1.855 -1.054 1.918
124 HA CYS 16 HA CYS 16 -2.239 -2.507 -0.513
125 HB2 CYS 16 2HB CYS 16 0.062 -2.664 1.438
126 HB3 CYS 16 1HB CYS 16 0.062 -3.240 -0.217
127 H CYS 17 H CYS 17 -1.961 -4.813 -0.691
128 HA CYS 17 HA CYS 17 -3.621 -6.280 1.076
129 HB2 CYS 17 2HB CYS 17 -1.797 -7.246 -1.122
130 HB3 CYS 17 1HB CYS 17 -3.032 -8.212 -0.328
131 H SER 18 H SER 18 -2.846 -8.597 1.831
132 HA SER 18 HA SER 18 -1.011 -8.312 3.867
133 HB2 SER 18 2HB SER 18 -1.276 -10.830 3.947
134 HB3 SER 18 1HB SER 18 -2.768 -9.880 3.993
135 HG SER 18 HG SER 18 -2.610 -11.763 2.539
136 H GLY 19 H GLY 19 1.159 -8.591 3.994
137 HA2 GLY 19 2HA GLY 19 3.288 -9.244 3.421
138 HA3 GLY 19 1HA GLY 19 2.617 -10.175 2.084
139 H LEU 20 H LEU 20 1.584 -6.945 2.277
140 HA LEU 20 HA LEU 20 3.531 -6.038 0.316
141 HB2 LEU 20 2HB LEU 20 1.189 -6.967 -0.428
142 HB3 LEU 20 1HB LEU 20 0.607 -5.454 0.216
143 HG LEU 20 HG LEU 20 2.109 -4.278 -1.368
144 HD11 LEU 20 1HD1 LEU 20 2.907 -5.703 -3.264
145 HD12 LEU 20 2HD1 LEU 20 2.534 -7.112 -2.237
146 HD13 LEU 20 3HD1 LEU 20 3.733 -5.932 -1.723
147 HD21 LEU 20 3HD2 LEU 20 0.133 -6.218 -2.536
148 HD22 LEU 20 1HD2 LEU 20 0.740 -4.761 -3.316
149 HD23 LEU 20 2HD2 LEU 20 -0.247 -4.633 -1.857
150 H LYS 21 H LYS 21 3.902 -3.768 0.631
151 HA LYS 21 HA LYS 21 2.296 -2.427 2.640
152 HB2 LYS 21 2HB LYS 21 4.048 -3.513 3.949
153 HB3 LYS 21 1HB LYS 21 5.287 -2.768 2.945
154 HG2 LYS 21 2HG LYS 21 4.738 -0.594 3.764
155 HG3 LYS 21 1HG LYS 21 3.325 -1.197 4.611
156 HD2 LYS 21 2HD LYS 21 4.843 -2.552 6.048
157 HD3 LYS 21 1HD LYS 21 6.216 -1.809 5.221
158 HE2 LYS 21 2HE LYS 21 5.520 0.386 5.971
159 HE3 LYS 21 1HE LYS 21 4.083 -0.297 6.729
160 HZ1 LYS 21 3HZ LYS 21 5.789 0.132 8.352
161 HZ2 LYS 21 1HZ LYS 21 6.895 -0.830 7.499
162 HZ3 LYS 21 2HZ LYS 21 5.536 -1.535 8.220
163 H CYS 22 H CYS 22 2.393 -0.235 2.580
164 HA CYS 22 HA CYS 22 2.907 0.970 0.082
165 HB2 CYS 22 2HB CYS 22 1.203 1.728 1.755
166 HB3 CYS 22 1HB CYS 22 2.514 2.254 2.799
167 H GLY 23 H GLY 23 4.733 1.928 -0.647
168 HA2 GLY 23 2HA GLY 23 7.097 1.683 0.964
169 HA3 GLY 23 1HA GLY 23 7.040 2.196 -0.713
170 H SER 24 H SER 24 8.489 3.286 1.534
171 HA SER 24 HA SER 24 7.259 5.857 1.968
172 HB2 SER 24 2HB SER 24 9.525 6.156 3.247
173 HB3 SER 24 1HB SER 24 8.285 5.099 3.920
174 HG SER 24 HG SER 24 10.791 4.488 3.056
175 H ASN 25 H ASN 25 9.929 4.421 0.235
176 HA ASN 25 HA ASN 25 11.159 6.796 -0.745
177 HB2 ASN 25 2HB ASN 25 11.076 4.033 -1.996
178 HB3 ASN 25 1HB ASN 25 12.180 5.326 -2.444
179 HD21 ASN 25 1HD2 ASN 25 13.937 5.727 -1.167
180 HD22 ASN 25 2HD2 ASN 25 14.409 4.705 0.143
181 H HIS 26 H HIS 26 8.926 4.513 -2.177
182 HA HIS 26 HA HIS 26 7.862 6.601 -3.918
183 HB2 HIS 26 2HB HIS 26 8.458 3.703 -4.502
184 HB3 HIS 26 1HB HIS 26 7.345 4.603 -5.492
185 HD1 HIS 26 1HD HIS 26 8.387 5.965 -7.363
186 HD2 HIS 26 2HD HIS 26 11.065 4.577 -4.559
187 HE1 HIS 26 1HE HIS 26 10.673 6.499 -8.304
188 H ASN 27 H ASN 27 5.730 6.816 -3.583
189 HA ASN 27 HA ASN 27 4.593 5.110 -1.598
190 HB2 ASN 27 2HB ASN 27 3.433 7.542 -2.966
191 HB3 ASN 27 1HB ASN 27 2.538 6.572 -1.809
192 HD21 ASN 27 1HD2 ASN 27 4.984 6.140 -0.106
193 HD22 ASN 27 2HD2 ASN 27 5.219 7.649 0.674
194 H TRP 28 H TRP 28 4.862 3.316 -2.942
195 HA TRP 28 HA TRP 28 2.277 2.690 -3.987
196 HB2 TRP 28 2HB TRP 28 3.250 1.322 -5.852
197 HB3 TRP 28 1HB TRP 28 3.396 3.049 -6.079
198 HD1 TRP 28 HD TRP 28 5.946 1.165 -3.924
199 HE1 TRP 28 1HE TRP 28 8.212 1.120 -5.148
200 HE3 TRP 28 3HE TRP 28 4.513 3.161 -8.396
201 HZ2 TRP 28 2HZ TRP 28 9.215 1.768 -7.564
202 HZ3 TRP 28 3HZ TRP 28 6.222 3.421 -10.148
203 HH2 TRP 28 HH TRP 28 8.535 2.749 -9.755
204 H CYS 29 H CYS 29 1.936 0.457 -4.064
205 HA CYS 29 HA CYS 29 2.772 -0.767 -1.644
206 HB2 CYS 29 2HB CYS 29 1.130 -1.687 -3.961
207 HB3 CYS 29 1HB CYS 29 1.350 -2.693 -2.555
208 H LYS 30 H LYS 30 4.698 -1.616 -1.408
209 HA LYS 30 HA LYS 30 5.908 -3.135 -3.616
210 HB2 LYS 30 2HB LYS 30 7.247 -2.026 -1.128
211 HB3 LYS 30 1HB LYS 30 8.045 -2.870 -2.440
212 HG2 LYS 30 2HG LYS 30 7.446 -0.965 -3.959
213 HG3 LYS 30 1HG LYS 30 6.756 -0.147 -2.556
214 HD2 LYS 30 2HD LYS 30 8.957 0.707 -2.907
215 HD3 LYS 30 1HD LYS 30 9.000 -0.307 -1.465
216 HE2 LYS 30 2HE LYS 30 9.918 -2.163 -2.801
217 HE3 LYS 30 1HE LYS 30 9.857 -1.143 -4.236
218 HZ1 LYS 30 3HZ LYS 30 11.448 0.369 -3.098
219 HZ2 LYS 30 1HZ LYS 30 12.049 -1.183 -3.366
220 HZ3 LYS 30 2HZ LYS 30 11.548 -0.748 -1.831
221 H LEU 31 H LEU 31 7.240 -5.056 -2.721
222 HA LEU 31 HA LEU 31 5.476 -6.709 -1.196
223 HB2 LEU 31 2HB LEU 31 8.347 -7.159 -2.031
224 HB3 LEU 31 1HB LEU 31 7.297 -8.373 -1.340
225 HG LEU 31 HG LEU 31 6.881 -7.029 -4.016
226 HD11 LEU 31 1HD1 LEU 31 8.803 -8.513 -4.031
227 HD12 LEU 31 2HD1 LEU 31 7.469 -9.203 -4.956
228 HD13 LEU 31 3HD1 LEU 31 7.827 -9.807 -3.339
229 HD21 LEU 31 3HD2 LEU 31 4.765 -7.683 -3.000
230 HD22 LEU 31 1HD2 LEU 31 5.396 -9.301 -2.690
231 HD23 LEU 31 2HD2 LEU 31 5.159 -8.749 -4.346
232 H HIS 32 H HIS 32 5.694 -7.423 0.896
233 HA HIS 32 HA HIS 32 7.232 -5.681 2.618
234 HB2 HIS 32 2HB HIS 32 4.861 -6.494 3.090
235 HB3 HIS 32 1HB HIS 32 5.570 -8.072 3.402
236 HD1 HIS 32 1HD HIS 32 6.390 -8.471 5.798
237 HD2 HIS 32 2HD HIS 32 5.684 -4.467 4.948
238 HE1 HIS 32 1HE HIS 32 6.548 -7.253 7.990
239 H LEU 33 H LEU 33 9.064 -6.564 1.394
240 HA LEU 33 HA LEU 33 10.377 -8.710 2.886
241 HB2 LEU 33 2HB LEU 33 10.469 -8.306 -0.119
242 HB3 LEU 33 1HB LEU 33 11.475 -9.428 0.767
243 HG LEU 33 HG LEU 33 8.465 -9.615 0.536
244 HD11 LEU 33 1HD1 LEU 33 10.637 -11.182 -0.848
245 HD12 LEU 33 2HD1 LEU 33 9.558 -10.008 -1.603
246 HD13 LEU 33 3HD1 LEU 33 8.907 -11.509 -0.945
247 HD21 LEU 33 3HD2 LEU 33 8.779 -11.862 1.474
248 HD22 LEU 33 1HD2 LEU 33 9.317 -10.614 2.597
249 HD23 LEU 33 2HD2 LEU 33 10.501 -11.538 1.672
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 -11.525 -4.863 -1.286
2 H2 ASP 1 2HT ASP 1 -12.206 -5.999 -2.330
3 H3 ASP 1 3HT ASP 1 -11.476 -4.596 -2.940
4 HA ASP 1 HA ASP 1 -10.077 -6.704 -1.465
5 HB2 ASP 1 2HB ASP 1 -8.983 -7.237 -3.608
6 HB3 ASP 1 1HB ASP 1 -10.724 -7.404 -3.774
7 H CYS 2 H CYS 2 -7.774 -6.358 -1.449
8 HA CYS 2 HA CYS 2 -7.279 -3.604 -0.794
9 HB2 CYS 2 2HB CYS 2 -5.039 -4.674 -0.058
10 HB3 CYS 2 1HB CYS 2 -6.500 -5.070 0.840
11 H LEU 3 H LEU 3 -5.125 -2.630 -1.417
12 HA LEU 3 HA LEU 3 -4.984 -2.464 -4.266
13 HB2 LEU 3 2HB LEU 3 -3.046 -1.409 -2.201
14 HB3 LEU 3 1HB LEU 3 -3.134 -0.931 -3.878
15 HG LEU 3 HG LEU 3 -5.298 -0.433 -1.844
16 HD11 LEU 3 1HD1 LEU 3 -4.548 1.903 -1.946
17 HD12 LEU 3 2HD1 LEU 3 -3.216 1.425 -2.998
18 HD13 LEU 3 3HD1 LEU 3 -3.279 0.841 -1.335
19 HD21 LEU 3 3HD2 LEU 3 -6.073 -0.599 -4.177
20 HD22 LEU 3 1HD2 LEU 3 -4.921 0.661 -4.618
21 HD23 LEU 3 2HD2 LEU 3 -6.248 1.028 -3.515
22 H LYS 4 H LYS 4 -3.346 -3.169 -5.588
23 HA LYS 4 HA LYS 4 -2.193 -5.654 -4.619
24 HB2 LYS 4 2HB LYS 4 -2.571 -4.682 -7.447
25 HB3 LYS 4 1HB LYS 4 -2.166 -6.323 -6.959
26 HG2 LYS 4 2HG LYS 4 -4.322 -6.517 -5.805
27 HG3 LYS 4 1HG LYS 4 -4.727 -4.875 -6.290
28 HD2 LYS 4 2HD LYS 4 -4.496 -5.639 -8.670
29 HD3 LYS 4 1HD LYS 4 -4.371 -7.289 -8.063
30 HE2 LYS 4 2HE LYS 4 -6.693 -5.388 -7.684
31 HE3 LYS 4 1HE LYS 4 -6.651 -6.812 -8.715
32 HZ1 LYS 4 3HZ LYS 4 -7.798 -6.998 -6.498
33 HZ2 LYS 4 1HZ LYS 4 -6.308 -6.970 -5.768
34 HZ3 LYS 4 2HZ LYS 4 -6.699 -8.239 -6.810
35 H PHE 5 H PHE 5 -0.168 -6.219 -6.140
36 HA PHE 5 HA PHE 5 1.926 -4.727 -5.055
37 HB2 PHE 5 2HB PHE 5 2.143 -7.095 -5.548
38 HB3 PHE 5 1HB PHE 5 1.912 -6.788 -7.262
39 HD1 PHE 5 1HD PHE 5 4.122 -5.662 -4.487
40 HD2 PHE 5 2HD PHE 5 3.785 -6.783 -8.569
41 HE1 PHE 5 1HE PHE 5 6.558 -5.425 -4.749
42 HE2 PHE 5 2HE PHE 5 6.210 -6.551 -8.843
43 HZ PHE 5 HZ PHE 5 7.603 -5.876 -6.931
44 H GLY 6 H GLY 6 2.702 -2.839 -5.652
45 HA2 GLY 6 2HA GLY 6 3.733 -1.370 -7.108
46 HA3 GLY 6 1HA GLY 6 3.113 -2.303 -8.465
47 H TRP 7 H TRP 7 0.883 -1.469 -5.992
48 HA TRP 7 HA TRP 7 -0.337 0.375 -7.857
49 HB2 TRP 7 2HB TRP 7 -1.386 -1.135 -5.488
50 HB3 TRP 7 1HB TRP 7 -2.272 0.242 -6.137
51 HD1 TRP 7 HD TRP 7 -0.460 -2.346 -8.368
52 HE1 TRP 7 1HE TRP 7 -2.221 -3.516 -9.826
53 HE3 TRP 7 3HE TRP 7 -4.662 -0.383 -6.269
54 HZ2 TRP 7 2HZ TRP 7 -5.025 -3.593 -10.056
55 HZ3 TRP 7 3HZ TRP 7 -6.833 -1.039 -7.153
56 HH2 TRP 7 HH TRP 7 -7.027 -2.620 -9.009
57 H LYS 8 H LYS 8 -1.294 2.310 -7.105
58 HA LYS 8 HA LYS 8 0.583 3.968 -5.749
59 HB2 LYS 8 2HB LYS 8 -0.814 4.765 -7.622
60 HB3 LYS 8 1HB LYS 8 -2.251 4.484 -6.658
61 HG2 LYS 8 2HG LYS 8 -1.754 6.848 -6.729
62 HG3 LYS 8 1HG LYS 8 -1.536 6.236 -5.092
63 HD2 LYS 8 2HD LYS 8 0.260 7.759 -5.649
64 HD3 LYS 8 1HD LYS 8 0.900 6.127 -5.488
65 HE2 LYS 8 2HE LYS 8 0.907 5.892 -7.925
66 HE3 LYS 8 1HE LYS 8 0.237 7.512 -8.090
67 HZ1 LYS 8 3HZ LYS 8 2.581 7.535 -8.449
68 HZ2 LYS 8 1HZ LYS 8 2.894 6.800 -6.971
69 HZ3 LYS 8 2HZ LYS 8 2.268 8.367 -7.015
70 H CYS 9 H CYS 9 0.564 4.632 -3.681
71 HA CYS 9 HA CYS 9 -1.624 3.650 -1.981
72 HB2 CYS 9 2HB CYS 9 0.112 3.175 -0.292
73 HB3 CYS 9 1HB CYS 9 0.249 2.180 -1.742
74 H ASN 10 H ASN 10 -1.330 4.616 0.278
75 HA ASN 10 HA ASN 10 -0.453 7.403 0.229
76 HB2 ASN 10 2HB ASN 10 -3.033 6.315 1.416
77 HB3 ASN 10 1HB ASN 10 -2.381 7.898 1.800
78 HD21 ASN 10 1HD2 ASN 10 -4.929 7.202 0.607
79 HD22 ASN 10 2HD2 ASN 10 -4.981 7.976 -0.926
80 HA PRO 11 HA PRO 11 1.724 5.517 3.663
81 HB2 PRO 11 2HB PRO 11 2.935 7.826 4.561
82 HB3 PRO 11 1HB PRO 11 3.565 6.810 3.265
83 HG2 PRO 11 2HG PRO 11 2.050 9.365 3.102
84 HG3 PRO 11 1HG PRO 11 3.355 8.760 2.076
85 HD2 PRO 11 2HD PRO 11 0.736 8.726 1.349
86 HD3 PRO 11 1HD PRO 11 1.912 7.546 0.748
87 H ARG 12 H ARG 12 -0.508 8.140 3.826
88 HA ARG 12 HA ARG 12 -0.642 8.260 6.672
89 HB2 ARG 12 2HB ARG 12 -2.476 9.334 4.545
90 HB3 ARG 12 1HB ARG 12 -2.789 9.525 6.257
91 HG2 ARG 12 2HG ARG 12 -1.783 11.556 5.600
92 HG3 ARG 12 1HG ARG 12 -0.492 10.617 6.361
93 HD2 ARG 12 2HD ARG 12 0.244 9.898 4.119
94 HD3 ARG 12 1HD ARG 12 -0.959 10.976 3.415
95 HE ARG 12 HE ARG 12 0.622 12.412 5.208
96 HH11 ARG 12 1HH1 ARG 12 0.733 11.057 1.935
97 HH12 ARG 12 2HH1 ARG 12 2.108 11.926 1.482
98 HH21 ARG 12 1HH2 ARG 12 2.465 13.607 4.579
99 HH22 ARG 12 2HH2 ARG 12 3.136 13.412 3.014
100 H ASN 13 H ASN 13 -2.208 6.426 4.194
101 HA ASN 13 HA ASN 13 -3.370 4.726 6.190
102 HB2 ASN 13 2HB ASN 13 -5.117 6.495 5.872
103 HB3 ASN 13 1HB ASN 13 -5.205 6.044 4.172
104 HD21 ASN 13 1HD2 ASN 13 -6.264 4.152 3.609
105 HD22 ASN 13 2HD2 ASN 13 -7.190 3.244 4.745
106 H ASP 14 H ASP 14 -2.473 2.963 5.493
107 HA ASP 14 HA ASP 14 -1.908 2.454 2.715
108 HB2 ASP 14 2HB ASP 14 -0.407 1.866 4.644
109 HB3 ASP 14 1HB ASP 14 -1.579 0.643 5.105
110 H LYS 15 H LYS 15 -3.061 1.089 1.403
111 HA LYS 15 HA LYS 15 -5.256 -0.464 2.623
112 HB2 LYS 15 2HB LYS 15 -5.332 1.094 0.036
113 HB3 LYS 15 1HB LYS 15 -6.588 -0.017 0.548
114 HG2 LYS 15 2HG LYS 15 -5.760 2.497 1.993
115 HG3 LYS 15 1HG LYS 15 -7.175 2.322 0.959
116 HD2 LYS 15 2HD LYS 15 -6.688 0.719 3.476
117 HD3 LYS 15 1HD LYS 15 -7.662 2.176 3.388
118 HE2 LYS 15 2HE LYS 15 -9.199 1.102 1.854
119 HE3 LYS 15 1HE LYS 15 -8.201 -0.349 1.822
120 HZ1 LYS 15 3HZ LYS 15 -8.620 -0.669 4.146
121 HZ2 LYS 15 1HZ LYS 15 -10.083 -0.575 3.323
122 HZ3 LYS 15 2HZ LYS 15 -9.545 0.736 4.240
123 H CYS 16 H CYS 16 -2.459 -1.089 1.655
124 HA CYS 16 HA CYS 16 -3.061 -2.762 -0.601
125 HB2 CYS 16 2HB CYS 16 -0.474 -2.070 0.753
126 HB3 CYS 16 1HB CYS 16 -0.571 -3.243 -0.545
127 H CYS 17 H CYS 17 -2.304 -4.906 -0.690
128 HA CYS 17 HA CYS 17 -3.661 -6.479 1.205
129 HB2 CYS 17 2HB CYS 17 -1.792 -7.256 -1.001
130 HB3 CYS 17 1HB CYS 17 -2.828 -8.384 -0.119
131 H SER 18 H SER 18 -2.704 -8.549 2.175
132 HA SER 18 HA SER 18 -0.841 -7.830 4.138
133 HB2 SER 18 2HB SER 18 -1.839 -10.566 3.329
134 HB3 SER 18 1HB SER 18 -1.117 -10.132 4.883
135 HG SER 18 HG SER 18 -2.847 -8.902 5.366
136 H GLY 19 H GLY 19 1.300 -7.909 4.102
137 HA2 GLY 19 2HA GLY 19 3.420 -8.822 3.612
138 HA3 GLY 19 1HA GLY 19 2.712 -9.686 2.247
139 H LEU 20 H LEU 20 1.363 -6.772 2.049
140 HA LEU 20 HA LEU 20 3.441 -5.648 0.347
141 HB2 LEU 20 2HB LEU 20 1.392 -6.719 -0.705
142 HB3 LEU 20 1HB LEU 20 0.464 -5.474 0.106
143 HG LEU 20 HG LEU 20 1.702 -3.778 -1.102
144 HD11 LEU 20 1HD1 LEU 20 3.060 -4.492 -3.030
145 HD12 LEU 20 2HD1 LEU 20 2.862 -6.173 -2.472
146 HD13 LEU 20 3HD1 LEU 20 3.720 -5.010 -1.474
147 HD21 LEU 20 3HD2 LEU 20 0.621 -4.154 -3.221
148 HD22 LEU 20 1HD2 LEU 20 -0.450 -4.660 -1.919
149 HD23 LEU 20 2HD2 LEU 20 0.442 -5.862 -2.850
150 H LYS 21 H LYS 21 3.742 -3.430 0.647
151 HA LYS 21 HA LYS 21 1.863 -1.989 2.286
152 HB2 LYS 21 2HB LYS 21 3.418 -3.093 3.902
153 HB3 LYS 21 1HB LYS 21 4.759 -2.275 3.121
154 HG2 LYS 21 2HG LYS 21 3.880 -0.128 3.817
155 HG3 LYS 21 1HG LYS 21 2.481 -0.921 4.544
156 HD2 LYS 21 2HD LYS 21 3.955 -2.116 6.083
157 HD3 LYS 21 1HD LYS 21 5.357 -1.347 5.347
158 HE2 LYS 21 2HE LYS 21 4.741 -0.254 7.431
159 HE3 LYS 21 1HE LYS 21 4.549 0.841 6.064
160 HZ1 LYS 21 3HZ LYS 21 2.201 0.508 6.125
161 HZ2 LYS 21 1HZ LYS 21 2.716 0.947 7.653
162 HZ3 LYS 21 2HZ LYS 21 2.310 -0.658 7.354
163 H CYS 22 H CYS 22 2.138 0.238 2.084
164 HA CYS 22 HA CYS 22 3.139 1.232 -0.340
165 HB2 CYS 22 2HB CYS 22 1.396 2.315 1.120
166 HB3 CYS 22 1HB CYS 22 2.671 2.732 2.251
167 H GLY 23 H GLY 23 5.199 1.563 -0.937
168 HA2 GLY 23 2HA GLY 23 7.320 0.971 0.871
169 HA3 GLY 23 1HA GLY 23 7.511 1.467 -0.793
170 H SER 24 H SER 24 8.869 2.205 1.673
171 HA SER 24 HA SER 24 8.210 4.945 2.157
172 HB2 SER 24 2HB SER 24 10.397 4.757 3.513
173 HB3 SER 24 1HB SER 24 9.017 3.796 4.045
174 HG SER 24 HG SER 24 10.313 2.215 3.905
175 H ASN 25 H ASN 25 9.234 6.713 1.372
176 HA ASN 25 HA ASN 25 10.416 8.063 0.010
177 HB2 ASN 25 2HB ASN 25 12.352 5.734 -0.194
178 HB3 ASN 25 1HB ASN 25 12.636 7.305 -0.930
179 HD21 ASN 25 1HD2 ASN 25 13.142 9.030 0.378
180 HD22 ASN 25 2HD2 ASN 25 13.606 8.845 2.026
181 H HIS 26 H HIS 26 8.427 6.090 -0.815
182 HA HIS 26 HA HIS 26 8.642 6.429 -3.669
183 HB2 HIS 26 2HB HIS 26 8.187 3.722 -2.328
184 HB3 HIS 26 1HB HIS 26 7.887 4.053 -4.026
185 HD1 HIS 26 1HD HIS 26 10.685 3.455 -1.567
186 HD2 HIS 26 2HD HIS 26 10.085 4.230 -5.583
187 HE1 HIS 26 1HE HIS 26 12.887 2.990 -2.676
188 H ASN 27 H ASN 27 6.378 5.710 -4.538
189 HA ASN 27 HA ASN 27 4.377 6.367 -2.488
190 HB2 ASN 27 2HB ASN 27 5.021 8.336 -3.966
191 HB3 ASN 27 1HB ASN 27 4.324 7.452 -5.312
192 HD21 ASN 27 1HD2 ASN 27 3.022 7.523 -2.011
193 HD22 ASN 27 2HD2 ASN 27 1.587 8.358 -2.443
194 H TRP 28 H TRP 28 5.262 3.887 -3.646
195 HA TRP 28 HA TRP 28 2.690 2.959 -4.615
196 HB2 TRP 28 2HB TRP 28 3.884 1.358 -6.171
197 HB3 TRP 28 1HB TRP 28 3.910 3.039 -6.639
198 HD1 TRP 28 HD TRP 28 6.399 1.388 -4.157
199 HE1 TRP 28 1HE TRP 28 8.775 1.584 -5.153
200 HE3 TRP 28 3HE TRP 28 5.217 3.401 -8.669
201 HZ2 TRP 28 2HZ TRP 28 9.953 2.435 -7.478
202 HZ3 TRP 28 3HZ TRP 28 7.048 3.884 -10.261
203 HH2 TRP 28 HH TRP 28 9.371 3.413 -9.677
204 H CYS 29 H CYS 29 2.415 0.714 -4.318
205 HA CYS 29 HA CYS 29 3.574 -0.156 -1.820
206 HB2 CYS 29 2HB CYS 29 1.296 -1.118 -3.457
207 HB3 CYS 29 1HB CYS 29 1.943 -2.139 -2.200
208 H LYS 30 H LYS 30 5.230 -1.294 -1.622
209 HA LYS 30 HA LYS 30 5.832 -3.320 -3.655
210 HB2 LYS 30 2HB LYS 30 7.780 -1.716 -1.980
211 HB3 LYS 30 1HB LYS 30 8.241 -3.143 -2.894
212 HG2 LYS 30 2HG LYS 30 7.195 -0.544 -4.000
213 HG3 LYS 30 1HG LYS 30 8.843 -1.151 -4.136
214 HD2 LYS 30 2HD LYS 30 7.897 -3.131 -5.383
215 HD3 LYS 30 1HD LYS 30 6.346 -2.297 -5.388
216 HE2 LYS 30 2HE LYS 30 7.432 -1.881 -7.484
217 HE3 LYS 30 1HE LYS 30 7.427 -0.393 -6.545
218 HZ1 LYS 30 3HZ LYS 30 9.583 -0.768 -7.584
219 HZ2 LYS 30 1HZ LYS 30 9.734 -2.245 -6.799
220 HZ3 LYS 30 2HZ LYS 30 9.737 -0.846 -5.910
221 H LEU 31 H LEU 31 7.165 -5.156 -2.684
222 HA LEU 31 HA LEU 31 5.531 -6.364 -0.726
223 HB2 LEU 31 2HB LEU 31 8.281 -7.154 -1.681
224 HB3 LEU 31 1HB LEU 31 7.182 -8.179 -0.783
225 HG LEU 31 HG LEU 31 6.706 -7.126 -3.573
226 HD11 LEU 31 1HD1 LEU 31 7.438 -9.868 -2.603
227 HD12 LEU 31 2HD1 LEU 31 8.486 -8.766 -3.495
228 HD13 LEU 31 3HD1 LEU 31 7.043 -9.431 -4.264
229 HD21 LEU 31 3HD2 LEU 31 4.825 -8.691 -3.596
230 HD22 LEU 31 1HD2 LEU 31 4.624 -7.456 -2.354
231 HD23 LEU 31 2HD2 LEU 31 5.138 -9.083 -1.906
232 H HIS 32 H HIS 32 5.750 -6.529 1.438
233 HA HIS 32 HA HIS 32 7.950 -4.999 2.616
234 HB2 HIS 32 2HB HIS 32 5.522 -4.395 3.171
235 HB3 HIS 32 1HB HIS 32 5.413 -5.945 3.991
236 HD1 HIS 32 1HD HIS 32 6.409 -6.060 6.393
237 HD2 HIS 32 2HD HIS 32 7.227 -2.502 4.413
238 HE1 HIS 32 1HE HIS 32 7.392 -4.512 8.112
239 H LEU 33 H LEU 33 9.210 -5.989 4.201
240 HA LEU 33 HA LEU 33 8.979 -8.901 4.218
241 HB2 LEU 33 2HB LEU 33 10.997 -8.008 3.118
242 HB3 LEU 33 1HB LEU 33 11.431 -7.184 4.598
243 HG LEU 33 HG LEU 33 11.762 -9.346 5.717
244 HD11 LEU 33 1HD1 LEU 33 11.757 -11.405 4.390
245 HD12 LEU 33 2HD1 LEU 33 11.081 -10.515 3.025
246 HD13 LEU 33 3HD1 LEU 33 10.153 -10.690 4.514
247 HD21 LEU 33 3HD2 LEU 33 13.630 -8.267 4.581
248 HD22 LEU 33 1HD2 LEU 33 13.210 -9.103 3.089
249 HD23 LEU 33 2HD2 LEU 33 13.758 -10.026 4.488
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 -11.369 -2.885 -1.435
2 H2 ASP 1 2HT ASP 1 -10.993 -3.573 0.046
3 H3 ASP 1 3HT ASP 1 -12.208 -4.273 -0.908
4 HA ASP 1 HA ASP 1 -10.197 -5.531 -0.993
5 HB2 ASP 1 2HB ASP 1 -9.760 -5.475 -3.445
6 HB3 ASP 1 1HB ASP 1 -11.478 -5.478 -3.076
7 H CYS 2 H CYS 2 -8.039 -5.655 -1.124
8 HA CYS 2 HA CYS 2 -6.679 -3.329 -0.253
9 HB2 CYS 2 2HB CYS 2 -4.742 -4.878 -0.115
10 HB3 CYS 2 1HB CYS 2 -6.168 -5.427 0.757
11 H LEU 3 H LEU 3 -4.835 -2.413 -1.168
12 HA LEU 3 HA LEU 3 -4.923 -2.153 -4.015
13 HB2 LEU 3 2HB LEU 3 -2.874 -1.102 -2.070
14 HB3 LEU 3 1HB LEU 3 -3.103 -0.573 -3.720
15 HG LEU 3 HG LEU 3 -5.085 -0.216 -1.496
16 HD11 LEU 3 1HD1 LEU 3 -4.431 2.162 -1.605
17 HD12 LEU 3 2HD1 LEU 3 -3.191 1.754 -2.792
18 HD13 LEU 3 3HD1 LEU 3 -3.079 1.127 -1.146
19 HD21 LEU 3 3HD2 LEU 3 -5.028 0.933 -4.275
20 HD22 LEU 3 1HD2 LEU 3 -6.247 1.256 -3.048
21 HD23 LEU 3 2HD2 LEU 3 -6.091 -0.366 -3.738
22 H LYS 4 H LYS 4 -3.212 -2.705 -5.400
23 HA LYS 4 HA LYS 4 -2.004 -5.235 -4.585
24 HB2 LYS 4 2HB LYS 4 -2.582 -4.106 -7.308
25 HB3 LYS 4 1HB LYS 4 -1.936 -5.707 -7.007
26 HG2 LYS 4 2HG LYS 4 -3.983 -6.279 -5.771
27 HG3 LYS 4 1HG LYS 4 -4.622 -4.675 -6.131
28 HD2 LYS 4 2HD LYS 4 -4.439 -5.175 -8.534
29 HD3 LYS 4 1HD LYS 4 -3.868 -6.796 -8.120
30 HE2 LYS 4 2HE LYS 4 -5.985 -7.188 -6.909
31 HE3 LYS 4 1HE LYS 4 -6.527 -5.598 -7.429
32 HZ1 LYS 4 3HZ LYS 4 -5.784 -7.757 -9.318
33 HZ2 LYS 4 1HZ LYS 4 -6.497 -6.287 -9.694
34 HZ3 LYS 4 2HZ LYS 4 -7.352 -7.452 -8.825
35 H PHE 5 H PHE 5 -0.051 -5.665 -6.323
36 HA PHE 5 HA PHE 5 2.104 -4.175 -5.292
37 HB2 PHE 5 2HB PHE 5 2.295 -6.534 -6.034
38 HB3 PHE 5 1HB PHE 5 2.057 -6.012 -7.696
39 HD1 PHE 5 1HD PHE 5 4.346 -5.986 -4.847
40 HD2 PHE 5 2HD PHE 5 3.848 -4.986 -8.944
41 HE1 PHE 5 1HE PHE 5 6.758 -5.640 -5.047
42 HE2 PHE 5 2HE PHE 5 6.275 -4.636 -9.161
43 HZ PHE 5 HZ PHE 5 7.738 -4.961 -7.207
44 H GLY 6 H GLY 6 3.021 -2.413 -5.954
45 HA2 GLY 6 2HA GLY 6 3.786 -0.796 -7.421
46 HA3 GLY 6 1HA GLY 6 2.883 -1.575 -8.714
47 H TRP 7 H TRP 7 0.723 -1.322 -6.256
48 HA TRP 7 HA TRP 7 -0.512 0.819 -7.668
49 HB2 TRP 7 2HB TRP 7 -1.459 -0.920 -5.402
50 HB3 TRP 7 1HB TRP 7 -2.374 0.499 -5.900
51 HD1 TRP 7 HD TRP 7 -0.665 -1.840 -8.447
52 HE1 TRP 7 1HE TRP 7 -2.477 -2.968 -9.878
53 HE3 TRP 7 3HE TRP 7 -4.809 -0.197 -5.948
54 HZ2 TRP 7 2HZ TRP 7 -5.295 -3.141 -9.939
55 HZ3 TRP 7 3HZ TRP 7 -7.026 -0.892 -6.755
56 HH2 TRP 7 HH TRP 7 -7.263 -2.333 -8.709
57 H LYS 8 H LYS 8 -1.101 2.759 -6.897
58 HA LYS 8 HA LYS 8 0.918 3.841 -5.175
59 HB2 LYS 8 2HB LYS 8 -1.388 5.278 -6.495
60 HB3 LYS 8 1HB LYS 8 0.070 6.006 -5.827
61 HG2 LYS 8 2HG LYS 8 -0.092 4.194 -8.231
62 HG3 LYS 8 1HG LYS 8 0.234 5.927 -8.247
63 HD2 LYS 8 2HD LYS 8 2.346 5.559 -7.093
64 HD3 LYS 8 1HD LYS 8 1.987 3.844 -6.927
65 HE2 LYS 8 2HE LYS 8 2.388 5.307 -9.543
66 HE3 LYS 8 1HE LYS 8 3.570 4.273 -8.746
67 HZ1 LYS 8 3HZ LYS 8 2.431 3.099 -10.509
68 HZ2 LYS 8 1HZ LYS 8 0.932 3.384 -9.815
69 HZ3 LYS 8 2HZ LYS 8 2.042 2.379 -9.045
70 H CYS 9 H CYS 9 0.764 4.026 -3.171
71 HA CYS 9 HA CYS 9 -1.633 3.175 -1.819
72 HB2 CYS 9 2HB CYS 9 -0.271 3.104 0.127
73 HB3 CYS 9 1HB CYS 9 0.702 2.493 -1.213
74 H ASN 10 H ASN 10 -2.306 4.386 0.153
75 HA ASN 10 HA ASN 10 -2.428 7.245 -0.320
76 HB2 ASN 10 2HB ASN 10 -3.752 5.523 1.818
77 HB3 ASN 10 1HB ASN 10 -4.112 7.212 1.498
78 HD21 ASN 10 1HD2 ASN 10 -5.817 4.846 1.478
79 HD22 ASN 10 2HD2 ASN 10 -6.530 4.776 -0.086
80 HA PRO 11 HA PRO 11 1.303 7.283 2.158
81 HB2 PRO 11 2HB PRO 11 1.179 10.006 2.767
82 HB3 PRO 11 1HB PRO 11 1.990 9.292 1.372
83 HG2 PRO 11 2HG PRO 11 -0.690 10.563 1.563
84 HG3 PRO 11 1HG PRO 11 0.468 10.584 0.224
85 HD2 PRO 11 2HD PRO 11 -1.739 9.066 0.175
86 HD3 PRO 11 1HD PRO 11 -0.227 8.509 -0.563
87 H ARG 12 H ARG 12 -1.691 8.673 3.308
88 HA ARG 12 HA ARG 12 -0.752 8.697 6.049
89 HB2 ARG 12 2HB ARG 12 -3.460 9.264 4.883
90 HB3 ARG 12 1HB ARG 12 -3.048 9.422 6.576
91 HG2 ARG 12 2HG ARG 12 -1.815 10.982 4.297
92 HG3 ARG 12 1HG ARG 12 -3.029 11.594 5.418
93 HD2 ARG 12 2HD ARG 12 -1.473 11.355 7.270
94 HD3 ARG 12 1HD ARG 12 -0.267 10.644 6.195
95 HE ARG 12 HE ARG 12 -1.072 13.152 5.237
96 HH11 ARG 12 1HH1 ARG 12 0.794 11.787 7.902
97 HH12 ARG 12 2HH1 ARG 12 1.895 13.077 8.003
98 HH21 ARG 12 1HH2 ARG 12 0.400 14.910 5.324
99 HH22 ARG 12 2HH2 ARG 12 1.665 14.942 6.472
100 H ASN 13 H ASN 13 -2.691 6.645 4.028
101 HA ASN 13 HA ASN 13 -2.960 4.752 6.265
102 HB2 ASN 13 2HB ASN 13 -5.065 6.025 6.135
103 HB3 ASN 13 1HB ASN 13 -5.223 5.591 4.441
104 HD21 ASN 13 1HD2 ASN 13 -7.171 4.612 4.764
105 HD22 ASN 13 2HD2 ASN 13 -7.378 3.109 5.583
106 H ASP 14 H ASP 14 -1.796 3.076 5.535
107 HA ASP 14 HA ASP 14 -1.481 2.462 2.747
108 HB2 ASP 14 2HB ASP 14 0.217 1.989 4.596
109 HB3 ASP 14 1HB ASP 14 -0.838 0.680 5.106
110 H LYS 15 H LYS 15 -2.654 1.029 1.564
111 HA LYS 15 HA LYS 15 -4.732 -0.489 2.977
112 HB2 LYS 15 2HB LYS 15 -5.036 1.095 0.428
113 HB3 LYS 15 1HB LYS 15 -6.238 -0.038 1.013
114 HG2 LYS 15 2HG LYS 15 -5.328 2.485 2.402
115 HG3 LYS 15 1HG LYS 15 -6.850 2.260 1.542
116 HD2 LYS 15 2HD LYS 15 -5.985 0.767 4.031
117 HD3 LYS 15 1HD LYS 15 -7.139 2.089 3.969
118 HE2 LYS 15 2HE LYS 15 -8.636 0.770 2.601
119 HE3 LYS 15 1HE LYS 15 -7.476 -0.561 2.560
120 HZ1 LYS 15 3HZ LYS 15 -7.699 -0.709 4.970
121 HZ2 LYS 15 1HZ LYS 15 -9.160 -0.984 4.184
122 HZ3 LYS 15 2HZ LYS 15 -8.894 0.489 4.937
123 H CYS 16 H CYS 16 -2.042 -1.188 1.777
124 HA CYS 16 HA CYS 16 -2.911 -2.762 -0.436
125 HB2 CYS 16 2HB CYS 16 -0.178 -2.310 0.702
126 HB3 CYS 16 1HB CYS 16 -0.475 -3.439 -0.615
127 H CYS 17 H CYS 17 -2.251 -4.958 -0.728
128 HA CYS 17 HA CYS 17 -3.691 -6.601 1.000
129 HB2 CYS 17 2HB CYS 17 -1.678 -7.385 -1.107
130 HB3 CYS 17 1HB CYS 17 -2.922 -8.427 -0.431
131 H SER 18 H SER 18 -2.938 -8.588 2.092
132 HA SER 18 HA SER 18 -1.133 -8.074 4.114
133 HB2 SER 18 2HB SER 18 -2.107 -10.720 3.063
134 HB3 SER 18 1HB SER 18 -1.475 -10.412 4.690
135 HG SER 18 HG SER 18 -3.195 -8.886 4.918
136 H GLY 19 H GLY 19 0.992 -8.085 4.193
137 HA2 GLY 19 2HA GLY 19 3.141 -9.001 3.903
138 HA3 GLY 19 1HA GLY 19 2.542 -9.905 2.514
139 H LEU 20 H LEU 20 1.228 -7.099 1.921
140 HA LEU 20 HA LEU 20 3.487 -6.095 0.373
141 HB2 LEU 20 2HB LEU 20 1.392 -7.123 -0.705
142 HB3 LEU 20 1HB LEU 20 0.550 -5.716 -0.090
143 HG LEU 20 HG LEU 20 2.104 -4.296 -1.401
144 HD11 LEU 20 1HD1 LEU 20 3.351 -5.387 -3.190
145 HD12 LEU 20 2HD1 LEU 20 2.853 -6.965 -2.542
146 HD13 LEU 20 3HD1 LEU 20 3.892 -5.913 -1.590
147 HD21 LEU 20 3HD2 LEU 20 -0.148 -4.845 -2.171
148 HD22 LEU 20 1HD2 LEU 20 0.470 -6.326 -2.902
149 HD23 LEU 20 2HD2 LEU 20 0.990 -4.761 -3.517
150 H LYS 21 H LYS 21 3.894 -3.870 0.626
151 HA LYS 21 HA LYS 21 1.929 -2.254 1.995
152 HB2 LYS 21 2HB LYS 21 4.024 -3.396 3.444
153 HB3 LYS 21 1HB LYS 21 4.513 -1.732 3.142
154 HG2 LYS 21 2HG LYS 21 2.137 -1.157 4.010
155 HG3 LYS 21 1HG LYS 21 2.154 -2.800 4.650
156 HD2 LYS 21 2HD LYS 21 2.893 -1.386 6.400
157 HD3 LYS 21 1HD LYS 21 4.325 -2.208 5.783
158 HE2 LYS 21 2HE LYS 21 4.790 0.161 6.154
159 HE3 LYS 21 1HE LYS 21 4.895 -0.219 4.440
160 HZ1 LYS 21 3HZ LYS 21 3.698 1.857 4.815
161 HZ2 LYS 21 1HZ LYS 21 2.603 1.074 5.814
162 HZ3 LYS 21 2HZ LYS 21 2.624 0.731 4.166
163 H CYS 22 H CYS 22 2.447 -0.022 1.841
164 HA CYS 22 HA CYS 22 3.726 0.679 -0.585
165 HB2 CYS 22 2HB CYS 22 1.793 1.864 0.490
166 HB3 CYS 22 1HB CYS 22 2.911 2.438 1.716
167 H GLY 23 H GLY 23 5.750 1.247 -0.897
168 HA2 GLY 23 2HA GLY 23 7.656 0.732 1.147
169 HA3 GLY 23 1HA GLY 23 8.041 1.339 -0.453
170 H SER 24 H SER 24 9.025 2.084 2.175
171 HA SER 24 HA SER 24 7.984 4.658 2.772
172 HB2 SER 24 2HB SER 24 10.063 4.799 4.201
173 HB3 SER 24 1HB SER 24 9.010 3.428 4.560
174 HG SER 24 HG SER 24 10.707 2.291 4.268
175 H ASN 25 H ASN 25 8.764 6.625 2.207
176 HA ASN 25 HA ASN 25 9.704 8.263 1.013
177 HB2 ASN 25 2HB ASN 25 11.895 7.277 1.872
178 HB3 ASN 25 1HB ASN 25 11.994 6.362 0.374
179 HD21 ASN 25 1HD2 ASN 25 13.937 7.382 -0.192
180 HD22 ASN 25 2HD2 ASN 25 13.950 9.025 -0.748
181 H HIS 26 H HIS 26 8.156 5.940 -0.094
182 HA HIS 26 HA HIS 26 8.350 6.664 -2.923
183 HB2 HIS 26 2HB HIS 26 8.023 3.864 -1.775
184 HB3 HIS 26 1HB HIS 26 7.688 4.276 -3.446
185 HD1 HIS 26 1HD HIS 26 10.602 4.079 -1.009
186 HD2 HIS 26 2HD HIS 26 9.802 4.291 -5.065
187 HE1 HIS 26 1HE HIS 26 12.792 3.674 -2.160
188 H ASN 27 H ASN 27 6.150 5.448 -3.870
189 HA ASN 27 HA ASN 27 4.015 5.883 -1.955
190 HB2 ASN 27 2HB ASN 27 4.379 8.002 -3.262
191 HB3 ASN 27 1HB ASN 27 4.046 7.106 -4.732
192 HD21 ASN 27 1HD2 ASN 27 2.318 6.737 -1.670
193 HD22 ASN 27 2HD2 ASN 27 0.808 7.309 -2.268
194 H TRP 28 H TRP 28 5.378 3.703 -3.475
195 HA TRP 28 HA TRP 28 2.913 2.552 -4.548
196 HB2 TRP 28 2HB TRP 28 4.198 1.104 -6.082
197 HB3 TRP 28 1HB TRP 28 4.345 2.806 -6.455
198 HD1 TRP 28 HD TRP 28 6.598 1.251 -3.741
199 HE1 TRP 28 1HE TRP 28 9.016 1.150 -4.631
200 HE3 TRP 28 3HE TRP 28 5.777 2.660 -8.590
201 HZ2 TRP 28 2HZ TRP 28 10.348 1.534 -6.967
202 HZ3 TRP 28 3HZ TRP 28 7.712 2.759 -10.111
203 HH2 TRP 28 HH TRP 28 9.961 2.216 -9.325
204 H CYS 29 H CYS 29 2.728 0.293 -4.477
205 HA CYS 29 HA CYS 29 3.697 -0.691 -1.937
206 HB2 CYS 29 2HB CYS 29 1.370 -1.213 -3.625
207 HB3 CYS 29 1HB CYS 29 1.798 -2.479 -2.510
208 H LYS 30 H LYS 30 5.262 -1.924 -1.739
209 HA LYS 30 HA LYS 30 5.837 -3.981 -3.754
210 HB2 LYS 30 2HB LYS 30 7.779 -2.279 -2.183
211 HB3 LYS 30 1HB LYS 30 8.259 -3.738 -3.023
212 HG2 LYS 30 2HG LYS 30 7.565 -2.703 -5.163
213 HG3 LYS 30 1HG LYS 30 7.110 -1.248 -4.280
214 HD2 LYS 30 2HD LYS 30 9.283 -0.955 -5.282
215 HD3 LYS 30 1HD LYS 30 9.419 -0.990 -3.530
216 HE2 LYS 30 2HE LYS 30 11.218 -2.226 -4.616
217 HE3 LYS 30 1HE LYS 30 10.233 -3.298 -3.625
218 HZ1 LYS 30 3HZ LYS 30 9.162 -4.088 -5.639
219 HZ2 LYS 30 1HZ LYS 30 10.829 -4.246 -5.766
220 HZ3 LYS 30 2HZ LYS 30 10.057 -3.006 -6.586
221 H LEU 31 H LEU 31 7.353 -5.705 -2.616
222 HA LEU 31 HA LEU 31 5.795 -6.833 -0.570
223 HB2 LEU 31 2HB LEU 31 8.507 -7.560 -1.631
224 HB3 LEU 31 1HB LEU 31 7.818 -8.419 -0.272
225 HG LEU 31 HG LEU 31 7.455 -9.735 -2.203
226 HD11 LEU 31 1HD1 LEU 31 5.606 -9.715 -0.677
227 HD12 LEU 31 2HD1 LEU 31 5.048 -9.922 -2.335
228 HD13 LEU 31 3HD1 LEU 31 4.870 -8.364 -1.541
229 HD21 LEU 31 3HD2 LEU 31 6.248 -8.951 -4.194
230 HD22 LEU 31 1HD2 LEU 31 7.757 -8.073 -3.949
231 HD23 LEU 31 2HD2 LEU 31 6.219 -7.320 -3.523
232 H HIS 32 H HIS 32 5.998 -7.064 1.562
233 HA HIS 32 HA HIS 32 7.873 -5.211 2.836
234 HB2 HIS 32 2HB HIS 32 5.470 -4.607 2.944
235 HB3 HIS 32 1HB HIS 32 5.145 -6.112 3.787
236 HD1 HIS 32 1HD HIS 32 4.965 -5.771 6.272
237 HD2 HIS 32 2HD HIS 32 7.547 -3.052 4.490
238 HE1 HIS 32 1HE HIS 32 5.723 -4.218 8.106
239 H LEU 33 H LEU 33 8.978 -5.938 4.593
240 HA LEU 33 HA LEU 33 8.662 -8.741 5.360
241 HB2 LEU 33 2HB LEU 33 11.253 -7.205 5.022
242 HB3 LEU 33 1HB LEU 33 11.119 -8.832 5.648
243 HG LEU 33 HG LEU 33 10.440 -7.996 2.823
244 HD11 LEU 33 1HD1 LEU 33 12.469 -9.212 2.206
245 HD12 LEU 33 2HD1 LEU 33 12.824 -9.484 3.912
246 HD13 LEU 33 3HD1 LEU 33 12.825 -7.845 3.260
247 HD21 LEU 33 3HD2 LEU 33 9.127 -9.921 3.561
248 HD22 LEU 33 1HD2 LEU 33 10.599 -10.733 4.097
249 HD23 LEU 33 2HD2 LEU 33 10.343 -10.410 2.383