Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
607678 | 2n71 RC | 25789 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1H ALA 1 -10.756 -9.594 -0.125
2 H2 ALA 1 2H ALA 1 -12.080 -10.537 -0.598
3 H3 ALA 1 3H ALA 1 -12.046 -8.886 -0.961
4 HA ALA 1 HA ALA 1 -11.567 -10.238 -2.901
5 HB1 ALA 1 2HB ALA 1 -9.533 -9.085 -3.600
6 HB2 ALA 1 3HB ALA 1 -10.630 -7.994 -2.753
7 HB3 ALA 1 1HB ALA 1 -9.208 -8.631 -1.926
8 H GLU 2 H GLU 2 -9.339 -10.723 -0.216
9 HA GLU 2 HA GLU 2 -8.053 -12.455 0.417
10 HB2 GLU 2 2HB GLU 2 -9.574 -13.873 -1.756
11 HB3 GLU 2 3HB GLU 2 -8.256 -14.665 -0.881
12 HG2 GLU 2 2HG GLU 2 -10.332 -15.310 0.117
13 HG3 GLU 2 3HG GLU 2 -9.461 -14.255 1.239
14 HE2 GLU 2 HE GLU 2 -12.826 -12.892 -0.360
15 H ASP 3 H ASP 3 -8.091 -12.719 -3.151
16 HA ASP 3 HA ASP 3 -5.156 -12.467 -3.016
17 HB2 ASP 3 2HB ASP 3 -5.797 -14.765 -3.603
18 HB3 ASP 3 3HB ASP 3 -6.761 -14.150 -4.951
19 HD2 ASP 3 HD ASP 3 -3.989 -13.821 -6.985
20 H CYS 4 H CYS 4 -4.638 -10.592 -3.718
21 HA CYS 4 HA CYS 4 -5.285 -9.831 -6.411
22 HB2 CYS 4 2HB CYS 4 -5.664 -7.405 -5.393
23 HB3 CYS 4 3HB CYS 4 -7.004 -8.542 -5.630
24 H VAL 5 H VAL 5 -3.685 -8.449 -7.285
25 HA VAL 5 HA VAL 5 -1.319 -8.162 -5.569
26 HB VAL 5 HB VAL 5 -1.374 -9.124 -8.418
27 HG11 VAL 5 1HG1 VAL 5 0.572 -7.776 -7.951
28 HG12 VAL 5 2HG1 VAL 5 0.932 -8.760 -6.534
29 HG13 VAL 5 3HG1 VAL 5 1.023 -9.469 -8.146
30 HG21 VAL 5 3HG2 VAL 5 -2.141 -10.856 -6.901
31 HG22 VAL 5 1HG2 VAL 5 -0.534 -11.251 -7.509
32 HG23 VAL 5 2HG2 VAL 5 -0.727 -10.613 -5.880
33 H GLY 6 H GLY 6 -0.417 -6.203 -5.622
34 HA2 GLY 6 2HA GLY 6 0.661 -4.641 -7.282
35 HA3 GLY 6 3HA GLY 6 -0.973 -4.473 -7.938
36 H ARG 7 H ARG 7 -1.439 -2.402 -7.454
37 HA ARG 7 HA ARG 7 -1.628 -1.871 -4.578
38 HB2 ARG 7 2HB ARG 7 -1.142 0.447 -4.873
39 HB3 ARG 7 3HB ARG 7 0.153 -0.476 -5.650
40 HG2 ARG 7 2HG ARG 7 -0.754 -0.033 -7.835
41 HG3 ARG 7 3HG ARG 7 -2.166 0.758 -7.118
42 HD2 ARG 7 2HD ARG 7 -0.646 2.432 -6.075
43 HD3 ARG 7 3HD ARG 7 0.694 1.678 -6.947
44 HE ARG 7 HE ARG 7 -1.612 2.880 -8.341
45 HH11 ARG 7 2HH1 ARG 7 1.829 2.328 -8.002
46 HH12 ARG 7 1HH1 ARG 7 2.255 3.377 -9.330
47 HH21 ARG 7 2HH2 ARG 7 -1.057 4.277 -10.056
48 HH22 ARG 7 1HH2 ARG 7 0.613 4.485 -10.493
49 H LYS 8 H LYS 8 -3.540 -1.142 -3.889
50 HA LYS 8 HA LYS 8 -5.673 -0.856 -5.864
51 HB2 LYS 8 2HB LYS 8 -5.857 -2.328 -3.800
52 HB3 LYS 8 3HB LYS 8 -5.898 -0.831 -2.855
53 HG2 LYS 8 2HG LYS 8 -8.130 -1.793 -3.268
54 HG3 LYS 8 3HG LYS 8 -7.943 -0.152 -3.902
55 HD2 LYS 8 2HD LYS 8 -7.535 -1.071 -6.155
56 HD3 LYS 8 3HD LYS 8 -7.747 -2.706 -5.506
57 HE2 LYS 8 2HE LYS 8 -9.846 -0.523 -5.478
58 HE3 LYS 8 3HE LYS 8 -9.775 -1.871 -6.622
59 HZ1 LYS 8 3HZ LYS 8 -10.156 -2.094 -3.682
60 HZ2 LYS 8 1HZ LYS 8 -10.001 -3.410 -4.742
61 HZ3 LYS 8 2HZ LYS 8 -11.331 -2.365 -4.870
62 H ALA 9 H ALA 9 -6.465 1.089 -6.391
63 HA ALA 9 HA ALA 9 -4.788 3.266 -5.641
64 HB1 ALA 9 1HB ALA 9 -7.212 3.249 -7.429
65 HB2 ALA 9 2HB ALA 9 -6.011 4.537 -7.313
66 HB3 ALA 9 3HB ALA 9 -5.547 2.952 -7.936
67 H CYS 10 H CYS 10 -5.024 4.477 -3.980
68 HA CYS 10 HA CYS 10 -7.648 5.647 -3.417
69 HB2 CYS 10 2HB CYS 10 -7.157 3.942 -1.683
70 HB3 CYS 10 3HB CYS 10 -5.621 4.753 -1.336
71 H THR 11 H THR 11 -7.434 7.906 -2.806
72 HA THR 11 HA THR 11 -4.753 9.021 -3.030
73 HB THR 11 HB THR 11 -6.841 10.073 -4.915
74 HG1 THR 11 1HG THR 11 -5.425 8.672 -6.458
75 HG21 THR 11 3HG2 THR 11 -3.821 10.058 -4.944
76 HG22 THR 11 1HG2 THR 11 -4.844 11.416 -4.481
77 HG23 THR 11 2HG2 THR 11 -4.858 10.831 -6.143
78 H ARG 12 H ARG 12 -5.829 9.235 -0.774
79 HA ARG 12 HA ARG 12 -7.528 11.576 -0.513
80 HB2 ARG 12 2HB ARG 12 -7.414 11.119 1.890
81 HB3 ARG 12 3HB ARG 12 -7.795 9.631 1.009
82 HG2 ARG 12 2HG ARG 12 -5.673 8.727 1.325
83 HG3 ARG 12 3HG ARG 12 -4.964 10.307 1.699
84 HD2 ARG 12 2HD ARG 12 -6.718 10.159 3.719
85 HD3 ARG 12 3HD ARG 12 -6.454 8.431 3.438
86 HE ARG 12 HE ARG 12 -3.963 9.720 3.503
87 HH11 ARG 12 2HH1 ARG 12 -6.562 8.829 5.654
88 HH12 ARG 12 1HH1 ARG 12 -5.569 8.847 7.078
89 HH21 ARG 12 2HH2 ARG 12 -2.649 9.802 5.349
90 HH22 ARG 12 1HH2 ARG 12 -3.316 9.362 6.901
91 H GLU 13 H GLU 13 -4.261 10.890 -0.811
92 HA GLU 13 HA GLU 13 -3.117 13.311 -0.000
93 HB2 GLU 13 2HB GLU 13 -3.959 12.719 2.205
94 HB3 GLU 13 3HB GLU 13 -3.256 11.102 2.067
95 HG2 GLU 13 2HG GLU 13 -0.999 12.124 2.093
96 HG3 GLU 13 3HG GLU 13 -1.771 13.691 2.383
97 HE2 GLU 13 HE GLU 13 -2.120 13.025 5.719
98 H TRP 14 H TRP 14 -0.685 13.063 0.007
99 HA TRP 14 HA TRP 14 0.091 10.439 -1.089
100 HB2 TRP 14 2HB TRP 14 0.144 12.298 -2.776
101 HB3 TRP 14 3HB TRP 14 1.370 13.091 -1.787
102 HD1 TRP 14 1HD TRP 14 3.853 12.057 -1.799
103 HE1 TRP 14 1HE TRP 14 5.027 10.395 -3.372
104 HE3 TRP 14 3HE TRP 14 -0.245 10.199 -4.241
105 HZ2 TRP 14 2HZ TRP 14 4.324 8.554 -5.368
106 HZ3 TRP 14 3HZ TRP 14 0.105 8.488 -5.974
107 HH2 TRP 14 2HH TRP 14 2.347 7.685 -6.521
108 H TYR 15 H TYR 15 0.672 9.663 0.917
109 HA TYR 15 HA TYR 15 3.368 10.532 1.643
110 HB2 TYR 15 2HB TYR 15 1.140 9.519 3.398
111 HB3 TYR 15 3HB TYR 15 2.806 9.103 3.806
112 HD1 TYR 15 1HD TYR 15 0.610 12.039 3.160
113 HD2 TYR 15 2HD TYR 15 4.147 10.576 5.015
114 HE1 TYR 15 1HE TYR 15 0.886 14.192 4.317
115 HE2 TYR 15 2HE TYR 15 4.434 12.724 6.175
116 HH TYR 15 HH TYR 15 3.776 15.010 6.022
117 HA PRO 16 HA PRO 16 3.367 6.636 -0.459
118 HB2 PRO 16 2HB PRO 16 5.765 6.866 -1.681
119 HB3 PRO 16 3HB PRO 16 4.335 7.758 -2.196
120 HG2 PRO 16 2HG PRO 16 6.691 8.664 -0.621
121 HG3 PRO 16 3HG PRO 16 5.700 9.561 -1.832
122 HD2 PRO 16 2HD PRO 16 5.516 9.749 0.979
123 HD3 PRO 16 3HD PRO 16 4.334 10.345 -0.198
124 H VAL 17 H VAL 17 3.994 4.681 0.120
125 HA VAL 17 HA VAL 17 6.471 4.308 1.622
126 HB VAL 17 HB VAL 17 5.398 2.780 3.222
127 HG11 VAL 17 1HG1 VAL 17 4.223 4.461 4.599
128 HG12 VAL 17 2HG1 VAL 17 5.752 5.048 3.941
129 HG13 VAL 17 3HG1 VAL 17 4.227 5.554 3.215
130 HG21 VAL 17 3HG2 VAL 17 3.483 2.089 1.913
131 HG22 VAL 17 1HG2 VAL 17 2.952 2.746 3.462
132 HG23 VAL 17 2HG2 VAL 17 2.808 3.718 1.997
133 H CYS 18 H CYS 18 7.059 1.970 1.702
134 HA CYS 18 HA CYS 18 5.980 0.582 -0.659
135 HB2 CYS 18 2HB CYS 18 8.324 1.346 -0.861
136 HB3 CYS 18 3HB CYS 18 8.744 0.342 0.537
137 H GLY 19 H GLY 19 5.119 -1.375 -0.362
138 HA2 GLY 19 2HA GLY 19 5.025 -2.427 2.363
139 HA3 GLY 19 3HA GLY 19 4.123 -3.033 0.964
140 H SER 20 H SER 20 5.535 -4.646 2.848
141 HA SER 20 HA SER 20 8.137 -5.328 2.176
142 HB2 SER 20 2HB SER 20 5.969 -7.072 3.362
143 HB3 SER 20 3HB SER 20 7.695 -7.472 3.342
144 HG SER 20 HG SER 20 8.087 -5.577 4.575
145 H ASP 21 H ASP 21 5.339 -5.955 0.348
146 HA ASP 21 HA ASP 21 6.357 -8.231 -1.081
147 HB2 ASP 21 2HB ASP 21 3.952 -7.820 -0.969
148 HB3 ASP 21 3HB ASP 21 4.165 -6.243 -1.744
149 HD2 ASP 21 HD ASP 21 4.384 -9.467 -4.051
150 H GLY 22 H GLY 22 7.290 -5.086 -0.906
151 HA2 GLY 22 2HA GLY 22 8.855 -3.893 -2.139
152 HA3 GLY 22 3HA GLY 22 8.775 -5.137 -3.393
153 H VAL 23 H VAL 23 5.955 -3.571 -2.020
154 HA VAL 23 HA VAL 23 5.336 -2.676 -4.761
155 HB VAL 23 HB VAL 23 3.804 -4.332 -4.033
156 HG11 VAL 23 1HG1 VAL 23 2.460 -4.113 -1.994
157 HG12 VAL 23 2HG1 VAL 23 4.185 -4.250 -1.663
158 HG13 VAL 23 3HG1 VAL 23 3.390 -2.680 -1.557
159 HG21 VAL 23 3HG2 VAL 23 2.808 -2.481 -5.264
160 HG22 VAL 23 1HG2 VAL 23 1.664 -3.162 -4.105
161 HG23 VAL 23 2HG2 VAL 23 2.481 -1.639 -3.748
162 H THR 24 H THR 24 4.667 -0.645 -5.200
163 HA THR 24 HA THR 24 5.294 1.409 -3.275
164 HB THR 24 HB THR 24 4.210 1.626 -6.092
165 HG1 THR 24 1HG THR 24 6.355 1.888 -6.690
166 HG21 THR 24 3HG2 THR 24 5.069 3.921 -6.023
167 HG22 THR 24 1HG2 THR 24 5.530 3.697 -4.334
168 HG23 THR 24 2HG2 THR 24 3.829 3.659 -4.797
169 H TYR 25 H TYR 25 3.863 2.180 -1.879
170 HA TYR 25 HA TYR 25 1.034 2.184 -2.625
171 HB2 TYR 25 2HB TYR 25 2.461 2.295 0.030
172 HB3 TYR 25 3HB TYR 25 0.740 2.576 -0.151
173 HD1 TYR 25 2HD TYR 25 -0.534 0.704 -1.559
174 HD2 TYR 25 1HD TYR 25 3.112 0.132 0.546
175 HE1 TYR 25 2HE TYR 25 -0.972 -1.713 -1.479
176 HE2 TYR 25 1HE TYR 25 2.689 -2.285 0.628
177 HH TYR 25 HH TYR 25 0.341 -3.815 -1.245
178 H SER 26 H SER 26 0.028 4.011 -2.993
179 HA SER 26 HA SER 26 1.428 6.439 -3.295
180 HB2 SER 26 2HB SER 26 -1.540 5.826 -3.315
181 HB3 SER 26 3HB SER 26 -0.816 7.341 -3.876
182 HG SER 26 HG SER 26 -0.521 6.374 -5.707
183 H ASN 27 H ASN 27 -0.359 5.119 -0.643
184 HA ASN 27 HA ASN 27 0.403 7.154 1.153
185 HB2 ASN 27 2HB ASN 27 -1.964 7.945 1.699
186 HB3 ASN 27 3HB ASN 27 -1.258 8.577 0.207
187 HD21 ASN 27 1HD2 ASN 27 -2.431 8.449 -1.562
188 HD22 ASN 27 2HD2 ASN 27 -3.778 7.388 -1.825
189 HA PRO 28 HA PRO 28 -0.637 4.175 4.303
190 HB2 PRO 28 2HB PRO 28 -2.701 6.076 5.395
191 HB3 PRO 28 3HB PRO 28 -1.424 5.187 6.228
192 HG2 PRO 28 2HG PRO 28 -1.181 7.783 5.672
193 HG3 PRO 28 3HG PRO 28 0.232 6.670 5.561
194 HD2 PRO 28 2HD PRO 28 -1.392 7.945 3.401
195 HD3 PRO 28 3HD PRO 28 0.324 7.505 3.425
196 H CYS 29 H CYS 29 -3.511 5.864 3.059
197 HA CYS 29 HA CYS 29 -5.401 3.871 3.511
198 HB2 CYS 29 2HB CYS 29 -6.073 6.089 2.913
199 HB3 CYS 29 3HB CYS 29 -5.243 5.984 1.352
200 H ASN 30 H ASN 30 -3.233 4.361 0.755
201 HA ASN 30 HA ASN 30 -4.189 2.285 -0.886
202 HB2 ASN 30 2HB ASN 30 -2.527 4.181 -1.429
203 HB3 ASN 30 3HB ASN 30 -1.295 3.133 -0.714
204 HD21 ASN 30 1HD2 ASN 30 -2.667 0.698 -1.786
205 HD22 ASN 30 2HD2 ASN 30 -2.264 0.680 -3.466
206 H PHE 31 H PHE 31 -1.656 2.357 1.591
207 HA PHE 31 HA PHE 31 -0.809 -0.323 1.338
208 HB2 PHE 31 1HB PHE 31 0.517 1.425 2.429
209 HB3 PHE 31 2HB PHE 31 -0.708 1.596 3.685
210 HD1 PHE 31 1HD PHE 31 2.083 -0.470 2.476
211 HD2 PHE 31 2HD PHE 31 -0.881 0.001 5.499
212 HE1 PHE 31 1HE PHE 31 3.307 -2.032 3.916
213 HE2 PHE 31 2HE PHE 31 0.334 -1.584 6.932
214 HZ PHE 31 HZ PHE 31 2.433 -2.606 6.137
215 H SER 32 H SER 32 -3.115 1.248 3.533
216 HA SER 32 HA SER 32 -3.790 -1.059 4.992
217 HB2 SER 32 2HB SER 32 -4.246 1.173 5.850
218 HB3 SER 32 3HB SER 32 -5.362 1.484 4.511
219 HG SER 32 HG SER 32 -6.468 -0.531 5.418
220 H ALA 33 H ALA 33 -5.455 0.521 2.247
221 HA ALA 33 HA ALA 33 -7.670 -1.232 2.286
222 HB1 ALA 33 1HB ALA 33 -7.727 0.988 1.235
223 HB2 ALA 33 2HB ALA 33 -6.640 0.402 -0.027
224 HB3 ALA 33 3HB ALA 33 -8.257 -0.284 0.134
225 H GLN 34 H GLN 34 -4.717 -1.192 0.338
226 HA GLN 34 HA GLN 34 -5.499 -3.309 -1.349
227 HB2 GLN 34 2HB GLN 34 -3.695 -1.809 -1.980
228 HB3 GLN 34 3HB GLN 34 -2.730 -2.352 -0.601
229 HG2 GLN 34 2HG GLN 34 -1.907 -3.418 -2.581
230 HG3 GLN 34 3HG GLN 34 -2.702 -4.628 -1.563
231 HE21 GLN 34 1HE2 GLN 34 -2.202 -4.861 -4.349
232 HE22 GLN 34 2HE2 GLN 34 -3.727 -4.980 -5.144
233 H GLN 35 H GLN 35 -3.739 -3.207 1.705
234 HA GLN 35 HA GLN 35 -3.140 -5.993 1.579
235 HB2 GLN 35 2HB GLN 35 -2.739 -3.830 3.598
236 HB3 GLN 35 3HB GLN 35 -2.367 -5.517 3.965
237 HG2 GLN 35 2HG GLN 35 -0.762 -5.680 2.270
238 HG3 GLN 35 3HG GLN 35 -1.323 -4.190 1.499
239 HE21 GLN 35 1HE2 GLN 35 0.771 -3.429 1.494
240 HE22 GLN 35 2HE2 GLN 35 1.479 -2.814 2.944
241 H GLU 36 H GLU 36 -5.598 -4.073 3.273
242 HA GLU 36 HA GLU 36 -6.570 -6.244 4.789
243 HB2 GLU 36 2HB GLU 36 -8.626 -4.951 5.086
244 HB3 GLU 36 3HB GLU 36 -7.181 -3.969 5.359
245 HG2 GLU 36 2HG GLU 36 -7.468 -3.159 2.959
246 HG3 GLU 36 3HG GLU 36 -9.081 -3.879 3.048
247 HE2 GLU 36 HE GLU 36 -8.441 -0.829 5.533
248 H GLN 37 H GLN 37 -7.021 -5.316 1.449
249 HA GLN 37 HA GLN 37 -9.074 -7.334 1.027
250 HB2 GLN 37 2HB GLN 37 -7.433 -5.776 -0.974
251 HB3 GLN 37 3HB GLN 37 -8.839 -6.788 -1.347
252 HG2 GLN 37 2HG GLN 37 -10.338 -5.268 -0.425
253 HG3 GLN 37 3HG GLN 37 -9.078 -4.468 0.527
254 HE21 GLN 37 1HE2 GLN 37 -7.186 -4.451 -1.666
255 HE22 GLN 37 2HE2 GLN 37 -7.704 -3.215 -2.752
256 H CYS 38 H CYS 38 -5.596 -7.010 0.611
257 HA CYS 38 HA CYS 38 -5.586 -9.599 -0.792
258 HB2 CYS 38 2HB CYS 38 -3.387 -7.549 -0.902
259 HB3 CYS 38 3HB CYS 38 -3.660 -8.917 -1.993
260 H ASP 39 H ASP 39 -3.004 -7.779 0.859
261 HA ASP 39 HA ASP 39 -2.384 -10.260 2.325
262 HB2 ASP 39 2HB ASP 39 -0.895 -9.772 0.289
263 HB3 ASP 39 3HB ASP 39 -0.252 -8.422 1.247
264 HD2 ASP 39 HD ASP 39 1.056 -12.012 2.013
265 HA PRO 40 HA PRO 40 -2.658 -6.906 5.427
266 HB2 PRO 40 2HB PRO 40 -3.273 -9.146 7.252
267 HB3 PRO 40 3HB PRO 40 -4.217 -7.707 6.870
268 HG2 PRO 40 2HG PRO 40 -4.886 -10.198 6.046
269 HG3 PRO 40 3HG PRO 40 -5.280 -8.717 5.096
270 HD2 PRO 40 2HD PRO 40 -3.105 -10.750 4.689
271 HD3 PRO 40 3HD PRO 40 -4.111 -9.917 3.493
272 H ASN 41 H ASN 41 -0.634 -9.568 4.964
273 HA ASN 41 HA ASN 41 0.511 -9.551 7.629
274 HB2 ASN 41 2HB ASN 41 1.081 -11.321 5.247
275 HB3 ASN 41 3HB ASN 41 1.783 -11.525 6.857
276 HD21 ASN 41 1HD2 ASN 41 -0.728 -10.747 8.197
277 HD22 ASN 41 2HD2 ASN 41 -1.783 -12.116 8.035
278 H ILE 42 H ILE 42 1.281 -8.033 4.627
279 HA ILE 42 HA ILE 42 4.120 -8.049 5.159
280 HB ILE 42 HB ILE 42 4.503 -6.681 3.290
281 HG12 ILE 42 2HG1 ILE 42 1.553 -6.046 3.230
282 HG13 ILE 42 3HG1 ILE 42 2.850 -4.938 3.707
283 HG21 ILE 42 1HG2 ILE 42 3.861 -8.905 2.660
284 HG22 ILE 42 2HG2 ILE 42 2.159 -8.436 2.643
285 HG23 ILE 42 3HG2 ILE 42 3.273 -7.741 1.468
286 HD11 ILE 42 3HD1 ILE 42 2.472 -6.136 0.970
287 HD12 ILE 42 1HD1 ILE 42 2.150 -4.468 1.443
288 HD13 ILE 42 2HD1 ILE 42 3.806 -5.082 1.452
289 H THR 43 H THR 43 5.338 -6.049 5.363
290 HA THR 43 HA THR 43 3.976 -4.129 7.135
291 HB THR 43 HB THR 43 6.226 -3.899 8.274
292 HG1 THR 43 1HG THR 43 6.937 -5.584 6.314
293 HG21 THR 43 3HG2 THR 43 4.864 -6.590 8.439
294 HG22 THR 43 1HG2 THR 43 4.416 -5.135 9.330
295 HG23 THR 43 2HG2 THR 43 5.962 -5.923 9.647
296 H ILE 44 H ILE 44 5.279 -1.988 7.237
297 HA ILE 44 HA ILE 44 5.779 -1.111 4.562
298 HB ILE 44 HB ILE 44 6.482 0.262 7.169
299 HG12 ILE 44 2HG1 ILE 44 4.079 0.594 5.355
300 HG13 ILE 44 3HG1 ILE 44 4.073 -0.211 6.933
301 HG21 ILE 44 1HG2 ILE 44 6.258 1.382 4.377
302 HG22 ILE 44 2HG2 ILE 44 6.568 2.313 5.841
303 HG23 ILE 44 3HG2 ILE 44 7.754 1.137 5.279
304 HD11 ILE 44 3HD1 ILE 44 4.635 2.703 6.438
305 HD12 ILE 44 1HD1 ILE 44 3.168 2.014 7.134
306 HD13 ILE 44 2HD1 ILE 44 4.694 1.902 8.009
307 H ALA 45 H ALA 45 7.528 -1.504 3.438
308 HA ALA 45 HA ALA 45 9.864 -2.683 4.610
309 HB1 ALA 45 1HB ALA 45 9.046 -3.356 2.397
310 HB2 ALA 45 2HB ALA 45 9.386 -1.738 1.781
311 HB3 ALA 45 3HB ALA 45 10.709 -2.770 2.322
312 H HIS 46 H HIS 46 9.188 0.364 2.923
313 HA HIS 46 HA HIS 46 10.919 1.771 4.690
314 HB2 HIS 46 2HB HIS 46 12.504 2.651 3.108
315 HB3 HIS 46 3HB HIS 46 12.581 0.889 3.070
316 HD1 HIS 46 1HD HIS 46 11.433 3.816 0.982
317 HD2 HIS 46 2HD HIS 46 12.017 -0.287 0.642
318 HE1 HIS 46 1HE HIS 46 11.268 3.308 -1.473
319 HE2 HIS 46 2HE HIS 46 11.895 0.873 -1.665
320 H MET 47 H MET 47 10.738 4.038 4.491
321 HA MET 47 HA MET 47 8.186 4.898 3.515
322 HB2 MET 47 2HB MET 47 9.495 5.767 5.561
323 HB3 MET 47 3HB MET 47 10.441 6.701 4.395
324 HG2 MET 47 2HG MET 47 7.441 6.890 4.579
325 HG3 MET 47 3HG MET 47 8.532 7.897 5.535
326 HE1 MET 47 3HE MET 47 6.235 8.922 3.495
327 HE2 MET 47 1HE MET 47 7.208 10.004 4.494
328 HE3 MET 47 2HE MET 47 7.065 10.297 2.760
329 H GLY 48 H GLY 48 7.763 6.154 1.720
330 HA2 GLY 48 2HA GLY 48 8.465 7.436 -0.187
331 HA3 GLY 48 3HA GLY 48 10.016 6.586 -0.123
332 H GLU 49 H GLU 49 7.819 6.916 -2.184
333 HA GLU 49 HA GLU 49 6.589 4.490 -2.749
334 HB2 GLU 49 2HB GLU 49 6.705 5.354 -5.159
335 HB3 GLU 49 3HB GLU 49 5.893 6.376 -3.964
336 HG2 GLU 49 2HG GLU 49 8.277 7.466 -3.733
337 HG3 GLU 49 3HG GLU 49 8.495 6.783 -5.350
338 HE2 GLU 49 HE GLU 49 6.316 9.082 -6.771
339 H CYS 50 H CYS 50 7.153 2.705 -4.005
340 HA CYS 50 HA CYS 50 10.000 2.131 -3.995
341 HB2 CYS 50 1HB CYS 50 7.586 0.634 -3.620
342 HB3 CYS 50 2HB CYS 50 8.545 -0.106 -4.913
Start of MODEL 2
1 H1 ALA 1 1H ALA 1 -12.296 -6.988 -1.901
2 H2 ALA 1 2H ALA 1 -11.436 -8.196 -1.078
3 H3 ALA 1 3H ALA 1 -12.715 -8.617 -2.103
4 HA ALA 1 HA ALA 1 -11.534 -7.897 -4.026
5 HB1 ALA 1 2HB ALA 1 -10.373 -6.009 -3.011
6 HB2 ALA 1 3HB ALA 1 -9.333 -7.121 -2.121
7 HB3 ALA 1 1HB ALA 1 -9.247 -7.054 -3.881
8 H GLU 2 H GLU 2 -10.433 -9.613 -1.186
9 HA GLU 2 HA GLU 2 -9.519 -11.647 -0.848
10 HB2 GLU 2 2HB GLU 2 -10.397 -12.026 -3.709
11 HB3 GLU 2 3HB GLU 2 -9.536 -13.293 -2.821
12 HG2 GLU 2 2HG GLU 2 -11.879 -13.756 -2.720
13 HG3 GLU 2 3HG GLU 2 -11.330 -13.256 -1.114
14 HE2 GLU 2 HE GLU 2 -13.452 -10.552 -1.081
15 H ASP 3 H ASP 3 -8.520 -11.046 -4.208
16 HA ASP 3 HA ASP 3 -5.724 -11.075 -3.289
17 HB2 ASP 3 2HB ASP 3 -6.065 -13.217 -4.305
18 HB3 ASP 3 3HB ASP 3 -6.909 -12.495 -5.680
19 HD2 ASP 3 HD ASP 3 -2.945 -12.356 -5.650
20 H CYS 4 H CYS 4 -4.812 -9.187 -3.711
21 HA CYS 4 HA CYS 4 -4.973 -8.154 -6.401
22 HB2 CYS 4 2HB CYS 4 -5.488 -5.874 -5.779
23 HB3 CYS 4 3HB CYS 4 -6.805 -6.945 -5.277
24 H VAL 5 H VAL 5 -2.949 -7.985 -6.972
25 HA VAL 5 HA VAL 5 -1.006 -7.068 -4.960
26 HB VAL 5 HB VAL 5 -0.568 -9.351 -5.819
27 HG11 VAL 5 1HG1 VAL 5 -0.120 -7.989 -8.468
28 HG12 VAL 5 2HG1 VAL 5 0.217 -9.681 -8.100
29 HG13 VAL 5 3HG1 VAL 5 -1.444 -9.085 -8.075
30 HG21 VAL 5 3HG2 VAL 5 1.811 -8.998 -6.372
31 HG22 VAL 5 1HG2 VAL 5 1.487 -7.274 -6.561
32 HG23 VAL 5 2HG2 VAL 5 1.282 -8.042 -4.988
33 H GLY 6 H GLY 6 0.102 -5.244 -5.321
34 HA2 GLY 6 2HA GLY 6 1.201 -3.810 -7.044
35 HA3 GLY 6 3HA GLY 6 -0.329 -3.930 -7.927
36 H ARG 7 H ARG 7 -1.468 -2.119 -7.790
37 HA ARG 7 HA ARG 7 -1.602 -0.816 -5.162
38 HB2 ARG 7 2HB ARG 7 -1.548 1.382 -6.206
39 HB3 ARG 7 3HB ARG 7 -0.081 0.469 -6.593
40 HG2 ARG 7 2HG ARG 7 -1.200 -0.159 -8.781
41 HG3 ARG 7 3HG ARG 7 -2.415 1.072 -8.384
42 HD2 ARG 7 2HD ARG 7 0.566 1.567 -8.588
43 HD3 ARG 7 3HD ARG 7 -0.620 1.922 -9.855
44 HE ARG 7 HE ARG 7 -1.660 3.461 -8.136
45 HH11 ARG 7 2HH1 ARG 7 1.748 2.675 -8.086
46 HH12 ARG 7 1HH1 ARG 7 2.232 4.204 -7.412
47 HH21 ARG 7 2HH2 ARG 7 -1.048 5.456 -7.232
48 HH22 ARG 7 1HH2 ARG 7 0.627 5.783 -6.915
49 H LYS 8 H LYS 8 -3.580 -0.545 -4.446
50 HA LYS 8 HA LYS 8 -5.813 -0.416 -6.339
51 HB2 LYS 8 2HB LYS 8 -5.878 -0.476 -3.305
52 HB3 LYS 8 3HB LYS 8 -7.264 -0.647 -4.391
53 HG2 LYS 8 2HG LYS 8 -4.986 -2.599 -4.082
54 HG3 LYS 8 3HG LYS 8 -6.636 -2.786 -3.464
55 HD2 LYS 8 2HD LYS 8 -5.990 -2.478 -6.401
56 HD3 LYS 8 3HD LYS 8 -6.106 -4.045 -5.585
57 HE2 LYS 8 2HE LYS 8 -8.226 -3.791 -6.500
58 HE3 LYS 8 3HE LYS 8 -8.439 -3.233 -4.835
59 HZ1 LYS 8 3HZ LYS 8 -9.490 -1.775 -6.486
60 HZ2 LYS 8 1HZ LYS 8 -7.970 -1.445 -7.160
61 HZ3 LYS 8 2HZ LYS 8 -8.321 -0.963 -5.571
62 H ALA 9 H ALA 9 -6.699 1.562 -6.808
63 HA ALA 9 HA ALA 9 -5.008 3.735 -6.057
64 HB1 ALA 9 1HB ALA 9 -6.235 5.036 -7.664
65 HB2 ALA 9 2HB ALA 9 -5.877 3.444 -8.336
66 HB3 ALA 9 3HB ALA 9 -7.498 3.808 -7.740
67 H CYS 10 H CYS 10 -5.179 4.802 -4.298
68 HA CYS 10 HA CYS 10 -7.720 6.124 -3.702
69 HB2 CYS 10 2HB CYS 10 -7.500 4.386 -2.017
70 HB3 CYS 10 3HB CYS 10 -5.824 4.854 -1.695
71 H THR 11 H THR 11 -7.372 8.342 -3.060
72 HA THR 11 HA THR 11 -4.673 9.283 -2.719
73 HB THR 11 HB THR 11 -6.164 10.299 -5.147
74 HG1 THR 11 1HG THR 11 -4.473 8.112 -4.824
75 HG21 THR 11 3HG2 THR 11 -3.304 10.634 -4.242
76 HG22 THR 11 1HG2 THR 11 -4.575 11.848 -4.088
77 HG23 THR 11 2HG2 THR 11 -4.028 11.339 -5.686
78 H ARG 12 H ARG 12 -6.221 9.594 -0.808
79 HA ARG 12 HA ARG 12 -7.494 12.231 -0.974
80 HB2 ARG 12 2HB ARG 12 -8.465 11.729 1.176
81 HB3 ARG 12 3HB ARG 12 -8.708 10.328 0.119
82 HG2 ARG 12 2HG ARG 12 -6.641 9.319 1.181
83 HG3 ARG 12 3HG ARG 12 -6.755 10.621 2.380
84 HD2 ARG 12 2HD ARG 12 -7.885 8.816 3.365
85 HD3 ARG 12 3HD ARG 12 -9.160 9.866 2.737
86 HE ARG 12 HE ARG 12 -8.258 7.365 1.460
87 HH11 ARG 12 2HH1 ARG 12 -10.712 9.816 1.972
88 HH12 ARG 12 1HH1 ARG 12 -11.975 8.881 1.219
89 HH21 ARG 12 2HH2 ARG 12 -9.910 6.143 0.480
90 HH22 ARG 12 1HH2 ARG 12 -11.521 6.789 0.378
91 H GLU 13 H GLU 13 -4.582 11.247 -0.884
92 HA GLU 13 HA GLU 13 -3.267 13.237 0.545
93 HB2 GLU 13 2HB GLU 13 -4.197 12.160 2.541
94 HB3 GLU 13 3HB GLU 13 -3.573 10.597 1.992
95 HG2 GLU 13 2HG GLU 13 -1.270 11.474 2.218
96 HG3 GLU 13 3HG GLU 13 -1.952 12.957 2.897
97 HE2 GLU 13 HE GLU 13 -2.148 9.674 5.129
98 H TRP 14 H TRP 14 -0.945 12.928 0.313
99 HA TRP 14 HA TRP 14 -0.211 10.421 -1.039
100 HB2 TRP 14 2HB TRP 14 -0.285 12.281 -2.684
101 HB3 TRP 14 3HB TRP 14 0.898 13.157 -1.716
102 HD1 TRP 14 1HD TRP 14 3.444 12.351 -1.810
103 HE1 TRP 14 1HE TRP 14 4.722 10.792 -3.418
104 HE3 TRP 14 3HE TRP 14 -0.542 10.162 -4.135
105 HZ2 TRP 14 2HZ TRP 14 4.108 8.898 -5.417
106 HZ3 TRP 14 3HZ TRP 14 -0.110 8.487 -5.887
107 HH2 TRP 14 2HH TRP 14 2.166 7.872 -6.512
108 H TYR 15 H TYR 15 0.531 9.571 0.883
109 HA TYR 15 HA TYR 15 3.242 10.481 1.474
110 HB2 TYR 15 2HB TYR 15 1.176 9.316 3.342
111 HB3 TYR 15 3HB TYR 15 2.894 9.036 3.636
112 HD1 TYR 15 2HD TYR 15 4.404 10.910 4.158
113 HD2 TYR 15 1HD TYR 15 0.210 11.484 3.758
114 HE1 TYR 15 2HE TYR 15 4.600 13.080 5.294
115 HE2 TYR 15 1HE TYR 15 0.393 13.656 4.894
116 HH TYR 15 HH TYR 15 3.361 15.205 5.428
117 HA PRO 16 HA PRO 16 3.232 6.629 -0.720
118 HB2 PRO 16 2HB PRO 16 5.603 6.879 -1.964
119 HB3 PRO 16 3HB PRO 16 4.203 7.849 -2.416
120 HG2 PRO 16 2HG PRO 16 6.558 8.572 -0.715
121 HG3 PRO 16 3HG PRO 16 5.713 9.548 -1.975
122 HD2 PRO 16 2HD PRO 16 5.329 9.784 0.773
123 HD3 PRO 16 3HD PRO 16 4.181 10.305 -0.472
124 H VAL 17 H VAL 17 3.913 4.633 -0.156
125 HA VAL 17 HA VAL 17 6.343 4.376 1.446
126 HB VAL 17 HB VAL 17 5.294 2.909 3.080
127 HG11 VAL 17 1HG1 VAL 17 5.460 5.285 3.610
128 HG12 VAL 17 2HG1 VAL 17 3.864 5.556 2.906
129 HG13 VAL 17 3HG1 VAL 17 4.032 4.559 4.354
130 HG21 VAL 17 3HG2 VAL 17 2.696 3.590 1.707
131 HG22 VAL 17 1HG2 VAL 17 3.479 2.008 1.762
132 HG23 VAL 17 2HG2 VAL 17 2.842 2.728 3.241
133 H CYS 18 H CYS 18 6.842 2.004 1.774
134 HA CYS 18 HA CYS 18 6.123 0.556 -0.680
135 HB2 CYS 18 2HB CYS 18 8.430 1.251 -0.705
136 HB3 CYS 18 3HB CYS 18 8.698 0.547 0.899
137 H GLY 19 H GLY 19 5.155 -1.347 -0.433
138 HA2 GLY 19 2HA GLY 19 4.801 -2.479 2.225
139 HA3 GLY 19 3HA GLY 19 4.173 -3.129 0.703
140 H SER 20 H SER 20 5.653 -4.464 2.930
141 HA SER 20 HA SER 20 8.360 -4.758 2.326
142 HB2 SER 20 2HB SER 20 8.268 -6.758 3.828
143 HB3 SER 20 3HB SER 20 7.581 -5.279 4.520
144 HG SER 20 HG SER 20 6.378 -7.665 3.982
145 H ASP 21 H ASP 21 5.715 -6.137 0.671
146 HA ASP 21 HA ASP 21 7.128 -8.377 -0.418
147 HB2 ASP 21 2HB ASP 21 4.680 -8.287 -0.470
148 HB3 ASP 21 3HB ASP 21 4.746 -6.840 -1.486
149 HD2 ASP 21 HD ASP 21 5.069 -8.725 -4.339
150 H GLY 22 H GLY 22 7.465 -5.086 -0.713
151 HA2 GLY 22 2HA GLY 22 9.157 -4.006 -1.942
152 HA3 GLY 22 3HA GLY 22 9.142 -5.350 -3.093
153 H VAL 23 H VAL 23 6.166 -3.841 -2.000
154 HA VAL 23 HA VAL 23 5.787 -2.976 -4.794
155 HB VAL 23 HB VAL 23 4.258 -4.695 -4.217
156 HG11 VAL 23 1HG1 VAL 23 3.513 -3.074 -1.797
157 HG12 VAL 23 2HG1 VAL 23 2.724 -4.558 -2.323
158 HG13 VAL 23 3HG1 VAL 23 4.409 -4.592 -1.810
159 HG21 VAL 23 3HG2 VAL 23 2.817 -2.052 -4.071
160 HG22 VAL 23 1HG2 VAL 23 3.317 -2.883 -5.543
161 HG23 VAL 23 2HG2 VAL 23 2.093 -3.601 -4.496
162 H THR 24 H THR 24 5.012 -0.943 -5.278
163 HA THR 24 HA THR 24 5.520 1.082 -3.269
164 HB THR 24 HB THR 24 4.616 1.373 -6.145
165 HG1 THR 24 1HG THR 24 6.708 0.445 -5.935
166 HG21 THR 24 3HG2 THR 24 5.707 3.416 -4.209
167 HG22 THR 24 1HG2 THR 24 4.055 3.333 -4.819
168 HG23 THR 24 2HG2 THR 24 5.383 3.700 -5.919
169 H TYR 25 H TYR 25 3.999 1.784 -1.949
170 HA TYR 25 HA TYR 25 1.223 1.671 -2.854
171 HB2 TYR 25 2HB TYR 25 2.508 1.587 -0.141
172 HB3 TYR 25 3HB TYR 25 0.813 1.997 -0.337
173 HD1 TYR 25 2HD TYR 25 -0.467 0.359 -2.051
174 HD2 TYR 25 1HD TYR 25 2.939 -0.666 0.275
175 HE1 TYR 25 2HE TYR 25 -1.047 -2.012 -2.271
176 HE2 TYR 25 1HE TYR 25 2.370 -3.047 0.056
177 HH TYR 25 HH TYR 25 0.104 -4.397 -0.399
178 H SER 26 H SER 26 0.014 3.395 -2.991
179 HA SER 26 HA SER 26 1.288 5.844 -3.521
180 HB2 SER 26 2HB SER 26 -0.672 5.110 -4.754
181 HB3 SER 26 3HB SER 26 -1.646 5.139 -3.275
182 HG SER 26 HG SER 26 -0.658 7.519 -3.399
183 H ASN 27 H ASN 27 -0.403 4.658 -0.706
184 HA ASN 27 HA ASN 27 0.546 6.663 1.000
185 HB2 ASN 27 2HB ASN 27 -1.621 7.820 1.516
186 HB3 ASN 27 3HB ASN 27 -0.969 8.192 -0.086
187 HD21 ASN 27 1HD2 ASN 27 -2.927 8.814 -0.913
188 HD22 ASN 27 2HD2 ASN 27 -4.183 7.677 -1.278
189 HA PRO 28 HA PRO 28 -0.801 3.927 4.254
190 HB2 PRO 28 2HB PRO 28 -2.630 6.089 5.288
191 HB3 PRO 28 3HB PRO 28 -1.462 5.082 6.147
192 HG2 PRO 28 2HG PRO 28 -0.915 7.610 5.514
193 HG3 PRO 28 3HG PRO 28 0.357 6.336 5.418
194 HD2 PRO 28 2HD PRO 28 -1.155 7.721 3.238
195 HD3 PRO 28 3HD PRO 28 0.506 7.110 3.252
196 H CYS 29 H CYS 29 -3.468 5.871 2.915
197 HA CYS 29 HA CYS 29 -5.605 4.182 3.437
198 HB2 CYS 29 2HB CYS 29 -5.943 6.405 2.586
199 HB3 CYS 29 3HB CYS 29 -5.085 6.018 1.085
200 H ASN 30 H ASN 30 -3.464 4.240 0.617
201 HA ASN 30 HA ASN 30 -4.666 2.064 -0.726
202 HB2 ASN 30 2HB ASN 30 -3.393 3.629 -1.978
203 HB3 ASN 30 3HB ASN 30 -1.976 3.412 -0.944
204 HD21 ASN 30 1HD2 ASN 30 -3.812 0.660 -2.065
205 HD22 ASN 30 2HD2 ASN 30 -2.606 0.082 -3.156
206 H PHE 31 H PHE 31 -1.784 2.223 1.386
207 HA PHE 31 HA PHE 31 -1.075 -0.478 1.120
208 HB2 PHE 31 1HB PHE 31 0.523 1.117 1.983
209 HB3 PHE 31 2HB PHE 31 -0.526 1.494 3.351
210 HD1 PHE 31 1HD PHE 31 -0.845 -0.129 5.179
211 HD2 PHE 31 2HD PHE 31 1.960 -0.829 2.049
212 HE1 PHE 31 1HE PHE 31 0.254 -1.848 6.546
213 HE2 PHE 31 2HE PHE 31 3.057 -2.543 3.419
214 HZ PHE 31 HZ PHE 31 2.202 -3.059 5.666
215 H SER 32 H SER 32 -3.064 1.182 3.561
216 HA SER 32 HA SER 32 -3.396 -1.090 5.197
217 HB2 SER 32 2HB SER 32 -5.299 0.187 6.210
218 HB3 SER 32 3HB SER 32 -3.787 1.105 6.121
219 HG SER 32 HG SER 32 -4.589 2.352 4.553
220 H ALA 33 H ALA 33 -5.529 0.353 2.734
221 HA ALA 33 HA ALA 33 -7.621 -1.509 3.068
222 HB1 ALA 33 1HB ALA 33 -6.938 0.185 0.669
223 HB2 ALA 33 2HB ALA 33 -8.481 -0.627 0.953
224 HB3 ALA 33 3HB ALA 33 -7.954 0.669 2.028
225 H GLN 34 H GLN 34 -4.916 -1.367 0.790
226 HA GLN 34 HA GLN 34 -5.658 -3.598 -0.756
227 HB2 GLN 34 2HB GLN 34 -4.049 -1.961 -1.524
228 HB3 GLN 34 3HB GLN 34 -2.956 -2.374 -0.195
229 HG2 GLN 34 2HG GLN 34 -2.010 -3.973 -1.371
230 HG3 GLN 34 3HG GLN 34 -3.574 -4.722 -1.701
231 HE21 GLN 34 1HE2 GLN 34 -3.132 -5.232 -3.809
232 HE22 GLN 34 2HE2 GLN 34 -2.933 -4.038 -5.049
233 H GLN 35 H GLN 35 -3.820 -3.243 2.186
234 HA GLN 35 HA GLN 35 -2.900 -5.956 2.221
235 HB2 GLN 35 2HB GLN 35 -2.459 -3.524 3.768
236 HB3 GLN 35 3HB GLN 35 -2.535 -4.975 4.779
237 HG2 GLN 35 2HG GLN 35 -0.250 -4.445 4.089
238 HG3 GLN 35 3HG GLN 35 -0.777 -6.012 3.495
239 HE21 GLN 35 1HE2 GLN 35 0.501 -3.056 2.719
240 HE22 GLN 35 2HE2 GLN 35 0.588 -3.294 1.015
241 H GLU 36 H GLU 36 -5.527 -4.168 3.778
242 HA GLU 36 HA GLU 36 -6.228 -6.320 5.534
243 HB2 GLU 36 2HB GLU 36 -8.246 -5.034 6.032
244 HB3 GLU 36 3HB GLU 36 -6.806 -4.008 6.091
245 HG2 GLU 36 2HG GLU 36 -7.322 -3.173 3.833
246 HG3 GLU 36 3HG GLU 36 -8.799 -4.148 3.842
247 HE2 GLU 36 HE GLU 36 -10.491 -1.763 5.613
248 H GLN 37 H GLN 37 -7.020 -5.446 2.278
249 HA GLN 37 HA GLN 37 -9.268 -7.284 2.193
250 HB2 GLN 37 2HB GLN 37 -8.049 -5.448 0.130
251 HB3 GLN 37 3HB GLN 37 -9.413 -6.530 -0.203
252 HG2 GLN 37 2HG GLN 37 -10.870 -5.330 1.173
253 HG3 GLN 37 3HG GLN 37 -9.541 -4.542 2.035
254 HE21 GLN 37 1HE2 GLN 37 -8.082 -3.956 -0.402
255 HE22 GLN 37 2HE2 GLN 37 -8.895 -2.626 -1.148
256 H CYS 38 H CYS 38 -5.917 -7.145 1.164
257 HA CYS 38 HA CYS 38 -6.393 -9.623 -0.331
258 HB2 CYS 38 2HB CYS 38 -4.487 -7.399 -1.034
259 HB3 CYS 38 3HB CYS 38 -4.705 -8.905 -1.949
260 H ASP 39 H ASP 39 -3.404 -7.912 0.707
261 HA ASP 39 HA ASP 39 -2.525 -10.546 1.697
262 HB2 ASP 39 2HB ASP 39 -1.342 -9.468 -0.379
263 HB3 ASP 39 3HB ASP 39 -0.532 -8.480 0.845
264 HD2 ASP 39 HD ASP 39 0.831 -12.035 0.287
265 HA PRO 40 HA PRO 40 -2.656 -8.050 5.454
266 HB2 PRO 40 2HB PRO 40 -2.737 -10.213 7.140
267 HB3 PRO 40 3HB PRO 40 -4.148 -9.557 6.314
268 HG2 PRO 40 2HG PRO 40 -2.429 -11.897 5.594
269 HG3 PRO 40 3HG PRO 40 -4.224 -11.732 5.542
270 HD2 PRO 40 2HD PRO 40 -2.642 -11.570 3.330
271 HD3 PRO 40 3HD PRO 40 -4.166 -10.685 3.505
272 H ASN 41 H ASN 41 -0.247 -10.107 4.240
273 HA ASN 41 HA ASN 41 1.105 -10.499 6.771
274 HB2 ASN 41 2HB ASN 41 1.921 -11.421 4.012
275 HB3 ASN 41 3HB ASN 41 2.584 -11.983 5.553
276 HD21 ASN 41 1HD2 ASN 41 -0.108 -12.097 3.389
277 HD22 ASN 41 2HD2 ASN 41 -0.942 -13.410 4.167
278 H ILE 42 H ILE 42 1.410 -8.305 4.103
279 HA ILE 42 HA ILE 42 4.232 -7.920 4.679
280 HB ILE 42 HB ILE 42 4.443 -6.553 2.806
281 HG12 ILE 42 2HG1 ILE 42 1.434 -6.304 2.727
282 HG13 ILE 42 3HG1 ILE 42 2.570 -5.046 3.246
283 HG21 ILE 42 1HG2 ILE 42 2.311 -8.576 2.106
284 HG22 ILE 42 2HG2 ILE 42 3.420 -7.805 0.973
285 HG23 ILE 42 3HG2 ILE 42 4.046 -8.888 2.217
286 HD11 ILE 42 3HD1 ILE 42 3.555 -5.018 1.004
287 HD12 ILE 42 1HD1 ILE 42 2.373 -6.217 0.485
288 HD13 ILE 42 2HD1 ILE 42 1.836 -4.617 0.995
289 H THR 43 H THR 43 5.130 -5.917 5.149
290 HA THR 43 HA THR 43 3.392 -4.099 6.673
291 HB THR 43 HB THR 43 5.451 -3.868 8.221
292 HG1 THR 43 1HG THR 43 7.039 -5.234 7.918
293 HG21 THR 43 3HG2 THR 43 3.844 -6.427 8.257
294 HG22 THR 43 1HG2 THR 43 3.333 -4.879 8.931
295 HG23 THR 43 2HG2 THR 43 4.709 -5.733 9.627
296 H ILE 44 H ILE 44 4.707 -1.976 7.144
297 HA ILE 44 HA ILE 44 5.475 -1.002 4.577
298 HB ILE 44 HB ILE 44 5.760 0.336 7.284
299 HG12 ILE 44 2HG1 ILE 44 3.856 1.770 6.222
300 HG13 ILE 44 3HG1 ILE 44 3.608 0.353 5.192
301 HG21 ILE 44 1HG2 ILE 44 7.334 1.255 5.666
302 HG22 ILE 44 2HG2 ILE 44 6.018 1.516 4.521
303 HG23 ILE 44 3HG2 ILE 44 6.059 2.415 6.039
304 HD11 ILE 44 3HD1 ILE 44 2.104 0.342 7.109
305 HD12 ILE 44 1HD1 ILE 44 3.208 -1.031 7.146
306 HD13 ILE 44 2HD1 ILE 44 3.489 0.356 8.198
307 H ALA 45 H ALA 45 7.350 -1.220 3.645
308 HA ALA 45 HA ALA 45 9.615 -2.266 5.099
309 HB1 ALA 45 1HB ALA 45 9.397 -1.480 2.194
310 HB2 ALA 45 2HB ALA 45 10.681 -2.440 2.925
311 HB3 ALA 45 3HB ALA 45 9.038 -3.078 2.844
312 H HIS 46 H HIS 46 8.844 0.667 3.286
313 HA HIS 46 HA HIS 46 10.353 2.311 5.013
314 HB2 HIS 46 2HB HIS 46 12.095 3.088 3.524
315 HB3 HIS 46 3HB HIS 46 12.244 1.339 3.728
316 HD1 HIS 46 1HD HIS 46 11.574 3.950 1.153
317 HD2 HIS 46 2HD HIS 46 11.688 -0.200 1.431
318 HE1 HIS 46 1HE HIS 46 11.562 3.109 -1.214
319 HE2 HIS 46 2HE HIS 46 11.898 0.621 -1.016
320 H MET 47 H MET 47 10.168 4.569 4.454
321 HA MET 47 HA MET 47 7.705 5.105 3.045
322 HB2 MET 47 2HB MET 47 9.685 6.975 4.377
323 HB3 MET 47 3HB MET 47 8.128 7.470 3.696
324 HG2 MET 47 2HG MET 47 6.989 5.949 5.294
325 HG3 MET 47 3HG MET 47 8.564 5.609 6.018
326 HE1 MET 47 3HE MET 47 6.476 9.723 6.099
327 HE2 MET 47 1HE MET 47 7.093 8.995 4.615
328 HE3 MET 47 2HE MET 47 5.741 8.251 5.470
329 H GLY 48 H GLY 48 7.490 5.903 1.058
330 HA2 GLY 48 2HA GLY 48 8.502 7.214 -0.794
331 HA3 GLY 48 3HA GLY 48 9.993 6.322 -0.456
332 H GLU 49 H GLU 49 8.854 6.365 -2.977
333 HA GLU 49 HA GLU 49 7.193 4.078 -3.404
334 HB2 GLU 49 2HB GLU 49 7.610 4.497 -5.817
335 HB3 GLU 49 3HB GLU 49 7.015 5.915 -4.943
336 HG2 GLU 49 2HG GLU 49 9.932 5.459 -5.566
337 HG3 GLU 49 3HG GLU 49 8.826 6.337 -6.633
338 HE2 GLU 49 HE GLU 49 8.882 9.151 -4.595
339 H CYS 50 H CYS 50 7.716 2.128 -4.417
340 HA CYS 50 HA CYS 50 10.516 1.313 -4.045
341 HB2 CYS 50 1HB CYS 50 7.994 0.181 -3.248
342 HB3 CYS 50 2HB CYS 50 8.874 -0.966 -4.264
Start of MODEL 3
1 H1 ALA 1 1H ALA 1 -12.623 -6.113 -2.202
2 H2 ALA 1 2H ALA 1 -12.006 -5.084 -3.393
3 H3 ALA 1 3H ALA 1 -11.042 -5.516 -2.071
4 HA ALA 1 HA ALA 1 -12.025 -7.340 -4.179
5 HB1 ALA 1 2HB ALA 1 -9.691 -7.482 -4.864
6 HB2 ALA 1 3HB ALA 1 -10.262 -5.817 -4.945
7 HB3 ALA 1 1HB ALA 1 -9.237 -6.334 -3.607
8 H GLU 2 H GLU 2 -10.593 -9.368 -4.086
9 HA GLU 2 HA GLU 2 -10.324 -10.246 -1.280
10 HB2 GLU 2 2HB GLU 2 -12.188 -11.361 -2.331
11 HB3 GLU 2 3HB GLU 2 -11.203 -11.772 -3.742
12 HG2 GLU 2 2HG GLU 2 -10.384 -12.806 -1.066
13 HG3 GLU 2 3HG GLU 2 -11.751 -13.552 -1.904
14 HE2 GLU 2 HE GLU 2 -9.512 -14.520 -4.559
15 H ASP 3 H ASP 3 -9.162 -10.822 -4.578
16 HA ASP 3 HA ASP 3 -6.454 -11.111 -3.468
17 HB2 ASP 3 2HB ASP 3 -7.065 -13.301 -4.236
18 HB3 ASP 3 3HB ASP 3 -7.718 -12.650 -5.745
19 HD2 ASP 3 HD ASP 3 -3.793 -13.138 -5.465
20 H CYS 4 H CYS 4 -5.325 -9.364 -4.026
21 HA CYS 4 HA CYS 4 -5.308 -8.579 -6.814
22 HB2 CYS 4 2HB CYS 4 -5.702 -6.240 -6.400
23 HB3 CYS 4 3HB CYS 4 -7.077 -7.180 -5.801
24 H VAL 5 H VAL 5 -3.248 -8.565 -7.370
25 HA VAL 5 HA VAL 5 -1.258 -7.776 -5.374
26 HB VAL 5 HB VAL 5 -0.793 -9.945 -6.292
27 HG11 VAL 5 1HG1 VAL 5 -0.928 -8.659 -9.014
28 HG12 VAL 5 2HG1 VAL 5 -0.446 -10.323 -8.685
29 HG13 VAL 5 3HG1 VAL 5 -2.092 -9.800 -8.340
30 HG21 VAL 5 3HG2 VAL 5 1.122 -8.487 -5.903
31 HG22 VAL 5 1HG2 VAL 5 1.419 -9.589 -7.248
32 HG23 VAL 5 2HG2 VAL 5 1.014 -7.902 -7.558
33 H GLY 6 H GLY 6 -0.479 -5.816 -5.484
34 HA2 GLY 6 2HA GLY 6 0.806 -4.391 -7.234
35 HA3 GLY 6 3HA GLY 6 -0.805 -4.282 -7.959
36 H ARG 7 H ARG 7 -1.721 -2.405 -7.503
37 HA ARG 7 HA ARG 7 -1.535 -1.442 -4.738
38 HB2 ARG 7 2HB ARG 7 -1.252 0.846 -5.477
39 HB3 ARG 7 3HB ARG 7 0.041 -0.160 -6.152
40 HG2 ARG 7 2HG ARG 7 -1.512 -0.323 -8.231
41 HG3 ARG 7 3HG ARG 7 -2.268 1.123 -7.538
42 HD2 ARG 7 2HD ARG 7 0.657 0.792 -8.247
43 HD3 ARG 7 3HD ARG 7 -0.545 1.726 -9.148
44 HE ARG 7 HE ARG 7 -0.672 2.956 -6.809
45 HH11 ARG 7 2HH1 ARG 7 2.136 1.790 -8.521
46 HH12 ARG 7 1HH1 ARG 7 3.171 3.085 -7.994
47 HH21 ARG 7 2HH2 ARG 7 0.678 4.681 -6.090
48 HH22 ARG 7 1HH2 ARG 7 2.341 4.736 -6.618
49 H LYS 8 H LYS 8 -3.400 -0.715 -3.896
50 HA LYS 8 HA LYS 8 -5.777 -0.706 -5.603
51 HB2 LYS 8 2HB LYS 8 -5.425 -1.856 -3.216
52 HB3 LYS 8 3HB LYS 8 -5.870 -0.242 -2.646
53 HG2 LYS 8 2HG LYS 8 -7.555 -1.851 -4.553
54 HG3 LYS 8 3HG LYS 8 -7.741 -1.896 -2.793
55 HD2 LYS 8 2HD LYS 8 -8.181 0.530 -2.786
56 HD3 LYS 8 3HD LYS 8 -8.036 0.540 -4.552
57 HE2 LYS 8 2HE LYS 8 -10.052 -1.075 -2.975
58 HE3 LYS 8 3HE LYS 8 -10.381 0.455 -3.804
59 HZ1 LYS 8 3HZ LYS 8 -9.325 -1.912 -5.245
60 HZ2 LYS 8 1HZ LYS 8 -10.057 -0.529 -5.893
61 HZ3 LYS 8 2HZ LYS 8 -10.985 -1.653 -5.030
62 H ALA 9 H ALA 9 -6.632 1.214 -6.249
63 HA ALA 9 HA ALA 9 -4.925 3.463 -5.830
64 HB1 ALA 9 1HB ALA 9 -7.531 3.344 -7.334
65 HB2 ALA 9 2HB ALA 9 -6.297 4.595 -7.463
66 HB3 ALA 9 3HB ALA 9 -5.947 2.953 -8.005
67 H CYS 10 H CYS 10 -4.991 4.729 -4.211
68 HA CYS 10 HA CYS 10 -7.531 5.945 -3.420
69 HB2 CYS 10 2HB CYS 10 -6.925 4.226 -1.730
70 HB3 CYS 10 3HB CYS 10 -5.362 5.025 -1.496
71 H THR 11 H THR 11 -7.266 8.187 -2.902
72 HA THR 11 HA THR 11 -4.582 9.295 -2.949
73 HB THR 11 HB THR 11 -6.575 10.178 -5.051
74 HG1 THR 11 1HG THR 11 -4.701 8.139 -5.028
75 HG21 THR 11 3HG2 THR 11 -4.682 11.397 -5.977
76 HG22 THR 11 1HG2 THR 11 -3.638 10.778 -4.700
77 HG23 THR 11 2HG2 THR 11 -4.954 11.879 -4.302
78 H ARG 12 H ARG 12 -5.757 9.478 -0.778
79 HA ARG 12 HA ARG 12 -7.396 11.912 -0.668
80 HB2 ARG 12 2HB ARG 12 -6.869 9.999 1.613
81 HB3 ARG 12 3HB ARG 12 -8.215 11.132 1.416
82 HG2 ARG 12 2HG ARG 12 -8.904 9.763 -0.612
83 HG3 ARG 12 3HG ARG 12 -7.738 8.551 -0.042
84 HD2 ARG 12 2HD ARG 12 -9.997 9.621 1.646
85 HD3 ARG 12 3HD ARG 12 -10.112 8.168 0.638
86 HE ARG 12 HE ARG 12 -8.190 7.321 2.037
87 HH11 ARG 12 2HH1 ARG 12 -10.473 9.682 3.225
88 HH12 ARG 12 1HH1 ARG 12 -10.374 9.147 4.880
89 HH21 ARG 12 2HH2 ARG 12 -8.079 6.572 4.210
90 HH22 ARG 12 1HH2 ARG 12 -9.030 7.352 5.435
91 H GLU 13 H GLU 13 -4.350 11.041 -0.653
92 HA GLU 13 HA GLU 13 -3.173 13.353 0.306
93 HB2 GLU 13 2HB GLU 13 -3.922 12.482 2.539
94 HB3 GLU 13 3HB GLU 13 -2.944 11.035 2.250
95 HG2 GLU 13 2HG GLU 13 -1.786 12.579 3.719
96 HG3 GLU 13 3HG GLU 13 -0.927 12.387 2.183
97 HE2 GLU 13 HE GLU 13 -2.356 15.935 3.117
98 H TRP 14 H TRP 14 -0.833 13.204 -0.055
99 HA TRP 14 HA TRP 14 -0.078 10.608 -1.234
100 HB2 TRP 14 2HB TRP 14 -0.206 12.449 -2.906
101 HB3 TRP 14 3HB TRP 14 1.028 13.322 -1.996
102 HD1 TRP 14 1HD TRP 14 3.541 12.585 -2.279
103 HE1 TRP 14 1HE TRP 14 4.735 10.941 -3.858
104 HE3 TRP 14 3HE TRP 14 -0.546 10.156 -4.145
105 HZ2 TRP 14 2HZ TRP 14 4.030 8.881 -5.660
106 HZ3 TRP 14 3HZ TRP 14 -0.203 8.361 -5.790
107 HH2 TRP 14 2HH TRP 14 2.039 7.739 -6.531
108 H TYR 15 H TYR 15 0.702 9.805 0.681
109 HA TYR 15 HA TYR 15 3.440 10.698 1.159
110 HB2 TYR 15 2HB TYR 15 1.523 9.396 3.123
111 HB3 TYR 15 3HB TYR 15 3.265 9.498 3.384
112 HD1 TYR 15 1HD TYR 15 4.111 12.098 2.792
113 HD2 TYR 15 2HD TYR 15 0.368 10.913 4.433
114 HE1 TYR 15 1HE TYR 15 3.875 14.311 3.835
115 HE2 TYR 15 2HE TYR 15 0.122 13.125 5.478
116 HH TYR 15 HH TYR 15 2.105 15.770 4.687
117 HA PRO 16 HA PRO 16 3.273 6.793 -0.953
118 HB2 PRO 16 2HB PRO 16 5.650 6.914 -2.216
119 HB3 PRO 16 3HB PRO 16 4.283 7.919 -2.696
120 HG2 PRO 16 2HG PRO 16 6.653 8.613 -1.001
121 HG3 PRO 16 3HG PRO 16 5.878 9.565 -2.318
122 HD2 PRO 16 2HD PRO 16 5.458 9.979 0.387
123 HD3 PRO 16 3HD PRO 16 4.312 10.421 -0.889
124 H VAL 17 H VAL 17 3.869 4.796 -0.340
125 HA VAL 17 HA VAL 17 6.251 4.482 1.333
126 HB VAL 17 HB VAL 17 5.080 3.059 2.930
127 HG11 VAL 17 1HG1 VAL 17 3.870 4.760 4.155
128 HG12 VAL 17 2HG1 VAL 17 5.329 5.439 3.431
129 HG13 VAL 17 3HG1 VAL 17 3.754 5.749 2.700
130 HG21 VAL 17 3HG2 VAL 17 2.569 3.843 1.457
131 HG22 VAL 17 1HG2 VAL 17 3.281 2.229 1.545
132 HG23 VAL 17 2HG2 VAL 17 2.623 2.982 2.997
133 H CYS 18 H CYS 18 6.552 2.038 1.774
134 HA CYS 18 HA CYS 18 5.885 0.595 -0.699
135 HB2 CYS 18 2HB CYS 18 8.233 1.277 -0.642
136 HB3 CYS 18 3HB CYS 18 8.441 0.435 0.905
137 H GLY 19 H GLY 19 4.957 -1.317 -0.468
138 HA2 GLY 19 2HA GLY 19 4.507 -2.403 2.195
139 HA3 GLY 19 3HA GLY 19 3.902 -3.059 0.665
140 H SER 20 H SER 20 5.258 -4.403 2.913
141 HA SER 20 HA SER 20 7.968 -4.811 2.504
142 HB2 SER 20 2HB SER 20 6.627 -5.403 4.545
143 HB3 SER 20 3HB SER 20 6.063 -6.840 3.676
144 HG SER 20 HG SER 20 8.135 -7.638 3.626
145 H ASP 21 H ASP 21 5.396 -6.029 0.599
146 HA ASP 21 HA ASP 21 6.786 -8.307 -0.451
147 HB2 ASP 21 2HB ASP 21 4.310 -8.053 -0.546
148 HB3 ASP 21 3HB ASP 21 4.521 -6.710 -1.679
149 HD2 ASP 21 HD ASP 21 4.787 -8.857 -4.332
150 H GLY 22 H GLY 22 7.284 -5.048 -0.675
151 HA2 GLY 22 2HA GLY 22 8.995 -3.977 -1.876
152 HA3 GLY 22 3HA GLY 22 8.981 -5.315 -3.033
153 H VAL 23 H VAL 23 6.026 -3.774 -1.976
154 HA VAL 23 HA VAL 23 5.648 -2.945 -4.777
155 HB VAL 23 HB VAL 23 4.088 -4.632 -4.142
156 HG11 VAL 23 1HG1 VAL 23 3.361 -2.902 -1.790
157 HG12 VAL 23 2HG1 VAL 23 2.571 -4.412 -2.244
158 HG13 VAL 23 3HG1 VAL 23 4.259 -4.418 -1.731
159 HG21 VAL 23 3HG2 VAL 23 2.724 -1.943 -4.100
160 HG22 VAL 23 1HG2 VAL 23 3.171 -2.868 -5.534
161 HG23 VAL 23 2HG2 VAL 23 1.936 -3.486 -4.435
162 H THR 24 H THR 24 4.955 -0.907 -5.290
163 HA THR 24 HA THR 24 5.426 1.125 -3.292
164 HB THR 24 HB THR 24 4.607 1.440 -6.185
165 HG1 THR 24 1HG THR 24 6.632 0.312 -5.844
166 HG21 THR 24 3HG2 THR 24 5.860 3.377 -4.236
167 HG22 THR 24 1HG2 THR 24 4.212 3.443 -4.861
168 HG23 THR 24 2HG2 THR 24 5.579 3.692 -5.948
169 H TYR 25 H TYR 25 3.901 2.003 -2.085
170 HA TYR 25 HA TYR 25 1.132 1.931 -3.052
171 HB2 TYR 25 2HB TYR 25 2.332 1.965 -0.286
172 HB3 TYR 25 3HB TYR 25 0.634 2.272 -0.591
173 HD1 TYR 25 2HD TYR 25 -0.255 0.414 -2.506
174 HD2 TYR 25 1HD TYR 25 2.636 -0.183 0.549
175 HE1 TYR 25 2HE TYR 25 -0.716 -1.996 -2.558
176 HE2 TYR 25 1HE TYR 25 2.188 -2.600 0.502
177 HH TYR 25 HH TYR 25 0.133 -4.108 -0.217
178 H SER 26 H SER 26 -0.040 3.758 -3.168
179 HA SER 26 HA SER 26 1.374 6.172 -3.581
180 HB2 SER 26 2HB SER 26 -1.603 5.603 -3.446
181 HB3 SER 26 3HB SER 26 -0.886 7.105 -4.049
182 HG SER 26 HG SER 26 -0.982 6.046 -5.888
183 H ASN 27 H ASN 27 -0.322 4.898 -0.831
184 HA ASN 27 HA ASN 27 0.643 6.877 0.907
185 HB2 ASN 27 2HB ASN 27 -1.522 7.930 1.575
186 HB3 ASN 27 3HB ASN 27 -1.007 8.367 -0.058
187 HD21 ASN 27 1HD2 ASN 27 -3.064 8.916 -0.709
188 HD22 ASN 27 2HD2 ASN 27 -4.302 7.732 -0.989
189 HA PRO 28 HA PRO 28 -0.418 3.955 4.106
190 HB2 PRO 28 2HB PRO 28 -2.284 5.952 5.360
191 HB3 PRO 28 3HB PRO 28 -0.992 4.993 6.082
192 HG2 PRO 28 2HG PRO 28 -0.656 7.576 5.539
193 HG3 PRO 28 3HG PRO 28 0.681 6.395 5.285
194 HD2 PRO 28 2HD PRO 28 -1.096 7.756 3.295
195 HD3 PRO 28 3HD PRO 28 0.612 7.300 3.167
196 H CYS 29 H CYS 29 -3.247 5.805 3.002
197 HA CYS 29 HA CYS 29 -5.262 3.984 3.532
198 HB2 CYS 29 2HB CYS 29 -5.758 6.210 2.846
199 HB3 CYS 29 3HB CYS 29 -4.901 5.999 1.311
200 H ASN 30 H ASN 30 -3.179 4.269 0.698
201 HA ASN 30 HA ASN 30 -4.242 2.196 -0.865
202 HB2 ASN 30 2HB ASN 30 -2.600 4.037 -1.510
203 HB3 ASN 30 3HB ASN 30 -1.341 3.053 -0.758
204 HD21 ASN 30 1HD2 ASN 30 -2.715 0.551 -1.768
205 HD22 ASN 30 2HD2 ASN 30 -2.262 0.493 -3.435
206 H PHE 31 H PHE 31 -1.569 2.207 1.469
207 HA PHE 31 HA PHE 31 -0.877 -0.509 1.214
208 HB2 PHE 31 1HB PHE 31 0.697 1.059 2.146
209 HB3 PHE 31 2HB PHE 31 -0.425 1.499 3.435
210 HD1 PHE 31 2HD PHE 31 -0.847 -0.024 5.311
211 HD2 PHE 31 1HD PHE 31 2.058 -0.934 2.330
212 HE1 PHE 31 2HE PHE 31 0.137 -1.722 6.790
213 HE2 PHE 31 1HE PHE 31 3.051 -2.620 3.813
214 HZ PHE 31 HZ PHE 31 2.088 -3.027 6.038
215 H SER 32 H SER 32 -2.963 1.212 3.513
216 HA SER 32 HA SER 32 -3.408 -0.980 5.224
217 HB2 SER 32 2HB SER 32 -3.814 1.559 5.606
218 HB3 SER 32 3HB SER 32 -5.393 1.254 4.861
219 HG SER 32 HG SER 32 -5.849 -0.240 6.493
220 H ALA 33 H ALA 33 -5.387 0.373 2.584
221 HA ALA 33 HA ALA 33 -7.498 -1.496 2.816
222 HB1 ALA 33 1HB ALA 33 -8.200 -0.681 0.637
223 HB2 ALA 33 2HB ALA 33 -7.699 0.664 1.662
224 HB3 ALA 33 3HB ALA 33 -6.624 0.077 0.393
225 H GLN 34 H GLN 34 -4.602 -1.407 0.781
226 HA GLN 34 HA GLN 34 -5.201 -3.679 -0.765
227 HB2 GLN 34 2HB GLN 34 -3.441 -1.945 -1.244
228 HB3 GLN 34 3HB GLN 34 -2.451 -2.695 0.017
229 HG2 GLN 34 2HG GLN 34 -1.655 -3.537 -2.027
230 HG3 GLN 34 3HG GLN 34 -2.597 -4.834 -1.283
231 HE21 GLN 34 1HE2 GLN 34 -1.941 -4.465 -4.073
232 HE22 GLN 34 2HE2 GLN 34 -3.447 -4.370 -4.915
233 H GLN 35 H GLN 35 -3.511 -3.268 2.281
234 HA GLN 35 HA GLN 35 -2.689 -5.995 2.425
235 HB2 GLN 35 2HB GLN 35 -2.354 -3.548 4.018
236 HB3 GLN 35 3HB GLN 35 -2.372 -5.051 4.954
237 HG2 GLN 35 2HG GLN 35 -0.111 -4.343 4.278
238 HG3 GLN 35 3HG GLN 35 -0.551 -5.938 3.683
239 HE21 GLN 35 1HE2 GLN 35 0.605 -2.954 2.900
240 HE22 GLN 35 2HE2 GLN 35 0.652 -3.161 1.190
241 H GLU 36 H GLU 36 -5.393 -4.145 3.753
242 HA GLU 36 HA GLU 36 -6.157 -6.157 5.591
243 HB2 GLU 36 2HB GLU 36 -8.237 -4.984 5.866
244 HB3 GLU 36 3HB GLU 36 -6.910 -3.815 5.786
245 HG2 GLU 36 2HG GLU 36 -7.480 -3.225 3.524
246 HG3 GLU 36 3HG GLU 36 -8.716 -4.492 3.478
247 HE2 GLU 36 HE GLU 36 -10.996 -2.535 5.183
248 H GLN 37 H GLN 37 -7.148 -5.529 2.207
249 HA GLN 37 HA GLN 37 -8.702 -8.013 2.443
250 HB2 GLN 37 2HB GLN 37 -9.846 -7.116 0.277
251 HB3 GLN 37 3HB GLN 37 -10.347 -6.564 1.877
252 HG2 GLN 37 2HG GLN 37 -10.271 -4.586 0.740
253 HG3 GLN 37 3HG GLN 37 -8.642 -4.636 1.430
254 HE21 GLN 37 1HE2 GLN 37 -6.893 -4.861 0.090
255 HE22 GLN 37 2HE2 GLN 37 -7.004 -4.757 -1.629
256 H CYS 38 H CYS 38 -5.759 -7.236 1.237
257 HA CYS 38 HA CYS 38 -6.100 -9.439 -0.665
258 HB2 CYS 38 2HB CYS 38 -4.721 -6.835 -1.238
259 HB3 CYS 38 3HB CYS 38 -4.376 -8.304 -2.168
260 H ASP 39 H ASP 39 -3.346 -7.522 0.710
261 HA ASP 39 HA ASP 39 -2.105 -10.159 1.211
262 HB2 ASP 39 2HB ASP 39 -0.966 -8.612 -0.503
263 HB3 ASP 39 3HB ASP 39 -0.510 -7.625 0.892
264 HD2 ASP 39 HD ASP 39 1.490 -10.383 2.113
265 HA PRO 40 HA PRO 40 -2.849 -8.407 5.346
266 HB2 PRO 40 2HB PRO 40 -2.759 -11.243 6.172
267 HB3 PRO 40 3HB PRO 40 -4.058 -10.063 6.327
268 HG2 PRO 40 2HG PRO 40 -4.165 -12.134 4.607
269 HG3 PRO 40 3HG PRO 40 -4.922 -10.540 4.239
270 HD2 PRO 40 2HD PRO 40 -2.308 -11.696 3.279
271 HD3 PRO 40 3HD PRO 40 -3.555 -10.822 2.372
272 H ASN 41 H ASN 41 -0.217 -10.095 4.030
273 HA ASN 41 HA ASN 41 0.933 -10.791 6.620
274 HB2 ASN 41 2HB ASN 41 1.736 -11.522 3.801
275 HB3 ASN 41 3HB ASN 41 2.576 -12.074 5.257
276 HD21 ASN 41 1HD2 ASN 41 1.030 -13.498 3.136
277 HD22 ASN 41 2HD2 ASN 41 -0.144 -14.440 4.001
278 H ILE 42 H ILE 42 1.402 -8.382 4.174
279 HA ILE 42 HA ILE 42 4.195 -8.057 4.929
280 HB ILE 42 HB ILE 42 4.459 -6.509 3.157
281 HG12 ILE 42 2HG1 ILE 42 1.466 -6.611 2.760
282 HG13 ILE 42 3HG1 ILE 42 2.353 -5.259 3.485
283 HG21 ILE 42 1HG2 ILE 42 2.647 -8.729 2.242
284 HG22 ILE 42 2HG2 ILE 42 3.744 -7.798 1.225
285 HG23 ILE 42 3HG2 ILE 42 4.392 -8.841 2.490
286 HD11 ILE 42 3HD1 ILE 42 3.575 -4.937 1.391
287 HD12 ILE 42 1HD1 ILE 42 2.652 -6.251 0.659
288 HD13 ILE 42 2HD1 ILE 42 1.831 -4.777 1.183
289 H THR 43 H THR 43 5.088 -6.009 5.429
290 HA THR 43 HA THR 43 3.304 -4.231 6.951
291 HB THR 43 HB THR 43 5.365 -3.797 8.381
292 HG1 THR 43 1HG THR 43 6.896 -5.587 8.322
293 HG21 THR 43 3HG2 THR 43 4.189 -6.577 8.421
294 HG22 THR 43 1HG2 THR 43 3.500 -5.150 9.195
295 HG23 THR 43 2HG2 THR 43 5.039 -5.802 9.759
296 H ILE 44 H ILE 44 4.376 -1.986 7.232
297 HA ILE 44 HA ILE 44 5.126 -0.956 4.700
298 HB ILE 44 HB ILE 44 5.541 0.300 7.423
299 HG12 ILE 44 2HG1 ILE 44 3.265 0.596 5.444
300 HG13 ILE 44 3HG1 ILE 44 3.181 -0.272 6.986
301 HG21 ILE 44 1HG2 ILE 44 5.511 1.520 4.662
302 HG22 ILE 44 2HG2 ILE 44 5.576 2.427 6.173
303 HG23 ILE 44 3HG2 ILE 44 6.909 1.359 5.727
304 HD11 ILE 44 3HD1 ILE 44 2.156 1.923 7.158
305 HD12 ILE 44 1HD1 ILE 44 3.572 1.799 8.200
306 HD13 ILE 44 2HD1 ILE 44 3.674 2.679 6.675
307 H ALA 45 H ALA 45 6.997 -1.158 3.719
308 HA ALA 45 HA ALA 45 9.293 -2.219 5.094
309 HB1 ALA 45 1HB ALA 45 8.703 -2.959 2.831
310 HB2 ALA 45 2HB ALA 45 9.000 -1.328 2.226
311 HB3 ALA 45 3HB ALA 45 10.329 -2.277 2.894
312 H HIS 46 H HIS 46 8.571 0.777 3.313
313 HA HIS 46 HA HIS 46 10.128 2.331 5.110
314 HB2 HIS 46 2HB HIS 46 11.881 3.086 3.650
315 HB3 HIS 46 3HB HIS 46 11.943 1.325 3.726
316 HD1 HIS 46 1HD HIS 46 11.208 4.142 1.379
317 HD2 HIS 46 2HD HIS 46 11.394 -0.012 1.325
318 HE1 HIS 46 1HE HIS 46 11.137 3.492 -1.046
319 HE2 HIS 46 2HE HIS 46 11.517 1.005 -1.051
320 H MET 47 H MET 47 10.101 4.601 4.606
321 HA MET 47 HA MET 47 7.723 5.465 3.251
322 HB2 MET 47 2HB MET 47 8.559 6.621 5.252
323 HB3 MET 47 3HB MET 47 10.049 7.036 4.390
324 HG2 MET 47 2HG MET 47 8.622 8.964 4.476
325 HG3 MET 47 3HG MET 47 8.749 8.385 2.813
326 HE1 MET 47 3HE MET 47 5.057 7.591 5.469
327 HE2 MET 47 1HE MET 47 6.573 6.705 5.632
328 HE3 MET 47 2HE MET 47 6.505 8.420 6.036
329 H GLY 48 H GLY 48 7.571 6.453 1.260
330 HA2 GLY 48 2HA GLY 48 8.578 7.500 -0.676
331 HA3 GLY 48 3HA GLY 48 10.053 6.582 -0.334
332 H GLU 49 H GLU 49 8.808 6.610 -2.840
333 HA GLU 49 HA GLU 49 7.124 4.320 -3.151
334 HB2 GLU 49 2HB GLU 49 7.431 4.696 -5.585
335 HB3 GLU 49 3HB GLU 49 6.884 6.134 -4.713
336 HG2 GLU 49 2HG GLU 49 9.788 5.695 -5.349
337 HG3 GLU 49 3HG GLU 49 8.671 6.416 -6.518
338 HE2 GLU 49 HE GLU 49 9.871 8.598 -3.457
339 H CYS 50 H CYS 50 7.612 2.356 -4.164
340 HA CYS 50 HA CYS 50 10.394 1.537 -3.839
341 HB2 CYS 50 1HB CYS 50 7.833 0.311 -3.351
342 HB3 CYS 50 2HB CYS 50 8.815 -0.713 -4.407
Start of MODEL 4
1 H1 ALA 1 1H ALA 1 -10.520 -9.186 -0.136
2 H2 ALA 1 2H ALA 1 -11.189 -10.738 -0.040
3 H3 ALA 1 3H ALA 1 -12.000 -9.519 -0.893
4 HA ALA 1 HA ALA 1 -10.962 -10.977 -2.446
5 HB1 ALA 1 2HB ALA 1 -9.450 -8.370 -2.213
6 HB2 ALA 1 3HB ALA 1 -9.562 -9.377 -3.659
7 HB3 ALA 1 1HB ALA 1 -11.008 -8.598 -3.012
8 H GLU 2 H GLU 2 -9.996 -12.738 -1.324
9 HA GLU 2 HA GLU 2 -7.636 -12.641 0.138
10 HB2 GLU 2 2HB GLU 2 -7.436 -15.131 -0.609
11 HB3 GLU 2 3HB GLU 2 -8.771 -14.619 0.437
12 HG2 GLU 2 2HG GLU 2 -9.166 -14.672 -2.528
13 HG3 GLU 2 3HG GLU 2 -9.210 -16.180 -1.604
14 HE2 GLU 2 HE GLU 2 -12.303 -15.442 -0.270
15 H ASP 3 H ASP 3 -8.075 -12.692 -3.318
16 HA ASP 3 HA ASP 3 -5.152 -12.469 -3.519
17 HB2 ASP 3 2HB ASP 3 -5.772 -14.595 -4.518
18 HB3 ASP 3 3HB ASP 3 -6.984 -13.793 -5.524
19 HD2 ASP 3 HD ASP 3 -4.634 -12.874 -7.868
20 H CYS 4 H CYS 4 -4.863 -10.363 -3.755
21 HA CYS 4 HA CYS 4 -5.497 -9.385 -6.386
22 HB2 CYS 4 2HB CYS 4 -5.903 -7.062 -5.116
23 HB3 CYS 4 3HB CYS 4 -7.222 -8.166 -5.544
24 H VAL 5 H VAL 5 -3.574 -8.883 -7.196
25 HA VAL 5 HA VAL 5 -1.544 -7.869 -5.340
26 HB VAL 5 HB VAL 5 -0.958 -10.115 -5.907
27 HG11 VAL 5 1HG1 VAL 5 -0.582 -10.839 -8.234
28 HG12 VAL 5 2HG1 VAL 5 -2.267 -10.422 -7.925
29 HG13 VAL 5 3HG1 VAL 5 -1.225 -9.298 -8.799
30 HG21 VAL 5 3HG2 VAL 5 1.216 -9.781 -6.978
31 HG22 VAL 5 1HG2 VAL 5 0.701 -8.175 -7.492
32 HG23 VAL 5 2HG2 VAL 5 0.872 -8.538 -5.775
33 H GLY 6 H GLY 6 -0.665 -6.006 -5.820
34 HA2 GLY 6 2HA GLY 6 0.398 -4.808 -7.841
35 HA3 GLY 6 3HA GLY 6 -1.276 -4.799 -8.418
36 H ARG 7 H ARG 7 -1.736 -2.659 -8.313
37 HA ARG 7 HA ARG 7 -1.546 -1.447 -5.637
38 HB2 ARG 7 2HB ARG 7 0.108 -0.472 -7.194
39 HB3 ARG 7 3HB ARG 7 -1.211 -0.034 -8.293
40 HG2 ARG 7 2HG ARG 7 -2.162 1.440 -6.573
41 HG3 ARG 7 3HG ARG 7 -0.818 1.017 -5.497
42 HD2 ARG 7 2HD ARG 7 -0.421 3.168 -6.608
43 HD3 ARG 7 3HD ARG 7 0.775 1.954 -7.085
44 HE ARG 7 HE ARG 7 -1.508 2.174 -8.859
45 HH11 ARG 7 2HH1 ARG 7 1.728 3.335 -8.139
46 HH12 ARG 7 1HH1 ARG 7 2.066 3.801 -9.780
47 HH21 ARG 7 2HH2 ARG 7 -1.063 2.790 -11.013
48 HH22 ARG 7 1HH2 ARG 7 0.478 3.483 -11.412
49 H LYS 8 H LYS 8 -3.390 -0.712 -4.836
50 HA LYS 8 HA LYS 8 -5.696 -0.363 -6.601
51 HB2 LYS 8 2HB LYS 8 -5.412 -0.592 -3.602
52 HB3 LYS 8 3HB LYS 8 -6.916 -0.063 -4.366
53 HG2 LYS 8 2HG LYS 8 -5.558 -2.716 -4.845
54 HG3 LYS 8 3HG LYS 8 -6.946 -2.440 -3.777
55 HD2 LYS 8 2HD LYS 8 -8.222 -1.588 -5.752
56 HD3 LYS 8 3HD LYS 8 -6.855 -2.079 -6.768
57 HE2 LYS 8 2HE LYS 8 -7.108 -4.402 -6.001
58 HE3 LYS 8 3HE LYS 8 -8.477 -3.905 -4.994
59 HZ1 LYS 8 3HZ LYS 8 -8.334 -3.813 -7.961
60 HZ2 LYS 8 1HZ LYS 8 -9.621 -3.198 -7.044
61 HZ3 LYS 8 2HZ LYS 8 -9.281 -4.859 -7.021
62 H ALA 9 H ALA 9 -6.660 1.676 -6.843
63 HA ALA 9 HA ALA 9 -4.834 3.831 -6.132
64 HB1 ALA 9 1HB ALA 9 -7.226 3.868 -7.964
65 HB2 ALA 9 2HB ALA 9 -6.048 5.164 -7.756
66 HB3 ALA 9 3HB ALA 9 -5.550 3.624 -8.453
67 H CYS 10 H CYS 10 -5.134 4.892 -4.323
68 HA CYS 10 HA CYS 10 -7.780 6.056 -3.883
69 HB2 CYS 10 2HB CYS 10 -7.649 5.807 -1.500
70 HB3 CYS 10 3HB CYS 10 -7.397 4.202 -2.219
71 H THR 11 H THR 11 -7.644 8.225 -3.019
72 HA THR 11 HA THR 11 -4.972 9.358 -2.842
73 HB THR 11 HB THR 11 -6.944 10.390 -4.891
74 HG1 THR 11 1HG THR 11 -4.962 8.456 -5.012
75 HG21 THR 11 3HG2 THR 11 -5.501 12.122 -3.983
76 HG22 THR 11 1HG2 THR 11 -5.021 11.745 -5.638
77 HG23 THR 11 2HG2 THR 11 -4.078 11.124 -4.280
78 H ARG 12 H ARG 12 -5.584 9.792 -0.703
79 HA ARG 12 HA ARG 12 -7.477 12.031 -0.401
80 HB2 ARG 12 2HB ARG 12 -6.196 10.530 1.873
81 HB3 ARG 12 3HB ARG 12 -7.708 11.450 1.866
82 HG2 ARG 12 2HG ARG 12 -8.817 9.731 0.583
83 HG3 ARG 12 3HG ARG 12 -7.295 8.835 0.435
84 HD2 ARG 12 2HD ARG 12 -7.230 8.766 2.970
85 HD3 ARG 12 3HD ARG 12 -8.896 9.357 2.926
86 HE ARG 12 HE ARG 12 -8.717 7.093 1.273
87 HH11 ARG 12 2HH1 ARG 12 -8.498 7.960 4.654
88 HH12 ARG 12 1HH1 ARG 12 -9.033 6.409 5.223
89 HH21 ARG 12 2HH2 ARG 12 -9.451 5.067 2.001
90 HH22 ARG 12 1HH2 ARG 12 -9.586 4.755 3.705
91 H GLU 13 H GLU 13 -4.219 11.165 -0.512
92 HA GLU 13 HA GLU 13 -3.071 13.643 0.100
93 HB2 GLU 13 2HB GLU 13 -3.895 13.165 2.367
94 HB3 GLU 13 3HB GLU 13 -3.072 11.597 2.342
95 HG2 GLU 13 2HG GLU 13 -0.909 12.697 2.290
96 HG3 GLU 13 3HG GLU 13 -1.709 14.275 2.252
97 HE2 GLU 13 HE GLU 13 -1.704 14.281 5.670
98 H TRP 14 H TRP 14 -0.600 13.354 0.233
99 HA TRP 14 HA TRP 14 0.115 10.791 -1.029
100 HB2 TRP 14 2HB TRP 14 0.240 12.674 -2.607
101 HB3 TRP 14 3HB TRP 14 1.335 13.519 -1.512
102 HD1 TRP 14 1HD TRP 14 3.881 12.896 -1.586
103 HE1 TRP 14 1HE TRP 14 5.304 11.346 -3.072
104 HE3 TRP 14 3HE TRP 14 0.118 10.355 -3.920
105 HZ2 TRP 14 2HZ TRP 14 4.878 9.312 -4.979
106 HZ3 TRP 14 3HZ TRP 14 0.711 8.625 -5.563
107 HH2 TRP 14 2HH TRP 14 3.040 8.114 -6.082
108 H TYR 15 H TYR 15 0.708 9.809 0.904
109 HA TYR 15 HA TYR 15 3.402 10.614 1.680
110 HB2 TYR 15 2HB TYR 15 1.247 9.405 3.423
111 HB3 TYR 15 3HB TYR 15 2.958 9.206 3.804
112 HD1 TYR 15 2HD TYR 15 4.158 11.764 3.256
113 HD2 TYR 15 1HD TYR 15 0.345 10.919 4.938
114 HE1 TYR 15 2HE TYR 15 4.182 13.949 4.388
115 HE2 TYR 15 1HE TYR 15 0.358 13.100 6.073
116 HH TYR 15 HH TYR 15 2.541 15.561 5.301
117 HA PRO 16 HA PRO 16 3.456 6.810 -0.611
118 HB2 PRO 16 2HB PRO 16 5.901 7.067 -1.702
119 HB3 PRO 16 3HB PRO 16 4.538 8.063 -2.210
120 HG2 PRO 16 2HG PRO 16 6.785 8.717 -0.340
121 HG3 PRO 16 3HG PRO 16 6.047 9.728 -1.638
122 HD2 PRO 16 2HD PRO 16 5.473 9.936 1.069
123 HD3 PRO 16 3HD PRO 16 4.408 10.466 -0.243
124 H VAL 17 H VAL 17 4.091 4.783 -0.109
125 HA VAL 17 HA VAL 17 6.456 4.368 1.555
126 HB VAL 17 HB VAL 17 5.270 2.813 3.062
127 HG11 VAL 17 1HG1 VAL 17 4.127 4.470 4.453
128 HG12 VAL 17 2HG1 VAL 17 5.655 5.085 3.824
129 HG13 VAL 17 3HG1 VAL 17 4.133 5.605 3.102
130 HG21 VAL 17 3HG2 VAL 17 2.822 2.839 3.185
131 HG22 VAL 17 1HG2 VAL 17 2.772 3.869 1.752
132 HG23 VAL 17 2HG2 VAL 17 3.404 2.225 1.635
133 H CYS 18 H CYS 18 6.878 1.951 1.772
134 HA CYS 18 HA CYS 18 5.926 0.540 -0.633
135 HB2 CYS 18 2HB CYS 18 8.331 1.296 -0.699
136 HB3 CYS 18 3HB CYS 18 8.637 0.182 0.647
137 H GLY 19 H GLY 19 5.246 -1.541 -0.351
138 HA2 GLY 19 2HA GLY 19 5.057 -2.467 2.437
139 HA3 GLY 19 3HA GLY 19 4.151 -3.103 1.057
140 H SER 20 H SER 20 5.537 -4.708 2.956
141 HA SER 20 HA SER 20 8.157 -5.367 2.359
142 HB2 SER 20 2HB SER 20 5.981 -7.138 3.491
143 HB3 SER 20 3HB SER 20 7.714 -7.503 3.537
144 HG SER 20 HG SER 20 8.013 -5.569 4.742
145 H ASP 21 H ASP 21 5.418 -6.084 0.444
146 HA ASP 21 HA ASP 21 6.544 -8.368 -0.892
147 HB2 ASP 21 2HB ASP 21 4.115 -7.973 -0.877
148 HB3 ASP 21 3HB ASP 21 4.352 -6.454 -1.751
149 HD2 ASP 21 HD ASP 21 4.457 -8.073 -4.782
150 H GLY 22 H GLY 22 7.374 -5.199 -0.752
151 HA2 GLY 22 2HA GLY 22 8.916 -3.959 -1.964
152 HA3 GLY 22 3HA GLY 22 8.927 -5.234 -3.191
153 H VAL 23 H VAL 23 6.011 -3.778 -1.915
154 HA VAL 23 HA VAL 23 5.380 -3.036 -4.689
155 HB VAL 23 HB VAL 23 3.859 -4.650 -3.855
156 HG11 VAL 23 1HG1 VAL 23 3.435 -2.873 -1.462
157 HG12 VAL 23 2HG1 VAL 23 2.566 -4.368 -1.802
158 HG13 VAL 23 3HG1 VAL 23 4.299 -4.409 -1.483
159 HG21 VAL 23 3HG2 VAL 23 1.701 -3.470 -3.907
160 HG22 VAL 23 1HG2 VAL 23 2.552 -1.938 -3.715
161 HG23 VAL 23 2HG2 VAL 23 2.801 -2.909 -5.168
162 H THR 24 H THR 24 4.690 -1.057 -5.251
163 HA THR 24 HA THR 24 5.409 1.146 -3.573
164 HB THR 24 HB THR 24 3.943 1.407 -6.171
165 HG1 THR 24 1HG THR 24 6.711 1.051 -6.333
166 HG21 THR 24 3HG2 THR 24 6.306 2.876 -5.006
167 HG22 THR 24 1HG2 THR 24 4.628 3.423 -4.957
168 HG23 THR 24 2HG2 THR 24 5.465 3.275 -6.503
169 H TYR 25 H TYR 25 4.030 1.957 -2.091
170 HA TYR 25 HA TYR 25 1.174 1.942 -2.712
171 HB2 TYR 25 2HB TYR 25 2.728 2.094 -0.141
172 HB3 TYR 25 3HB TYR 25 1.022 2.485 -0.229
173 HD1 TYR 25 1HD TYR 25 -0.467 0.668 -1.481
174 HD2 TYR 25 2HD TYR 25 3.275 -0.095 0.384
175 HE1 TYR 25 1HE TYR 25 -1.051 -1.710 -1.297
176 HE2 TYR 25 2HE TYR 25 2.699 -2.473 0.572
177 HH TYR 25 HH TYR 25 0.091 -3.869 -1.077
178 H SER 26 H SER 26 0.095 3.739 -3.000
179 HA SER 26 HA SER 26 1.544 6.103 -3.612
180 HB2 SER 26 2HB SER 26 -0.390 5.408 -4.921
181 HB3 SER 26 3HB SER 26 -1.434 5.548 -3.497
182 HG SER 26 HG SER 26 -0.404 7.865 -3.602
183 H ASN 27 H ASN 27 -0.150 5.013 -0.794
184 HA ASN 27 HA ASN 27 0.607 7.073 0.896
185 HB2 ASN 27 2HB ASN 27 -1.482 8.359 1.155
186 HB3 ASN 27 3HB ASN 27 -0.809 8.546 -0.469
187 HD21 ASN 27 1HD2 ASN 27 -3.503 8.973 0.436
188 HD22 ASN 27 2HD2 ASN 27 -4.511 7.907 -0.487
189 HA PRO 28 HA PRO 28 -0.874 4.639 4.217
190 HB2 PRO 28 2HB PRO 28 -3.113 6.563 4.820
191 HB3 PRO 28 3HB PRO 28 -1.939 5.812 5.899
192 HG2 PRO 28 2HG PRO 28 -1.656 8.325 5.075
193 HG3 PRO 28 3HG PRO 28 -0.227 7.240 5.253
194 HD2 PRO 28 2HD PRO 28 -1.603 8.230 2.797
195 HD3 PRO 28 3HD PRO 28 0.100 7.820 3.059
196 H CYS 29 H CYS 29 -3.850 5.936 2.635
197 HA CYS 29 HA CYS 29 -5.485 3.800 3.424
198 HB2 CYS 29 2HB CYS 29 -6.962 4.450 1.507
199 HB3 CYS 29 3HB CYS 29 -6.576 5.750 2.648
200 H ASN 30 H ASN 30 -3.391 4.199 0.680
201 HA ASN 30 HA ASN 30 -4.306 2.022 -0.821
202 HB2 ASN 30 2HB ASN 30 -2.916 3.857 -1.709
203 HB3 ASN 30 3HB ASN 30 -1.548 3.266 -0.760
204 HD21 ASN 30 1HD2 ASN 30 -3.697 1.001 -2.267
205 HD22 ASN 30 2HD2 ASN 30 -2.638 0.541 -3.531
206 H PHE 31 H PHE 31 -1.656 2.279 1.528
207 HA PHE 31 HA PHE 31 -0.805 -0.414 1.360
208 HB2 PHE 31 1HB PHE 31 0.579 1.385 2.297
209 HB3 PHE 31 2HB PHE 31 -0.570 1.602 3.618
210 HD1 PHE 31 1HD PHE 31 -0.660 0.028 5.480
211 HD2 PHE 31 2HD PHE 31 2.169 -0.491 2.332
212 HE1 PHE 31 1HE PHE 31 0.634 -1.520 6.884
213 HE2 PHE 31 2HE PHE 31 3.452 -2.026 3.738
214 HZ PHE 31 HZ PHE 31 2.687 -2.557 6.005
215 H SER 32 H SER 32 -3.019 1.283 3.544
216 HA SER 32 HA SER 32 -3.557 -0.885 5.251
217 HB2 SER 32 2HB SER 32 -3.952 1.473 5.844
218 HB3 SER 32 3HB SER 32 -5.259 1.547 4.650
219 HG SER 32 HG SER 32 -5.591 -0.542 6.374
220 H ALA 33 H ALA 33 -5.459 0.395 2.496
221 HA ALA 33 HA ALA 33 -7.571 -1.473 2.853
222 HB1 ALA 33 1HB ALA 33 -6.876 0.128 0.397
223 HB2 ALA 33 2HB ALA 33 -8.422 -0.649 0.739
224 HB3 ALA 33 3HB ALA 33 -7.870 0.697 1.737
225 H GLN 34 H GLN 34 -4.763 -1.359 0.684
226 HA GLN 34 HA GLN 34 -5.540 -3.543 -0.913
227 HB2 GLN 34 2HB GLN 34 -3.799 -1.968 -1.610
228 HB3 GLN 34 3HB GLN 34 -2.759 -2.523 -0.292
229 HG2 GLN 34 2HG GLN 34 -1.991 -3.559 -2.284
230 HG3 GLN 34 3HG GLN 34 -2.797 -4.795 -1.305
231 HE21 GLN 34 1HE2 GLN 34 -2.297 -4.786 -4.146
232 HE22 GLN 34 2HE2 GLN 34 -3.841 -4.947 -4.903
233 H GLN 35 H GLN 35 -3.618 -3.325 2.044
234 HA GLN 35 HA GLN 35 -3.036 -6.115 1.962
235 HB2 GLN 35 2HB GLN 35 -2.502 -3.911 3.908
236 HB3 GLN 35 3HB GLN 35 -2.100 -5.595 4.264
237 HG2 GLN 35 2HG GLN 35 -0.622 -5.769 2.458
238 HG3 GLN 35 3HG GLN 35 -1.243 -4.286 1.719
239 HE21 GLN 35 1HE2 GLN 35 0.828 -3.513 1.551
240 HE22 GLN 35 2HE2 GLN 35 1.652 -2.889 2.935
241 H GLU 36 H GLU 36 -5.412 -4.131 3.673
242 HA GLU 36 HA GLU 36 -6.184 -6.133 5.482
243 HB2 GLU 36 2HB GLU 36 -8.212 -4.896 5.861
244 HB3 GLU 36 3HB GLU 36 -6.846 -3.779 5.735
245 HG2 GLU 36 2HG GLU 36 -7.497 -3.267 3.416
246 HG3 GLU 36 3HG GLU 36 -8.899 -4.327 3.608
247 HE2 GLU 36 HE GLU 36 -10.689 -1.805 5.072
248 H GLN 37 H GLN 37 -7.022 -5.634 2.077
249 HA GLN 37 HA GLN 37 -8.805 -7.967 2.301
250 HB2 GLN 37 2HB GLN 37 -9.369 -7.517 -0.076
251 HB3 GLN 37 3HB GLN 37 -9.745 -6.178 1.014
252 HG2 GLN 37 2HG GLN 37 -7.492 -5.201 0.349
253 HG3 GLN 37 3HG GLN 37 -7.492 -6.406 -0.947
254 HE21 GLN 37 1HE2 GLN 37 -7.519 -3.539 -1.108
255 HE22 GLN 37 2HE2 GLN 37 -8.930 -3.102 -1.993
256 H CYS 38 H CYS 38 -5.718 -7.053 0.819
257 HA CYS 38 HA CYS 38 -5.742 -9.548 -0.700
258 HB2 CYS 38 2HB CYS 38 -3.683 -7.357 -0.860
259 HB3 CYS 38 3HB CYS 38 -3.990 -8.645 -2.038
260 H ASP 39 H ASP 39 -2.994 -7.818 0.792
261 HA ASP 39 HA ASP 39 -2.179 -10.414 1.929
262 HB2 ASP 39 2HB ASP 39 -0.869 -9.533 -0.152
263 HB3 ASP 39 3HB ASP 39 -0.141 -8.406 1.014
264 HD2 ASP 39 HD ASP 39 1.281 -11.203 2.774
265 HA PRO 40 HA PRO 40 -2.404 -7.463 5.417
266 HB2 PRO 40 2HB PRO 40 -2.870 -9.946 6.956
267 HB3 PRO 40 3HB PRO 40 -3.860 -8.495 6.824
268 HG2 PRO 40 2HG PRO 40 -4.540 -10.849 5.697
269 HG3 PRO 40 3HG PRO 40 -4.970 -9.262 4.954
270 HD2 PRO 40 2HD PRO 40 -2.779 -11.197 4.243
271 HD3 PRO 40 3HD PRO 40 -3.849 -10.261 3.184
272 H ASN 41 H ASN 41 -0.303 -9.976 4.574
273 HA ASN 41 HA ASN 41 0.913 -10.346 7.159
274 HB2 ASN 41 2HB ASN 41 1.925 -11.363 4.498
275 HB3 ASN 41 3HB ASN 41 2.294 -11.996 6.108
276 HD21 ASN 41 1HD2 ASN 41 0.036 -11.918 3.521
277 HD22 ASN 41 2HD2 ASN 41 -1.042 -13.127 4.144
278 H ILE 42 H ILE 42 1.518 -8.238 4.468
279 HA ILE 42 HA ILE 42 4.340 -8.038 5.117
280 HB ILE 42 HB ILE 42 4.652 -6.623 3.276
281 HG12 ILE 42 2HG1 ILE 42 1.659 -6.268 3.134
282 HG13 ILE 42 3HG1 ILE 42 2.833 -5.045 3.648
283 HG21 ILE 42 1HG2 ILE 42 4.230 -8.894 2.612
284 HG22 ILE 42 2HG2 ILE 42 2.496 -8.578 2.551
285 HG23 ILE 42 3HG2 ILE 42 3.576 -7.775 1.413
286 HD11 ILE 42 3HD1 ILE 42 2.605 -6.248 0.898
287 HD12 ILE 42 1HD1 ILE 42 2.179 -4.604 1.380
288 HD13 ILE 42 2HD1 ILE 42 3.865 -5.123 1.413
289 H THR 43 H THR 43 5.355 -5.965 5.446
290 HA THR 43 HA THR 43 3.724 -4.132 7.085
291 HB THR 43 HB THR 43 6.631 -4.559 7.663
292 HG1 THR 43 1HG THR 43 4.497 -6.279 8.505
293 HG21 THR 43 3HG2 THR 43 5.816 -4.164 9.996
294 HG22 THR 43 1HG2 THR 43 4.202 -3.910 9.336
295 HG23 THR 43 2HG2 THR 43 5.519 -2.818 8.899
296 H ILE 44 H ILE 44 4.938 -1.914 7.247
297 HA ILE 44 HA ILE 44 5.561 -1.020 4.634
298 HB ILE 44 HB ILE 44 6.187 0.326 7.275
299 HG12 ILE 44 2HG1 ILE 44 3.848 0.664 5.379
300 HG13 ILE 44 3HG1 ILE 44 3.786 -0.108 6.972
301 HG21 ILE 44 1HG2 ILE 44 6.106 1.444 4.475
302 HG22 ILE 44 2HG2 ILE 44 6.297 2.397 5.947
303 HG23 ILE 44 3HG2 ILE 44 7.540 1.234 5.481
304 HD11 ILE 44 3HD1 ILE 44 2.902 2.165 7.031
305 HD12 ILE 44 1HD1 ILE 44 4.330 1.991 8.051
306 HD13 ILE 44 2HD1 ILE 44 4.458 2.783 6.478
307 H ALA 45 H ALA 45 7.343 -1.394 3.548
308 HA ALA 45 HA ALA 45 9.657 -2.570 4.770
309 HB1 ALA 45 1HB ALA 45 8.922 -3.227 2.527
310 HB2 ALA 45 2HB ALA 45 9.242 -1.595 1.942
311 HB3 ALA 45 3HB ALA 45 10.572 -2.606 2.500
312 H HIS 46 H HIS 46 8.901 0.512 3.230
313 HA HIS 46 HA HIS 46 10.605 1.943 4.969
314 HB2 HIS 46 2HB HIS 46 12.266 2.781 3.463
315 HB3 HIS 46 3HB HIS 46 12.310 1.017 3.371
316 HD1 HIS 46 1HD HIS 46 11.335 4.038 1.363
317 HD2 HIS 46 2HD HIS 46 11.708 -0.077 0.890
318 HE1 HIS 46 1HE HIS 46 11.095 3.612 -1.103
319 HE2 HIS 46 2HE HIS 46 11.593 1.158 -1.382
320 H MET 47 H MET 47 10.289 4.181 4.817
321 HA MET 47 HA MET 47 7.841 4.986 3.563
322 HB2 MET 47 2HB MET 47 8.949 5.875 5.747
323 HB3 MET 47 3HB MET 47 9.917 6.878 4.658
324 HG2 MET 47 2HG MET 47 6.901 6.879 4.650
325 HG3 MET 47 3HG MET 47 7.873 7.961 5.650
326 HE1 MET 47 3HE MET 47 6.404 10.203 2.732
327 HE2 MET 47 1HE MET 47 5.633 8.771 3.416
328 HE3 MET 47 2HE MET 47 6.428 9.936 4.475
329 H GLY 48 H GLY 48 7.601 6.272 1.739
330 HA2 GLY 48 2HA GLY 48 8.538 7.455 -0.158
331 HA3 GLY 48 3HA GLY 48 10.024 6.516 0.069
332 H GLU 49 H GLU 49 8.228 6.770 -2.295
333 HA GLU 49 HA GLU 49 6.752 4.316 -2.448
334 HB2 GLU 49 2HB GLU 49 6.359 4.918 -4.798
335 HB3 GLU 49 3HB GLU 49 5.977 6.250 -3.700
336 HG2 GLU 49 2HG GLU 49 8.655 6.097 -5.044
337 HG3 GLU 49 3HG GLU 49 7.243 6.742 -5.893
338 HE2 GLU 49 HE GLU 49 7.413 9.725 -4.200
339 H CYS 50 H CYS 50 7.254 2.457 -3.551
340 HA CYS 50 HA CYS 50 10.025 2.001 -4.161
341 HB2 CYS 50 1HB CYS 50 7.610 0.339 -3.827
342 HB3 CYS 50 2HB CYS 50 8.830 -0.286 -4.945
Start of MODEL 5
1 H1 ALA 1 1H ALA 1 -13.033 -7.980 -2.864
2 H2 ALA 1 2H ALA 1 -12.119 -7.617 -1.483
3 H3 ALA 1 3H ALA 1 -13.033 -9.039 -1.538
4 HA ALA 1 HA ALA 1 -11.663 -9.871 -3.345
5 HB1 ALA 1 2HB ALA 1 -9.621 -8.714 -3.952
6 HB2 ALA 1 3HB ALA 1 -11.008 -7.663 -4.232
7 HB3 ALA 1 1HB ALA 1 -9.984 -7.416 -2.815
8 H GLU 2 H GLU 2 -10.555 -11.525 -2.508
9 HA GLU 2 HA GLU 2 -9.349 -11.179 0.157
10 HB2 GLU 2 2HB GLU 2 -10.076 -13.717 -1.335
11 HB3 GLU 2 3HB GLU 2 -9.447 -13.631 0.317
12 HG2 GLU 2 2HG GLU 2 -12.084 -12.495 -0.616
13 HG3 GLU 2 3HG GLU 2 -11.863 -14.013 0.265
14 HE2 GLU 2 HE GLU 2 -12.042 -10.703 2.311
15 H ASP 3 H ASP 3 -8.717 -12.303 -3.111
16 HA ASP 3 HA ASP 3 -5.844 -12.142 -2.494
17 HB2 ASP 3 2HB ASP 3 -6.573 -14.489 -2.901
18 HB3 ASP 3 3HB ASP 3 -7.154 -13.999 -4.498
19 HD2 ASP 3 HD ASP 3 -3.322 -14.688 -4.026
20 H CYS 4 H CYS 4 -5.073 -10.380 -3.420
21 HA CYS 4 HA CYS 4 -5.595 -9.858 -6.217
22 HB2 CYS 4 2HB CYS 4 -5.938 -7.340 -5.329
23 HB3 CYS 4 3HB CYS 4 -7.280 -8.453 -5.650
24 H VAL 5 H VAL 5 -3.602 -9.580 -7.040
25 HA VAL 5 HA VAL 5 -1.590 -8.276 -5.349
26 HB VAL 5 HB VAL 5 -1.228 -10.096 -7.739
27 HG11 VAL 5 1HG1 VAL 5 0.817 -8.720 -6.013
28 HG12 VAL 5 2HG1 VAL 5 1.171 -9.961 -7.216
29 HG13 VAL 5 3HG1 VAL 5 0.494 -8.413 -7.718
30 HG21 VAL 5 3HG2 VAL 5 -1.901 -11.291 -5.736
31 HG22 VAL 5 1HG2 VAL 5 -0.206 -11.621 -6.103
32 HG23 VAL 5 2HG2 VAL 5 -0.626 -10.495 -4.811
33 H GLY 6 H GLY 6 -1.007 -6.304 -5.831
34 HA2 GLY 6 2HA GLY 6 -0.102 -5.134 -8.008
35 HA3 GLY 6 3HA GLY 6 -1.832 -5.147 -8.375
36 H ARG 7 H ARG 7 -2.335 -3.041 -8.217
37 HA ARG 7 HA ARG 7 -1.899 -1.805 -5.587
38 HB2 ARG 7 2HB ARG 7 -0.326 -0.744 -6.993
39 HB3 ARG 7 3HB ARG 7 -1.481 -0.635 -8.330
40 HG2 ARG 7 2HG ARG 7 -2.753 1.059 -7.165
41 HG3 ARG 7 3HG ARG 7 -1.698 0.899 -5.750
42 HD2 ARG 7 2HD ARG 7 -1.248 2.848 -7.380
43 HD3 ARG 7 3HD ARG 7 0.123 1.872 -6.835
44 HE ARG 7 HE ARG 7 -0.843 0.741 -9.202
45 HH11 ARG 7 2HH1 ARG 7 0.629 3.760 -8.199
46 HH12 ARG 7 1HH1 ARG 7 1.523 3.952 -9.678
47 HH21 ARG 7 2HH2 ARG 7 0.329 0.991 -11.137
48 HH22 ARG 7 1HH2 ARG 7 1.354 2.386 -11.353
49 H LYS 8 H LYS 8 -3.666 -1.006 -4.667
50 HA LYS 8 HA LYS 8 -6.110 -0.703 -6.250
51 HB2 LYS 8 2HB LYS 8 -5.500 -1.269 -3.423
52 HB3 LYS 8 3HB LYS 8 -6.783 -0.068 -3.656
53 HG2 LYS 8 2HG LYS 8 -6.749 -2.854 -4.816
54 HG3 LYS 8 3HG LYS 8 -7.706 -2.301 -3.429
55 HD2 LYS 8 2HD LYS 8 -8.765 -0.594 -4.936
56 HD3 LYS 8 3HD LYS 8 -7.936 -1.381 -6.288
57 HE2 LYS 8 2HE LYS 8 -9.089 -3.495 -5.768
58 HE3 LYS 8 3HE LYS 8 -9.920 -2.689 -4.429
59 HZ1 LYS 8 3HZ LYS 8 -10.229 -2.180 -7.332
60 HZ2 LYS 8 1HZ LYS 8 -10.789 -1.087 -6.159
61 HZ3 LYS 8 2HZ LYS 8 -11.418 -2.658 -6.215
62 H ALA 9 H ALA 9 -6.930 1.299 -6.704
63 HA ALA 9 HA ALA 9 -5.078 3.450 -6.342
64 HB1 ALA 9 1HB ALA 9 -6.637 4.745 -7.710
65 HB2 ALA 9 2HB ALA 9 -6.292 3.176 -8.436
66 HB3 ALA 9 3HB ALA 9 -7.820 3.443 -7.600
67 H CYS 10 H CYS 10 -4.948 4.478 -4.511
68 HA CYS 10 HA CYS 10 -7.339 5.895 -3.625
69 HB2 CYS 10 2HB CYS 10 -6.909 4.017 -2.026
70 HB3 CYS 10 3HB CYS 10 -5.301 4.695 -1.718
71 H THR 11 H THR 11 -6.790 8.037 -2.872
72 HA THR 11 HA THR 11 -4.121 8.997 -2.964
73 HB THR 11 HB THR 11 -4.967 10.465 -5.137
74 HG1 THR 11 1HG THR 11 -6.585 9.196 -5.853
75 HG21 THR 11 3HG2 THR 11 -3.256 7.977 -5.142
76 HG22 THR 11 1HG2 THR 11 -2.710 9.616 -4.781
77 HG23 THR 11 2HG2 THR 11 -3.278 9.212 -6.403
78 H ARG 12 H ARG 12 -5.833 9.405 -1.069
79 HA ARG 12 HA ARG 12 -7.257 11.880 -1.398
80 HB2 ARG 12 2HB ARG 12 -7.725 11.708 0.979
81 HB3 ARG 12 3HB ARG 12 -7.998 10.138 0.206
82 HG2 ARG 12 2HG ARG 12 -5.814 9.357 0.989
83 HG3 ARG 12 3HG ARG 12 -5.558 10.923 1.779
84 HD2 ARG 12 2HD ARG 12 -7.666 10.502 3.093
85 HD3 ARG 12 3HD ARG 12 -7.658 8.866 2.422
86 HE ARG 12 HE ARG 12 -5.151 9.264 3.512
87 HH11 ARG 12 2HH1 ARG 12 -8.465 9.110 4.633
88 HH12 ARG 12 1HH1 ARG 12 -8.031 8.665 6.256
89 HH21 ARG 12 2HH2 ARG 12 -4.579 8.703 5.656
90 HH22 ARG 12 1HH2 ARG 12 -5.826 8.449 6.838
91 H GLU 13 H GLU 13 -4.128 10.820 -0.628
92 HA GLU 13 HA GLU 13 -3.024 13.443 -0.475
93 HB2 GLU 13 2HB GLU 13 -3.896 13.184 1.836
94 HB3 GLU 13 3HB GLU 13 -2.970 11.683 1.998
95 HG2 GLU 13 2HG GLU 13 -1.866 13.524 3.132
96 HG3 GLU 13 3HG GLU 13 -0.891 12.914 1.787
97 HE2 GLU 13 HE GLU 13 -1.145 15.892 0.051
98 H TRP 14 H TRP 14 -0.622 13.279 -0.472
99 HA TRP 14 HA TRP 14 0.217 10.563 -1.250
100 HB2 TRP 14 2HB TRP 14 0.347 12.246 -3.073
101 HB3 TRP 14 3HB TRP 14 1.471 13.187 -2.091
102 HD1 TRP 14 1HD TRP 14 3.998 12.492 -2.106
103 HE1 TRP 14 1HE TRP 14 5.349 10.687 -3.341
104 HE3 TRP 14 3HE TRP 14 0.129 9.717 -3.983
105 HZ2 TRP 14 2HZ TRP 14 4.850 8.394 -4.895
106 HZ3 TRP 14 3HZ TRP 14 0.658 7.729 -5.333
107 HH2 TRP 14 2HH TRP 14 2.971 7.084 -5.778
108 H TYR 15 H TYR 15 0.790 9.850 0.759
109 HA TYR 15 HA TYR 15 3.403 10.872 1.601
110 HB2 TYR 15 2HB TYR 15 1.389 9.375 3.327
111 HB3 TYR 15 3HB TYR 15 3.012 9.861 3.827
112 HD1 TYR 15 2HD TYR 15 3.303 12.601 3.076
113 HD2 TYR 15 1HD TYR 15 -0.180 10.610 4.493
114 HE1 TYR 15 2HE TYR 15 2.426 14.743 3.913
115 HE2 TYR 15 1HE TYR 15 -1.065 12.744 5.337
116 HH TYR 15 HH TYR 15 0.246 15.756 4.464
117 HA PRO 16 HA PRO 16 3.648 6.984 -0.507
118 HB2 PRO 16 2HB PRO 16 6.133 7.218 -1.518
119 HB3 PRO 16 3HB PRO 16 4.771 8.171 -2.107
120 HG2 PRO 16 2HG PRO 16 6.958 8.938 -0.214
121 HG3 PRO 16 3HG PRO 16 6.219 9.887 -1.557
122 HD2 PRO 16 2HD PRO 16 5.596 10.162 1.141
123 HD3 PRO 16 3HD PRO 16 4.552 10.648 -0.204
124 H VAL 17 H VAL 17 4.183 5.006 0.083
125 HA VAL 17 HA VAL 17 6.550 4.535 1.731
126 HB VAL 17 HB VAL 17 5.341 3.028 3.249
127 HG11 VAL 17 1HG1 VAL 17 5.708 5.309 3.991
128 HG12 VAL 17 2HG1 VAL 17 4.197 5.816 3.232
129 HG13 VAL 17 3HG1 VAL 17 4.166 4.702 4.597
130 HG21 VAL 17 3HG2 VAL 17 2.855 4.046 1.883
131 HG22 VAL 17 1HG2 VAL 17 3.485 2.398 1.837
132 HG23 VAL 17 2HG2 VAL 17 2.883 3.069 3.353
133 H CYS 18 H CYS 18 6.767 2.033 1.990
134 HA CYS 18 HA CYS 18 5.959 0.765 -0.537
135 HB2 CYS 18 2HB CYS 18 8.317 1.455 -0.591
136 HB3 CYS 18 3HB CYS 18 8.626 0.487 0.860
137 H GLY 19 H GLY 19 5.214 -1.285 -0.402
138 HA2 GLY 19 2HA GLY 19 4.951 -2.446 2.287
139 HA3 GLY 19 3HA GLY 19 4.132 -2.998 0.819
140 H SER 20 H SER 20 5.574 -4.630 2.728
141 HA SER 20 HA SER 20 8.216 -5.171 2.102
142 HB2 SER 20 2HB SER 20 6.180 -7.200 3.057
143 HB3 SER 20 3HB SER 20 7.938 -7.271 3.274
144 HG SER 20 HG SER 20 7.754 -6.037 4.955
145 H ASP 21 H ASP 21 5.465 -5.948 0.216
146 HA ASP 21 HA ASP 21 6.624 -8.128 -1.233
147 HB2 ASP 21 2HB ASP 21 4.178 -7.722 -1.124
148 HB3 ASP 21 3HB ASP 21 4.406 -6.224 -2.037
149 HD2 ASP 21 HD ASP 21 4.494 -7.898 -5.032
150 H GLY 22 H GLY 22 7.384 -4.926 -1.026
151 HA2 GLY 22 2HA GLY 22 9.000 -3.715 -2.191
152 HA3 GLY 22 3HA GLY 22 8.954 -4.936 -3.471
153 H VAL 23 H VAL 23 6.104 -3.449 -2.127
154 HA VAL 23 HA VAL 23 5.511 -2.473 -4.839
155 HB VAL 23 HB VAL 23 3.999 -4.194 -4.173
156 HG11 VAL 23 1HG1 VAL 23 3.478 -2.584 -1.684
157 HG12 VAL 23 2HG1 VAL 23 2.611 -4.046 -2.156
158 HG13 VAL 23 3HG1 VAL 23 4.333 -4.124 -1.781
159 HG21 VAL 23 3HG2 VAL 23 2.986 -2.350 -5.403
160 HG22 VAL 23 1HG2 VAL 23 1.834 -3.047 -4.261
161 HG23 VAL 23 2HG2 VAL 23 2.635 -1.518 -3.889
162 H THR 24 H THR 24 4.805 -0.418 -5.192
163 HA THR 24 HA THR 24 5.422 1.526 -3.149
164 HB THR 24 HB THR 24 4.381 1.960 -5.958
165 HG1 THR 24 1HG THR 24 6.480 2.042 -6.582
166 HG21 THR 24 3HG2 THR 24 5.787 3.833 -4.052
167 HG22 THR 24 1HG2 THR 24 4.080 3.895 -4.489
168 HG23 THR 24 2HG2 THR 24 5.314 4.209 -5.709
169 H TYR 25 H TYR 25 3.977 2.299 -1.775
170 HA TYR 25 HA TYR 25 1.157 2.242 -2.546
171 HB2 TYR 25 2HB TYR 25 2.570 2.055 0.099
172 HB3 TYR 25 3HB TYR 25 0.873 2.485 -0.004
173 HD1 TYR 25 2HD TYR 25 -0.401 0.887 -1.857
174 HD2 TYR 25 1HD TYR 25 2.896 -0.191 0.597
175 HE1 TYR 25 2HE TYR 25 -1.023 -1.472 -2.086
176 HE2 TYR 25 1HE TYR 25 2.289 -2.563 0.366
177 HH TYR 25 HH TYR 25 -0.199 -3.797 -0.216
178 H SER 26 H SER 26 -0.007 3.998 -2.591
179 HA SER 26 HA SER 26 1.283 6.462 -3.025
180 HB2 SER 26 2HB SER 26 -1.660 5.802 -2.715
181 HB3 SER 26 3HB SER 26 -1.014 7.298 -3.407
182 HG SER 26 HG SER 26 0.137 5.190 -4.604
183 H ASN 27 H ASN 27 -0.504 5.202 -0.278
184 HA ASN 27 HA ASN 27 0.649 6.902 1.592
185 HB2 ASN 27 2HB ASN 27 -1.002 8.523 2.118
186 HB3 ASN 27 3HB ASN 27 -0.849 8.586 0.356
187 HD21 ASN 27 1HD2 ASN 27 -2.573 8.030 -0.920
188 HD22 ASN 27 2HD2 ASN 27 -4.132 7.631 -0.288
189 HA PRO 28 HA PRO 28 -0.966 4.175 4.653
190 HB2 PRO 28 2HB PRO 28 -3.081 6.143 5.521
191 HB3 PRO 28 3HB PRO 28 -1.985 5.158 6.489
192 HG2 PRO 28 2HG PRO 28 -1.506 7.736 6.035
193 HG3 PRO 28 3HG PRO 28 -0.163 6.534 6.074
194 HD2 PRO 28 2HD PRO 28 -1.389 7.977 3.772
195 HD3 PRO 28 3HD PRO 28 0.257 7.360 3.981
196 H CYS 29 H CYS 29 -3.773 5.823 3.085
197 HA CYS 29 HA CYS 29 -5.613 3.774 3.660
198 HB2 CYS 29 2HB CYS 29 -7.037 4.712 1.917
199 HB3 CYS 29 3HB CYS 29 -6.349 5.996 2.927
200 H ASN 30 H ASN 30 -3.357 4.186 1.020
201 HA ASN 30 HA ASN 30 -4.392 2.161 -0.648
202 HB2 ASN 30 2HB ASN 30 -3.005 4.019 -1.462
203 HB3 ASN 30 3HB ASN 30 -1.634 3.403 -0.532
204 HD21 ASN 30 1HD2 ASN 30 -3.685 1.093 -2.112
205 HD22 ASN 30 2HD2 ASN 30 -2.598 0.735 -3.397
206 H PHE 31 H PHE 31 -1.695 2.246 1.669
207 HA PHE 31 HA PHE 31 -0.974 -0.472 1.412
208 HB2 PHE 31 1HB PHE 31 0.562 1.146 2.391
209 HB3 PHE 31 2HB PHE 31 -0.576 1.485 3.695
210 HD1 PHE 31 1HD PHE 31 1.893 -0.933 2.425
211 HD2 PHE 31 2HD PHE 31 -0.854 -0.029 5.559
212 HE1 PHE 31 1HE PHE 31 2.945 -2.635 3.842
213 HE2 PHE 31 2HE PHE 31 0.193 -1.749 6.968
214 HZ PHE 31 HZ PHE 31 2.095 -3.058 6.105
215 H SER 32 H SER 32 -3.123 1.250 3.659
216 HA SER 32 HA SER 32 -3.670 -0.957 5.316
217 HB2 SER 32 2HB SER 32 -4.074 1.366 5.999
218 HB3 SER 32 3HB SER 32 -5.355 1.503 4.784
219 HG SER 32 HG SER 32 -6.612 0.831 6.317
220 H ALA 33 H ALA 33 -5.536 0.411 2.591
221 HA ALA 33 HA ALA 33 -7.666 -1.443 2.848
222 HB1 ALA 33 1HB ALA 33 -6.877 0.209 0.458
223 HB2 ALA 33 2HB ALA 33 -8.429 -0.592 0.701
224 HB3 ALA 33 3HB ALA 33 -7.945 0.729 1.763
225 H GLN 34 H GLN 34 -4.830 -1.307 0.733
226 HA GLN 34 HA GLN 34 -5.550 -3.571 -0.799
227 HB2 GLN 34 2HB GLN 34 -3.932 -1.905 -1.585
228 HB3 GLN 34 3HB GLN 34 -2.814 -2.370 -0.298
229 HG2 GLN 34 2HG GLN 34 -2.033 -3.437 -2.252
230 HG3 GLN 34 3HG GLN 34 -2.830 -4.695 -1.296
231 HE21 GLN 34 1HE2 GLN 34 -2.362 -4.889 -4.067
232 HE22 GLN 34 2HE2 GLN 34 -3.893 -4.938 -4.856
233 H GLN 35 H GLN 35 -3.784 -3.167 2.203
234 HA GLN 35 HA GLN 35 -2.829 -5.862 2.253
235 HB2 GLN 35 2HB GLN 35 -2.654 -3.465 3.966
236 HB3 GLN 35 3HB GLN 35 -2.539 -5.015 4.805
237 HG2 GLN 35 2HG GLN 35 -0.350 -4.063 4.216
238 HG3 GLN 35 3HG GLN 35 -0.630 -5.654 3.507
239 HE21 GLN 35 1HE2 GLN 35 1.169 -3.512 2.831
240 HE22 GLN 35 2HE2 GLN 35 0.917 -3.200 1.154
241 H GLU 36 H GLU 36 -5.574 -4.134 3.654
242 HA GLU 36 HA GLU 36 -6.308 -6.284 5.375
243 HB2 GLU 36 2HB GLU 36 -8.398 -5.117 5.745
244 HB3 GLU 36 3HB GLU 36 -7.045 -3.980 5.819
245 HG2 GLU 36 2HG GLU 36 -7.552 -3.080 3.686
246 HG3 GLU 36 3HG GLU 36 -8.726 -4.362 3.366
247 HE2 GLU 36 HE GLU 36 -9.844 -1.515 5.902
248 H GLN 37 H GLN 37 -6.965 -5.535 2.014
249 HA GLN 37 HA GLN 37 -8.932 -7.707 1.987
250 HB2 GLN 37 2HB GLN 37 -9.501 -6.989 -0.278
251 HB3 GLN 37 3HB GLN 37 -9.648 -5.671 0.890
252 HG2 GLN 37 2HG GLN 37 -7.333 -4.934 0.145
253 HG3 GLN 37 3HG GLN 37 -7.527 -6.081 -1.190
254 HE21 GLN 37 1HE2 GLN 37 -8.612 -3.108 0.205
255 HE22 GLN 37 2HE2 GLN 37 -9.542 -2.562 -1.152
256 H CYS 38 H CYS 38 -5.724 -6.934 0.748
257 HA CYS 38 HA CYS 38 -5.851 -9.406 -0.826
258 HB2 CYS 38 2HB CYS 38 -3.781 -7.233 -1.044
259 HB3 CYS 38 3HB CYS 38 -4.084 -8.567 -2.175
260 H ASP 39 H ASP 39 -3.065 -7.704 0.652
261 HA ASP 39 HA ASP 39 -2.256 -10.344 1.705
262 HB2 ASP 39 2HB ASP 39 -0.877 -9.423 -0.227
263 HB3 ASP 39 3HB ASP 39 -0.335 -8.164 0.892
264 HD2 ASP 39 HD ASP 39 1.497 -11.553 1.024
265 HA PRO 40 HA PRO 40 -2.615 -7.847 5.463
266 HB2 PRO 40 2HB PRO 40 -2.767 -10.467 6.798
267 HB3 PRO 40 3HB PRO 40 -3.962 -9.173 6.717
268 HG2 PRO 40 2HG PRO 40 -4.218 -11.559 5.439
269 HG3 PRO 40 3HG PRO 40 -4.951 -10.029 4.829
270 HD2 PRO 40 2HD PRO 40 -2.471 -11.472 3.937
271 HD3 PRO 40 3HD PRO 40 -3.706 -10.642 2.974
272 H ASN 41 H ASN 41 -0.272 -10.056 4.368
273 HA ASN 41 HA ASN 41 0.944 -10.481 6.964
274 HB2 ASN 41 2HB ASN 41 1.587 -11.573 4.225
275 HB3 ASN 41 3HB ASN 41 2.483 -11.991 5.692
276 HD21 ASN 41 1HD2 ASN 41 1.516 -13.250 7.272
277 HD22 ASN 41 2HD2 ASN 41 0.069 -14.154 6.973
278 H ILE 42 H ILE 42 1.498 -8.396 4.246
279 HA ILE 42 HA ILE 42 4.305 -8.102 4.920
280 HB ILE 42 HB ILE 42 4.533 -6.556 3.133
281 HG12 ILE 42 2HG1 ILE 42 1.531 -6.615 2.819
282 HG13 ILE 42 3HG1 ILE 42 2.447 -5.286 3.550
283 HG21 ILE 42 1HG2 ILE 42 4.419 -8.878 2.475
284 HG22 ILE 42 2HG2 ILE 42 2.667 -8.758 2.303
285 HG23 ILE 42 3HG2 ILE 42 3.722 -7.838 1.230
286 HD11 ILE 42 3HD1 ILE 42 1.901 -4.756 1.268
287 HD12 ILE 42 1HD1 ILE 42 3.648 -4.953 1.447
288 HD13 ILE 42 2HD1 ILE 42 2.686 -6.236 0.707
289 H THR 43 H THR 43 5.208 -5.917 5.164
290 HA THR 43 HA THR 43 3.504 -4.140 6.761
291 HB THR 43 HB THR 43 5.708 -3.764 8.126
292 HG1 THR 43 1HG THR 43 6.078 -6.509 7.486
293 HG21 THR 43 3HG2 THR 43 5.024 -5.499 9.733
294 HG22 THR 43 1HG2 THR 43 3.997 -6.225 8.498
295 HG23 THR 43 2HG2 THR 43 3.641 -4.606 9.100
296 H ILE 44 H ILE 44 4.703 -1.946 7.056
297 HA ILE 44 HA ILE 44 5.486 -0.991 4.500
298 HB ILE 44 HB ILE 44 5.941 0.302 7.200
299 HG12 ILE 44 2HG1 ILE 44 3.682 0.637 5.207
300 HG13 ILE 44 3HG1 ILE 44 3.566 -0.184 6.773
301 HG21 ILE 44 1HG2 ILE 44 7.354 1.259 5.460
302 HG22 ILE 44 2HG2 ILE 44 5.946 1.491 4.424
303 HG23 ILE 44 3HG2 ILE 44 6.091 2.399 5.928
304 HD11 ILE 44 3HD1 ILE 44 2.620 2.060 6.875
305 HD12 ILE 44 1HD1 ILE 44 4.022 1.903 7.931
306 HD13 ILE 44 2HD1 ILE 44 4.173 2.739 6.385
307 H ALA 45 H ALA 45 7.343 -1.325 3.531
308 HA ALA 45 HA ALA 45 9.558 -2.518 4.926
309 HB1 ALA 45 1HB ALA 45 8.965 -3.247 2.672
310 HB2 ALA 45 2HB ALA 45 9.327 -1.637 2.050
311 HB3 ALA 45 3HB ALA 45 10.617 -2.631 2.723
312 H HIS 46 H HIS 46 8.925 0.545 3.295
313 HA HIS 46 HA HIS 46 10.649 1.954 5.052
314 HB2 HIS 46 2HB HIS 46 12.330 2.729 3.555
315 HB3 HIS 46 3HB HIS 46 12.300 0.970 3.410
316 HD1 HIS 46 1HD HIS 46 11.443 4.087 1.497
317 HD2 HIS 46 2HD HIS 46 11.611 -0.025 0.904
318 HE1 HIS 46 1HE HIS 46 11.175 3.747 -0.979
319 HE2 HIS 46 2HE HIS 46 11.548 1.286 -1.329
320 H MET 47 H MET 47 10.519 4.262 4.734
321 HA MET 47 HA MET 47 8.018 5.063 3.531
322 HB2 MET 47 2HB MET 47 9.051 5.956 5.717
323 HB3 MET 47 3HB MET 47 10.124 6.900 4.672
324 HG2 MET 47 2HG MET 47 7.129 7.054 4.440
325 HG3 MET 47 3HG MET 47 8.045 8.048 5.576
326 HE1 MET 47 3HE MET 47 6.974 10.476 2.655
327 HE2 MET 47 1HE MET 47 6.079 9.071 3.234
328 HE3 MET 47 2HE MET 47 6.859 10.154 4.386
329 H GLY 48 H GLY 48 7.781 6.297 1.695
330 HA2 GLY 48 2HA GLY 48 8.726 7.559 -0.151
331 HA3 GLY 48 3HA GLY 48 10.213 6.623 0.056
332 H GLU 49 H GLU 49 8.611 6.953 -2.343
333 HA GLU 49 HA GLU 49 7.018 4.665 -2.814
334 HB2 GLU 49 2HB GLU 49 7.170 5.269 -5.180
335 HB3 GLU 49 3HB GLU 49 6.837 6.686 -4.170
336 HG2 GLU 49 2HG GLU 49 9.213 7.315 -4.279
337 HG3 GLU 49 3HG GLU 49 9.505 5.932 -5.342
338 HE2 GLU 49 HE GLU 49 7.915 7.513 -8.033
339 H CYS 50 H CYS 50 7.458 2.764 -3.988
340 HA CYS 50 HA CYS 50 10.268 1.951 -3.936
341 HB2 CYS 50 1HB CYS 50 7.738 0.649 -3.397
342 HB3 CYS 50 2HB CYS 50 8.707 -0.276 -4.553
Start of MODEL 6
1 H1 ALA 1 1H ALA 1 -12.059 -8.595 -1.023
2 H2 ALA 1 2H ALA 1 -12.915 -9.987 -1.469
3 H3 ALA 1 3H ALA 1 -12.836 -8.664 -2.529
4 HA ALA 1 HA ALA 1 -11.368 -10.489 -3.192
5 HB1 ALA 1 2HB ALA 1 -9.920 -7.975 -2.349
6 HB2 ALA 1 3HB ALA 1 -9.406 -9.114 -3.599
7 HB3 ALA 1 1HB ALA 1 -10.874 -8.160 -3.820
8 H GLU 2 H GLU 2 -9.670 -11.851 -2.737
9 HA GLU 2 HA GLU 2 -8.399 -11.573 -0.095
10 HB2 GLU 2 2HB GLU 2 -9.943 -13.498 -0.078
11 HB3 GLU 2 3HB GLU 2 -9.096 -14.176 -1.478
12 HG2 GLU 2 2HG GLU 2 -7.025 -14.311 -0.143
13 HG3 GLU 2 3HG GLU 2 -7.930 -13.716 1.258
14 HE2 GLU 2 HE GLU 2 -8.250 -17.503 0.276
15 H ASP 3 H ASP 3 -8.151 -12.506 -3.457
16 HA ASP 3 HA ASP 3 -5.218 -12.339 -3.221
17 HB2 ASP 3 2HB ASP 3 -5.962 -14.565 -3.957
18 HB3 ASP 3 3HB ASP 3 -6.872 -13.826 -5.280
19 HD2 ASP 3 HD ASP 3 -3.001 -14.360 -5.729
20 H CYS 4 H CYS 4 -4.615 -10.400 -3.809
21 HA CYS 4 HA CYS 4 -5.216 -9.502 -6.469
22 HB2 CYS 4 2HB CYS 4 -5.633 -7.127 -5.374
23 HB3 CYS 4 3HB CYS 4 -6.959 -8.268 -5.656
24 H VAL 5 H VAL 5 -3.509 -8.429 -7.337
25 HA VAL 5 HA VAL 5 -1.339 -7.727 -5.477
26 HB VAL 5 HB VAL 5 -0.825 -9.912 -6.463
27 HG11 VAL 5 1HG1 VAL 5 -2.054 -9.743 -8.530
28 HG12 VAL 5 2HG1 VAL 5 -0.983 -8.455 -9.093
29 HG13 VAL 5 3HG1 VAL 5 -0.358 -10.092 -8.875
30 HG21 VAL 5 3HG2 VAL 5 1.399 -9.387 -7.334
31 HG22 VAL 5 1HG2 VAL 5 0.929 -7.698 -7.521
32 HG23 VAL 5 2HG2 VAL 5 1.015 -8.419 -5.913
33 H GLY 6 H GLY 6 -0.449 -5.786 -5.824
34 HA2 GLY 6 2HA GLY 6 0.570 -4.467 -7.747
35 HA3 GLY 6 3HA GLY 6 -1.090 -4.442 -8.357
36 H ARG 7 H ARG 7 -1.850 -2.473 -8.126
37 HA ARG 7 HA ARG 7 -1.469 -1.144 -5.529
38 HB2 ARG 7 2HB ARG 7 0.114 -0.168 -7.082
39 HB3 ARG 7 3HB ARG 7 -1.175 0.104 -8.263
40 HG2 ARG 7 2HG ARG 7 -2.232 1.732 -6.811
41 HG3 ARG 7 3HG ARG 7 -1.020 1.413 -5.558
42 HD2 ARG 7 2HD ARG 7 -0.593 3.481 -6.919
43 HD3 ARG 7 3HD ARG 7 0.733 2.309 -6.902
44 HE ARG 7 HE ARG 7 -1.063 1.963 -9.127
45 HH11 ARG 7 2HH1 ARG 7 1.692 3.811 -7.987
46 HH12 ARG 7 1HH1 ARG 7 2.350 4.031 -9.576
47 HH21 ARG 7 2HH2 ARG 7 -0.195 2.249 -11.194
48 HH22 ARG 7 1HH2 ARG 7 1.277 3.152 -11.409
49 H LYS 8 H LYS 8 -3.294 -0.545 -4.641
50 HA LYS 8 HA LYS 8 -5.689 -0.196 -6.284
51 HB2 LYS 8 2HB LYS 8 -5.146 -0.921 -3.469
52 HB3 LYS 8 3HB LYS 8 -6.546 0.129 -3.723
53 HG2 LYS 8 2HG LYS 8 -6.110 -2.497 -5.149
54 HG3 LYS 8 3HG LYS 8 -7.089 -2.289 -3.684
55 HD2 LYS 8 2HD LYS 8 -8.514 -0.664 -4.888
56 HD3 LYS 8 3HD LYS 8 -7.562 -0.963 -6.353
57 HE2 LYS 8 2HE LYS 8 -9.673 -2.246 -6.322
58 HE3 LYS 8 3HE LYS 8 -8.241 -3.282 -6.375
59 HZ1 LYS 8 3HZ LYS 8 -10.062 -3.942 -4.773
60 HZ2 LYS 8 1HZ LYS 8 -9.594 -2.613 -3.828
61 HZ3 LYS 8 2HZ LYS 8 -8.493 -3.867 -4.134
62 H ALA 9 H ALA 9 -6.690 1.784 -6.498
63 HA ALA 9 HA ALA 9 -4.915 3.999 -5.970
64 HB1 ALA 9 1HB ALA 9 -7.561 3.979 -7.406
65 HB2 ALA 9 2HB ALA 9 -6.374 5.283 -7.404
66 HB3 ALA 9 3HB ALA 9 -5.983 3.735 -8.157
67 H CYS 10 H CYS 10 -4.994 5.194 -4.243
68 HA CYS 10 HA CYS 10 -7.601 6.106 -3.262
69 HB2 CYS 10 2HB CYS 10 -6.690 4.377 -1.699
70 HB3 CYS 10 3HB CYS 10 -5.249 5.385 -1.479
71 H THR 11 H THR 11 -7.518 8.338 -2.535
72 HA THR 11 HA THR 11 -5.005 9.752 -2.881
73 HB THR 11 HB THR 11 -7.319 10.452 -4.700
74 HG1 THR 11 1HG THR 11 -5.195 8.655 -4.998
75 HG21 THR 11 3HG2 THR 11 -4.424 11.311 -4.703
76 HG22 THR 11 1HG2 THR 11 -5.771 12.283 -4.118
77 HG23 THR 11 2HG2 THR 11 -5.675 11.849 -5.827
78 H ARG 12 H ARG 12 -5.954 9.853 -0.534
79 HA ARG 12 HA ARG 12 -7.472 12.368 -0.365
80 HB2 ARG 12 2HB ARG 12 -7.909 11.791 1.994
81 HB3 ARG 12 3HB ARG 12 -8.548 10.582 0.868
82 HG2 ARG 12 2HG ARG 12 -6.769 9.055 1.374
83 HG3 ARG 12 3HG ARG 12 -5.944 10.288 2.348
84 HD2 ARG 12 2HD ARG 12 -7.666 10.289 3.993
85 HD3 ARG 12 3HD ARG 12 -8.718 9.310 2.960
86 HE ARG 12 HE ARG 12 -7.423 7.413 3.457
87 HH11 ARG 12 2HH1 ARG 12 -6.273 10.268 5.128
88 HH12 ARG 12 1HH1 ARG 12 -5.483 9.367 6.391
89 HH21 ARG 12 2HH2 ARG 12 -6.388 6.220 5.126
90 HH22 ARG 12 1HH2 ARG 12 -5.519 7.075 6.372
91 H GLU 13 H GLU 13 -4.470 11.203 -0.428
92 HA GLU 13 HA GLU 13 -3.093 13.479 0.245
93 HB2 GLU 13 2HB GLU 13 -3.880 12.967 2.585
94 HB3 GLU 13 3HB GLU 13 -2.951 11.458 2.497
95 HG2 GLU 13 2HG GLU 13 -1.803 13.321 3.701
96 HG3 GLU 13 3HG GLU 13 -0.894 12.621 2.351
97 HE2 GLU 13 HE GLU 13 -2.058 16.390 2.085
98 H TRP 14 H TRP 14 -0.806 13.158 -0.043
99 HA TRP 14 HA TRP 14 -0.197 10.506 -1.158
100 HB2 TRP 14 2HB TRP 14 -0.126 12.351 -2.808
101 HB3 TRP 14 3HB TRP 14 1.079 13.174 -1.817
102 HD1 TRP 14 1HD TRP 14 3.590 12.429 -2.044
103 HE1 TRP 14 1HE TRP 14 4.826 10.759 -3.575
104 HE3 TRP 14 3HE TRP 14 -0.451 10.010 -4.028
105 HZ2 TRP 14 2HZ TRP 14 4.166 8.699 -5.383
106 HZ3 TRP 14 3HZ TRP 14 -0.061 8.202 -5.650
107 HH2 TRP 14 2HH TRP 14 2.200 7.564 -6.313
108 H TYR 15 H TYR 15 0.538 9.544 0.694
109 HA TYR 15 HA TYR 15 3.215 10.434 1.473
110 HB2 TYR 15 2HB TYR 15 1.169 8.951 3.158
111 HB3 TYR 15 3HB TYR 15 2.883 9.054 3.572
112 HD1 TYR 15 1HD TYR 15 3.676 11.754 3.207
113 HD2 TYR 15 2HD TYR 15 -0.075 10.281 4.582
114 HE1 TYR 15 1HE TYR 15 3.303 13.855 4.430
115 HE2 TYR 15 2HE TYR 15 -0.459 12.382 5.802
116 HH TYR 15 HH TYR 15 1.313 15.167 5.276
117 HA PRO 16 HA PRO 16 3.345 6.648 -0.874
118 HB2 PRO 16 2HB PRO 16 5.751 6.987 -2.024
119 HB3 PRO 16 3HB PRO 16 4.344 7.939 -2.495
120 HG2 PRO 16 2HG PRO 16 6.618 8.663 -0.693
121 HG3 PRO 16 3HG PRO 16 5.801 9.653 -1.960
122 HD2 PRO 16 2HD PRO 16 5.314 9.817 0.775
123 HD3 PRO 16 3HD PRO 16 4.196 10.340 -0.496
124 H VAL 17 H VAL 17 4.039 4.659 -0.358
125 HA VAL 17 HA VAL 17 6.405 4.329 1.319
126 HB VAL 17 HB VAL 17 5.259 2.865 2.902
127 HG11 VAL 17 1HG1 VAL 17 3.968 4.556 4.144
128 HG12 VAL 17 2HG1 VAL 17 5.514 5.168 3.549
129 HG13 VAL 17 3HG1 VAL 17 4.017 5.598 2.721
130 HG21 VAL 17 3HG2 VAL 17 2.781 2.813 2.997
131 HG22 VAL 17 1HG2 VAL 17 2.737 3.656 1.449
132 HG23 VAL 17 2HG2 VAL 17 3.443 2.043 1.555
133 H CYS 18 H CYS 18 6.648 1.851 1.741
134 HA CYS 18 HA CYS 18 5.941 0.428 -0.733
135 HB2 CYS 18 2HB CYS 18 8.286 1.039 -0.780
136 HB3 CYS 18 3HB CYS 18 8.534 0.322 0.822
137 H GLY 19 H GLY 19 4.918 -1.439 -0.447
138 HA2 GLY 19 2HA GLY 19 4.498 -2.490 2.224
139 HA3 GLY 19 3HA GLY 19 3.864 -3.154 0.710
140 H SER 20 H SER 20 5.166 -4.532 2.947
141 HA SER 20 HA SER 20 7.870 -4.995 2.584
142 HB2 SER 20 2HB SER 20 6.636 -5.563 4.627
143 HB3 SER 20 3HB SER 20 5.828 -6.880 3.758
144 HG SER 20 HG SER 20 8.235 -7.449 3.308
145 H ASP 21 H ASP 21 5.332 -6.134 0.607
146 HA ASP 21 HA ASP 21 6.710 -8.456 -0.387
147 HB2 ASP 21 2HB ASP 21 4.230 -8.184 -0.491
148 HB3 ASP 21 3HB ASP 21 4.457 -6.878 -1.661
149 HD2 ASP 21 HD ASP 21 4.805 -9.102 -4.252
150 H GLY 22 H GLY 22 7.252 -5.204 -0.650
151 HA2 GLY 22 2HA GLY 22 8.980 -4.186 -1.885
152 HA3 GLY 22 3HA GLY 22 8.916 -5.533 -3.029
153 H VAL 23 H VAL 23 6.010 -3.945 -1.942
154 HA VAL 23 HA VAL 23 5.603 -3.113 -4.734
155 HB VAL 23 HB VAL 23 4.035 -4.783 -4.089
156 HG11 VAL 23 1HG1 VAL 23 4.254 -4.583 -1.677
157 HG12 VAL 23 2HG1 VAL 23 3.339 -3.077 -1.711
158 HG13 VAL 23 3HG1 VAL 23 2.560 -4.592 -2.169
159 HG21 VAL 23 3HG2 VAL 23 3.106 -3.006 -5.451
160 HG22 VAL 23 1HG2 VAL 23 1.886 -3.615 -4.331
161 HG23 VAL 23 2HG2 VAL 23 2.697 -2.081 -4.005
162 H THR 24 H THR 24 4.956 -1.067 -5.232
163 HA THR 24 HA THR 24 5.435 0.973 -3.262
164 HB THR 24 HB THR 24 4.615 1.139 -6.164
165 HG1 THR 24 1HG THR 24 6.715 0.316 -5.861
166 HG21 THR 24 3HG2 THR 24 5.513 3.321 -4.288
167 HG22 THR 24 1HG2 THR 24 3.899 3.129 -4.975
168 HG23 THR 24 2HG2 THR 24 5.267 3.499 -6.026
169 H TYR 25 H TYR 25 3.927 1.868 -2.020
170 HA TYR 25 HA TYR 25 1.147 1.777 -2.926
171 HB2 TYR 25 2HB TYR 25 2.404 1.715 -0.195
172 HB3 TYR 25 3HB TYR 25 0.715 2.114 -0.429
173 HD1 TYR 25 2HD TYR 25 -0.379 0.384 -2.312
174 HD2 TYR 25 1HD TYR 25 2.688 -0.480 0.495
175 HE1 TYR 25 2HE TYR 25 -0.953 -1.999 -2.441
176 HE2 TYR 25 1HE TYR 25 2.135 -2.870 0.369
177 HH TYR 25 HH TYR 25 -0.037 -4.252 -0.256
178 H SER 26 H SER 26 -0.039 3.568 -3.016
179 HA SER 26 HA SER 26 1.343 5.995 -3.470
180 HB2 SER 26 2HB SER 26 -1.609 5.327 -3.377
181 HB3 SER 26 3HB SER 26 -0.956 6.862 -3.961
182 HG SER 26 HG SER 26 0.394 5.297 -5.362
183 H ASN 27 H ASN 27 -0.471 4.783 -0.732
184 HA ASN 27 HA ASN 27 0.546 6.757 1.002
185 HB2 ASN 27 2HB ASN 27 -1.617 7.822 1.670
186 HB3 ASN 27 3HB ASN 27 -1.064 8.281 0.054
187 HD21 ASN 27 1HD2 ASN 27 -3.126 8.904 -0.534
188 HD22 ASN 27 2HD2 ASN 27 -4.362 7.746 -0.906
189 HA PRO 28 HA PRO 28 -0.471 3.872 4.227
190 HB2 PRO 28 2HB PRO 28 -2.283 5.921 5.487
191 HB3 PRO 28 3HB PRO 28 -1.003 4.944 6.204
192 HG2 PRO 28 2HG PRO 28 -0.635 7.519 5.609
193 HG3 PRO 28 3HG PRO 28 0.685 6.311 5.393
194 HD2 PRO 28 2HD PRO 28 -1.022 7.687 3.363
195 HD3 PRO 28 3HD PRO 28 0.654 7.128 3.244
196 H CYS 29 H CYS 29 -3.242 5.757 3.101
197 HA CYS 29 HA CYS 29 -5.324 4.025 3.713
198 HB2 CYS 29 2HB CYS 29 -5.846 6.189 2.944
199 HB3 CYS 29 3HB CYS 29 -4.894 5.981 1.464
200 H ASN 30 H ASN 30 -3.387 4.221 0.756
201 HA ASN 30 HA ASN 30 -4.556 2.053 -0.586
202 HB2 ASN 30 2HB ASN 30 -3.295 3.693 -1.785
203 HB3 ASN 30 3HB ASN 30 -1.855 3.384 -0.807
204 HD21 ASN 30 1HD2 ASN 30 -3.732 0.678 -1.944
205 HD22 ASN 30 2HD2 ASN 30 -2.598 0.196 -3.141
206 H PHE 31 H PHE 31 -1.673 2.218 1.494
207 HA PHE 31 HA PHE 31 -0.888 -0.446 1.212
208 HB2 PHE 31 1HB PHE 31 0.633 1.150 2.154
209 HB3 PHE 31 2HB PHE 31 -0.494 1.541 3.456
210 HD1 PHE 31 2HD PHE 31 1.928 -0.958 2.241
211 HD2 PHE 31 1HD PHE 31 -0.693 0.164 5.405
212 HE1 PHE 31 2HE PHE 31 3.007 -2.593 3.716
213 HE2 PHE 31 1HE PHE 31 0.389 -1.475 6.881
214 HZ PHE 31 HZ PHE 31 2.240 -2.859 6.034
215 H SER 32 H SER 32 -2.979 1.082 3.679
216 HA SER 32 HA SER 32 -3.384 -1.298 5.149
217 HB2 SER 32 2HB SER 32 -3.739 1.025 6.022
218 HB3 SER 32 3HB SER 32 -5.217 1.106 5.047
219 HG SER 32 HG SER 32 -6.217 -0.064 6.474
220 H ALA 33 H ALA 33 -5.439 0.341 2.737
221 HA ALA 33 HA ALA 33 -7.583 -1.490 2.908
222 HB1 ALA 33 1HB ALA 33 -8.387 -0.459 0.855
223 HB2 ALA 33 2HB ALA 33 -7.809 0.770 1.982
224 HB3 ALA 33 3HB ALA 33 -6.813 0.296 0.604
225 H GLN 34 H GLN 34 -4.818 -1.260 0.724
226 HA GLN 34 HA GLN 34 -5.541 -3.429 -0.926
227 HB2 GLN 34 2HB GLN 34 -3.879 -1.773 -1.606
228 HB3 GLN 34 3HB GLN 34 -2.805 -2.300 -0.303
229 HG2 GLN 34 2HG GLN 34 -1.996 -3.274 -2.292
230 HG3 GLN 34 3HG GLN 34 -2.767 -4.560 -1.356
231 HE21 GLN 34 1HE2 GLN 34 -2.296 -4.721 -4.091
232 HE22 GLN 34 2HE2 GLN 34 -3.810 -4.777 -4.917
233 H GLN 35 H GLN 35 -3.783 -3.190 2.095
234 HA GLN 35 HA GLN 35 -2.782 -5.851 1.979
235 HB2 GLN 35 2HB GLN 35 -2.541 -3.568 3.738
236 HB3 GLN 35 3HB GLN 35 -2.754 -5.070 4.653
237 HG2 GLN 35 2HG GLN 35 -0.394 -4.530 4.254
238 HG3 GLN 35 3HG GLN 35 -0.872 -6.070 3.553
239 HE21 GLN 35 1HE2 GLN 35 0.533 -3.134 3.013
240 HE22 GLN 35 2HE2 GLN 35 0.738 -3.283 1.309
241 H GLU 36 H GLU 36 -5.518 -4.326 3.675
242 HA GLU 36 HA GLU 36 -6.288 -6.669 5.039
243 HB2 GLU 36 2HB GLU 36 -8.521 -5.558 5.274
244 HB3 GLU 36 3HB GLU 36 -7.143 -4.587 5.817
245 HG2 GLU 36 2HG GLU 36 -7.197 -3.278 3.799
246 HG3 GLU 36 3HG GLU 36 -8.487 -4.296 3.150
247 HE2 GLU 36 HE GLU 36 -9.488 -1.780 6.062
248 H GLN 37 H GLN 37 -6.962 -5.536 1.770
249 HA GLN 37 HA GLN 37 -8.853 -7.700 1.331
250 HB2 GLN 37 2HB GLN 37 -7.894 -5.371 -0.232
251 HB3 GLN 37 3HB GLN 37 -8.441 -6.789 -1.152
252 HG2 GLN 37 2HG GLN 37 -10.169 -5.010 -0.742
253 HG3 GLN 37 3HG GLN 37 -10.614 -6.655 -0.265
254 HE21 GLN 37 1HE2 GLN 37 -9.695 -3.499 0.870
255 HE22 GLN 37 2HE2 GLN 37 -10.245 -3.706 2.502
256 H CYS 38 H CYS 38 -5.473 -7.044 0.634
257 HA CYS 38 HA CYS 38 -5.420 -9.450 -1.037
258 HB2 CYS 38 2HB CYS 38 -3.355 -7.271 -0.962
259 HB3 CYS 38 3HB CYS 38 -3.540 -8.553 -2.173
260 H ASP 39 H ASP 39 -2.804 -7.791 0.726
261 HA ASP 39 HA ASP 39 -2.095 -10.416 1.879
262 HB2 ASP 39 2HB ASP 39 -0.706 -9.806 -0.132
263 HB3 ASP 39 3HB ASP 39 -0.107 -8.418 0.785
264 HD2 ASP 39 HD ASP 39 1.143 -11.293 2.969
265 HA PRO 40 HA PRO 40 -2.636 -7.226 5.117
266 HB2 PRO 40 2HB PRO 40 -3.431 -8.957 7.088
267 HB3 PRO 40 3HB PRO 40 -4.504 -8.336 5.834
268 HG2 PRO 40 2HG PRO 40 -3.018 -10.940 5.944
269 HG3 PRO 40 3HG PRO 40 -4.739 -10.628 5.506
270 HD2 PRO 40 2HD PRO 40 -2.834 -11.058 3.639
271 HD3 PRO 40 3HD PRO 40 -4.175 -9.930 3.380
272 H ASN 41 H ASN 41 -0.397 -9.785 4.902
273 HA ASN 41 HA ASN 41 0.555 -9.342 7.634
274 HB2 ASN 41 2HB ASN 41 1.203 -11.565 5.693
275 HB3 ASN 41 3HB ASN 41 1.820 -11.438 7.346
276 HD21 ASN 41 1HD2 ASN 41 0.411 -11.727 9.087
277 HD22 ASN 41 2HD2 ASN 41 -1.108 -12.533 8.901
278 H ILE 42 H ILE 42 1.236 -7.834 4.889
279 HA ILE 42 HA ILE 42 4.132 -7.913 5.331
280 HB ILE 42 HB ILE 42 4.481 -6.666 3.360
281 HG12 ILE 42 2HG1 ILE 42 1.496 -6.222 3.249
282 HG13 ILE 42 3HG1 ILE 42 2.721 -5.001 3.636
283 HG21 ILE 42 1HG2 ILE 42 2.277 -8.649 2.882
284 HG22 ILE 42 2HG2 ILE 42 3.331 -7.986 1.635
285 HG23 ILE 42 3HG2 ILE 42 4.011 -8.974 2.927
286 HD11 ILE 42 3HD1 ILE 42 2.490 -6.433 1.002
287 HD12 ILE 42 1HD1 ILE 42 1.920 -4.798 1.340
288 HD13 ILE 42 2HD1 ILE 42 3.646 -5.165 1.407
289 H THR 43 H THR 43 5.317 -6.053 5.770
290 HA THR 43 HA THR 43 3.805 -4.018 7.270
291 HB THR 43 HB THR 43 6.720 -4.098 7.604
292 HG1 THR 43 1HG THR 43 5.410 -6.227 8.894
293 HG21 THR 43 3HG2 THR 43 4.435 -4.305 9.566
294 HG22 THR 43 1HG2 THR 43 5.199 -2.804 9.044
295 HG23 THR 43 2HG2 THR 43 6.121 -3.990 9.967
296 H ILE 44 H ILE 44 4.855 -1.774 7.205
297 HA ILE 44 HA ILE 44 5.442 -1.026 4.513
298 HB ILE 44 HB ILE 44 5.848 0.555 7.067
299 HG12 ILE 44 2HG1 ILE 44 3.603 0.598 5.032
300 HG13 ILE 44 3HG1 ILE 44 3.502 -0.083 6.664
301 HG21 ILE 44 1HG2 ILE 44 5.836 1.473 4.190
302 HG22 ILE 44 2HG2 ILE 44 5.907 2.527 5.602
303 HG23 ILE 44 3HG2 ILE 44 7.234 1.418 5.262
304 HD11 ILE 44 3HD1 ILE 44 3.881 2.138 7.617
305 HD12 ILE 44 1HD1 ILE 44 3.950 2.816 5.990
306 HD13 ILE 44 2HD1 ILE 44 2.454 2.098 6.583
307 H ALA 45 H ALA 45 7.284 -1.279 3.508
308 HA ALA 45 HA ALA 45 9.586 -2.296 4.864
309 HB1 ALA 45 1HB ALA 45 8.979 -3.088 2.637
310 HB2 ALA 45 2HB ALA 45 9.245 -1.471 1.981
311 HB3 ALA 45 3HB ALA 45 10.600 -2.391 2.642
312 H HIS 46 H HIS 46 8.920 0.671 3.024
313 HA HIS 46 HA HIS 46 10.557 2.194 4.792
314 HB2 HIS 46 2HB HIS 46 12.194 2.991 3.190
315 HB3 HIS 46 3HB HIS 46 12.309 1.236 3.342
316 HD1 HIS 46 1HD HIS 46 11.210 3.898 0.918
317 HD2 HIS 46 2HD HIS 46 11.823 -0.212 1.045
318 HE1 HIS 46 1HE HIS 46 11.106 3.124 -1.469
319 HE2 HIS 46 2HE HIS 46 11.741 0.683 -1.375
320 H MET 47 H MET 47 10.454 4.450 4.374
321 HA MET 47 HA MET 47 7.980 5.327 3.266
322 HB2 MET 47 2HB MET 47 9.161 6.422 5.182
323 HB3 MET 47 3HB MET 47 10.399 6.973 4.044
324 HG2 MET 47 2HG MET 47 8.896 8.787 4.480
325 HG3 MET 47 3HG MET 47 8.666 8.237 2.817
326 HE1 MET 47 3HE MET 47 6.376 9.557 2.687
327 HE2 MET 47 1HE MET 47 5.059 9.358 3.843
328 HE3 MET 47 2HE MET 47 6.574 10.103 4.353
329 H GLY 48 H GLY 48 7.623 6.497 1.365
330 HA2 GLY 48 2HA GLY 48 8.268 7.490 -0.688
331 HA3 GLY 48 3HA GLY 48 9.868 6.760 -0.500
332 H GLU 49 H GLU 49 8.175 6.667 -2.833
333 HA GLU 49 HA GLU 49 6.836 4.204 -3.053
334 HB2 GLU 49 2HB GLU 49 8.119 5.935 -5.177
335 HB3 GLU 49 3HB GLU 49 7.084 4.543 -5.520
336 HG2 GLU 49 2HG GLU 49 5.291 5.699 -4.143
337 HG3 GLU 49 3HG GLU 49 6.323 7.135 -4.215
338 HE2 GLU 49 HE GLU 49 5.503 7.740 -7.526
339 H CYS 50 H CYS 50 7.474 2.259 -4.127
340 HA CYS 50 HA CYS 50 10.197 1.570 -3.387
341 HB2 CYS 50 1HB CYS 50 7.764 0.313 -3.066
342 HB3 CYS 50 2HB CYS 50 8.519 -0.595 -4.387
Start of MODEL 7
1 H1 ALA 1 1H ALA 1 -13.602 -8.573 -1.528
2 H2 ALA 1 2H ALA 1 -13.590 -6.948 -2.015
3 H3 ALA 1 3H ALA 1 -12.970 -7.385 -0.500
4 HA ALA 1 HA ALA 1 -11.851 -8.286 -3.088
5 HB1 ALA 1 2HB ALA 1 -10.755 -6.188 -1.221
6 HB2 ALA 1 3HB ALA 1 -10.052 -6.721 -2.751
7 HB3 ALA 1 1HB ALA 1 -11.585 -5.846 -2.739
8 H GLU 2 H GLU 2 -10.567 -9.989 -2.867
9 HA GLU 2 HA GLU 2 -9.236 -10.418 -0.288
10 HB2 GLU 2 2HB GLU 2 -9.584 -12.819 -0.409
11 HB3 GLU 2 3HB GLU 2 -11.138 -11.974 -0.408
12 HG2 GLU 2 2HG GLU 2 -9.776 -13.139 -2.836
13 HG3 GLU 2 3HG GLU 2 -11.121 -13.867 -1.942
14 HE2 GLU 2 HE GLU 2 -13.413 -11.625 -3.325
15 H ASP 3 H ASP 3 -9.295 -10.982 -3.770
16 HA ASP 3 HA ASP 3 -6.362 -11.247 -3.648
17 HB2 ASP 3 2HB ASP 3 -7.445 -13.243 -4.590
18 HB3 ASP 3 3HB ASP 3 -8.257 -12.233 -5.796
19 HD2 ASP 3 HD ASP 3 -5.487 -12.197 -7.836
20 H CYS 4 H CYS 4 -5.461 -9.368 -4.083
21 HA CYS 4 HA CYS 4 -5.974 -8.179 -6.658
22 HB2 CYS 4 2HB CYS 4 -6.257 -5.934 -5.911
23 HB3 CYS 4 3HB CYS 4 -7.460 -6.917 -5.060
24 H VAL 5 H VAL 5 -4.120 -7.196 -7.478
25 HA VAL 5 HA VAL 5 -1.743 -7.573 -5.794
26 HB VAL 5 HB VAL 5 -1.959 -9.558 -7.181
27 HG11 VAL 5 1HG1 VAL 5 -1.830 -9.432 -9.613
28 HG12 VAL 5 2HG1 VAL 5 -3.260 -8.601 -8.999
29 HG13 VAL 5 3HG1 VAL 5 -1.856 -7.670 -9.525
30 HG21 VAL 5 3HG2 VAL 5 0.278 -7.760 -8.112
31 HG22 VAL 5 1HG2 VAL 5 0.281 -8.752 -6.654
32 HG23 VAL 5 2HG2 VAL 5 0.244 -9.519 -8.242
33 H GLY 6 H GLY 6 -0.334 -5.993 -5.845
34 HA2 GLY 6 2HA GLY 6 1.068 -4.490 -7.156
35 HA3 GLY 6 3HA GLY 6 -0.361 -4.138 -8.138
36 H ARG 7 H ARG 7 -1.187 -2.201 -7.724
37 HA ARG 7 HA ARG 7 -1.547 -1.543 -4.894
38 HB2 ARG 7 2HB ARG 7 -1.159 0.804 -5.292
39 HB3 ARG 7 3HB ARG 7 0.256 -0.129 -5.798
40 HG2 ARG 7 2HG ARG 7 -0.451 0.062 -8.142
41 HG3 ARG 7 3HG ARG 7 -1.844 1.027 -7.618
42 HD2 ARG 7 2HD ARG 7 -0.290 2.670 -6.602
43 HD3 ARG 7 3HD ARG 7 1.062 1.727 -7.238
44 HE ARG 7 HE ARG 7 -0.914 2.707 -9.154
45 HH11 ARG 7 2HH1 ARG 7 2.298 2.853 -7.789
46 HH12 ARG 7 1HH1 ARG 7 2.901 3.975 -8.977
47 HH21 ARG 7 2HH2 ARG 7 -0.124 4.194 -10.737
48 HH22 ARG 7 1HH2 ARG 7 1.521 4.729 -10.643
49 H LYS 8 H LYS 8 -3.565 -1.077 -4.343
50 HA LYS 8 HA LYS 8 -5.494 -0.538 -6.478
51 HB2 LYS 8 2HB LYS 8 -5.798 -1.369 -3.591
52 HB3 LYS 8 3HB LYS 8 -7.166 -0.739 -4.523
53 HG2 LYS 8 2HG LYS 8 -5.548 -3.222 -5.111
54 HG3 LYS 8 3HG LYS 8 -7.242 -3.129 -4.595
55 HD2 LYS 8 2HD LYS 8 -7.797 -1.927 -6.691
56 HD3 LYS 8 3HD LYS 8 -6.112 -2.121 -7.208
57 HE2 LYS 8 2HE LYS 8 -6.411 -4.606 -6.988
58 HE3 LYS 8 3HE LYS 8 -8.130 -4.300 -6.698
59 HZ1 LYS 8 3HZ LYS 8 -8.162 -3.137 -8.893
60 HZ2 LYS 8 1HZ LYS 8 -7.867 -4.804 -8.983
61 HZ3 LYS 8 2HZ LYS 8 -6.589 -3.702 -9.165
62 H ALA 9 H ALA 9 -6.310 1.458 -6.774
63 HA ALA 9 HA ALA 9 -4.617 3.474 -5.668
64 HB1 ALA 9 1HB ALA 9 -6.857 3.750 -7.656
65 HB2 ALA 9 2HB ALA 9 -5.611 4.948 -7.313
66 HB3 ALA 9 3HB ALA 9 -5.175 3.404 -8.044
67 H CYS 10 H CYS 10 -4.965 4.504 -3.898
68 HA CYS 10 HA CYS 10 -7.614 5.709 -3.450
69 HB2 CYS 10 2HB CYS 10 -7.221 4.040 -1.709
70 HB3 CYS 10 3HB CYS 10 -5.625 4.730 -1.370
71 H THR 11 H THR 11 -7.469 7.959 -2.778
72 HA THR 11 HA THR 11 -4.816 9.145 -2.761
73 HB THR 11 HB THR 11 -6.808 10.057 -4.842
74 HG1 THR 11 1HG THR 11 -4.912 8.019 -4.896
75 HG21 THR 11 3HG2 THR 11 -4.804 11.175 -5.787
76 HG22 THR 11 1HG2 THR 11 -3.880 10.639 -4.385
77 HG23 THR 11 2HG2 THR 11 -5.224 11.761 -4.178
78 H ARG 12 H ARG 12 -6.139 9.236 -0.588
79 HA ARG 12 HA ARG 12 -7.752 11.661 -0.435
80 HB2 ARG 12 2HB ARG 12 -8.044 11.087 1.905
81 HB3 ARG 12 3HB ARG 12 -8.345 9.658 0.906
82 HG2 ARG 12 2HG ARG 12 -6.083 8.829 1.405
83 HG3 ARG 12 3HG ARG 12 -5.819 10.244 2.441
84 HD2 ARG 12 2HD ARG 12 -6.433 8.404 3.852
85 HD3 ARG 12 3HD ARG 12 -7.789 9.539 3.796
86 HE ARG 12 HE ARG 12 -7.737 7.120 2.108
87 HH11 ARG 12 2HH1 ARG 12 -9.358 9.265 4.344
88 HH12 ARG 12 1HH1 ARG 12 -10.805 8.298 4.419
89 HH21 ARG 12 2HH2 ARG 12 -9.636 5.860 2.180
90 HH22 ARG 12 1HH2 ARG 12 -10.967 6.373 3.163
91 H GLU 13 H GLU 13 -4.563 10.756 -0.398
92 HA GLU 13 HA GLU 13 -3.446 13.223 0.380
93 HB2 GLU 13 2HB GLU 13 -4.208 12.431 2.615
94 HB3 GLU 13 3HB GLU 13 -3.245 10.961 2.393
95 HG2 GLU 13 2HG GLU 13 -1.196 12.247 2.408
96 HG3 GLU 13 3HG GLU 13 -2.125 13.748 2.533
97 HE2 GLU 13 HE GLU 13 -1.624 11.568 5.793
98 H TRP 14 H TRP 14 -1.027 13.059 0.192
99 HA TRP 14 HA TRP 14 -0.266 10.527 -1.102
100 HB2 TRP 14 2HB TRP 14 -0.402 12.396 -2.716
101 HB3 TRP 14 3HB TRP 14 0.776 13.291 -1.756
102 HD1 TRP 14 1HD TRP 14 3.330 12.680 -2.026
103 HE1 TRP 14 1HE TRP 14 4.628 11.143 -3.641
104 HE3 TRP 14 3HE TRP 14 -0.613 10.104 -4.031
105 HZ2 TRP 14 2HZ TRP 14 4.045 9.118 -5.514
106 HZ3 TRP 14 3HZ TRP 14 -0.151 8.385 -5.730
107 HH2 TRP 14 2HH TRP 14 2.130 7.904 -6.455
108 H TYR 15 H TYR 15 0.552 9.616 0.743
109 HA TYR 15 HA TYR 15 3.223 10.600 1.403
110 HB2 TYR 15 2HB TYR 15 1.137 9.382 3.192
111 HB3 TYR 15 3HB TYR 15 2.834 9.012 3.495
112 HD1 TYR 15 1HD TYR 15 0.506 11.893 3.109
113 HD2 TYR 15 2HD TYR 15 4.167 10.459 4.726
114 HE1 TYR 15 1HE TYR 15 0.761 13.986 4.370
115 HE2 TYR 15 2HE TYR 15 4.434 12.547 5.993
116 HH TYR 15 HH TYR 15 1.905 14.797 6.375
117 HA PRO 16 HA PRO 16 3.365 6.815 -0.913
118 HB2 PRO 16 2HB PRO 16 5.760 7.170 -2.101
119 HB3 PRO 16 3HB PRO 16 4.332 8.092 -2.566
120 HG2 PRO 16 2HG PRO 16 6.621 8.881 -0.811
121 HG3 PRO 16 3HG PRO 16 5.758 9.841 -2.070
122 HD2 PRO 16 2HD PRO 16 5.322 10.027 0.670
123 HD3 PRO 16 3HD PRO 16 4.167 10.509 -0.584
124 H VAL 17 H VAL 17 4.086 4.828 -0.416
125 HA VAL 17 HA VAL 17 6.443 4.530 1.284
126 HB VAL 17 HB VAL 17 5.314 3.095 2.884
127 HG11 VAL 17 1HG1 VAL 17 3.970 4.742 4.078
128 HG12 VAL 17 2HG1 VAL 17 5.445 5.455 3.427
129 HG13 VAL 17 3HG1 VAL 17 3.900 5.740 2.624
130 HG21 VAL 17 3HG2 VAL 17 2.776 3.755 1.397
131 HG22 VAL 17 1HG2 VAL 17 3.561 2.178 1.497
132 HG23 VAL 17 2HG2 VAL 17 2.862 2.906 2.941
133 H CYS 18 H CYS 18 6.604 2.011 1.769
134 HA CYS 18 HA CYS 18 6.023 0.585 -0.736
135 HB2 CYS 18 2HB CYS 18 8.389 1.312 -0.590
136 HB3 CYS 18 3HB CYS 18 8.554 0.359 0.896
137 H GLY 19 H GLY 19 5.145 -1.370 -0.508
138 HA2 GLY 19 2HA GLY 19 4.637 -2.412 2.161
139 HA3 GLY 19 3HA GLY 19 4.082 -3.104 0.631
140 H SER 20 H SER 20 5.358 -4.414 2.924
141 HA SER 20 HA SER 20 8.091 -4.800 2.655
142 HB2 SER 20 2HB SER 20 6.653 -5.400 4.631
143 HB3 SER 20 3HB SER 20 6.144 -6.842 3.735
144 HG SER 20 HG SER 20 7.984 -7.771 4.166
145 H ASP 21 H ASP 21 5.628 -6.028 0.641
146 HA ASP 21 HA ASP 21 7.070 -8.321 -0.317
147 HB2 ASP 21 2HB ASP 21 4.568 -8.011 -0.439
148 HB3 ASP 21 3HB ASP 21 4.843 -6.796 -1.693
149 HD2 ASP 21 HD ASP 21 5.225 -10.614 -2.645
150 H GLY 22 H GLY 22 7.524 -5.049 -0.592
151 HA2 GLY 22 2HA GLY 22 9.251 -3.983 -1.776
152 HA3 GLY 22 3HA GLY 22 9.289 -5.351 -2.897
153 H VAL 23 H VAL 23 6.307 -3.805 -1.956
154 HA VAL 23 HA VAL 23 5.972 -3.043 -4.775
155 HB VAL 23 HB VAL 23 4.427 -4.726 -4.209
156 HG11 VAL 23 1HG1 VAL 23 3.704 -3.114 -1.773
157 HG12 VAL 23 2HG1 VAL 23 2.879 -4.577 -2.308
158 HG13 VAL 23 3HG1 VAL 23 4.569 -4.650 -1.807
159 HG21 VAL 23 3HG2 VAL 23 3.458 -2.952 -5.538
160 HG22 VAL 23 1HG2 VAL 23 2.245 -3.619 -4.446
161 HG23 VAL 23 2HG2 VAL 23 3.006 -2.071 -4.078
162 H THR 24 H THR 24 5.201 -1.038 -5.353
163 HA THR 24 HA THR 24 5.712 1.091 -3.470
164 HB THR 24 HB THR 24 4.742 1.237 -6.331
165 HG1 THR 24 1HG THR 24 7.036 1.702 -6.710
166 HG21 THR 24 3HG2 THR 24 6.088 3.316 -4.615
167 HG22 THR 24 1HG2 THR 24 4.380 3.292 -5.051
168 HG23 THR 24 2HG2 THR 24 5.605 3.507 -6.300
169 H TYR 25 H TYR 25 4.214 2.101 -2.280
170 HA TYR 25 HA TYR 25 1.421 1.942 -3.153
171 HB2 TYR 25 2HB TYR 25 2.681 1.932 -0.426
172 HB3 TYR 25 3HB TYR 25 0.990 2.322 -0.670
173 HD1 TYR 25 1HD TYR 25 -0.358 0.640 -2.172
174 HD2 TYR 25 2HD TYR 25 3.234 -0.301 -0.107
175 HE1 TYR 25 1HE TYR 25 -0.906 -1.747 -2.327
176 HE2 TYR 25 2HE TYR 25 2.694 -2.691 -0.255
177 HH TYR 25 HH TYR 25 0.230 -3.888 -2.282
178 H SER 26 H SER 26 0.208 3.695 -3.233
179 HA SER 26 HA SER 26 1.514 6.166 -3.673
180 HB2 SER 26 2HB SER 26 -1.420 5.416 -3.551
181 HB3 SER 26 3HB SER 26 -0.803 6.966 -4.141
182 HG SER 26 HG SER 26 -0.021 6.020 -5.903
183 H ASN 27 H ASN 27 -0.174 4.818 -0.938
184 HA ASN 27 HA ASN 27 0.664 6.821 0.835
185 HB2 ASN 27 2HB ASN 27 -1.563 7.814 1.399
186 HB3 ASN 27 3HB ASN 27 -0.952 8.278 -0.194
187 HD21 ASN 27 1HD2 ASN 27 -2.886 8.752 -1.090
188 HD22 ASN 27 2HD2 ASN 27 -4.086 7.556 -1.458
189 HA PRO 28 HA PRO 28 -0.405 3.920 4.006
190 HB2 PRO 28 2HB PRO 28 -2.308 5.912 5.211
191 HB3 PRO 28 3HB PRO 28 -1.013 4.979 5.961
192 HG2 PRO 28 2HG PRO 28 -0.722 7.566 5.374
193 HG3 PRO 28 3HG PRO 28 0.648 6.406 5.192
194 HD2 PRO 28 2HD PRO 28 -1.067 7.708 3.117
195 HD3 PRO 28 3HD PRO 28 0.639 7.229 3.047
196 H CYS 29 H CYS 29 -3.234 5.760 2.891
197 HA CYS 29 HA CYS 29 -5.250 3.948 3.467
198 HB2 CYS 29 2HB CYS 29 -5.683 6.208 2.729
199 HB3 CYS 29 3HB CYS 29 -4.984 5.863 1.139
200 H ASN 30 H ASN 30 -3.222 4.165 0.577
201 HA ASN 30 HA ASN 30 -4.421 2.125 -0.931
202 HB2 ASN 30 2HB ASN 30 -2.790 3.919 -1.679
203 HB3 ASN 30 3HB ASN 30 -1.509 2.954 -0.936
204 HD21 ASN 30 1HD2 ASN 30 -2.818 0.408 -1.820
205 HD22 ASN 30 2HD2 ASN 30 -2.443 0.308 -3.502
206 H PHE 31 H PHE 31 -1.630 2.112 1.268
207 HA PHE 31 HA PHE 31 -1.032 -0.630 0.967
208 HB2 PHE 31 1HB PHE 31 0.652 0.909 1.778
209 HB3 PHE 31 2HB PHE 31 -0.343 1.330 3.174
210 HD1 PHE 31 2HD PHE 31 -0.587 -0.193 5.056
211 HD2 PHE 31 1HD PHE 31 1.911 -1.178 1.752
212 HE1 PHE 31 2HE PHE 31 0.479 -1.963 6.389
213 HE2 PHE 31 1HE PHE 31 2.983 -2.936 3.085
214 HZ PHE 31 HZ PHE 31 2.266 -3.336 5.400
215 H SER 32 H SER 32 -2.884 1.169 3.401
216 HA SER 32 HA SER 32 -3.277 -1.011 5.139
217 HB2 SER 32 2HB SER 32 -3.518 1.398 5.765
218 HB3 SER 32 3HB SER 32 -5.028 1.442 4.839
219 HG SER 32 HG SER 32 -4.550 -0.385 6.968
220 H ALA 33 H ALA 33 -5.422 0.406 2.653
221 HA ALA 33 HA ALA 33 -7.554 -1.380 3.197
222 HB1 ALA 33 1HB ALA 33 -8.561 -0.518 1.170
223 HB2 ALA 33 2HB ALA 33 -7.876 0.799 2.123
224 HB3 ALA 33 3HB ALA 33 -7.025 0.209 0.696
225 H GLN 34 H GLN 34 -5.013 -1.350 0.722
226 HA GLN 34 HA GLN 34 -5.973 -3.634 -0.636
227 HB2 GLN 34 2HB GLN 34 -4.525 -2.201 -1.820
228 HB3 GLN 34 3HB GLN 34 -3.297 -2.264 -0.547
229 HG2 GLN 34 2HG GLN 34 -2.515 -4.319 -1.185
230 HG3 GLN 34 3HG GLN 34 -4.044 -4.776 -1.944
231 HE21 GLN 34 1HE2 GLN 34 -3.011 -5.399 -3.815
232 HE22 GLN 34 2HE2 GLN 34 -2.343 -4.267 -4.931
233 H GLN 35 H GLN 35 -3.954 -3.197 2.151
234 HA GLN 35 HA GLN 35 -2.921 -5.877 2.133
235 HB2 GLN 35 2HB GLN 35 -2.591 -3.449 3.756
236 HB3 GLN 35 3HB GLN 35 -2.425 -4.968 4.646
237 HG2 GLN 35 2HG GLN 35 -0.308 -3.920 3.727
238 HG3 GLN 35 3HG GLN 35 -0.562 -5.634 3.406
239 HE21 GLN 35 1HE2 GLN 35 1.054 -3.605 2.097
240 HE22 GLN 35 2HE2 GLN 35 0.638 -3.696 0.426
241 H GLU 36 H GLU 36 -5.329 -4.118 4.082
242 HA GLU 36 HA GLU 36 -5.989 -6.276 5.760
243 HB2 GLU 36 2HB GLU 36 -8.070 -5.060 6.246
244 HB3 GLU 36 3HB GLU 36 -6.664 -3.986 6.281
245 HG2 GLU 36 2HG GLU 36 -7.201 -3.141 4.072
246 HG3 GLU 36 3HG GLU 36 -8.568 -4.258 3.968
247 HE2 GLU 36 HE GLU 36 -10.615 -2.108 5.663
248 H GLN 37 H GLN 37 -6.962 -5.463 2.512
249 HA GLN 37 HA GLN 37 -9.064 -7.481 2.558
250 HB2 GLN 37 2HB GLN 37 -8.194 -5.534 0.417
251 HB3 GLN 37 3HB GLN 37 -9.575 -6.634 0.287
252 HG2 GLN 37 2HG GLN 37 -10.808 -5.503 1.912
253 HG3 GLN 37 3HG GLN 37 -9.376 -4.676 2.542
254 HE21 GLN 37 1HE2 GLN 37 -8.388 -4.025 -0.119
255 HE22 GLN 37 2HE2 GLN 37 -9.363 -2.719 -0.681
256 H CYS 38 H CYS 38 -5.833 -7.031 1.186
257 HA CYS 38 HA CYS 38 -6.224 -9.556 -0.281
258 HB2 CYS 38 2HB CYS 38 -4.513 -7.216 -1.101
259 HB3 CYS 38 3HB CYS 38 -4.739 -8.713 -2.021
260 H ASP 39 H ASP 39 -3.434 -7.527 0.782
261 HA ASP 39 HA ASP 39 -2.017 -10.052 1.321
262 HB2 ASP 39 2HB ASP 39 -1.152 -7.530 -0.025
263 HB3 ASP 39 3HB ASP 39 0.046 -8.414 0.931
264 HD2 ASP 39 HD ASP 39 0.487 -10.720 -1.552
265 HA PRO 40 HA PRO 40 -2.384 -7.610 5.255
266 HB2 PRO 40 2HB PRO 40 -2.918 -10.183 6.559
267 HB3 PRO 40 3HB PRO 40 -3.936 -8.749 6.446
268 HG2 PRO 40 2HG PRO 40 -4.446 -11.087 5.149
269 HG3 PRO 40 3HG PRO 40 -4.975 -9.476 4.538
270 HD2 PRO 40 2HD PRO 40 -2.665 -11.202 3.689
271 HD3 PRO 40 3HD PRO 40 -3.771 -10.227 2.706
272 H ASN 41 H ASN 41 -0.383 -10.109 4.169
273 HA ASN 41 HA ASN 41 0.864 -10.742 6.674
274 HB2 ASN 41 2HB ASN 41 1.718 -11.473 3.861
275 HB3 ASN 41 3HB ASN 41 2.316 -12.204 5.356
276 HD21 ASN 41 1HD2 ASN 41 -0.259 -12.239 6.664
277 HD22 ASN 41 2HD2 ASN 41 -1.190 -13.480 5.895
278 H ILE 42 H ILE 42 1.412 -8.331 4.271
279 HA ILE 42 HA ILE 42 4.237 -8.136 5.001
280 HB ILE 42 HB ILE 42 4.580 -6.693 3.154
281 HG12 ILE 42 2HG1 ILE 42 1.568 -6.590 2.884
282 HG13 ILE 42 3HG1 ILE 42 2.631 -5.252 3.352
283 HG21 ILE 42 1HG2 ILE 42 2.647 -8.863 2.358
284 HG22 ILE 42 2HG2 ILE 42 3.754 -8.029 1.269
285 HG23 ILE 42 3HG2 ILE 42 4.390 -9.035 2.572
286 HD11 ILE 42 3HD1 ILE 42 3.672 -5.288 1.147
287 HD12 ILE 42 1HD1 ILE 42 2.611 -6.618 0.671
288 HD13 ILE 42 2HD1 ILE 42 1.926 -5.032 1.042
289 H THR 43 H THR 43 5.186 -6.197 5.671
290 HA THR 43 HA THR 43 3.356 -4.339 7.039
291 HB THR 43 HB THR 43 5.394 -3.810 8.464
292 HG1 THR 43 1HG THR 43 7.034 -5.444 8.464
293 HG21 THR 43 3HG2 THR 43 5.139 -5.787 9.886
294 HG22 THR 43 1HG2 THR 43 4.341 -6.637 8.563
295 HG23 THR 43 2HG2 THR 43 3.577 -5.222 9.291
296 H ILE 44 H ILE 44 4.316 -2.059 7.238
297 HA ILE 44 HA ILE 44 5.080 -1.083 4.695
298 HB ILE 44 HB ILE 44 5.363 0.289 7.382
299 HG12 ILE 44 2HG1 ILE 44 3.135 0.446 5.333
300 HG13 ILE 44 3HG1 ILE 44 3.045 -0.432 6.866
301 HG21 ILE 44 1HG2 ILE 44 5.342 1.408 4.579
302 HG22 ILE 44 2HG2 ILE 44 5.323 2.368 6.058
303 HG23 ILE 44 3HG2 ILE 44 6.718 1.357 5.681
304 HD11 ILE 44 3HD1 ILE 44 3.341 2.543 6.537
305 HD12 ILE 44 1HD1 ILE 44 1.907 1.675 7.079
306 HD13 ILE 44 2HD1 ILE 44 3.361 1.690 8.079
307 H ALA 45 H ALA 45 6.988 -1.213 3.761
308 HA ALA 45 HA ALA 45 9.247 -2.234 5.211
309 HB1 ALA 45 1HB ALA 45 10.361 -2.325 3.069
310 HB2 ALA 45 2HB ALA 45 8.726 -2.967 2.917
311 HB3 ALA 45 3HB ALA 45 9.092 -1.342 2.334
312 H HIS 46 H HIS 46 8.570 0.753 3.399
313 HA HIS 46 HA HIS 46 10.028 2.338 5.241
314 HB2 HIS 46 2HB HIS 46 11.827 3.121 3.806
315 HB3 HIS 46 3HB HIS 46 11.953 1.374 4.021
316 HD1 HIS 46 1HD HIS 46 11.334 3.976 1.409
317 HD2 HIS 46 2HD HIS 46 11.499 -0.168 1.716
318 HE1 HIS 46 1HE HIS 46 11.469 3.123 -0.955
319 HE2 HIS 46 2HE HIS 46 11.799 0.631 -0.719
320 H MET 47 H MET 47 10.055 4.616 4.629
321 HA MET 47 HA MET 47 7.689 5.404 3.195
322 HB2 MET 47 2HB MET 47 10.006 7.006 4.326
323 HB3 MET 47 3HB MET 47 8.553 7.721 3.610
324 HG2 MET 47 2HG MET 47 8.556 5.921 6.034
325 HG3 MET 47 3HG MET 47 8.551 7.685 6.085
326 HE1 MET 47 3HE MET 47 6.553 9.185 5.048
327 HE2 MET 47 1HE MET 47 6.676 8.305 3.525
328 HE3 MET 47 2HE MET 47 5.110 8.486 4.314
329 H GLY 48 H GLY 48 7.628 6.497 1.206
330 HA2 GLY 48 2HA GLY 48 8.686 7.411 -0.741
331 HA3 GLY 48 3HA GLY 48 10.138 6.487 -0.321
332 H GLU 49 H GLU 49 8.522 6.615 -2.791
333 HA GLU 49 HA GLU 49 7.082 4.209 -3.124
334 HB2 GLU 49 2HB GLU 49 7.270 4.719 -5.544
335 HB3 GLU 49 3HB GLU 49 6.708 6.095 -4.581
336 HG2 GLU 49 2HG GLU 49 9.155 6.854 -4.556
337 HG3 GLU 49 3HG GLU 49 9.385 5.681 -5.860
338 HE2 GLU 49 HE GLU 49 7.298 7.619 -7.998
339 H CYS 50 H CYS 50 7.670 2.297 -4.226
340 HA CYS 50 HA CYS 50 10.503 1.645 -3.947
341 HB2 CYS 50 1HB CYS 50 7.997 0.236 -3.533
342 HB3 CYS 50 2HB CYS 50 9.136 -0.711 -4.495
Start of MODEL 8
1 H1 ALA 1 1H ALA 1 -13.785 -7.700 -2.148
2 H2 ALA 1 2H ALA 1 -13.247 -6.135 -1.756
3 H3 ALA 1 3H ALA 1 -12.841 -7.445 -0.761
4 HA ALA 1 HA ALA 1 -11.987 -7.149 -3.579
5 HB1 ALA 1 2HB ALA 1 -10.968 -5.420 -2.204
6 HB2 ALA 1 3HB ALA 1 -10.411 -6.641 -1.059
7 HB3 ALA 1 1HB ALA 1 -9.773 -6.616 -2.703
8 H GLU 2 H GLU 2 -10.743 -8.558 -0.550
9 HA GLU 2 HA GLU 2 -10.119 -10.634 0.048
10 HB2 GLU 2 2HB GLU 2 -11.888 -11.345 -2.271
11 HB3 GLU 2 3HB GLU 2 -10.921 -12.589 -1.464
12 HG2 GLU 2 2HG GLU 2 -13.242 -12.463 -0.637
13 HG3 GLU 2 3HG GLU 2 -12.024 -12.196 0.618
14 HE2 GLU 2 HE GLU 2 -14.351 -9.144 -0.393
15 H ASP 3 H ASP 3 -9.987 -10.818 -3.526
16 HA ASP 3 HA ASP 3 -7.107 -11.334 -3.219
17 HB2 ASP 3 2HB ASP 3 -9.176 -12.614 -4.967
18 HB3 ASP 3 3HB ASP 3 -7.514 -12.502 -5.542
19 HD2 ASP 3 HD ASP 3 -6.472 -15.042 -3.471
20 H CYS 4 H CYS 4 -6.121 -9.524 -3.776
21 HA CYS 4 HA CYS 4 -6.221 -8.842 -6.570
22 HB2 CYS 4 2HB CYS 4 -6.497 -6.495 -6.340
23 HB3 CYS 4 3HB CYS 4 -7.850 -7.255 -5.487
24 H VAL 5 H VAL 5 -4.141 -8.663 -7.259
25 HA VAL 5 HA VAL 5 -2.151 -8.730 -5.119
26 HB VAL 5 HB VAL 5 -1.957 -9.625 -8.000
27 HG11 VAL 5 1HG1 VAL 5 0.042 -9.891 -5.763
28 HG12 VAL 5 2HG1 VAL 5 0.193 -10.595 -7.374
29 HG13 VAL 5 3HG1 VAL 5 0.190 -8.843 -7.175
30 HG21 VAL 5 3HG2 VAL 5 -1.866 -11.891 -7.037
31 HG22 VAL 5 1HG2 VAL 5 -2.147 -11.204 -5.437
32 HG23 VAL 5 2HG2 VAL 5 -3.388 -11.075 -6.683
33 H GLY 6 H GLY 6 -0.871 -7.086 -4.783
34 HA2 GLY 6 2HA GLY 6 0.910 -5.713 -5.797
35 HA3 GLY 6 3HA GLY 6 -0.277 -5.268 -7.033
36 H ARG 7 H ARG 7 -1.061 -3.321 -6.783
37 HA ARG 7 HA ARG 7 -1.813 -2.501 -4.068
38 HB2 ARG 7 2HB ARG 7 -1.119 -0.237 -4.460
39 HB3 ARG 7 3HB ARG 7 0.251 -1.302 -4.806
40 HG2 ARG 7 2HG ARG 7 -0.105 -1.089 -7.182
41 HG3 ARG 7 3HG ARG 7 -1.573 -0.135 -6.896
42 HD2 ARG 7 2HD ARG 7 -0.136 1.532 -5.673
43 HD3 ARG 7 3HD ARG 7 1.267 0.630 -6.262
44 HE ARG 7 HE ARG 7 -0.640 1.543 -8.269
45 HH11 ARG 7 2HH1 ARG 7 2.405 1.999 -6.624
46 HH12 ARG 7 1HH1 ARG 7 3.039 3.106 -7.809
47 HH21 ARG 7 2HH2 ARG 7 0.165 3.012 -9.831
48 HH22 ARG 7 1HH2 ARG 7 1.750 3.699 -9.634
49 H LYS 8 H LYS 8 -3.906 -1.893 -3.922
50 HA LYS 8 HA LYS 8 -5.252 -1.166 -6.393
51 HB2 LYS 8 2HB LYS 8 -6.266 -2.847 -4.802
52 HB3 LYS 8 3HB LYS 8 -6.488 -1.508 -3.663
53 HG2 LYS 8 2HG LYS 8 -8.511 -2.120 -4.998
54 HG3 LYS 8 3HG LYS 8 -8.024 -0.420 -5.090
55 HD2 LYS 8 2HD LYS 8 -8.657 -1.275 -7.294
56 HD3 LYS 8 3HD LYS 8 -6.943 -0.827 -7.242
57 HE2 LYS 8 2HE LYS 8 -7.077 -2.887 -8.426
58 HE3 LYS 8 3HE LYS 8 -6.424 -3.252 -6.823
59 HZ1 LYS 8 3HZ LYS 8 -8.107 -4.852 -7.508
60 HZ2 LYS 8 1HZ LYS 8 -9.259 -3.613 -7.643
61 HZ3 LYS 8 2HZ LYS 8 -8.608 -4.004 -6.124
62 H ALA 9 H ALA 9 -5.717 0.966 -6.818
63 HA ALA 9 HA ALA 9 -4.050 2.717 -5.285
64 HB1 ALA 9 1HB ALA 9 -5.715 3.329 -7.714
65 HB2 ALA 9 2HB ALA 9 -4.420 4.326 -7.050
66 HB3 ALA 9 3HB ALA 9 -4.053 2.736 -7.726
67 H CYS 10 H CYS 10 -4.562 4.052 -3.769
68 HA CYS 10 HA CYS 10 -7.270 5.217 -3.676
69 HB2 CYS 10 2HB CYS 10 -6.863 3.866 -1.701
70 HB3 CYS 10 3HB CYS 10 -5.303 4.661 -1.431
71 H THR 11 H THR 11 -7.318 7.544 -3.326
72 HA THR 11 HA THR 11 -4.783 8.945 -3.331
73 HB THR 11 HB THR 11 -6.648 9.366 -5.670
74 HG1 THR 11 1HG THR 11 -4.541 7.560 -5.291
75 HG21 THR 11 3HG2 THR 11 -5.249 11.270 -5.083
76 HG22 THR 11 1HG2 THR 11 -4.711 10.556 -6.603
77 HG23 THR 11 2HG2 THR 11 -3.815 10.244 -5.115
78 H ARG 12 H ARG 12 -5.878 9.599 -1.314
79 HA ARG 12 HA ARG 12 -7.533 11.978 -1.842
80 HB2 ARG 12 2HB ARG 12 -8.202 11.881 0.543
81 HB3 ARG 12 3HB ARG 12 -8.687 10.441 -0.361
82 HG2 ARG 12 2HG ARG 12 -6.793 9.199 0.563
83 HG3 ARG 12 3HG ARG 12 -6.302 10.643 1.466
84 HD2 ARG 12 2HD ARG 12 -8.430 10.621 2.685
85 HD3 ARG 12 3HD ARG 12 -8.918 9.182 1.775
86 HE ARG 12 HE ARG 12 -6.489 8.586 2.985
87 HH11 ARG 12 2HH1 ARG 12 -9.720 9.468 4.013
88 HH12 ARG 12 1HH1 ARG 12 -9.653 8.502 5.458
89 HH21 ARG 12 2HH2 ARG 12 -6.401 7.325 4.889
90 HH22 ARG 12 1HH2 ARG 12 -7.777 7.278 5.955
91 H GLU 13 H GLU 13 -4.640 10.709 -0.446
92 HA GLU 13 HA GLU 13 -3.467 13.360 -0.283
93 HB2 GLU 13 2HB GLU 13 -4.387 12.923 1.980
94 HB3 GLU 13 3HB GLU 13 -3.487 11.400 2.041
95 HG2 GLU 13 2HG GLU 13 -2.430 13.197 3.343
96 HG3 GLU 13 3HG GLU 13 -1.396 12.566 2.051
97 HE2 GLU 13 HE GLU 13 -2.611 16.319 1.810
98 H TRP 14 H TRP 14 -1.038 13.145 -0.191
99 HA TRP 14 HA TRP 14 -0.244 10.496 -1.221
100 HB2 TRP 14 2HB TRP 14 -0.204 12.239 -2.968
101 HB3 TRP 14 3HB TRP 14 0.907 13.193 -1.986
102 HD1 TRP 14 1HD TRP 14 3.465 12.537 -2.009
103 HE1 TRP 14 1HE TRP 14 4.854 10.882 -3.414
104 HE3 TRP 14 3HE TRP 14 -0.352 9.878 -4.130
105 HZ2 TRP 14 2HZ TRP 14 4.387 8.744 -5.193
106 HZ3 TRP 14 3HZ TRP 14 0.205 8.045 -5.672
107 HH2 TRP 14 2HH TRP 14 2.528 7.489 -6.193
108 H TYR 15 H TYR 15 0.411 9.703 0.763
109 HA TYR 15 HA TYR 15 3.079 10.671 1.487
110 HB2 TYR 15 2HB TYR 15 1.092 9.226 3.277
111 HB3 TYR 15 3HB TYR 15 2.781 9.524 3.693
112 HD1 TYR 15 1HD TYR 15 3.508 12.085 3.497
113 HD2 TYR 15 2HD TYR 15 -0.467 10.704 4.115
114 HE1 TYR 15 1HE TYR 15 2.910 14.262 4.471
115 HE2 TYR 15 2HE TYR 15 -1.079 12.877 5.085
116 HH TYR 15 HH TYR 15 0.763 15.625 4.747
117 HA PRO 16 HA PRO 16 3.231 6.747 -0.603
118 HB2 PRO 16 2HB PRO 16 5.626 7.021 -1.787
119 HB3 PRO 16 3HB PRO 16 4.217 7.947 -2.301
120 HG2 PRO 16 2HG PRO 16 6.491 8.769 -0.538
121 HG3 PRO 16 3HG PRO 16 5.692 9.680 -1.873
122 HD2 PRO 16 2HD PRO 16 5.174 10.035 0.827
123 HD3 PRO 16 3HD PRO 16 4.051 10.440 -0.484
124 H VAL 17 H VAL 17 3.907 4.791 0.021
125 HA VAL 17 HA VAL 17 6.370 4.548 1.590
126 HB VAL 17 HB VAL 17 5.438 3.104 3.243
127 HG11 VAL 17 1HG1 VAL 17 3.838 4.549 4.416
128 HG12 VAL 17 2HG1 VAL 17 5.215 5.444 3.777
129 HG13 VAL 17 3HG1 VAL 17 3.658 5.513 2.951
130 HG21 VAL 17 3HG2 VAL 17 2.774 3.339 1.853
131 HG22 VAL 17 1HG2 VAL 17 3.823 1.920 1.854
132 HG23 VAL 17 2HG2 VAL 17 3.090 2.474 3.361
133 H CYS 18 H CYS 18 6.903 2.111 1.832
134 HA CYS 18 HA CYS 18 6.152 0.781 -0.687
135 HB2 CYS 18 2HB CYS 18 8.474 1.347 -0.757
136 HB3 CYS 18 3HB CYS 18 8.742 0.669 0.861
137 H GLY 19 H GLY 19 5.168 -1.109 -0.560
138 HA2 GLY 19 2HA GLY 19 4.836 -2.425 2.019
139 HA3 GLY 19 3HA GLY 19 4.125 -2.922 0.474
140 H SER 20 H SER 20 5.679 -4.408 2.558
141 HA SER 20 HA SER 20 8.327 -4.798 1.810
142 HB2 SER 20 2HB SER 20 7.127 -5.445 3.986
143 HB3 SER 20 3HB SER 20 6.697 -6.941 3.139
144 HG SER 20 HG SER 20 8.693 -7.624 3.286
145 H ASP 21 H ASP 21 5.567 -5.909 0.179
146 HA ASP 21 HA ASP 21 6.765 -8.202 -1.051
147 HB2 ASP 21 2HB ASP 21 4.277 -7.740 -0.903
148 HB3 ASP 21 3HB ASP 21 4.509 -6.496 -2.139
149 HD2 ASP 21 HD ASP 21 4.560 -8.828 -4.656
150 H GLY 22 H GLY 22 7.368 -4.949 -1.203
151 HA2 GLY 22 2HA GLY 22 9.028 -3.902 -2.489
152 HA3 GLY 22 3HA GLY 22 8.884 -5.196 -3.685
153 H VAL 23 H VAL 23 6.051 -3.631 -2.392
154 HA VAL 23 HA VAL 23 5.561 -2.596 -5.099
155 HB VAL 23 HB VAL 23 3.941 -4.218 -4.555
156 HG11 VAL 23 1HG1 VAL 23 4.304 -4.400 -2.190
157 HG12 VAL 23 2HG1 VAL 23 3.579 -2.813 -1.923
158 HG13 VAL 23 3HG1 VAL 23 2.585 -4.150 -2.502
159 HG21 VAL 23 3HG2 VAL 23 2.976 -2.251 -5.606
160 HG22 VAL 23 1HG2 VAL 23 1.825 -2.957 -4.469
161 HG23 VAL 23 2HG2 VAL 23 2.726 -1.505 -4.027
162 H THR 24 H THR 24 5.030 -0.519 -5.454
163 HA THR 24 HA THR 24 5.662 1.411 -3.410
164 HB THR 24 HB THR 24 4.684 1.926 -6.223
165 HG1 THR 24 1HG THR 24 7.432 1.921 -5.789
166 HG21 THR 24 3HG2 THR 24 5.976 3.964 -6.050
167 HG22 THR 24 1HG2 THR 24 6.543 3.502 -4.447
168 HG23 THR 24 2HG2 THR 24 4.836 3.863 -4.706
169 H TYR 25 H TYR 25 4.120 2.138 -2.042
170 HA TYR 25 HA TYR 25 1.348 2.065 -2.939
171 HB2 TYR 25 2HB TYR 25 2.658 2.101 -0.235
172 HB3 TYR 25 3HB TYR 25 0.953 2.463 -0.440
173 HD1 TYR 25 2HD TYR 25 -0.394 0.736 -1.909
174 HD2 TYR 25 1HD TYR 25 3.240 -0.119 0.115
175 HE1 TYR 25 2HE TYR 25 -0.913 -1.660 -2.015
176 HE2 TYR 25 1HE TYR 25 2.736 -2.519 0.012
177 HH TYR 25 HH TYR 25 0.241 -3.797 -1.940
178 H SER 26 H SER 26 0.144 3.763 -3.149
179 HA SER 26 HA SER 26 1.308 6.262 -3.639
180 HB2 SER 26 2HB SER 26 -1.599 5.444 -3.337
181 HB3 SER 26 3HB SER 26 -1.047 6.973 -4.036
182 HG SER 26 HG SER 26 -1.158 4.492 -5.166
183 H ASN 27 H ASN 27 -0.246 4.962 -0.795
184 HA ASN 27 HA ASN 27 0.534 7.059 0.889
185 HB2 ASN 27 2HB ASN 27 -1.752 7.992 1.410
186 HB3 ASN 27 3HB ASN 27 -1.098 8.453 -0.166
187 HD21 ASN 27 1HD2 ASN 27 -2.978 8.846 -1.177
188 HD22 ASN 27 2HD2 ASN 27 -4.151 7.623 -1.542
189 HA PRO 28 HA PRO 28 -0.513 4.243 4.164
190 HB2 PRO 28 2HB PRO 28 -2.343 5.747 5.721
191 HB3 PRO 28 3HB PRO 28 -0.591 5.688 5.908
192 HG2 PRO 28 2HG PRO 28 -2.291 7.672 4.467
193 HG3 PRO 28 3HG PRO 28 -0.793 7.934 5.435
194 HD2 PRO 28 2HD PRO 28 -0.757 8.036 2.754
195 HD3 PRO 28 3HD PRO 28 0.571 7.298 3.667
196 H CYS 29 H CYS 29 -3.294 6.039 2.910
197 HA CYS 29 HA CYS 29 -5.338 4.256 3.492
198 HB2 CYS 29 2HB CYS 29 -5.811 6.446 2.642
199 HB3 CYS 29 3HB CYS 29 -4.951 6.106 1.132
200 H ASN 30 H ASN 30 -3.144 4.337 0.721
201 HA ASN 30 HA ASN 30 -4.303 2.200 -0.700
202 HB2 ASN 30 2HB ASN 30 -2.684 4.011 -1.540
203 HB3 ASN 30 3HB ASN 30 -1.403 3.023 -0.829
204 HD21 ASN 30 1HD2 ASN 30 -2.884 0.512 -1.546
205 HD22 ASN 30 2HD2 ASN 30 -2.609 0.316 -3.242
206 H PHE 31 H PHE 31 -1.546 2.390 1.569
207 HA PHE 31 HA PHE 31 -0.863 -0.347 1.299
208 HB2 PHE 31 1HB PHE 31 0.747 1.268 2.171
209 HB3 PHE 31 2HB PHE 31 -0.280 1.568 3.575
210 HD1 PHE 31 2HD PHE 31 -0.475 -0.068 5.372
211 HD2 PHE 31 1HD PHE 31 2.115 -0.775 2.055
212 HE1 PHE 31 2HE PHE 31 0.653 -1.853 6.628
213 HE2 PHE 31 1HE PHE 31 3.246 -2.543 3.321
214 HZ PHE 31 HZ PHE 31 2.515 -3.094 5.602
215 H SER 32 H SER 32 -2.842 1.387 3.707
216 HA SER 32 HA SER 32 -3.272 -0.871 5.338
217 HB2 SER 32 2HB SER 32 -3.605 1.506 6.047
218 HB3 SER 32 3HB SER 32 -5.077 1.540 5.062
219 HG SER 32 HG SER 32 -5.926 -0.136 6.368
220 H ALA 33 H ALA 33 -5.356 0.607 2.835
221 HA ALA 33 HA ALA 33 -7.479 -1.238 3.217
222 HB1 ALA 33 1HB ALA 33 -7.842 0.974 2.257
223 HB2 ALA 33 2HB ALA 33 -6.893 0.520 0.840
224 HB3 ALA 33 3HB ALA 33 -8.421 -0.292 1.174
225 H GLN 34 H GLN 34 -4.845 -1.041 0.887
226 HA GLN 34 HA GLN 34 -5.626 -3.226 -0.709
227 HB2 GLN 34 2HB GLN 34 -4.099 -1.612 -1.547
228 HB3 GLN 34 3HB GLN 34 -2.983 -1.863 -0.207
229 HG2 GLN 34 2HG GLN 34 -2.133 -2.785 -2.278
230 HG3 GLN 34 3HG GLN 34 -2.399 -4.041 -1.060
231 HE21 GLN 34 1HE2 GLN 34 -2.340 -5.443 -2.891
232 HE22 GLN 34 2HE2 GLN 34 -3.780 -5.717 -3.767
233 H GLN 35 H GLN 35 -3.770 -2.975 2.244
234 HA GLN 35 HA GLN 35 -2.872 -5.695 2.198
235 HB2 GLN 35 2HB GLN 35 -2.617 -3.358 3.993
236 HB3 GLN 35 3HB GLN 35 -2.483 -4.947 4.760
237 HG2 GLN 35 2HG GLN 35 -0.316 -3.914 4.110
238 HG3 GLN 35 3HG GLN 35 -0.601 -5.526 3.445
239 HE21 GLN 35 1HE2 GLN 35 1.152 -3.352 2.629
240 HE22 GLN 35 2HE2 GLN 35 0.831 -3.134 0.945
241 H GLU 36 H GLU 36 -5.306 -3.915 4.104
242 HA GLU 36 HA GLU 36 -6.114 -6.175 5.598
243 HB2 GLU 36 2HB GLU 36 -8.086 -4.831 6.222
244 HB3 GLU 36 3HB GLU 36 -6.573 -3.933 6.397
245 HG2 GLU 36 2HG GLU 36 -7.004 -2.860 4.203
246 HG3 GLU 36 3HG GLU 36 -8.572 -3.676 4.168
247 HE2 GLU 36 HE GLU 36 -9.978 -1.240 6.110
248 H GLN 37 H GLN 37 -6.950 -5.043 2.437
249 HA GLN 37 HA GLN 37 -9.253 -6.806 2.269
250 HB2 GLN 37 2HB GLN 37 -8.170 -4.563 0.678
251 HB3 GLN 37 3HB GLN 37 -8.993 -5.833 -0.239
252 HG2 GLN 37 2HG GLN 37 -10.520 -4.033 0.282
253 HG3 GLN 37 3HG GLN 37 -11.001 -5.522 1.106
254 HE21 GLN 37 1HE2 GLN 37 -9.719 -2.321 1.498
255 HE22 GLN 37 2HE2 GLN 37 -9.940 -2.223 3.210
256 H CYS 38 H CYS 38 -5.895 -6.718 1.144
257 HA CYS 38 HA CYS 38 -6.438 -9.186 -0.355
258 HB2 CYS 38 2HB CYS 38 -4.954 -6.773 -1.371
259 HB3 CYS 38 3HB CYS 38 -4.976 -8.343 -2.188
260 H ASP 39 H ASP 39 -3.651 -7.107 0.626
261 HA ASP 39 HA ASP 39 -2.101 -9.607 0.891
262 HB2 ASP 39 2HB ASP 39 -1.241 -6.830 0.057
263 HB3 ASP 39 3HB ASP 39 -0.086 -8.077 0.547
264 HD2 ASP 39 HD ASP 39 -0.541 -9.866 -2.417
265 HA PRO 40 HA PRO 40 -2.428 -7.466 5.049
266 HB2 PRO 40 2HB PRO 40 -3.143 -9.654 6.529
267 HB3 PRO 40 3HB PRO 40 -4.300 -8.650 5.661
268 HG2 PRO 40 2HG PRO 40 -3.069 -11.261 4.874
269 HG3 PRO 40 3HG PRO 40 -4.776 -10.707 4.713
270 HD2 PRO 40 2HD PRO 40 -2.993 -10.750 2.643
271 HD3 PRO 40 3HD PRO 40 -4.330 -9.593 2.763
272 H ASN 41 H ASN 41 -0.580 -9.988 3.748
273 HA ASN 41 HA ASN 41 0.713 -10.669 6.255
274 HB2 ASN 41 2HB ASN 41 1.135 -11.809 3.487
275 HB3 ASN 41 3HB ASN 41 1.786 -12.462 4.998
276 HD21 ASN 41 1HD2 ASN 41 0.313 -13.294 6.567
277 HD22 ASN 41 2HD2 ASN 41 -1.237 -13.898 6.079
278 H ILE 42 H ILE 42 1.279 -8.364 3.877
279 HA ILE 42 HA ILE 42 4.182 -8.556 4.160
280 HB ILE 42 HB ILE 42 4.357 -6.705 2.601
281 HG12 ILE 42 2HG1 ILE 42 1.347 -6.682 2.761
282 HG13 ILE 42 3HG1 ILE 42 2.463 -5.359 3.137
283 HG21 ILE 42 1HG2 ILE 42 3.239 -7.758 0.637
284 HG22 ILE 42 2HG2 ILE 42 4.252 -8.843 1.595
285 HG23 ILE 42 3HG2 ILE 42 2.496 -8.901 1.754
286 HD11 ILE 42 3HD1 ILE 42 1.374 -4.986 1.006
287 HD12 ILE 42 1HD1 ILE 42 3.111 -5.221 0.787
288 HD13 ILE 42 2HD1 ILE 42 1.987 -6.526 0.403
289 H THR 43 H THR 43 5.300 -6.392 4.486
290 HA THR 43 HA THR 43 4.073 -4.967 6.754
291 HB THR 43 HB THR 43 6.452 -4.833 7.668
292 HG1 THR 43 1HG THR 43 7.000 -7.171 6.184
293 HG21 THR 43 3HG2 THR 43 5.103 -7.529 7.507
294 HG22 THR 43 1HG2 THR 43 4.813 -6.278 8.712
295 HG23 THR 43 2HG2 THR 43 6.370 -7.106 8.657
296 H ILE 44 H ILE 44 5.257 -2.806 7.157
297 HA ILE 44 HA ILE 44 5.595 -1.409 4.679
298 HB ILE 44 HB ILE 44 6.284 -0.481 7.486
299 HG12 ILE 44 2HG1 ILE 44 4.168 0.976 7.018
300 HG13 ILE 44 3HG1 ILE 44 3.772 -0.289 5.843
301 HG21 ILE 44 1HG2 ILE 44 6.023 1.076 4.919
302 HG22 ILE 44 2HG2 ILE 44 6.240 1.783 6.519
303 HG23 ILE 44 3HG2 ILE 44 7.507 0.774 5.821
304 HD11 ILE 44 3HD1 ILE 44 2.668 -0.627 8.008
305 HD12 ILE 44 1HD1 ILE 44 3.740 -1.958 7.579
306 HD13 ILE 44 2HD1 ILE 44 4.249 -0.766 8.776
307 H ALA 45 H ALA 45 7.371 -1.399 3.485
308 HA ALA 45 HA ALA 45 9.765 -2.684 4.469
309 HB1 ALA 45 1HB ALA 45 10.571 -2.512 2.182
310 HB2 ALA 45 2HB ALA 45 8.928 -3.155 2.215
311 HB3 ALA 45 3HB ALA 45 9.209 -1.472 1.763
312 H HIS 46 H HIS 46 8.888 0.516 3.215
313 HA HIS 46 HA HIS 46 10.635 1.825 5.001
314 HB2 HIS 46 2HB HIS 46 12.219 2.828 3.471
315 HB3 HIS 46 3HB HIS 46 12.347 1.069 3.387
316 HD1 HIS 46 1HD HIS 46 11.091 4.009 1.374
317 HD2 HIS 46 2HD HIS 46 11.915 -0.041 0.907
318 HE1 HIS 46 1HE HIS 46 10.988 3.576 -1.098
319 HE2 HIS 46 2HE HIS 46 11.721 1.178 -1.369
320 H MET 47 H MET 47 10.484 4.127 4.880
321 HA MET 47 HA MET 47 7.939 5.022 3.911
322 HB2 MET 47 2HB MET 47 10.262 6.554 5.112
323 HB3 MET 47 3HB MET 47 8.679 7.252 4.744
324 HG2 MET 47 2HG MET 47 9.232 5.043 6.727
325 HG3 MET 47 3HG MET 47 8.886 6.733 7.106
326 HE1 MET 47 3HE MET 47 6.600 7.462 5.016
327 HE2 MET 47 1HE MET 47 5.159 7.110 5.970
328 HE3 MET 47 2HE MET 47 6.542 7.906 6.720
329 H GLY 48 H GLY 48 7.711 6.847 2.406
330 HA2 GLY 48 2HA GLY 48 8.287 7.948 0.418
331 HA3 GLY 48 3HA GLY 48 9.869 7.155 0.487
332 H GLU 49 H GLU 49 8.234 7.318 -1.838
333 HA GLU 49 HA GLU 49 6.709 4.970 -2.189
334 HB2 GLU 49 2HB GLU 49 6.850 5.503 -4.622
335 HB3 GLU 49 3HB GLU 49 6.271 6.838 -3.616
336 HG2 GLU 49 2HG GLU 49 8.526 7.843 -3.685
337 HG3 GLU 49 3HG GLU 49 9.035 6.539 -4.767
338 HE2 GLU 49 HE GLU 49 7.136 9.577 -6.305
339 H CYS 50 H CYS 50 7.230 2.999 -2.892
340 HA CYS 50 HA CYS 50 9.828 2.054 -2.524
341 HB2 CYS 50 1HB CYS 50 7.474 0.864 -2.528
342 HB3 CYS 50 2HB CYS 50 7.936 0.487 -4.196
Start of MODEL 9
1 H1 ALA 1 1H ALA 1 -13.360 -8.569 -1.502
2 H2 ALA 1 2H ALA 1 -13.236 -7.120 -2.377
3 H3 ALA 1 3H ALA 1 -12.365 -7.322 -0.935
4 HA ALA 1 HA ALA 1 -11.971 -8.926 -3.392
5 HB1 ALA 1 2HB ALA 1 -11.249 -6.625 -3.756
6 HB2 ALA 1 3HB ALA 1 -10.282 -6.684 -2.282
7 HB3 ALA 1 1HB ALA 1 -9.857 -7.706 -3.658
8 H GLU 2 H GLU 2 -10.870 -10.754 -3.065
9 HA GLU 2 HA GLU 2 -9.413 -11.024 -0.521
10 HB2 GLU 2 2HB GLU 2 -10.797 -13.114 -2.209
11 HB3 GLU 2 3HB GLU 2 -9.711 -13.502 -0.865
12 HG2 GLU 2 2HG GLU 2 -11.155 -12.321 0.690
13 HG3 GLU 2 3HG GLU 2 -12.232 -11.878 -0.641
14 HE2 GLU 2 HE GLU 2 -12.353 -15.623 0.662
15 H ASP 3 H ASP 3 -9.350 -11.561 -3.983
16 HA ASP 3 HA ASP 3 -6.424 -11.852 -3.761
17 HB2 ASP 3 2HB ASP 3 -7.378 -13.915 -4.638
18 HB3 ASP 3 3HB ASP 3 -8.273 -13.007 -5.863
19 HD2 ASP 3 HD ASP 3 -5.474 -12.705 -7.900
20 H CYS 4 H CYS 4 -5.599 -9.950 -4.195
21 HA CYS 4 HA CYS 4 -5.929 -8.945 -6.874
22 HB2 CYS 4 2HB CYS 4 -6.411 -6.689 -6.307
23 HB3 CYS 4 3HB CYS 4 -7.618 -7.687 -5.483
24 H VAL 5 H VAL 5 -4.057 -7.916 -7.581
25 HA VAL 5 HA VAL 5 -1.902 -7.752 -5.599
26 HB VAL 5 HB VAL 5 -1.611 -9.851 -6.784
27 HG11 VAL 5 1HG1 VAL 5 -1.095 -9.881 -9.192
28 HG12 VAL 5 2HG1 VAL 5 -2.748 -9.364 -8.852
29 HG13 VAL 5 3HG1 VAL 5 -1.521 -8.172 -9.278
30 HG21 VAL 5 3HG2 VAL 5 0.386 -8.715 -6.065
31 HG22 VAL 5 1HG2 VAL 5 0.688 -9.498 -7.616
32 HG23 VAL 5 2HG2 VAL 5 0.416 -7.758 -7.546
33 H GLY 6 H GLY 6 -0.775 -5.931 -5.655
34 HA2 GLY 6 2HA GLY 6 0.496 -4.408 -7.192
35 HA3 GLY 6 3HA GLY 6 -1.051 -4.212 -8.030
36 H ARG 7 H ARG 7 -2.110 -2.445 -7.538
37 HA ARG 7 HA ARG 7 -1.915 -1.441 -4.782
38 HB2 ARG 7 2HB ARG 7 -1.853 0.866 -5.630
39 HB3 ARG 7 3HB ARG 7 -0.457 -0.069 -6.184
40 HG2 ARG 7 2HG ARG 7 -1.674 -0.451 -8.350
41 HG3 ARG 7 3HG ARG 7 -2.887 0.709 -7.779
42 HD2 ARG 7 2HD ARG 7 0.064 1.297 -8.106
43 HD3 ARG 7 3HD ARG 7 -1.201 1.726 -9.266
44 HE ARG 7 HE ARG 7 -1.394 2.757 -6.532
45 HH11 ARG 7 2HH1 ARG 7 -0.893 3.318 -9.953
46 HH12 ARG 7 1HH1 ARG 7 -0.955 5.051 -9.807
47 HH21 ARG 7 2HH2 ARG 7 -1.497 5.049 -6.346
48 HH22 ARG 7 1HH2 ARG 7 -1.343 6.031 -7.774
49 H LYS 8 H LYS 8 -3.812 -0.884 -3.872
50 HA LYS 8 HA LYS 8 -6.158 -0.587 -5.595
51 HB2 LYS 8 2HB LYS 8 -5.806 -0.913 -2.617
52 HB3 LYS 8 3HB LYS 8 -7.331 -0.327 -3.299
53 HG2 LYS 8 2HG LYS 8 -6.006 -2.975 -3.906
54 HG3 LYS 8 3HG LYS 8 -7.449 -2.711 -2.909
55 HD2 LYS 8 2HD LYS 8 -8.695 -1.895 -4.808
56 HD3 LYS 8 3HD LYS 8 -7.242 -1.965 -5.822
57 HE2 LYS 8 2HE LYS 8 -7.167 -4.427 -5.490
58 HE3 LYS 8 3HE LYS 8 -8.680 -4.308 -4.577
59 HZ1 LYS 8 3HZ LYS 8 -9.813 -3.513 -6.510
60 HZ2 LYS 8 1HZ LYS 8 -8.979 -4.927 -6.942
61 HZ3 LYS 8 2HZ LYS 8 -8.372 -3.408 -7.390
62 H ALA 9 H ALA 9 -6.983 1.394 -6.059
63 HA ALA 9 HA ALA 9 -5.012 3.437 -5.695
64 HB1 ALA 9 1HB ALA 9 -6.092 3.034 -7.851
65 HB2 ALA 9 2HB ALA 9 -7.631 3.572 -7.173
66 HB3 ALA 9 3HB ALA 9 -6.284 4.704 -7.312
67 H CYS 10 H CYS 10 -4.920 4.710 -4.046
68 HA CYS 10 HA CYS 10 -7.342 6.232 -3.352
69 HB2 CYS 10 2HB CYS 10 -4.987 5.562 -1.552
70 HB3 CYS 10 3HB CYS 10 -6.345 6.603 -1.103
71 H THR 11 H THR 11 -6.978 8.516 -3.271
72 HA THR 11 HA THR 11 -4.297 9.530 -3.666
73 HB THR 11 HB THR 11 -6.340 10.232 -5.778
74 HG1 THR 11 1HG THR 11 -4.694 7.981 -5.567
75 HG21 THR 11 3HG2 THR 11 -4.356 10.938 -7.019
76 HG22 THR 11 1HG2 THR 11 -3.327 10.410 -5.690
77 HG23 THR 11 2HG2 THR 11 -4.444 11.755 -5.458
78 H ARG 12 H ARG 12 -6.471 9.707 -1.757
79 HA ARG 12 HA ARG 12 -7.465 12.417 -1.876
80 HB2 ARG 12 2HB ARG 12 -8.479 11.920 0.268
81 HB3 ARG 12 3HB ARG 12 -8.732 10.541 -0.814
82 HG2 ARG 12 2HG ARG 12 -6.781 9.405 0.234
83 HG3 ARG 12 3HG ARG 12 -6.683 10.745 1.390
84 HD2 ARG 12 2HD ARG 12 -9.106 10.233 1.975
85 HD3 ARG 12 3HD ARG 12 -8.899 8.742 1.047
86 HE ARG 12 HE ARG 12 -6.803 8.791 2.844
87 HH11 ARG 12 2HH1 ARG 12 -10.297 8.675 2.919
88 HH12 ARG 12 1HH1 ARG 12 -10.382 7.992 4.519
89 HH21 ARG 12 2HH2 ARG 12 -6.889 7.925 4.987
90 HH22 ARG 12 1HH2 ARG 12 -8.437 7.585 5.699
91 H GLU 13 H GLU 13 -4.537 11.151 -1.321
92 HA GLU 13 HA GLU 13 -3.406 13.210 0.258
93 HB2 GLU 13 2HB GLU 13 -4.794 12.009 1.956
94 HB3 GLU 13 3HB GLU 13 -3.876 10.538 1.599
95 HG2 GLU 13 2HG GLU 13 -1.831 11.616 2.406
96 HG3 GLU 13 3HG GLU 13 -2.778 13.061 2.796
97 HE2 GLU 13 HE GLU 13 -3.438 9.840 5.040
98 H TRP 14 H TRP 14 -1.061 12.877 0.358
99 HA TRP 14 HA TRP 14 -0.198 10.419 -1.012
100 HB2 TRP 14 2HB TRP 14 -0.180 12.378 -2.570
101 HB3 TRP 14 3HB TRP 14 1.001 13.151 -1.512
102 HD1 TRP 14 1HD TRP 14 3.509 12.475 -1.768
103 HE1 TRP 14 1HE TRP 14 4.784 10.866 -3.328
104 HE3 TRP 14 3HE TRP 14 -0.471 10.013 -3.828
105 HZ2 TRP 14 2HZ TRP 14 4.180 8.829 -5.179
106 HZ3 TRP 14 3HZ TRP 14 -0.036 8.243 -5.479
107 HH2 TRP 14 2HH TRP 14 2.243 7.666 -6.140
108 H TYR 15 H TYR 15 0.447 9.469 0.900
109 HA TYR 15 HA TYR 15 3.079 10.434 1.741
110 HB2 TYR 15 2HB TYR 15 1.103 8.808 3.382
111 HB3 TYR 15 3HB TYR 15 2.782 9.093 3.839
112 HD1 TYR 15 1HD TYR 15 3.511 11.591 4.047
113 HD2 TYR 15 2HD TYR 15 -0.521 10.258 4.163
114 HE1 TYR 15 1HE TYR 15 2.865 13.658 5.212
115 HE2 TYR 15 2HE TYR 15 -1.176 12.317 5.321
116 HH TYR 15 HH TYR 15 -0.185 14.023 6.707
117 HA PRO 16 HA PRO 16 3.331 6.666 -0.619
118 HB2 PRO 16 2HB PRO 16 5.769 7.046 -1.716
119 HB3 PRO 16 3HB PRO 16 4.348 7.950 -2.238
120 HG2 PRO 16 2HG PRO 16 6.571 8.770 -0.411
121 HG3 PRO 16 3HG PRO 16 5.727 9.724 -1.687
122 HD2 PRO 16 2HD PRO 16 5.221 9.868 1.054
123 HD3 PRO 16 3HD PRO 16 4.107 10.377 -0.225
124 H VAL 17 H VAL 17 4.026 4.694 -0.055
125 HA VAL 17 HA VAL 17 6.419 4.416 1.597
126 HB VAL 17 HB VAL 17 5.359 2.897 3.177
127 HG11 VAL 17 1HG1 VAL 17 5.460 5.223 3.821
128 HG12 VAL 17 2HG1 VAL 17 3.919 5.538 3.024
129 HG13 VAL 17 3HG1 VAL 17 3.979 4.489 4.440
130 HG21 VAL 17 3HG2 VAL 17 2.942 2.594 3.283
131 HG22 VAL 17 1HG2 VAL 17 2.747 3.558 1.819
132 HG23 VAL 17 2HG2 VAL 17 3.591 2.011 1.752
133 H CYS 18 H CYS 18 6.756 1.935 1.939
134 HA CYS 18 HA CYS 18 6.139 0.591 -0.603
135 HB2 CYS 18 2HB CYS 18 8.452 1.273 -0.585
136 HB3 CYS 18 3HB CYS 18 8.700 0.522 1.001
137 H GLY 19 H GLY 19 5.170 -1.292 -0.438
138 HA2 GLY 19 2HA GLY 19 4.752 -2.512 2.170
139 HA3 GLY 19 3HA GLY 19 4.119 -3.080 0.618
140 H SER 20 H SER 20 5.498 -4.556 2.781
141 HA SER 20 HA SER 20 8.194 -4.974 2.277
142 HB2 SER 20 2HB SER 20 6.892 -5.648 4.331
143 HB3 SER 20 3HB SER 20 6.330 -7.054 3.412
144 HG SER 20 HG SER 20 8.184 -7.991 3.728
145 H ASP 21 H ASP 21 5.558 -6.038 0.405
146 HA ASP 21 HA ASP 21 6.832 -8.295 -0.813
147 HB2 ASP 21 2HB ASP 21 4.381 -7.989 -0.851
148 HB3 ASP 21 3HB ASP 21 4.584 -6.532 -1.834
149 HD2 ASP 21 HD ASP 21 4.722 -8.377 -4.720
150 H GLY 22 H GLY 22 7.478 -5.051 -0.862
151 HA2 GLY 22 2HA GLY 22 9.149 -3.941 -2.068
152 HA3 GLY 22 3HA GLY 22 9.109 -5.241 -3.268
153 H VAL 23 H VAL 23 6.214 -3.694 -2.097
154 HA VAL 23 HA VAL 23 5.760 -2.746 -4.846
155 HB VAL 23 HB VAL 23 4.194 -4.438 -4.250
156 HG11 VAL 23 1HG1 VAL 23 3.604 -2.835 -1.774
157 HG12 VAL 23 2HG1 VAL 23 2.711 -4.261 -2.302
158 HG13 VAL 23 3HG1 VAL 23 4.409 -4.400 -1.855
159 HG21 VAL 23 3HG2 VAL 23 2.833 -1.758 -4.008
160 HG22 VAL 23 1HG2 VAL 23 3.268 -2.567 -5.513
161 HG23 VAL 23 2HG2 VAL 23 2.055 -3.279 -4.450
162 H THR 24 H THR 24 5.096 -0.679 -5.252
163 HA THR 24 HA THR 24 5.620 1.284 -3.202
164 HB THR 24 HB THR 24 4.731 1.628 -6.073
165 HG1 THR 24 1HG THR 24 6.789 0.617 -5.815
166 HG21 THR 24 3HG2 THR 24 5.898 3.634 -4.142
167 HG22 THR 24 1HG2 THR 24 4.229 3.594 -4.712
168 HG23 THR 24 2HG2 THR 24 5.541 3.927 -5.845
169 H TYR 25 H TYR 25 4.119 2.110 -1.901
170 HA TYR 25 HA TYR 25 1.326 2.000 -2.763
171 HB2 TYR 25 2HB TYR 25 2.645 1.908 -0.068
172 HB3 TYR 25 3HB TYR 25 0.949 2.314 -0.245
173 HD1 TYR 25 1HD TYR 25 -0.308 0.656 -1.999
174 HD2 TYR 25 2HD TYR 25 3.040 -0.324 0.419
175 HE1 TYR 25 1HE TYR 25 -0.896 -1.722 -2.177
176 HE2 TYR 25 2HE TYR 25 2.466 -2.706 0.254
177 HH TYR 25 HH TYR 25 0.028 -3.999 -0.237
178 H SER 26 H SER 26 0.101 3.719 -2.801
179 HA SER 26 HA SER 26 1.359 6.212 -3.272
180 HB2 SER 26 2HB SER 26 -1.591 5.552 -3.031
181 HB3 SER 26 3HB SER 26 -0.888 6.958 -3.848
182 HG SER 26 HG SER 26 0.327 4.955 -4.929
183 H ASN 27 H ASN 27 -0.373 4.882 -0.534
184 HA ASN 27 HA ASN 27 0.372 6.901 1.247
185 HB2 ASN 27 2HB ASN 27 -1.858 7.963 1.635
186 HB3 ASN 27 3HB ASN 27 -1.142 8.368 0.070
187 HD21 ASN 27 1HD2 ASN 27 -3.017 8.875 -0.935
188 HD22 ASN 27 2HD2 ASN 27 -4.230 7.703 -1.326
189 HA PRO 28 HA PRO 28 -1.044 4.121 4.407
190 HB2 PRO 28 2HB PRO 28 -3.093 5.627 5.683
191 HB3 PRO 28 3HB PRO 28 -1.392 5.538 6.132
192 HG2 PRO 28 2HG PRO 28 -2.823 7.553 4.463
193 HG3 PRO 28 3HG PRO 28 -1.472 7.782 5.635
194 HD2 PRO 28 2HD PRO 28 -1.036 7.893 3.000
195 HD3 PRO 28 3HD PRO 28 0.116 7.087 4.080
196 H CYS 29 H CYS 29 -3.752 5.849 2.859
197 HA CYS 29 HA CYS 29 -5.779 3.988 3.256
198 HB2 CYS 29 2HB CYS 29 -6.160 6.213 2.321
199 HB3 CYS 29 3HB CYS 29 -5.283 5.764 0.849
200 H ASN 30 H ASN 30 -3.492 4.259 0.586
201 HA ASN 30 HA ASN 30 -4.412 2.058 -0.898
202 HB2 ASN 30 2HB ASN 30 -3.099 3.837 -1.877
203 HB3 ASN 30 3HB ASN 30 -1.731 3.456 -0.824
204 HD21 ASN 30 1HD2 ASN 30 -3.559 0.876 -2.269
205 HD22 ASN 30 2HD2 ASN 30 -2.350 0.433 -3.418
206 H PHE 31 H PHE 31 -1.734 2.317 1.454
207 HA PHE 31 HA PHE 31 -0.916 -0.376 1.230
208 HB2 PHE 31 1HB PHE 31 0.579 1.277 2.178
209 HB3 PHE 31 2HB PHE 31 -0.560 1.611 3.484
210 HD1 PHE 31 1HD PHE 31 -0.841 0.069 5.343
211 HD2 PHE 31 2HD PHE 31 2.003 -0.724 2.270
212 HE1 PHE 31 1HE PHE 31 0.252 -1.596 6.778
213 HE2 PHE 31 2HE PHE 31 3.094 -2.387 3.708
214 HZ PHE 31 HZ PHE 31 2.219 -2.830 5.960
215 H SER 32 H SER 32 -3.112 1.250 3.502
216 HA SER 32 HA SER 32 -3.534 -0.988 5.154
217 HB2 SER 32 2HB SER 32 -4.054 1.261 5.912
218 HB3 SER 32 3HB SER 32 -5.284 1.426 4.649
219 HG SER 32 HG SER 32 -6.145 -0.627 5.785
220 H ALA 33 H ALA 33 -5.488 0.316 2.467
221 HA ALA 33 HA ALA 33 -7.556 -1.597 2.748
222 HB1 ALA 33 1HB ALA 33 -6.830 0.062 0.334
223 HB2 ALA 33 2HB ALA 33 -8.355 -0.789 0.589
224 HB3 ALA 33 3HB ALA 33 -7.908 0.553 1.641
225 H GLN 34 H GLN 34 -4.726 -1.405 0.634
226 HA GLN 34 HA GLN 34 -5.338 -3.689 -0.898
227 HB2 GLN 34 2HB GLN 34 -3.722 -1.997 -1.619
228 HB3 GLN 34 3HB GLN 34 -2.649 -2.449 -0.287
229 HG2 GLN 34 2HG GLN 34 -1.872 -3.410 -2.369
230 HG3 GLN 34 3HG GLN 34 -2.380 -4.675 -1.242
231 HE21 GLN 34 1HE2 GLN 34 -2.150 -4.869 -4.102
232 HE22 GLN 34 2HE2 GLN 34 -3.720 -5.297 -4.680
233 H GLN 35 H GLN 35 -3.616 -3.233 2.117
234 HA GLN 35 HA GLN 35 -2.634 -5.907 2.243
235 HB2 GLN 35 2HB GLN 35 -2.616 -3.495 3.957
236 HB3 GLN 35 3HB GLN 35 -2.457 -5.047 4.790
237 HG2 GLN 35 2HG GLN 35 -0.309 -3.893 4.231
238 HG3 GLN 35 3HG GLN 35 -0.445 -5.559 3.666
239 HE21 GLN 35 1HE2 GLN 35 1.183 -3.271 2.861
240 HE22 GLN 35 2HE2 GLN 35 0.995 -3.178 1.150
241 H GLU 36 H GLU 36 -5.282 -4.167 3.900
242 HA GLU 36 HA GLU 36 -6.031 -6.382 5.485
243 HB2 GLU 36 2HB GLU 36 -8.052 -5.139 6.015
244 HB3 GLU 36 3HB GLU 36 -6.636 -4.076 6.062
245 HG2 GLU 36 2HG GLU 36 -7.213 -3.258 3.798
246 HG3 GLU 36 3HG GLU 36 -8.681 -4.246 3.864
247 HE2 GLU 36 HE GLU 36 -10.311 -1.955 5.842
248 H GLN 37 H GLN 37 -6.795 -5.516 2.196
249 HA GLN 37 HA GLN 37 -8.975 -7.453 2.108
250 HB2 GLN 37 2HB GLN 37 -7.831 -5.643 -0.022
251 HB3 GLN 37 3HB GLN 37 -9.229 -6.709 -0.241
252 HG2 GLN 37 2HG GLN 37 -10.532 -5.469 1.323
253 HG3 GLN 37 3HG GLN 37 -9.119 -4.528 1.826
254 HE21 GLN 37 1HE2 GLN 37 -8.146 -4.312 -0.929
255 HE22 GLN 37 2HE2 GLN 37 -9.149 -3.139 -1.701
256 H CYS 38 H CYS 38 -5.618 -7.185 1.013
257 HA CYS 38 HA CYS 38 -6.047 -9.721 -0.387
258 HB2 CYS 38 2HB CYS 38 -4.632 -7.282 -1.395
259 HB3 CYS 38 3HB CYS 38 -4.429 -8.880 -2.137
260 H ASP 39 H ASP 39 -3.294 -7.686 0.814
261 HA ASP 39 HA ASP 39 -2.165 -10.239 1.756
262 HB2 ASP 39 2HB ASP 39 -1.078 -9.358 -0.416
263 HB3 ASP 39 3HB ASP 39 -0.356 -8.123 0.626
264 HD2 ASP 39 HD ASP 39 1.261 -10.914 2.409
265 HA PRO 40 HA PRO 40 -2.242 -7.247 5.215
266 HB2 PRO 40 2HB PRO 40 -2.822 -9.575 6.886
267 HB3 PRO 40 3HB PRO 40 -3.816 -8.156 6.559
268 HG2 PRO 40 2HG PRO 40 -4.358 -10.678 5.647
269 HG3 PRO 40 3HG PRO 40 -4.923 -9.171 4.836
270 HD2 PRO 40 2HD PRO 40 -2.655 -11.008 4.140
271 HD3 PRO 40 3HD PRO 40 -3.778 -10.139 3.077
272 H ASN 41 H ASN 41 -0.320 -9.895 4.403
273 HA ASN 41 HA ASN 41 0.862 -10.297 7.006
274 HB2 ASN 41 2HB ASN 41 1.755 -11.522 4.397
275 HB3 ASN 41 3HB ASN 41 2.007 -12.143 6.033
276 HD21 ASN 41 1HD2 ASN 41 -0.196 -11.848 3.401
277 HD22 ASN 41 2HD2 ASN 41 -1.409 -12.922 4.023
278 H ILE 42 H ILE 42 1.532 -8.231 4.374
279 HA ILE 42 HA ILE 42 4.396 -8.255 4.856
280 HB ILE 42 HB ILE 42 4.684 -6.742 3.075
281 HG12 ILE 42 2HG1 ILE 42 1.707 -6.254 3.169
282 HG13 ILE 42 3HG1 ILE 42 2.972 -5.113 3.650
283 HG21 ILE 42 1HG2 ILE 42 2.390 -8.549 2.347
284 HG22 ILE 42 2HG2 ILE 42 3.492 -7.767 1.214
285 HG23 ILE 42 3HG2 ILE 42 4.103 -8.980 2.340
286 HD11 ILE 42 3HD1 ILE 42 3.781 -4.974 1.386
287 HD12 ILE 42 1HD1 ILE 42 2.612 -6.190 0.867
288 HD13 ILE 42 2HD1 ILE 42 2.055 -4.615 1.441
289 H THR 43 H THR 43 5.580 -6.384 5.402
290 HA THR 43 HA THR 43 4.151 -4.575 7.234
291 HB THR 43 HB THR 43 6.490 -4.233 8.201
292 HG1 THR 43 1HG THR 43 7.302 -6.715 7.323
293 HG21 THR 43 3HG2 THR 43 4.806 -5.573 9.344
294 HG22 THR 43 1HG2 THR 43 6.403 -6.300 9.526
295 HG23 THR 43 2HG2 THR 43 5.251 -6.979 8.377
296 H ILE 44 H ILE 44 5.187 -2.338 7.383
297 HA ILE 44 HA ILE 44 5.627 -1.247 4.787
298 HB ILE 44 HB ILE 44 6.146 -0.008 7.507
299 HG12 ILE 44 2HG1 ILE 44 4.082 1.388 6.721
300 HG13 ILE 44 3HG1 ILE 44 3.777 0.007 5.657
301 HG21 ILE 44 1HG2 ILE 44 7.504 1.085 5.834
302 HG22 ILE 44 2HG2 ILE 44 6.104 1.274 4.778
303 HG23 ILE 44 3HG2 ILE 44 6.178 2.147 6.310
304 HD11 ILE 44 3HD1 ILE 44 3.992 -0.138 8.655
305 HD12 ILE 44 1HD1 ILE 44 2.490 -0.130 7.729
306 HD13 ILE 44 2HD1 ILE 44 3.620 -1.476 7.566
307 H ALA 45 H ALA 45 7.427 -1.368 3.663
308 HA ALA 45 HA ALA 45 9.842 -2.415 4.802
309 HB1 ALA 45 1HB ALA 45 10.718 -2.282 2.531
310 HB2 ALA 45 2HB ALA 45 9.107 -3.002 2.534
311 HB3 ALA 45 3HB ALA 45 9.323 -1.323 2.034
312 H HIS 46 H HIS 46 8.893 0.633 3.300
313 HA HIS 46 HA HIS 46 10.341 2.203 5.142
314 HB2 HIS 46 2HB HIS 46 12.011 3.200 3.704
315 HB3 HIS 46 3HB HIS 46 12.260 1.453 3.734
316 HD1 HIS 46 1HD HIS 46 11.283 4.241 1.441
317 HD2 HIS 46 2HD HIS 46 11.839 0.121 1.314
318 HE1 HIS 46 1HE HIS 46 11.300 3.634 -1.000
319 HE2 HIS 46 2HE HIS 46 11.905 1.185 -1.042
320 H MET 47 H MET 47 9.984 4.479 4.791
321 HA MET 47 HA MET 47 7.599 5.054 3.291
322 HB2 MET 47 2HB MET 47 8.229 6.150 5.473
323 HB3 MET 47 3HB MET 47 9.500 7.011 4.594
324 HG2 MET 47 2HG MET 47 7.889 8.157 3.234
325 HG3 MET 47 3HG MET 47 6.579 7.189 3.914
326 HE1 MET 47 3HE MET 47 6.421 10.347 3.809
327 HE2 MET 47 1HE MET 47 5.168 9.318 4.502
328 HE3 MET 47 2HE MET 47 5.787 10.692 5.417
329 H GLY 48 H GLY 48 7.461 6.226 1.388
330 HA2 GLY 48 2HA GLY 48 8.518 7.420 -0.445
331 HA3 GLY 48 3HA GLY 48 10.010 6.545 -0.067
332 H GLU 49 H GLU 49 8.956 6.579 -2.635
333 HA GLU 49 HA GLU 49 7.267 4.304 -3.070
334 HB2 GLU 49 2HB GLU 49 7.667 4.786 -5.484
335 HB3 GLU 49 3HB GLU 49 7.048 6.160 -4.556
336 HG2 GLU 49 2HG GLU 49 9.433 6.964 -4.363
337 HG3 GLU 49 3HG GLU 49 9.843 5.725 -5.557
338 HE2 GLU 49 HE GLU 49 8.340 7.520 -8.137
339 H CYS 50 H CYS 50 7.794 2.378 -4.177
340 HA CYS 50 HA CYS 50 10.570 1.547 -3.725
341 HB2 CYS 50 1HB CYS 50 8.041 0.378 -3.104
342 HB3 CYS 50 2HB CYS 50 8.906 -0.696 -4.216
Start of MODEL 10
1 H1 ALA 1 1H ALA 1 -13.290 -9.484 -1.243
2 H2 ALA 1 2H ALA 1 -13.491 -8.316 -2.457
3 H3 ALA 1 3H ALA 1 -12.426 -8.030 -1.172
4 HA ALA 1 HA ALA 1 -12.122 -10.146 -3.217
5 HB1 ALA 1 2HB ALA 1 -10.257 -8.832 -4.062
6 HB2 ALA 1 3HB ALA 1 -11.749 -7.893 -4.125
7 HB3 ALA 1 1HB ALA 1 -10.566 -7.586 -2.855
8 H GLU 2 H GLU 2 -10.744 -11.724 -2.675
9 HA GLU 2 HA GLU 2 -9.021 -11.263 -0.334
10 HB2 GLU 2 2HB GLU 2 -8.845 -13.755 -0.180
11 HB3 GLU 2 3HB GLU 2 -10.467 -13.115 0.116
12 HG2 GLU 2 2HG GLU 2 -9.752 -14.058 -2.627
13 HG3 GLU 2 3HG GLU 2 -10.114 -15.237 -1.358
14 HE2 GLU 2 HE GLU 2 -13.481 -14.180 -1.222
15 H ASP 3 H ASP 3 -9.102 -11.925 -3.713
16 HA ASP 3 HA ASP 3 -6.157 -12.022 -3.659
17 HB2 ASP 3 2HB ASP 3 -8.112 -13.423 -5.467
18 HB3 ASP 3 3HB ASP 3 -6.474 -13.059 -6.028
19 HD2 ASP 3 HD ASP 3 -5.066 -15.395 -3.846
20 H CYS 4 H CYS 4 -5.432 -10.129 -4.128
21 HA CYS 4 HA CYS 4 -6.088 -8.914 -6.651
22 HB2 CYS 4 2HB CYS 4 -6.094 -6.653 -5.183
23 HB3 CYS 4 3HB CYS 4 -7.569 -7.518 -5.649
24 H VAL 5 H VAL 5 -4.254 -8.134 -7.560
25 HA VAL 5 HA VAL 5 -1.901 -7.929 -5.804
26 HB VAL 5 HB VAL 5 -2.067 -9.156 -8.557
27 HG11 VAL 5 1HG1 VAL 5 -0.017 -7.890 -8.318
28 HG12 VAL 5 2HG1 VAL 5 0.339 -8.719 -6.803
29 HG13 VAL 5 3HG1 VAL 5 0.318 -9.621 -8.321
30 HG21 VAL 5 3HG2 VAL 5 -1.328 -11.209 -7.429
31 HG22 VAL 5 1HG2 VAL 5 -1.399 -10.373 -5.877
32 HG23 VAL 5 2HG2 VAL 5 -2.876 -10.636 -6.807
33 H GLY 6 H GLY 6 -0.890 -6.064 -5.891
34 HA2 GLY 6 2HA GLY 6 0.348 -4.635 -7.600
35 HA3 GLY 6 3HA GLY 6 -1.271 -4.353 -8.263
36 H ARG 7 H ARG 7 -1.611 -2.244 -7.835
37 HA ARG 7 HA ARG 7 -1.641 -1.572 -4.976
38 HB2 ARG 7 2HB ARG 7 -1.113 0.745 -5.455
39 HB3 ARG 7 3HB ARG 7 0.166 -0.306 -6.083
40 HG2 ARG 7 2HG ARG 7 -2.040 0.641 -7.884
41 HG3 ARG 7 3HG ARG 7 -0.657 1.686 -7.509
42 HD2 ARG 7 2HD ARG 7 0.886 -0.016 -8.342
43 HD3 ARG 7 3HD ARG 7 -0.480 -1.090 -8.674
44 HE ARG 7 HE ARG 7 -1.218 0.841 -10.214
45 HH11 ARG 7 2HH1 ARG 7 2.121 -0.048 -9.596
46 HH12 ARG 7 1HH1 ARG 7 2.660 0.423 -11.178
47 HH21 ARG 7 2HH2 ARG 7 -0.508 1.468 -12.269
48 HH22 ARG 7 1HH2 ARG 7 1.169 1.298 -12.702
49 H LYS 8 H LYS 8 -3.467 -0.778 -4.216
50 HA LYS 8 HA LYS 8 -5.686 -0.335 -6.065
51 HB2 LYS 8 2HB LYS 8 -6.163 -1.838 -4.250
52 HB3 LYS 8 3HB LYS 8 -5.515 -0.692 -3.067
53 HG2 LYS 8 2HG LYS 8 -7.935 -0.767 -2.969
54 HG3 LYS 8 3HG LYS 8 -7.372 0.824 -3.500
55 HD2 LYS 8 2HD LYS 8 -7.849 0.217 -5.839
56 HD3 LYS 8 3HD LYS 8 -8.412 -1.375 -5.300
57 HE2 LYS 8 2HE LYS 8 -10.304 0.110 -5.706
58 HE3 LYS 8 3HE LYS 8 -10.186 -0.310 -3.992
59 HZ1 LYS 8 3HZ LYS 8 -10.644 2.040 -4.281
60 HZ2 LYS 8 1HZ LYS 8 -9.249 2.231 -5.225
61 HZ3 LYS 8 2HZ LYS 8 -9.118 1.828 -3.579
62 H ALA 9 H ALA 9 -6.301 1.673 -6.561
63 HA ALA 9 HA ALA 9 -4.542 3.759 -5.723
64 HB1 ALA 9 1HB ALA 9 -6.929 3.913 -7.545
65 HB2 ALA 9 2HB ALA 9 -5.646 5.114 -7.390
66 HB3 ALA 9 3HB ALA 9 -5.284 3.515 -8.042
67 H CYS 10 H CYS 10 -4.754 5.018 -4.100
68 HA CYS 10 HA CYS 10 -7.389 6.094 -3.395
69 HB2 CYS 10 2HB CYS 10 -6.881 4.459 -1.684
70 HB3 CYS 10 3HB CYS 10 -5.243 5.104 -1.487
71 H THR 11 H THR 11 -7.244 8.333 -2.651
72 HA THR 11 HA THR 11 -4.668 9.636 -2.968
73 HB THR 11 HB THR 11 -5.911 11.207 -4.722
74 HG1 THR 11 1HG THR 11 -6.840 8.793 -5.762
75 HG21 THR 11 3HG2 THR 11 -4.781 9.981 -6.523
76 HG22 THR 11 1HG2 THR 11 -4.573 8.597 -5.448
77 HG23 THR 11 2HG2 THR 11 -3.757 10.118 -5.095
78 H ARG 12 H ARG 12 -6.353 9.564 -0.739
79 HA ARG 12 HA ARG 12 -7.649 12.153 -0.588
80 HB2 ARG 12 2HB ARG 12 -8.094 11.593 1.742
81 HB3 ARG 12 3HB ARG 12 -8.534 10.238 0.692
82 HG2 ARG 12 2HG ARG 12 -6.393 9.133 1.259
83 HG3 ARG 12 3HG ARG 12 -6.054 10.458 2.384
84 HD2 ARG 12 2HD ARG 12 -8.148 9.928 3.601
85 HD3 ARG 12 3HD ARG 12 -8.387 8.554 2.512
86 HE ARG 12 HE ARG 12 -5.835 8.379 3.709
87 HH11 ARG 12 2HH1 ARG 12 -9.240 7.977 4.431
88 HH12 ARG 12 1HH1 ARG 12 -8.961 6.897 5.771
89 HH21 ARG 12 2HH2 ARG 12 -5.468 6.945 5.465
90 HH22 ARG 12 1HH2 ARG 12 -6.825 6.290 6.339
91 H GLU 13 H GLU 13 -4.577 10.908 -0.353
92 HA GLU 13 HA GLU 13 -3.305 13.365 0.238
93 HB2 GLU 13 2HB GLU 13 -4.020 12.685 2.549
94 HB3 GLU 13 3HB GLU 13 -3.083 11.196 2.348
95 HG2 GLU 13 2HG GLU 13 -1.032 12.546 2.083
96 HG3 GLU 13 3HG GLU 13 -1.991 13.998 2.397
97 HE2 GLU 13 HE GLU 13 -0.833 11.831 5.443
98 H TRP 14 H TRP 14 -0.978 13.125 -0.194
99 HA TRP 14 HA TRP 14 -0.328 10.435 -1.212
100 HB2 TRP 14 2HB TRP 14 -0.572 12.122 -3.010
101 HB3 TRP 14 3HB TRP 14 0.697 13.086 -2.253
102 HD1 TRP 14 1HD TRP 14 3.219 12.278 -2.522
103 HE1 TRP 14 1HE TRP 14 4.344 10.587 -4.104
104 HE3 TRP 14 3HE TRP 14 -0.956 9.872 -4.231
105 HZ2 TRP 14 2HZ TRP 14 3.562 8.505 -5.839
106 HZ3 TRP 14 3HZ TRP 14 -0.678 8.044 -5.851
107 HH2 TRP 14 2HH TRP 14 1.533 7.376 -6.638
108 H TYR 15 H TYR 15 0.584 9.784 0.725
109 HA TYR 15 HA TYR 15 3.343 10.706 0.933
110 HB2 TYR 15 2HB TYR 15 1.423 9.999 3.125
111 HB3 TYR 15 3HB TYR 15 3.108 9.508 3.309
112 HD1 TYR 15 1HD TYR 15 1.039 12.521 2.571
113 HD2 TYR 15 2HD TYR 15 4.680 10.991 4.143
114 HE1 TYR 15 1HE TYR 15 1.656 14.778 3.322
115 HE2 TYR 15 2HE TYR 15 5.308 13.244 4.901
116 HH TYR 15 HH TYR 15 3.114 15.834 4.990
117 HA PRO 16 HA PRO 16 3.073 6.617 -0.762
118 HB2 PRO 16 2HB PRO 16 5.330 6.647 -2.226
119 HB3 PRO 16 3HB PRO 16 3.916 7.608 -2.660
120 HG2 PRO 16 2HG PRO 16 6.418 8.438 -1.233
121 HG3 PRO 16 3HG PRO 16 5.525 9.279 -2.555
122 HD2 PRO 16 2HD PRO 16 5.325 9.909 0.136
123 HD3 PRO 16 3HD PRO 16 4.077 10.245 -1.076
124 H VAL 17 H VAL 17 3.813 4.643 -0.191
125 HA VAL 17 HA VAL 17 6.305 4.453 1.344
126 HB VAL 17 HB VAL 17 5.310 2.979 3.002
127 HG11 VAL 17 1HG1 VAL 17 3.755 5.551 2.822
128 HG12 VAL 17 2HG1 VAL 17 4.020 4.584 4.274
129 HG13 VAL 17 3HG1 VAL 17 5.383 5.375 3.480
130 HG21 VAL 17 3HG2 VAL 17 2.921 2.613 3.176
131 HG22 VAL 17 1HG2 VAL 17 2.648 3.567 1.718
132 HG23 VAL 17 2HG2 VAL 17 3.520 2.037 1.621
133 H CYS 18 H CYS 18 6.566 1.913 1.831
134 HA CYS 18 HA CYS 18 5.903 0.489 -0.653
135 HB2 CYS 18 2HB CYS 18 8.263 1.354 -0.572
136 HB3 CYS 18 3HB CYS 18 8.538 0.271 0.802
137 H GLY 19 H GLY 19 5.064 -1.468 -0.370
138 HA2 GLY 19 2HA GLY 19 4.662 -2.503 2.301
139 HA3 GLY 19 3HA GLY 19 4.125 -3.243 0.786
140 H SER 20 H SER 20 5.383 -4.550 3.026
141 HA SER 20 HA SER 20 8.142 -4.820 2.840
142 HB2 SER 20 2HB SER 20 6.806 -5.468 4.803
143 HB3 SER 20 3HB SER 20 6.162 -6.844 3.889
144 HG SER 20 HG SER 20 8.615 -7.262 3.613
145 H ASP 21 H ASP 21 5.798 -6.136 0.720
146 HA ASP 21 HA ASP 21 7.458 -8.325 -0.154
147 HB2 ASP 21 2HB ASP 21 4.970 -8.349 -0.388
148 HB3 ASP 21 3HB ASP 21 5.111 -7.052 -1.583
149 HD2 ASP 21 HD ASP 21 5.938 -9.263 -4.081
150 H GLY 22 H GLY 22 7.649 -5.039 -0.453
151 HA2 GLY 22 2HA GLY 22 9.268 -3.845 -1.680
152 HA3 GLY 22 3HA GLY 22 9.369 -5.202 -2.811
153 H VAL 23 H VAL 23 6.346 -3.784 -1.720
154 HA VAL 23 HA VAL 23 5.789 -3.235 -4.557
155 HB VAL 23 HB VAL 23 4.367 -4.937 -3.699
156 HG11 VAL 23 1HG1 VAL 23 2.902 -4.636 -1.776
157 HG12 VAL 23 2HG1 VAL 23 4.604 -4.493 -1.328
158 HG13 VAL 23 3HG1 VAL 23 3.609 -3.044 -1.486
159 HG21 VAL 23 3HG2 VAL 23 3.290 -3.368 -5.209
160 HG22 VAL 23 1HG2 VAL 23 2.138 -3.966 -4.014
161 HG23 VAL 23 2HG2 VAL 23 2.824 -2.351 -3.845
162 H THR 24 H THR 24 4.914 -1.326 -5.224
163 HA THR 24 HA THR 24 5.499 0.970 -3.605
164 HB THR 24 HB THR 24 4.058 1.114 -6.220
165 HG1 THR 24 1HG THR 24 6.839 0.782 -6.330
166 HG21 THR 24 3HG2 THR 24 5.545 3.002 -6.588
167 HG22 THR 24 1HG2 THR 24 6.388 2.649 -5.081
168 HG23 THR 24 2HG2 THR 24 4.702 3.164 -5.048
169 H TYR 25 H TYR 25 4.068 1.881 -2.251
170 HA TYR 25 HA TYR 25 1.232 1.739 -2.958
171 HB2 TYR 25 2HB TYR 25 2.650 1.737 -0.307
172 HB3 TYR 25 3HB TYR 25 0.955 2.164 -0.455
173 HD1 TYR 25 2HD TYR 25 -0.233 0.405 -2.289
174 HD2 TYR 25 1HD TYR 25 2.885 -0.438 0.473
175 HE1 TYR 25 2HE TYR 25 -0.850 -1.966 -2.338
176 HE2 TYR 25 1HE TYR 25 2.282 -2.821 0.422
177 HH TYR 25 HH TYR 25 -0.041 -4.137 -0.149
178 H SER 26 H SER 26 0.089 3.528 -3.088
179 HA SER 26 HA SER 26 1.453 5.923 -3.698
180 HB2 SER 26 2HB SER 26 -1.517 5.494 -3.268
181 HB3 SER 26 3HB SER 26 -0.759 6.796 -4.198
182 HG SER 26 HG SER 26 -0.957 4.053 -4.815
183 H ASN 27 H ASN 27 0.012 4.750 -0.785
184 HA ASN 27 HA ASN 27 0.798 6.850 0.864
185 HB2 ASN 27 2HB ASN 27 -1.451 7.890 1.327
186 HB3 ASN 27 3HB ASN 27 -0.770 8.293 -0.254
187 HD21 ASN 27 1HD2 ASN 27 -2.831 8.810 -1.014
188 HD22 ASN 27 2HD2 ASN 27 -3.966 7.571 -1.448
189 HA PRO 28 HA PRO 28 -0.508 4.232 4.212
190 HB2 PRO 28 2HB PRO 28 -2.587 6.226 5.070
191 HB3 PRO 28 3HB PRO 28 -1.349 5.395 6.015
192 HG2 PRO 28 2HG PRO 28 -1.059 7.934 5.264
193 HG3 PRO 28 3HG PRO 28 0.344 6.804 5.283
194 HD2 PRO 28 2HD PRO 28 -1.218 7.903 2.982
195 HD3 PRO 28 3HD PRO 28 0.501 7.485 3.093
196 H CYS 29 H CYS 29 -3.445 5.816 2.862
197 HA CYS 29 HA CYS 29 -5.176 3.726 3.598
198 HB2 CYS 29 2HB CYS 29 -6.741 4.708 1.893
199 HB3 CYS 29 3HB CYS 29 -6.154 5.828 3.133
200 H ASN 30 H ASN 30 -3.214 4.234 0.751
201 HA ASN 30 HA ASN 30 -4.221 2.146 -0.850
202 HB2 ASN 30 2HB ASN 30 -2.578 3.981 -1.500
203 HB3 ASN 30 3HB ASN 30 -1.332 3.025 -0.692
204 HD21 ASN 30 1HD2 ASN 30 -2.757 0.511 -1.670
205 HD22 ASN 30 2HD2 ASN 30 -2.234 0.387 -3.314
206 H PHE 31 H PHE 31 -1.616 2.221 1.567
207 HA PHE 31 HA PHE 31 -0.910 -0.505 1.361
208 HB2 PHE 31 1HB PHE 31 0.608 1.140 2.318
209 HB3 PHE 31 2HB PHE 31 -0.535 1.483 3.616
210 HD1 PHE 31 2HD PHE 31 -0.942 -0.193 5.400
211 HD2 PHE 31 1HD PHE 31 2.115 -0.741 2.477
212 HE1 PHE 31 2HE PHE 31 0.138 -1.868 6.839
213 HE2 PHE 31 1HE PHE 31 3.198 -2.401 3.923
214 HZ PHE 31 HZ PHE 31 2.212 -2.973 6.101
215 H SER 32 H SER 32 -3.045 1.261 3.585
216 HA SER 32 HA SER 32 -3.644 -0.906 5.255
217 HB2 SER 32 2HB SER 32 -5.319 1.550 4.658
218 HB3 SER 32 3HB SER 32 -5.522 0.469 6.049
219 HG SER 32 HG SER 32 -4.095 2.561 6.098
220 H ALA 33 H ALA 33 -5.479 0.397 2.479
221 HA ALA 33 HA ALA 33 -7.617 -1.451 2.714
222 HB1 ALA 33 1HB ALA 33 -8.291 -0.667 0.518
223 HB2 ALA 33 2HB ALA 33 -7.801 0.696 1.528
224 HB3 ALA 33 3HB ALA 33 -6.713 0.082 0.280
225 H GLN 34 H GLN 34 -4.689 -1.385 0.726
226 HA GLN 34 HA GLN 34 -5.343 -3.697 -0.772
227 HB2 GLN 34 2HB GLN 34 -3.670 -1.915 -1.406
228 HB3 GLN 34 3HB GLN 34 -2.571 -2.637 -0.221
229 HG2 GLN 34 2HG GLN 34 -1.945 -3.508 -2.317
230 HG3 GLN 34 3HG GLN 34 -2.806 -4.800 -1.469
231 HE21 GLN 34 1HE2 GLN 34 -2.426 -4.659 -4.250
232 HE22 GLN 34 2HE2 GLN 34 -3.980 -4.535 -4.989
233 H GLN 35 H GLN 35 -3.680 -3.160 2.267
234 HA GLN 35 HA GLN 35 -2.684 -5.836 2.424
235 HB2 GLN 35 2HB GLN 35 -2.622 -3.402 4.089
236 HB3 GLN 35 3HB GLN 35 -2.503 -4.936 4.959
237 HG2 GLN 35 2HG GLN 35 -0.321 -3.895 4.401
238 HG3 GLN 35 3HG GLN 35 -0.522 -5.545 3.806
239 HE21 GLN 35 1HE2 GLN 35 1.191 -3.317 3.051
240 HE22 GLN 35 2HE2 GLN 35 1.019 -3.185 1.342
241 H GLU 36 H GLU 36 -5.484 -4.114 3.711
242 HA GLU 36 HA GLU 36 -6.240 -6.213 5.470
243 HB2 GLU 36 2HB GLU 36 -8.303 -5.037 5.807
244 HB3 GLU 36 3HB GLU 36 -6.999 -3.845 5.714
245 HG2 GLU 36 2HG GLU 36 -7.617 -3.210 3.495
246 HG3 GLU 36 3HG GLU 36 -8.788 -4.532 3.402
247 HE2 GLU 36 HE GLU 36 -11.142 -2.782 5.272
248 H GLN 37 H GLN 37 -6.845 -5.570 2.079
249 HA GLN 37 HA GLN 37 -8.808 -7.756 2.026
250 HB2 GLN 37 2HB GLN 37 -8.101 -5.597 0.047
251 HB3 GLN 37 3HB GLN 37 -9.204 -6.931 -0.326
252 HG2 GLN 37 2HG GLN 37 -10.835 -6.186 1.144
253 HG3 GLN 37 3HG GLN 37 -9.685 -5.199 2.059
254 HE21 GLN 37 1HE2 GLN 37 -8.433 -4.026 -0.234
255 HE22 GLN 37 2HE2 GLN 37 -9.560 -2.904 -0.913
256 H CYS 38 H CYS 38 -5.631 -6.884 0.762
257 HA CYS 38 HA CYS 38 -5.746 -9.255 -0.965
258 HB2 CYS 38 2HB CYS 38 -3.810 -6.965 -1.226
259 HB3 CYS 38 3HB CYS 38 -4.220 -8.199 -2.437
260 H ASP 39 H ASP 39 -3.129 -7.424 0.715
261 HA ASP 39 HA ASP 39 -1.967 -10.058 1.362
262 HB2 ASP 39 2HB ASP 39 -0.879 -8.618 -0.561
263 HB3 ASP 39 3HB ASP 39 -0.184 -7.719 0.796
264 HD2 ASP 39 HD ASP 39 1.531 -11.019 -0.198
265 HA PRO 40 HA PRO 40 -2.449 -7.652 5.245
266 HB2 PRO 40 2HB PRO 40 -2.897 -10.277 6.482
267 HB3 PRO 40 3HB PRO 40 -3.970 -8.882 6.379
268 HG2 PRO 40 2HG PRO 40 -4.355 -11.209 5.018
269 HG3 PRO 40 3HG PRO 40 -4.938 -9.607 4.432
270 HD2 PRO 40 2HD PRO 40 -2.551 -11.221 3.586
271 HD3 PRO 40 3HD PRO 40 -3.666 -10.252 2.608
272 H ASN 41 H ASN 41 -0.284 -10.034 4.173
273 HA ASN 41 HA ASN 41 0.981 -10.356 6.788
274 HB2 ASN 41 2HB ASN 41 1.234 -11.931 4.222
275 HB3 ASN 41 3HB ASN 41 2.217 -12.235 5.660
276 HD21 ASN 41 1HD2 ASN 41 -0.951 -12.462 4.262
277 HD22 ASN 41 2HD2 ASN 41 -1.650 -13.462 5.502
278 H ILE 42 H ILE 42 1.385 -8.022 4.731
279 HA ILE 42 HA ILE 42 4.321 -8.171 4.999
280 HB ILE 42 HB ILE 42 4.596 -6.563 3.247
281 HG12 ILE 42 2HG1 ILE 42 1.583 -6.437 3.226
282 HG13 ILE 42 3HG1 ILE 42 2.711 -5.127 3.611
283 HG21 ILE 42 1HG2 ILE 42 2.608 -8.643 2.363
284 HG22 ILE 42 2HG2 ILE 42 3.733 -7.765 1.323
285 HG23 ILE 42 3HG2 ILE 42 4.350 -8.886 2.541
286 HD11 ILE 42 3HD1 ILE 42 2.393 -6.419 0.915
287 HD12 ILE 42 1HD1 ILE 42 1.767 -4.840 1.403
288 HD13 ILE 42 2HD1 ILE 42 3.511 -5.115 1.316
289 H THR 43 H THR 43 5.415 -6.247 5.597
290 HA THR 43 HA THR 43 3.844 -4.496 7.370
291 HB THR 43 HB THR 43 6.814 -4.569 7.542
292 HG1 THR 43 1HG THR 43 6.951 -6.573 8.274
293 HG21 THR 43 3HG2 THR 43 5.528 -3.169 9.061
294 HG22 THR 43 1HG2 THR 43 6.334 -4.456 9.955
295 HG23 THR 43 2HG2 THR 43 4.608 -4.571 9.606
296 H ILE 44 H ILE 44 4.748 -2.197 7.498
297 HA ILE 44 HA ILE 44 5.306 -1.073 4.955
298 HB ILE 44 HB ILE 44 5.862 0.114 7.691
299 HG12 ILE 44 2HG1 ILE 44 3.779 1.534 6.940
300 HG13 ILE 44 3HG1 ILE 44 3.431 0.116 5.939
301 HG21 ILE 44 1HG2 ILE 44 5.882 2.279 6.524
302 HG22 ILE 44 2HG2 ILE 44 7.170 1.210 5.973
303 HG23 ILE 44 3HG2 ILE 44 5.730 1.436 4.981
304 HD11 ILE 44 3HD1 ILE 44 2.258 0.133 8.125
305 HD12 ILE 44 1HD1 ILE 44 3.261 -1.293 7.863
306 HD13 ILE 44 2HD1 ILE 44 3.827 0.002 8.920
307 H ALA 45 H ALA 45 7.153 -1.223 3.860
308 HA ALA 45 HA ALA 45 9.496 -2.334 5.149
309 HB1 ALA 45 1HB ALA 45 8.835 -3.115 2.922
310 HB2 ALA 45 2HB ALA 45 9.075 -1.487 2.279
311 HB3 ALA 45 3HB ALA 45 10.448 -2.402 2.899
312 H HIS 46 H HIS 46 8.659 0.623 3.409
313 HA HIS 46 HA HIS 46 10.182 2.260 5.134
314 HB2 HIS 46 2HB HIS 46 11.878 3.088 3.622
315 HB3 HIS 46 3HB HIS 46 12.060 1.340 3.782
316 HD1 HIS 46 1HD HIS 46 11.114 3.984 1.297
317 HD2 HIS 46 2HD HIS 46 11.645 -0.141 1.445
318 HE1 HIS 46 1HE HIS 46 11.156 3.217 -1.101
319 HE2 HIS 46 2HE HIS 46 11.705 0.765 -0.982
320 H MET 47 H MET 47 9.911 4.538 4.611
321 HA MET 47 HA MET 47 7.534 5.021 3.042
322 HB2 MET 47 2HB MET 47 9.376 6.930 4.505
323 HB3 MET 47 3HB MET 47 7.880 7.401 3.689
324 HG2 MET 47 2HG MET 47 6.650 5.810 5.194
325 HG3 MET 47 3HG MET 47 8.163 5.605 6.080
326 HE1 MET 47 3HE MET 47 5.780 9.547 5.818
327 HE2 MET 47 1HE MET 47 6.636 8.874 4.431
328 HE3 MET 47 2HE MET 47 5.262 8.011 5.119
329 H GLY 48 H GLY 48 7.507 6.589 1.290
330 HA2 GLY 48 2HA GLY 48 8.551 7.526 -0.641
331 HA3 GLY 48 3HA GLY 48 10.015 6.608 -0.249
332 H GLU 49 H GLU 49 8.062 6.754 -2.633
333 HA GLU 49 HA GLU 49 6.747 4.236 -2.726
334 HB2 GLU 49 2HB GLU 49 6.403 4.750 -5.124
335 HB3 GLU 49 3HB GLU 49 5.936 6.084 -4.056
336 HG2 GLU 49 2HG GLU 49 7.922 7.307 -4.571
337 HG3 GLU 49 3HG GLU 49 8.586 5.932 -5.464
338 HE2 GLU 49 HE GLU 49 6.195 8.388 -7.333
339 H CYS 50 H CYS 50 7.344 2.329 -3.589
340 HA CYS 50 HA CYS 50 10.095 1.923 -4.321
341 HB2 CYS 50 1HB CYS 50 7.736 0.192 -3.786
342 HB3 CYS 50 2HB CYS 50 9.046 -0.479 -4.761
Start of MODEL 11
1 H1 ALA 1 1H ALA 1 -11.091 -7.840 -0.927
2 H2 ALA 1 2H ALA 1 -9.612 -8.643 -0.734
3 H3 ALA 1 3H ALA 1 -11.055 -9.395 -0.259
4 HA ALA 1 HA ALA 1 -11.814 -9.469 -2.525
5 HB1 ALA 1 2HB ALA 1 -9.135 -8.253 -3.182
6 HB2 ALA 1 3HB ALA 1 -10.329 -8.821 -4.348
7 HB3 ALA 1 1HB ALA 1 -10.699 -7.448 -3.307
8 H GLU 2 H GLU 2 -9.088 -10.362 -0.709
9 HA GLU 2 HA GLU 2 -8.008 -12.307 -0.392
10 HB2 GLU 2 2HB GLU 2 -9.914 -13.408 -2.467
11 HB3 GLU 2 3HB GLU 2 -8.772 -14.381 -1.526
12 HG2 GLU 2 2HG GLU 2 -11.057 -12.747 -0.422
13 HG3 GLU 2 3HG GLU 2 -10.990 -14.509 -0.563
14 HE2 GLU 2 HE GLU 2 -9.121 -14.814 2.320
15 H ASP 3 H ASP 3 -8.635 -11.909 -3.899
16 HA ASP 3 HA ASP 3 -5.707 -12.080 -4.242
17 HB2 ASP 3 2HB ASP 3 -7.954 -13.095 -5.921
18 HB3 ASP 3 3HB ASP 3 -6.523 -12.471 -6.751
19 HD2 ASP 3 HD ASP 3 -6.326 -16.000 -5.132
20 H CYS 4 H CYS 4 -5.021 -10.093 -4.280
21 HA CYS 4 HA CYS 4 -5.618 -8.538 -6.600
22 HB2 CYS 4 2HB CYS 4 -5.714 -6.452 -4.954
23 HB3 CYS 4 3HB CYS 4 -7.176 -7.334 -5.430
24 H VAL 5 H VAL 5 -3.721 -7.589 -7.312
25 HA VAL 5 HA VAL 5 -1.505 -7.678 -5.383
26 HB VAL 5 HB VAL 5 -1.372 -9.667 -6.770
27 HG11 VAL 5 1HG1 VAL 5 -2.494 -8.831 -8.764
28 HG12 VAL 5 2HG1 VAL 5 -1.121 -7.777 -9.096
29 HG13 VAL 5 3HG1 VAL 5 -0.924 -9.529 -9.164
30 HG21 VAL 5 3HG2 VAL 5 0.940 -9.397 -7.542
31 HG22 VAL 5 1HG2 VAL 5 0.782 -7.649 -7.368
32 HG23 VAL 5 2HG2 VAL 5 0.684 -8.689 -5.948
33 H GLY 6 H GLY 6 -0.357 -5.932 -5.238
34 HA2 GLY 6 2HA GLY 6 1.137 -4.404 -6.418
35 HA3 GLY 6 3HA GLY 6 -0.160 -4.179 -7.601
36 H ARG 7 H ARG 7 -1.458 -2.518 -7.363
37 HA ARG 7 HA ARG 7 -1.480 -1.134 -4.782
38 HB2 ARG 7 2HB ARG 7 0.138 0.060 -6.026
39 HB3 ARG 7 3HB ARG 7 -0.828 -0.027 -7.507
40 HG2 ARG 7 2HG ARG 7 -2.507 1.475 -6.437
41 HG3 ARG 7 3HG ARG 7 -1.384 1.657 -5.077
42 HD2 ARG 7 2HD ARG 7 -1.256 3.479 -6.816
43 HD3 ARG 7 3HD ARG 7 0.271 2.660 -6.455
44 HE ARG 7 HE ARG 7 -1.346 1.801 -8.764
45 HH11 ARG 7 2HH1 ARG 7 1.578 3.239 -7.480
46 HH12 ARG 7 1HH1 ARG 7 2.498 2.971 -8.929
47 HH21 ARG 7 2HH2 ARG 7 -0.142 1.476 -10.685
48 HH22 ARG 7 1HH2 ARG 7 1.511 2.009 -10.762
49 H LYS 8 H LYS 8 -3.479 -0.876 -4.125
50 HA LYS 8 HA LYS 8 -5.673 -0.892 -6.054
51 HB2 LYS 8 2HB LYS 8 -5.627 -2.337 -3.942
52 HB3 LYS 8 3HB LYS 8 -5.837 -0.832 -3.033
53 HG2 LYS 8 2HG LYS 8 -7.964 -1.919 -3.287
54 HG3 LYS 8 3HG LYS 8 -7.945 -0.428 -4.240
55 HD2 LYS 8 2HD LYS 8 -7.345 -1.804 -6.252
56 HD3 LYS 8 3HD LYS 8 -7.604 -3.247 -5.257
57 HE2 LYS 8 2HE LYS 8 -9.607 -2.846 -6.514
58 HE3 LYS 8 3HE LYS 8 -9.924 -2.453 -4.818
59 HZ1 LYS 8 3HZ LYS 8 -9.744 -0.136 -5.285
60 HZ2 LYS 8 1HZ LYS 8 -10.795 -0.805 -6.437
61 HZ3 LYS 8 2HZ LYS 8 -9.194 -0.429 -6.859
62 H ALA 9 H ALA 9 -6.761 1.000 -6.528
63 HA ALA 9 HA ALA 9 -5.065 3.229 -5.968
64 HB1 ALA 9 1HB ALA 9 -5.937 2.806 -8.197
65 HB2 ALA 9 2HB ALA 9 -7.578 3.110 -7.617
66 HB3 ALA 9 3HB ALA 9 -6.388 4.412 -7.618
67 H CYS 10 H CYS 10 -5.194 4.363 -4.268
68 HA CYS 10 HA CYS 10 -7.680 5.805 -3.735
69 HB2 CYS 10 2HB CYS 10 -7.520 4.204 -1.931
70 HB3 CYS 10 3HB CYS 10 -5.807 4.567 -1.686
71 H THR 11 H THR 11 -7.221 8.043 -3.280
72 HA THR 11 HA THR 11 -4.507 8.956 -3.146
73 HB THR 11 HB THR 11 -5.996 9.573 -5.714
74 HG1 THR 11 1HG THR 11 -4.306 7.474 -5.034
75 HG21 THR 11 3HG2 THR 11 -3.155 10.080 -4.836
76 HG22 THR 11 1HG2 THR 11 -4.427 11.291 -4.993
77 HG23 THR 11 2HG2 THR 11 -3.820 10.458 -6.425
78 H ARG 12 H ARG 12 -5.849 9.745 -1.284
79 HA ARG 12 HA ARG 12 -7.107 12.301 -2.004
80 HB2 ARG 12 2HB ARG 12 -8.258 12.152 0.216
81 HB3 ARG 12 3HB ARG 12 -8.728 10.900 -0.946
82 HG2 ARG 12 2HG ARG 12 -8.561 9.717 1.026
83 HG3 ARG 12 3HG ARG 12 -6.990 9.431 0.258
84 HD2 ARG 12 2HD ARG 12 -5.937 11.096 1.664
85 HD3 ARG 12 3HD ARG 12 -7.506 11.545 2.346
86 HE ARG 12 HE ARG 12 -7.049 8.788 2.759
87 HH11 ARG 12 2HH1 ARG 12 -5.981 11.932 3.882
88 HH12 ARG 12 1HH1 ARG 12 -5.558 11.370 5.469
89 HH21 ARG 12 2HH2 ARG 12 -6.526 8.053 4.855
90 HH22 ARG 12 1HH2 ARG 12 -5.905 9.165 6.040
91 H GLU 13 H GLU 13 -4.290 11.222 -1.271
92 HA GLU 13 HA GLU 13 -3.147 13.457 -0.081
93 HB2 GLU 13 2HB GLU 13 -4.532 12.611 1.876
94 HB3 GLU 13 3HB GLU 13 -3.507 11.167 1.867
95 HG2 GLU 13 2HG GLU 13 -1.559 12.465 2.412
96 HG3 GLU 13 3HG GLU 13 -2.488 13.965 2.274
97 HE2 GLU 13 HE GLU 13 -3.859 13.586 5.427
98 H TRP 14 H TRP 14 -0.819 13.150 0.022
99 HA TRP 14 HA TRP 14 -0.011 10.528 -1.055
100 HB2 TRP 14 2HB TRP 14 0.133 12.352 -2.720
101 HB3 TRP 14 3HB TRP 14 1.233 13.221 -1.653
102 HD1 TRP 14 1HD TRP 14 3.766 12.457 -1.571
103 HE1 TRP 14 1HE TRP 14 5.168 10.848 -3.017
104 HE3 TRP 14 3HE TRP 14 -0.024 10.090 -4.066
105 HZ2 TRP 14 2HZ TRP 14 4.721 8.846 -4.949
106 HZ3 TRP 14 3HZ TRP 14 0.554 8.340 -5.692
107 HH2 TRP 14 2HH TRP 14 2.877 7.731 -6.122
108 H TYR 15 H TYR 15 0.568 9.620 0.878
109 HA TYR 15 HA TYR 15 3.181 10.543 1.823
110 HB2 TYR 15 2HB TYR 15 0.972 9.132 3.340
111 HB3 TYR 15 3HB TYR 15 2.656 9.023 3.856
112 HD1 TYR 15 2HD TYR 15 -0.133 11.408 3.333
113 HD2 TYR 15 1HD TYR 15 3.694 10.757 5.065
114 HE1 TYR 15 2HE TYR 15 -0.357 13.500 4.602
115 HE2 TYR 15 1HE TYR 15 3.481 12.846 6.339
116 HH TYR 15 HH TYR 15 2.242 14.973 6.184
117 HA PRO 16 HA PRO 16 3.484 6.803 -0.569
118 HB2 PRO 16 2HB PRO 16 5.924 7.177 -1.617
119 HB3 PRO 16 3HB PRO 16 4.544 8.161 -2.103
120 HG2 PRO 16 2HG PRO 16 6.738 8.789 -0.160
121 HG3 PRO 16 3HG PRO 16 6.018 9.829 -1.445
122 HD2 PRO 16 2HD PRO 16 5.356 9.935 1.252
123 HD3 PRO 16 3HD PRO 16 4.313 10.482 -0.073
124 H VAL 17 H VAL 17 4.092 4.821 -0.033
125 HA VAL 17 HA VAL 17 6.510 4.414 1.561
126 HB VAL 17 HB VAL 17 5.406 2.818 3.057
127 HG11 VAL 17 1HG1 VAL 17 5.701 5.101 3.828
128 HG12 VAL 17 2HG1 VAL 17 4.138 5.549 3.144
129 HG13 VAL 17 3HG1 VAL 17 4.218 4.407 4.486
130 HG21 VAL 17 3HG2 VAL 17 2.942 2.761 3.219
131 HG22 VAL 17 1HG2 VAL 17 2.849 3.746 1.760
132 HG23 VAL 17 2HG2 VAL 17 3.548 2.129 1.689
133 H CYS 18 H CYS 18 6.809 1.915 1.790
134 HA CYS 18 HA CYS 18 6.001 0.640 -0.737
135 HB2 CYS 18 2HB CYS 18 8.326 1.390 -0.855
136 HB3 CYS 18 3HB CYS 18 8.701 0.490 0.619
137 H GLY 19 H GLY 19 4.943 -1.178 -0.417
138 HA2 GLY 19 2HA GLY 19 4.775 -2.359 2.223
139 HA3 GLY 19 3HA GLY 19 3.964 -2.927 0.756
140 H SER 20 H SER 20 5.355 -4.496 2.736
141 HA SER 20 HA SER 20 8.015 -5.035 2.181
142 HB2 SER 20 2HB SER 20 6.840 -5.689 4.250
143 HB3 SER 20 3HB SER 20 5.971 -6.936 3.339
144 HG SER 20 HG SER 20 8.162 -7.722 2.767
145 H ASP 21 H ASP 21 5.321 -5.937 0.278
146 HA ASP 21 HA ASP 21 6.520 -8.227 -0.961
147 HB2 ASP 21 2HB ASP 21 4.066 -7.771 -0.980
148 HB3 ASP 21 3HB ASP 21 4.367 -6.370 -2.018
149 HD2 ASP 21 HD ASP 21 4.756 -8.354 -4.833
150 H GLY 22 H GLY 22 7.201 -4.988 -0.958
151 HA2 GLY 22 2HA GLY 22 8.942 -3.910 -2.095
152 HA3 GLY 22 3HA GLY 22 8.877 -5.163 -3.339
153 H VAL 23 H VAL 23 5.916 -3.721 -2.245
154 HA VAL 23 HA VAL 23 5.691 -2.475 -4.914
155 HB VAL 23 HB VAL 23 4.097 -4.256 -4.595
156 HG11 VAL 23 1HG1 VAL 23 3.987 -4.296 -2.179
157 HG12 VAL 23 2HG1 VAL 23 3.150 -2.744 -2.171
158 HG13 VAL 23 3HG1 VAL 23 2.367 -4.163 -2.865
159 HG21 VAL 23 3HG2 VAL 23 3.362 -2.357 -5.906
160 HG22 VAL 23 1HG2 VAL 23 2.006 -3.035 -5.005
161 HG23 VAL 23 2HG2 VAL 23 2.779 -1.550 -4.453
162 H THR 24 H THR 24 4.994 -0.343 -5.116
163 HA THR 24 HA THR 24 5.371 1.188 -2.684
164 HB THR 24 HB THR 24 6.426 1.790 -4.968
165 HG1 THR 24 1HG THR 24 5.335 3.396 -2.974
166 HG21 THR 24 3HG2 THR 24 5.114 3.456 -6.241
167 HG22 THR 24 1HG2 THR 24 3.689 3.014 -5.297
168 HG23 THR 24 2HG2 THR 24 4.451 1.823 -6.358
169 H TYR 25 H TYR 25 3.870 2.156 -1.573
170 HA TYR 25 HA TYR 25 1.146 2.126 -2.616
171 HB2 TYR 25 2HB TYR 25 2.276 2.157 0.182
172 HB3 TYR 25 3HB TYR 25 0.578 2.426 -0.171
173 HD1 TYR 25 1HD TYR 25 -0.657 0.636 -1.556
174 HD2 TYR 25 2HD TYR 25 3.060 -0.052 0.394
175 HE1 TYR 25 1HE TYR 25 -1.039 -1.784 -1.699
176 HE2 TYR 25 2HE TYR 25 2.681 -2.476 0.257
177 HH TYR 25 HH TYR 25 0.272 -3.847 -1.700
178 H SER 26 H SER 26 0.060 3.897 -2.908
179 HA SER 26 HA SER 26 1.373 6.352 -3.243
180 HB2 SER 26 2HB SER 26 -0.476 5.813 -4.652
181 HB3 SER 26 3HB SER 26 -1.548 5.569 -3.263
182 HG SER 26 HG SER 26 -0.502 8.051 -3.188
183 H ASN 27 H ASN 27 -0.293 5.020 -0.526
184 HA ASN 27 HA ASN 27 0.409 7.065 1.241
185 HB2 ASN 27 2HB ASN 27 -1.856 8.052 1.672
186 HB3 ASN 27 3HB ASN 27 -1.167 8.491 0.103
187 HD21 ASN 27 1HD2 ASN 27 -2.992 8.885 -1.000
188 HD22 ASN 27 2HD2 ASN 27 -4.193 7.684 -1.356
189 HA PRO 28 HA PRO 28 -0.830 4.207 4.414
190 HB2 PRO 28 2HB PRO 28 -2.890 6.162 5.410
191 HB3 PRO 28 3HB PRO 28 -1.643 5.278 6.291
192 HG2 PRO 28 2HG PRO 28 -1.371 7.864 5.675
193 HG3 PRO 28 3HG PRO 28 0.038 6.739 5.648
194 HD2 PRO 28 2HD PRO 28 -1.497 7.963 3.396
195 HD3 PRO 28 3HD PRO 28 0.212 7.511 3.491
196 H CYS 29 H CYS 29 -3.606 5.945 3.063
197 HA CYS 29 HA CYS 29 -5.631 4.109 3.519
198 HB2 CYS 29 2HB CYS 29 -6.159 6.295 2.782
199 HB3 CYS 29 3HB CYS 29 -5.169 6.124 1.323
200 H ASN 30 H ASN 30 -3.394 4.350 0.805
201 HA ASN 30 HA ASN 30 -4.479 2.253 -0.735
202 HB2 ASN 30 2HB ASN 30 -3.067 3.977 -1.698
203 HB3 ASN 30 3HB ASN 30 -1.713 3.471 -0.679
204 HD21 ASN 30 1HD2 ASN 30 -3.705 1.027 -2.101
205 HD22 ASN 30 2HD2 ASN 30 -2.567 0.536 -3.300
206 H PHE 31 H PHE 31 -1.765 2.314 1.569
207 HA PHE 31 HA PHE 31 -1.088 -0.407 1.300
208 HB2 PHE 31 1HB PHE 31 0.510 1.141 2.220
209 HB3 PHE 31 2HB PHE 31 -0.582 1.557 3.542
210 HD1 PHE 31 2HD PHE 31 1.569 -1.149 2.197
211 HD2 PHE 31 1HD PHE 31 -0.697 0.265 5.516
212 HE1 PHE 31 2HE PHE 31 2.576 -2.875 3.622
213 HE2 PHE 31 1HE PHE 31 0.312 -1.465 6.941
214 HZ PHE 31 HZ PHE 31 1.948 -3.040 5.992
215 H SER 32 H SER 32 -3.170 1.293 3.642
216 HA SER 32 HA SER 32 -3.596 -0.940 5.306
217 HB2 SER 32 2HB SER 32 -5.558 0.366 6.170
218 HB3 SER 32 3HB SER 32 -4.035 1.268 6.160
219 HG SER 32 HG SER 32 -6.357 1.782 4.830
220 H ALA 33 H ALA 33 -5.587 0.454 2.719
221 HA ALA 33 HA ALA 33 -7.663 -1.451 2.918
222 HB1 ALA 33 1HB ALA 33 -6.867 0.232 0.547
223 HB2 ALA 33 2HB ALA 33 -8.416 -0.585 0.771
224 HB3 ALA 33 3HB ALA 33 -7.948 0.734 1.846
225 H GLN 34 H GLN 34 -4.784 -1.252 0.864
226 HA GLN 34 HA GLN 34 -5.428 -3.462 -0.761
227 HB2 GLN 34 2HB GLN 34 -3.764 -1.796 -1.419
228 HB3 GLN 34 3HB GLN 34 -2.716 -2.305 -0.087
229 HG2 GLN 34 2HG GLN 34 -1.853 -3.288 -2.053
230 HG3 GLN 34 3HG GLN 34 -2.634 -4.575 -1.127
231 HE21 GLN 34 1HE2 GLN 34 -2.093 -4.759 -3.859
232 HE22 GLN 34 2HE2 GLN 34 -3.590 -4.829 -4.713
233 H GLN 35 H GLN 35 -3.617 -3.190 2.262
234 HA GLN 35 HA GLN 35 -2.751 -5.897 2.164
235 HB2 GLN 35 2HB GLN 35 -2.328 -3.609 3.875
236 HB3 GLN 35 3HB GLN 35 -2.570 -5.090 4.818
237 HG2 GLN 35 2HG GLN 35 -0.192 -4.565 4.201
238 HG3 GLN 35 3HG GLN 35 -0.761 -6.175 3.775
239 HE21 GLN 35 1HE2 GLN 35 0.587 -3.341 2.667
240 HE22 GLN 35 2HE2 GLN 35 0.619 -3.744 0.985
241 H GLU 36 H GLU 36 -5.474 -4.267 3.728
242 HA GLU 36 HA GLU 36 -6.256 -6.595 5.183
243 HB2 GLU 36 2HB GLU 36 -8.357 -5.426 5.612
244 HB3 GLU 36 3HB GLU 36 -6.965 -4.369 5.898
245 HG2 GLU 36 2HG GLU 36 -7.318 -3.260 3.774
246 HG3 GLU 36 3HG GLU 36 -8.664 -4.354 3.418
247 HE2 GLU 36 HE GLU 36 -9.281 -1.499 6.105
248 H GLN 37 H GLN 37 -6.786 -5.464 1.938
249 HA GLN 37 HA GLN 37 -8.949 -7.338 1.452
250 HB2 GLN 37 2HB GLN 37 -7.441 -5.474 -0.383
251 HB3 GLN 37 3HB GLN 37 -8.777 -6.517 -0.902
252 HG2 GLN 37 2HG GLN 37 -10.345 -5.321 0.431
253 HG3 GLN 37 3HG GLN 37 -9.051 -4.440 1.256
254 HE21 GLN 37 1HE2 GLN 37 -7.516 -4.053 -1.175
255 HE22 GLN 37 2HE2 GLN 37 -8.328 -2.821 -2.071
256 H CYS 38 H CYS 38 -5.492 -7.201 0.984
257 HA CYS 38 HA CYS 38 -5.672 -9.525 -0.818
258 HB2 CYS 38 2HB CYS 38 -3.392 -7.568 -0.784
259 HB3 CYS 38 3HB CYS 38 -3.846 -8.712 -2.062
260 H ASP 39 H ASP 39 -2.970 -8.020 0.983
261 HA ASP 39 HA ASP 39 -2.364 -10.686 2.081
262 HB2 ASP 39 2HB ASP 39 -0.992 -9.847 -0.019
263 HB3 ASP 39 3HB ASP 39 -0.123 -8.914 1.209
264 HD2 ASP 39 HD ASP 39 0.535 -12.781 0.963
265 HA PRO 40 HA PRO 40 -2.564 -7.606 5.490
266 HB2 PRO 40 2HB PRO 40 -2.967 -10.111 7.051
267 HB3 PRO 40 3HB PRO 40 -3.922 -8.630 7.012
268 HG2 PRO 40 2HG PRO 40 -4.760 -10.893 5.854
269 HG3 PRO 40 3HG PRO 40 -5.098 -9.281 5.120
270 HD2 PRO 40 2HD PRO 40 -3.055 -11.354 4.368
271 HD3 PRO 40 3HD PRO 40 -4.066 -10.335 3.330
272 H ASN 41 H ASN 41 -0.409 -10.144 4.802
273 HA ASN 41 HA ASN 41 0.797 -10.196 7.430
274 HB2 ASN 41 2HB ASN 41 0.409 -12.212 5.880
275 HB3 ASN 41 3HB ASN 41 1.840 -11.647 5.012
276 HD21 ASN 41 1HD2 ASN 41 0.630 -12.975 7.980
277 HD22 ASN 41 2HD2 ASN 41 2.167 -13.447 8.633
278 H ILE 42 H ILE 42 1.394 -8.530 4.437
279 HA ILE 42 HA ILE 42 4.211 -8.267 4.941
280 HB ILE 42 HB ILE 42 4.459 -7.052 3.011
281 HG12 ILE 42 2HG1 ILE 42 1.543 -6.271 3.090
282 HG13 ILE 42 3HG1 ILE 42 2.884 -5.242 3.613
283 HG21 ILE 42 1HG2 ILE 42 3.648 -9.243 2.429
284 HG22 ILE 42 2HG2 ILE 42 1.975 -8.697 2.567
285 HG23 ILE 42 3HG2 ILE 42 3.007 -8.058 1.288
286 HD11 ILE 42 3HD1 ILE 42 2.091 -4.705 1.351
287 HD12 ILE 42 1HD1 ILE 42 3.788 -5.187 1.386
288 HD13 ILE 42 2HD1 ILE 42 2.554 -6.322 0.828
289 H THR 43 H THR 43 5.327 -6.422 5.458
290 HA THR 43 HA THR 43 3.817 -4.487 7.079
291 HB THR 43 HB THR 43 6.148 -4.090 8.099
292 HG1 THR 43 1HG THR 43 7.606 -5.822 7.835
293 HG21 THR 43 3HG2 THR 43 4.338 -5.257 9.288
294 HG22 THR 43 1HG2 THR 43 5.913 -5.968 9.653
295 HG23 THR 43 2HG2 THR 43 4.821 -6.773 8.526
296 H ILE 44 H ILE 44 4.876 -2.253 7.102
297 HA ILE 44 HA ILE 44 5.479 -1.404 4.442
298 HB ILE 44 HB ILE 44 5.925 0.068 7.058
299 HG12 ILE 44 2HG1 ILE 44 3.623 0.205 5.093
300 HG13 ILE 44 3HG1 ILE 44 3.574 -0.597 6.672
301 HG21 ILE 44 1HG2 ILE 44 5.797 1.114 4.229
302 HG22 ILE 44 2HG2 ILE 44 5.935 2.101 5.685
303 HG23 ILE 44 3HG2 ILE 44 7.246 1.009 5.232
304 HD11 ILE 44 3HD1 ILE 44 2.496 1.568 6.781
305 HD12 ILE 44 1HD1 ILE 44 3.950 1.546 7.782
306 HD13 ILE 44 2HD1 ILE 44 3.970 2.350 6.211
307 H ALA 45 H ALA 45 7.335 -1.651 3.429
308 HA ALA 45 HA ALA 45 9.631 -2.725 4.765
309 HB1 ALA 45 1HB ALA 45 9.290 -1.833 1.901
310 HB2 ALA 45 2HB ALA 45 10.622 -2.800 2.535
311 HB3 ALA 45 3HB ALA 45 8.985 -3.456 2.518
312 H HIS 46 H HIS 46 8.834 0.313 3.150
313 HA HIS 46 HA HIS 46 10.466 1.808 4.896
314 HB2 HIS 46 2HB HIS 46 12.153 2.653 3.410
315 HB3 HIS 46 3HB HIS 46 12.256 0.892 3.414
316 HD1 HIS 46 1HD HIS 46 11.427 3.787 1.196
317 HD2 HIS 46 2HD HIS 46 11.655 -0.359 0.980
318 HE1 HIS 46 1HE HIS 46 11.326 3.225 -1.255
319 HE2 HIS 46 2HE HIS 46 11.749 0.747 -1.350
320 H MET 47 H MET 47 10.237 4.071 4.576
321 HA MET 47 HA MET 47 7.813 4.808 3.225
322 HB2 MET 47 2HB MET 47 8.662 5.834 5.386
323 HB3 MET 47 3HB MET 47 9.891 6.657 4.414
324 HG2 MET 47 2HG MET 47 8.193 7.843 3.169
325 HG3 MET 47 3HG MET 47 6.925 6.950 4.011
326 HE1 MET 47 3HE MET 47 6.336 10.413 5.576
327 HE2 MET 47 1HE MET 47 6.693 10.011 3.897
328 HE3 MET 47 2HE MET 47 5.609 8.987 4.835
329 H GLY 48 H GLY 48 7.658 6.122 1.369
330 HA2 GLY 48 2HA GLY 48 8.797 7.430 -0.354
331 HA3 GLY 48 3HA GLY 48 10.176 6.343 -0.156
332 H GLU 49 H GLU 49 9.263 6.751 -2.630
333 HA GLU 49 HA GLU 49 7.228 4.829 -3.359
334 HB2 GLU 49 2HB GLU 49 9.002 6.612 -5.046
335 HB3 GLU 49 3HB GLU 49 7.633 5.664 -5.644
336 HG2 GLU 49 2HG GLU 49 6.057 7.008 -4.550
337 HG3 GLU 49 3HG GLU 49 7.283 7.714 -3.487
338 HE2 GLU 49 HE GLU 49 6.854 9.235 -7.118
339 H CYS 50 H CYS 50 7.584 2.810 -3.801
340 HA CYS 50 HA CYS 50 10.244 1.799 -4.408
341 HB2 CYS 50 1HB CYS 50 7.704 0.717 -3.449
342 HB3 CYS 50 2HB CYS 50 8.462 -0.309 -4.675
Start of MODEL 12
1 H1 ALA 1 1H ALA 1 -11.272 -8.587 -0.666
2 H2 ALA 1 2H ALA 1 -12.588 -9.220 -1.519
3 H3 ALA 1 3H ALA 1 -12.366 -7.543 -1.431
4 HA ALA 1 HA ALA 1 -11.734 -8.448 -3.589
5 HB1 ALA 1 2HB ALA 1 -10.673 -6.406 -2.778
6 HB2 ALA 1 3HB ALA 1 -9.436 -7.362 -1.965
7 HB3 ALA 1 1HB ALA 1 -9.540 -7.370 -3.725
8 H GLU 2 H GLU 2 -9.533 -9.497 -1.001
9 HA GLU 2 HA GLU 2 -8.426 -11.421 -0.607
10 HB2 GLU 2 2HB GLU 2 -10.484 -12.582 -1.246
11 HB3 GLU 2 3HB GLU 2 -9.986 -12.531 -2.943
12 HG2 GLU 2 2HG GLU 2 -8.133 -13.993 -2.524
13 HG3 GLU 2 3HG GLU 2 -8.438 -13.935 -0.783
14 HE2 GLU 2 HE GLU 2 -11.089 -16.002 -2.914
15 H ASP 3 H ASP 3 -8.677 -11.066 -4.164
16 HA ASP 3 HA ASP 3 -5.736 -11.266 -4.245
17 HB2 ASP 3 2HB ASP 3 -7.742 -11.882 -6.437
18 HB3 ASP 3 3HB ASP 3 -5.984 -12.002 -6.587
19 HD2 ASP 3 HD ASP 3 -5.928 -15.102 -5.125
20 H CYS 4 H CYS 4 -4.953 -9.281 -4.332
21 HA CYS 4 HA CYS 4 -5.454 -7.804 -6.750
22 HB2 CYS 4 2HB CYS 4 -5.749 -5.641 -5.691
23 HB3 CYS 4 3HB CYS 4 -7.049 -6.737 -5.196
24 H VAL 5 H VAL 5 -3.511 -7.462 -7.574
25 HA VAL 5 HA VAL 5 -1.263 -7.476 -5.677
26 HB VAL 5 HB VAL 5 -1.339 -9.503 -7.031
27 HG11 VAL 5 1HG1 VAL 5 -0.912 -9.416 -9.449
28 HG12 VAL 5 2HG1 VAL 5 -2.453 -8.681 -9.004
29 HG13 VAL 5 3HG1 VAL 5 -1.068 -7.659 -9.394
30 HG21 VAL 5 3HG2 VAL 5 0.816 -8.689 -6.295
31 HG22 VAL 5 1HG2 VAL 5 0.960 -9.437 -7.887
32 HG23 VAL 5 2HG2 VAL 5 0.955 -7.678 -7.734
33 H GLY 6 H GLY 6 -0.042 -5.771 -5.605
34 HA2 GLY 6 2HA GLY 6 1.396 -4.203 -6.766
35 HA3 GLY 6 3HA GLY 6 0.115 -4.037 -7.977
36 H ARG 7 H ARG 7 -1.503 -2.600 -7.650
37 HA ARG 7 HA ARG 7 -1.463 -1.130 -5.135
38 HB2 ARG 7 2HB ARG 7 0.004 0.135 -6.550
39 HB3 ARG 7 3HB ARG 7 -1.181 0.117 -7.864
40 HG2 ARG 7 2HG ARG 7 -2.598 1.633 -6.794
41 HG3 ARG 7 3HG ARG 7 -1.820 1.372 -5.223
42 HD2 ARG 7 2HD ARG 7 -1.219 3.546 -6.223
43 HD3 ARG 7 3HD ARG 7 0.182 2.494 -5.976
44 HE ARG 7 HE ARG 7 -0.959 2.318 -8.619
45 HH11 ARG 7 2HH1 ARG 7 1.251 4.091 -6.563
46 HH12 ARG 7 1HH1 ARG 7 2.274 4.602 -7.877
47 HH21 ARG 7 2HH2 ARG 7 0.384 2.967 -10.351
48 HH22 ARG 7 1HH2 ARG 7 1.775 3.963 -10.032
49 H LYS 8 H LYS 8 -3.422 -0.902 -4.341
50 HA LYS 8 HA LYS 8 -5.705 -0.685 -6.169
51 HB2 LYS 8 2HB LYS 8 -5.409 -1.282 -3.243
52 HB3 LYS 8 3HB LYS 8 -6.928 -0.586 -3.829
53 HG2 LYS 8 2HG LYS 8 -5.674 -3.143 -4.843
54 HG3 LYS 8 3HG LYS 8 -7.030 -3.029 -3.708
55 HD2 LYS 8 2HD LYS 8 -8.370 -1.853 -5.391
56 HD3 LYS 8 3HD LYS 8 -7.011 -1.944 -6.523
57 HE2 LYS 8 2HE LYS 8 -7.140 -4.371 -6.554
58 HE3 LYS 8 3HE LYS 8 -8.421 -4.330 -5.333
59 HZ1 LYS 8 3HZ LYS 8 -8.633 -3.137 -8.048
60 HZ2 LYS 8 1HZ LYS 8 -9.865 -3.208 -6.882
61 HZ3 LYS 8 2HZ LYS 8 -9.282 -4.635 -7.593
62 H ALA 9 H ALA 9 -6.745 1.247 -6.479
63 HA ALA 9 HA ALA 9 -4.989 3.457 -5.957
64 HB1 ALA 9 1HB ALA 9 -6.356 4.687 -7.506
65 HB2 ALA 9 2HB ALA 9 -6.027 3.081 -8.155
66 HB3 ALA 9 3HB ALA 9 -7.602 3.440 -7.449
67 H CYS 10 H CYS 10 -5.079 4.652 -4.239
68 HA CYS 10 HA CYS 10 -7.663 5.757 -3.423
69 HB2 CYS 10 2HB CYS 10 -7.108 4.033 -1.772
70 HB3 CYS 10 3HB CYS 10 -5.508 4.753 -1.533
71 H THR 11 H THR 11 -7.499 7.951 -2.748
72 HA THR 11 HA THR 11 -4.889 9.211 -2.721
73 HB THR 11 HB THR 11 -5.981 10.924 -4.478
74 HG1 THR 11 1HG THR 11 -6.679 9.135 -6.175
75 HG21 THR 11 3HG2 THR 11 -3.746 9.992 -4.635
76 HG22 THR 11 1HG2 THR 11 -4.562 9.862 -6.195
77 HG23 THR 11 2HG2 THR 11 -4.400 8.440 -5.163
78 H ARG 12 H ARG 12 -6.201 9.214 -0.567
79 HA ARG 12 HA ARG 12 -7.826 11.639 -0.347
80 HB2 ARG 12 2HB ARG 12 -6.963 10.109 2.059
81 HB3 ARG 12 3HB ARG 12 -8.528 10.851 1.698
82 HG2 ARG 12 2HG ARG 12 -9.117 9.018 0.232
83 HG3 ARG 12 3HG ARG 12 -7.514 8.298 0.473
84 HD2 ARG 12 2HD ARG 12 -9.746 8.606 2.480
85 HD3 ARG 12 3HD ARG 12 -8.966 7.122 1.914
86 HE ARG 12 HE ARG 12 -6.909 8.419 3.062
87 HH11 ARG 12 2HH1 ARG 12 -10.137 7.621 4.174
88 HH12 ARG 12 1HH1 ARG 12 -9.704 7.673 5.855
89 HH21 ARG 12 2HH2 ARG 12 -6.354 8.530 5.289
90 HH22 ARG 12 1HH2 ARG 12 -7.571 8.192 6.489
91 H GLU 13 H GLU 13 -4.699 10.956 -0.636
92 HA GLU 13 HA GLU 13 -3.459 13.005 0.804
93 HB2 GLU 13 2HB GLU 13 -4.336 11.836 2.759
94 HB3 GLU 13 3HB GLU 13 -3.637 10.319 2.179
95 HG2 GLU 13 2HG GLU 13 -1.394 11.180 2.535
96 HG3 GLU 13 3HG GLU 13 -2.076 12.724 3.069
97 HE2 GLU 13 HE GLU 13 -2.491 9.619 5.525
98 H TRP 14 H TRP 14 -1.100 12.786 0.606
99 HA TRP 14 HA TRP 14 -0.270 10.417 -0.925
100 HB2 TRP 14 2HB TRP 14 -0.509 12.390 -2.424
101 HB3 TRP 14 3HB TRP 14 0.687 13.244 -1.448
102 HD1 TRP 14 1HD TRP 14 3.230 12.718 -1.858
103 HE1 TRP 14 1HE TRP 14 4.490 11.303 -3.606
104 HE3 TRP 14 3HE TRP 14 -0.729 10.147 -3.830
105 HZ2 TRP 14 2HZ TRP 14 3.882 9.361 -5.552
106 HZ3 TRP 14 3HZ TRP 14 -0.297 8.524 -5.628
107 HH2 TRP 14 2HH TRP 14 1.960 8.141 -6.471
108 H TYR 15 H TYR 15 0.570 9.484 0.924
109 HA TYR 15 HA TYR 15 3.237 10.509 1.537
110 HB2 TYR 15 2HB TYR 15 1.331 9.017 3.359
111 HB3 TYR 15 3HB TYR 15 3.074 9.007 3.628
112 HD1 TYR 15 1HD TYR 15 0.043 11.043 3.755
113 HD2 TYR 15 2HD TYR 15 4.242 10.986 4.415
114 HE1 TYR 15 1HE TYR 15 -0.136 13.124 5.048
115 HE2 TYR 15 2HE TYR 15 4.073 13.070 5.712
116 HH TYR 15 HH TYR 15 1.047 14.340 6.730
117 HA PRO 16 HA PRO 16 3.366 6.740 -0.844
118 HB2 PRO 16 2HB PRO 16 5.727 7.134 -2.092
119 HB3 PRO 16 3HB PRO 16 4.273 8.033 -2.516
120 HG2 PRO 16 2HG PRO 16 6.592 8.854 -0.818
121 HG3 PRO 16 3HG PRO 16 5.679 9.804 -2.049
122 HD2 PRO 16 2HD PRO 16 5.317 9.977 0.701
123 HD3 PRO 16 3HD PRO 16 4.117 10.434 -0.518
124 H VAL 17 H VAL 17 4.167 4.742 -0.427
125 HA VAL 17 HA VAL 17 6.553 4.463 1.235
126 HB VAL 17 HB VAL 17 5.471 2.936 2.807
127 HG11 VAL 17 1HG1 VAL 17 4.073 5.605 2.718
128 HG12 VAL 17 2HG1 VAL 17 4.207 4.547 4.124
129 HG13 VAL 17 3HG1 VAL 17 5.654 5.283 3.434
130 HG21 VAL 17 3HG2 VAL 17 3.676 2.089 1.438
131 HG22 VAL 17 1HG2 VAL 17 3.006 2.784 2.915
132 HG23 VAL 17 2HG2 VAL 17 2.910 3.680 1.398
133 H CYS 18 H CYS 18 6.642 1.891 1.729
134 HA CYS 18 HA CYS 18 6.163 0.516 -0.827
135 HB2 CYS 18 2HB CYS 18 8.471 1.066 -0.806
136 HB3 CYS 18 3HB CYS 18 8.646 0.550 0.882
137 H GLY 19 H GLY 19 5.255 -1.444 -0.667
138 HA2 GLY 19 2HA GLY 19 4.589 -2.515 1.950
139 HA3 GLY 19 3HA GLY 19 4.112 -3.180 0.381
140 H SER 20 H SER 20 5.196 -4.566 2.698
141 HA SER 20 HA SER 20 7.947 -4.923 2.649
142 HB2 SER 20 2HB SER 20 6.507 -5.524 4.541
143 HB3 SER 20 3HB SER 20 5.856 -6.877 3.603
144 HG SER 20 HG SER 20 8.356 -7.298 3.453
145 H ASP 21 H ASP 21 5.677 -6.207 0.409
146 HA ASP 21 HA ASP 21 7.509 -8.341 -0.377
147 HB2 ASP 21 2HB ASP 21 5.844 -8.949 -2.051
148 HB3 ASP 21 3HB ASP 21 5.087 -8.776 -0.461
149 HD2 ASP 21 HD ASP 21 3.371 -5.891 -1.472
150 H GLY 22 H GLY 22 7.611 -5.170 -0.711
151 HA2 GLY 22 2HA GLY 22 9.208 -4.017 -1.983
152 HA3 GLY 22 3HA GLY 22 9.223 -5.364 -3.131
153 H VAL 23 H VAL 23 6.264 -3.817 -2.011
154 HA VAL 23 HA VAL 23 5.791 -3.132 -4.835
155 HB VAL 23 HB VAL 23 4.272 -4.799 -3.974
156 HG11 VAL 23 1HG1 VAL 23 2.664 -4.229 -2.185
157 HG12 VAL 23 2HG1 VAL 23 4.338 -4.322 -1.632
158 HG13 VAL 23 3HG1 VAL 23 3.579 -2.751 -1.888
159 HG21 VAL 23 3HG2 VAL 23 3.385 -3.293 -5.627
160 HG22 VAL 23 1HG2 VAL 23 2.127 -3.680 -4.451
161 HG23 VAL 23 2HG2 VAL 23 2.952 -2.123 -4.378
162 H THR 24 H THR 24 4.933 -1.163 -5.444
163 HA THR 24 HA THR 24 5.673 1.067 -3.781
164 HB THR 24 HB THR 24 4.169 1.345 -6.353
165 HG1 THR 24 1HG THR 24 6.969 0.778 -6.287
166 HG21 THR 24 3HG2 THR 24 6.505 2.835 -5.171
167 HG22 THR 24 1HG2 THR 24 4.818 3.351 -5.136
168 HG23 THR 24 2HG2 THR 24 5.677 3.237 -6.674
169 H TYR 25 H TYR 25 4.292 2.025 -2.372
170 HA TYR 25 HA TYR 25 1.439 1.943 -3.007
171 HB2 TYR 25 2HB TYR 25 2.928 1.951 -0.396
172 HB3 TYR 25 3HB TYR 25 1.237 2.399 -0.499
173 HD1 TYR 25 1HD TYR 25 -0.110 0.678 -2.170
174 HD2 TYR 25 2HD TYR 25 3.230 -0.240 0.284
175 HE1 TYR 25 1HE TYR 25 -0.754 -1.689 -2.201
176 HE2 TYR 25 2HE TYR 25 2.594 -2.613 0.262
177 HH TYR 25 HH TYR 25 0.243 -3.857 -1.895
178 H SER 26 H SER 26 0.332 3.721 -3.185
179 HA SER 26 HA SER 26 1.690 6.176 -3.649
180 HB2 SER 26 2HB SER 26 -1.256 5.468 -3.565
181 HB3 SER 26 3HB SER 26 -0.615 7.021 -4.123
182 HG SER 26 HG SER 26 -0.446 6.066 -5.982
183 H ASN 27 H ASN 27 -0.030 4.848 -0.947
184 HA ASN 27 HA ASN 27 0.714 6.897 0.820
185 HB2 ASN 27 2HB ASN 27 -1.537 7.861 1.310
186 HB3 ASN 27 3HB ASN 27 -0.917 8.295 -0.287
187 HD21 ASN 27 1HD2 ASN 27 -2.870 8.717 -1.202
188 HD22 ASN 27 2HD2 ASN 27 -4.042 7.484 -1.546
189 HA PRO 28 HA PRO 28 -0.301 3.988 3.993
190 HB2 PRO 28 2HB PRO 28 -2.244 5.960 5.173
191 HB3 PRO 28 3HB PRO 28 -0.943 5.048 5.941
192 HG2 PRO 28 2HG PRO 28 -0.674 7.634 5.339
193 HG3 PRO 28 3HG PRO 28 0.708 6.489 5.163
194 HD2 PRO 28 2HD PRO 28 -1.025 7.759 3.080
195 HD3 PRO 28 3HD PRO 28 0.686 7.309 3.013
196 H CYS 29 H CYS 29 -3.185 5.767 2.897
197 HA CYS 29 HA CYS 29 -5.149 3.900 3.512
198 HB2 CYS 29 2HB CYS 29 -5.771 6.091 2.849
199 HB3 CYS 29 3HB CYS 29 -4.944 5.933 1.289
200 H ASN 30 H ASN 30 -3.272 4.234 0.543
201 HA ASN 30 HA ASN 30 -4.376 2.130 -0.921
202 HB2 ASN 30 2HB ASN 30 -3.033 3.774 -1.992
203 HB3 ASN 30 3HB ASN 30 -1.670 3.471 -0.910
204 HD21 ASN 30 1HD2 ASN 30 -3.390 0.770 -2.277
205 HD22 ASN 30 2HD2 ASN 30 -2.148 0.326 -3.390
206 H PHE 31 H PHE 31 -1.608 2.152 1.325
207 HA PHE 31 HA PHE 31 -0.975 -0.578 1.041
208 HB2 PHE 31 1HB PHE 31 0.664 0.941 1.936
209 HB3 PHE 31 2HB PHE 31 -0.414 1.405 3.256
210 HD1 PHE 31 1HD PHE 31 -0.742 -0.033 5.180
211 HD2 PHE 31 2HD PHE 31 1.890 -1.173 2.031
212 HE1 PHE 31 1HE PHE 31 0.256 -1.748 6.636
213 HE2 PHE 31 2HE PHE 31 2.889 -2.880 3.483
214 HZ PHE 31 HZ PHE 31 2.073 -3.174 5.780
215 H SER 32 H SER 32 -2.950 1.181 3.434
216 HA SER 32 HA SER 32 -3.416 -1.070 5.069
217 HB2 SER 32 2HB SER 32 -5.285 0.332 6.037
218 HB3 SER 32 3HB SER 32 -3.681 1.082 6.051
219 HG SER 32 HG SER 32 -5.492 2.427 5.297
220 H ALA 33 H ALA 33 -5.442 0.456 2.575
221 HA ALA 33 HA ALA 33 -7.630 -1.302 2.925
222 HB1 ALA 33 1HB ALA 33 -7.836 0.892 1.843
223 HB2 ALA 33 2HB ALA 33 -6.896 0.297 0.476
224 HB3 ALA 33 3HB ALA 33 -8.474 -0.406 0.835
225 H GLN 34 H GLN 34 -4.904 -1.326 0.630
226 HA GLN 34 HA GLN 34 -5.851 -3.608 -0.763
227 HB2 GLN 34 2HB GLN 34 -4.326 -2.160 -1.873
228 HB3 GLN 34 3HB GLN 34 -3.123 -2.335 -0.587
229 HG2 GLN 34 2HG GLN 34 -2.507 -4.466 -1.260
230 HG3 GLN 34 3HG GLN 34 -4.015 -4.717 -2.148
231 HE21 GLN 34 1HE2 GLN 34 -2.785 -5.362 -3.951
232 HE22 GLN 34 2HE2 GLN 34 -1.974 -4.204 -4.931
233 H GLN 35 H GLN 35 -3.854 -3.162 2.061
234 HA GLN 35 HA GLN 35 -2.959 -5.861 2.219
235 HB2 GLN 35 2HB GLN 35 -2.875 -3.446 3.943
236 HB3 GLN 35 3HB GLN 35 -2.661 -5.013 4.734
237 HG2 GLN 35 2HG GLN 35 -0.610 -3.630 3.932
238 HG3 GLN 35 3HG GLN 35 -0.625 -5.385 3.780
239 HE21 GLN 35 1HE2 GLN 35 0.868 -3.336 2.433
240 HE22 GLN 35 2HE2 GLN 35 0.646 -3.622 0.740
241 H GLU 36 H GLU 36 -5.612 -4.053 3.756
242 HA GLU 36 HA GLU 36 -6.429 -6.221 5.398
243 HB2 GLU 36 2HB GLU 36 -8.424 -4.982 5.874
244 HB3 GLU 36 3HB GLU 36 -7.071 -3.843 5.814
245 HG2 GLU 36 2HG GLU 36 -7.733 -3.049 3.652
246 HG3 GLU 36 3HG GLU 36 -8.969 -4.309 3.530
247 HE2 GLU 36 HE GLU 36 -10.133 -0.999 5.001
248 H GLN 37 H GLN 37 -7.084 -5.321 2.097
249 HA GLN 37 HA GLN 37 -9.269 -7.196 1.805
250 HB2 GLN 37 2HB GLN 37 -7.691 -5.599 -0.214
251 HB3 GLN 37 3HB GLN 37 -9.089 -6.608 -0.608
252 HG2 GLN 37 2HG GLN 37 -10.575 -5.190 0.565
253 HG3 GLN 37 3HG GLN 37 -9.231 -4.320 1.324
254 HE21 GLN 37 1HE2 GLN 37 -7.659 -4.340 -1.130
255 HE22 GLN 37 2HE2 GLN 37 -8.349 -3.117 -2.138
256 H CYS 38 H CYS 38 -5.801 -7.185 1.245
257 HA CYS 38 HA CYS 38 -6.105 -9.705 -0.225
258 HB2 CYS 38 2HB CYS 38 -4.424 -7.325 -0.971
259 HB3 CYS 38 3HB CYS 38 -4.296 -8.905 -1.758
260 H ASP 39 H ASP 39 -3.357 -7.709 1.011
261 HA ASP 39 HA ASP 39 -2.303 -10.248 2.086
262 HB2 ASP 39 2HB ASP 39 -1.063 -9.263 0.069
263 HB3 ASP 39 3HB ASP 39 -0.532 -7.989 1.177
264 HD2 ASP 39 HD ASP 39 1.475 -11.263 1.211
265 HA PRO 40 HA PRO 40 -2.743 -7.526 5.722
266 HB2 PRO 40 2HB PRO 40 -3.127 -10.078 7.144
267 HB3 PRO 40 3HB PRO 40 -4.209 -8.697 7.003
268 HG2 PRO 40 2HG PRO 40 -4.657 -11.079 5.790
269 HG3 PRO 40 3HG PRO 40 -5.210 -9.511 5.090
270 HD2 PRO 40 2HD PRO 40 -2.824 -11.208 4.381
271 HD3 PRO 40 3HD PRO 40 -3.954 -10.351 3.318
272 H ASN 41 H ASN 41 -0.520 -9.898 4.758
273 HA ASN 41 HA ASN 41 0.703 -10.181 7.378
274 HB2 ASN 41 2HB ASN 41 1.160 -11.581 4.750
275 HB3 ASN 41 3HB ASN 41 2.151 -11.869 6.188
276 HD21 ASN 41 1HD2 ASN 41 1.182 -12.728 8.047
277 HD22 ASN 41 2HD2 ASN 41 -0.281 -13.653 7.953
278 H ILE 42 H ILE 42 1.361 -8.446 4.420
279 HA ILE 42 HA ILE 42 4.152 -8.143 5.071
280 HB ILE 42 HB ILE 42 4.322 -6.569 3.251
281 HG12 ILE 42 2HG1 ILE 42 1.318 -6.817 3.114
282 HG13 ILE 42 3HG1 ILE 42 2.250 -5.362 3.502
283 HG21 ILE 42 1HG2 ILE 42 3.619 -8.004 1.392
284 HG22 ILE 42 2HG2 ILE 42 4.424 -8.912 2.675
285 HG23 ILE 42 3HG2 ILE 42 2.668 -8.974 2.517
286 HD11 ILE 42 3HD1 ILE 42 2.152 -6.767 0.847
287 HD12 ILE 42 1HD1 ILE 42 1.445 -5.200 1.257
288 HD13 ILE 42 2HD1 ILE 42 3.201 -5.399 1.225
289 H THR 43 H THR 43 5.130 -6.042 5.313
290 HA THR 43 HA THR 43 3.532 -4.218 6.984
291 HB THR 43 HB THR 43 5.752 -3.778 8.177
292 HG1 THR 43 1HG THR 43 7.383 -4.801 7.286
293 HG21 THR 43 3HG2 THR 43 4.524 -6.521 8.469
294 HG22 THR 43 1HG2 THR 43 3.918 -5.042 9.213
295 HG23 THR 43 2HG2 THR 43 5.491 -5.685 9.682
296 H ILE 44 H ILE 44 4.544 -1.981 7.086
297 HA ILE 44 HA ILE 44 5.287 -1.052 4.500
298 HB ILE 44 HB ILE 44 5.609 0.319 7.180
299 HG12 ILE 44 2HG1 ILE 44 3.424 0.511 5.088
300 HG13 ILE 44 3HG1 ILE 44 3.279 -0.280 6.667
301 HG21 ILE 44 1HG2 ILE 44 5.712 2.396 5.866
302 HG22 ILE 44 2HG2 ILE 44 7.050 1.310 5.497
303 HG23 ILE 44 3HG2 ILE 44 5.693 1.444 4.381
304 HD11 ILE 44 3HD1 ILE 44 3.769 2.652 6.232
305 HD12 ILE 44 1HD1 ILE 44 2.231 1.914 6.681
306 HD13 ILE 44 2HD1 ILE 44 3.599 1.848 7.790
307 H ALA 45 H ALA 45 7.177 -1.278 3.545
308 HA ALA 45 HA ALA 45 9.437 -2.315 5.002
309 HB1 ALA 45 1HB ALA 45 10.510 -2.497 2.827
310 HB2 ALA 45 2HB ALA 45 8.871 -3.144 2.759
311 HB3 ALA 45 3HB ALA 45 9.218 -1.550 2.088
312 H HIS 46 H HIS 46 8.794 0.618 3.100
313 HA HIS 46 HA HIS 46 10.383 2.186 4.877
314 HB2 HIS 46 2HB HIS 46 12.086 2.941 3.380
315 HB3 HIS 46 3HB HIS 46 12.133 1.177 3.380
316 HD1 HIS 46 1HD HIS 46 11.245 4.090 1.181
317 HD2 HIS 46 2HD HIS 46 11.605 -0.045 0.936
318 HE1 HIS 46 1HE HIS 46 11.159 3.547 -1.271
319 HE2 HIS 46 2HE HIS 46 11.633 1.073 -1.397
320 H MET 47 H MET 47 10.320 4.489 4.312
321 HA MET 47 HA MET 47 7.810 5.148 3.008
322 HB2 MET 47 2HB MET 47 9.864 6.882 4.410
323 HB3 MET 47 3HB MET 47 8.353 7.486 3.709
324 HG2 MET 47 2HG MET 47 7.110 5.919 5.225
325 HG3 MET 47 3HG MET 47 8.654 5.565 6.004
326 HE1 MET 47 3HE MET 47 6.655 9.726 6.020
327 HE2 MET 47 1HE MET 47 7.447 9.062 4.593
328 HE3 MET 47 2HE MET 47 5.984 8.305 5.222
329 H GLY 48 H GLY 48 7.672 6.667 1.269
330 HA2 GLY 48 2HA GLY 48 8.541 7.639 -0.718
331 HA3 GLY 48 3HA GLY 48 10.058 6.772 -0.435
332 H GLU 49 H GLU 49 8.408 6.798 -2.860
333 HA GLU 49 HA GLU 49 6.836 4.476 -3.025
334 HB2 GLU 49 2HB GLU 49 6.875 4.738 -5.425
335 HB3 GLU 49 3HB GLU 49 6.664 6.318 -4.654
336 HG2 GLU 49 2HG GLU 49 9.342 5.324 -5.617
337 HG3 GLU 49 3HG GLU 49 8.214 6.211 -6.653
338 HE2 GLU 49 HE GLU 49 10.389 8.229 -4.110
339 H CYS 50 H CYS 50 7.265 2.427 -3.603
340 HA CYS 50 HA CYS 50 9.983 1.542 -3.280
341 HB2 CYS 50 1HB CYS 50 7.654 0.500 -2.483
342 HB3 CYS 50 2HB CYS 50 7.853 -0.379 -4.009
Start of MODEL 13
1 H1 ALA 1 1H ALA 1 -12.631 -7.888 -0.430
2 H2 ALA 1 2H ALA 1 -13.584 -8.986 -1.300
3 H3 ALA 1 3H ALA 1 -13.302 -7.434 -1.922
4 HA ALA 1 HA ALA 1 -11.995 -9.182 -3.009
5 HB1 ALA 1 2HB ALA 1 -11.245 -6.836 -2.989
6 HB2 ALA 1 3HB ALA 1 -10.337 -7.163 -1.512
7 HB3 ALA 1 1HB ALA 1 -9.904 -7.985 -3.013
8 H GLU 2 H GLU 2 -10.612 -10.833 -2.887
9 HA GLU 2 HA GLU 2 -9.254 -11.367 -0.330
10 HB2 GLU 2 2HB GLU 2 -11.168 -12.919 -0.598
11 HB3 GLU 2 3HB GLU 2 -10.499 -13.448 -2.148
12 HG2 GLU 2 2HG GLU 2 -10.019 -15.051 -0.377
13 HG3 GLU 2 3HG GLU 2 -8.539 -14.335 -1.031
14 HE2 GLU 2 HE GLU 2 -7.605 -13.394 2.115
15 H ASP 3 H ASP 3 -9.420 -11.783 -3.820
16 HA ASP 3 HA ASP 3 -6.488 -11.923 -3.863
17 HB2 ASP 3 2HB ASP 3 -6.731 -12.782 -6.186
18 HB3 ASP 3 3HB ASP 3 -7.441 -13.844 -4.965
19 HD2 ASP 3 HD ASP 3 -10.672 -13.305 -6.173
20 H CYS 4 H CYS 4 -5.661 -10.007 -4.122
21 HA CYS 4 HA CYS 4 -6.324 -8.512 -6.498
22 HB2 CYS 4 2HB CYS 4 -6.221 -6.386 -4.894
23 HB3 CYS 4 3HB CYS 4 -7.743 -7.202 -5.291
24 H VAL 5 H VAL 5 -4.422 -8.157 -7.433
25 HA VAL 5 HA VAL 5 -2.098 -7.880 -5.647
26 HB VAL 5 HB VAL 5 -2.059 -10.029 -6.833
27 HG11 VAL 5 1HG1 VAL 5 -3.283 -9.400 -8.841
28 HG12 VAL 5 2HG1 VAL 5 -1.938 -8.376 -9.347
29 HG13 VAL 5 3HG1 VAL 5 -1.727 -10.124 -9.249
30 HG21 VAL 5 3HG2 VAL 5 0.040 -9.024 -6.219
31 HG22 VAL 5 1HG2 VAL 5 0.209 -9.828 -7.779
32 HG23 VAL 5 2HG2 VAL 5 0.059 -8.073 -7.705
33 H GLY 6 H GLY 6 -1.004 -6.074 -5.800
34 HA2 GLY 6 2HA GLY 6 0.277 -4.683 -7.436
35 HA3 GLY 6 3HA GLY 6 -1.278 -4.473 -8.251
36 H ARG 7 H ARG 7 -2.515 -2.818 -7.682
37 HA ARG 7 HA ARG 7 -1.903 -1.472 -5.151
38 HB2 ARG 7 2HB ARG 7 -0.699 -0.297 -6.870
39 HB3 ARG 7 3HB ARG 7 -2.150 -0.200 -7.877
40 HG2 ARG 7 2HG ARG 7 -3.201 1.318 -6.335
41 HG3 ARG 7 3HG ARG 7 -1.864 1.124 -5.189
42 HD2 ARG 7 2HD ARG 7 -1.712 3.233 -6.468
43 HD3 ARG 7 3HD ARG 7 -0.324 2.164 -6.730
44 HE ARG 7 HE ARG 7 -1.959 1.515 -8.783
45 HH11 ARG 7 2HH1 ARG 7 -0.962 4.648 -7.574
46 HH12 ARG 7 1HH1 ARG 7 -0.832 5.362 -9.152
47 HH21 ARG 7 2HH2 ARG 7 -1.808 2.440 -10.854
48 HH22 ARG 7 1HH2 ARG 7 -1.328 4.106 -11.023
49 H LYS 8 H LYS 8 -3.593 -0.760 -4.032
50 HA LYS 8 HA LYS 8 -6.259 -0.801 -5.236
51 HB2 LYS 8 2HB LYS 8 -5.561 -1.621 -2.799
52 HB3 LYS 8 3HB LYS 8 -5.721 0.103 -2.423
53 HG2 LYS 8 2HG LYS 8 -7.898 -1.651 -3.567
54 HG3 LYS 8 3HG LYS 8 -7.746 -1.152 -1.874
55 HD2 LYS 8 2HD LYS 8 -7.946 1.213 -2.568
56 HD3 LYS 8 3HD LYS 8 -8.168 0.673 -4.240
57 HE2 LYS 8 2HE LYS 8 -10.336 1.117 -3.352
58 HE3 LYS 8 3HE LYS 8 -10.156 -0.640 -3.470
59 HZ1 LYS 8 3HZ LYS 8 -11.129 -0.140 -1.378
60 HZ2 LYS 8 1HZ LYS 8 -9.948 1.025 -1.015
61 HZ3 LYS 8 2HZ LYS 8 -9.537 -0.616 -1.074
62 H ALA 9 H ALA 9 -7.092 1.096 -6.029
63 HA ALA 9 HA ALA 9 -5.332 3.361 -5.964
64 HB1 ALA 9 1HB ALA 9 -6.546 2.739 -7.995
65 HB2 ALA 9 2HB ALA 9 -8.070 3.119 -7.193
66 HB3 ALA 9 3HB ALA 9 -6.893 4.397 -7.501
67 H CYS 10 H CYS 10 -5.239 4.653 -4.338
68 HA CYS 10 HA CYS 10 -7.699 5.963 -3.456
69 HB2 CYS 10 2HB CYS 10 -7.134 4.389 -1.678
70 HB3 CYS 10 3HB CYS 10 -5.468 4.987 -1.639
71 H THR 11 H THR 11 -7.340 8.211 -2.994
72 HA THR 11 HA THR 11 -4.681 9.271 -3.260
73 HB THR 11 HB THR 11 -6.604 10.225 -5.365
74 HG1 THR 11 1HG THR 11 -5.076 7.858 -5.361
75 HG21 THR 11 3HG2 THR 11 -4.543 10.892 -6.473
76 HG22 THR 11 1HG2 THR 11 -3.594 10.127 -5.200
77 HG23 THR 11 2HG2 THR 11 -4.592 11.532 -4.830
78 H ARG 12 H ARG 12 -5.928 9.650 -1.095
79 HA ARG 12 HA ARG 12 -7.439 12.138 -1.220
80 HB2 ARG 12 2HB ARG 12 -7.788 11.851 1.169
81 HB3 ARG 12 3HB ARG 12 -8.207 10.360 0.306
82 HG2 ARG 12 2HG ARG 12 -6.032 9.389 0.951
83 HG3 ARG 12 3HG ARG 12 -5.685 10.862 1.876
84 HD2 ARG 12 2HD ARG 12 -7.689 10.483 3.245
85 HD3 ARG 12 3HD ARG 12 -8.019 9.006 2.326
86 HE ARG 12 HE ARG 12 -5.412 9.051 3.563
87 HH11 ARG 12 2HH1 ARG 12 -8.796 8.210 3.923
88 HH12 ARG 12 1HH1 ARG 12 -8.517 7.139 5.263
89 HH21 ARG 12 2HH2 ARG 12 -5.059 7.660 5.374
90 HH22 ARG 12 1HH2 ARG 12 -6.418 6.824 6.081
91 H GLU 13 H GLU 13 -4.298 10.974 -0.829
92 HA GLU 13 HA GLU 13 -3.075 13.508 -0.685
93 HB2 GLU 13 2HB GLU 13 -3.924 13.277 1.678
94 HB3 GLU 13 3HB GLU 13 -2.890 11.844 1.845
95 HG2 GLU 13 2HG GLU 13 -0.905 13.161 1.560
96 HG3 GLU 13 3HG GLU 13 -1.872 14.597 1.187
97 HE2 GLU 13 HE GLU 13 -1.844 13.423 4.987
98 H TRP 14 H TRP 14 -0.687 13.247 -0.785
99 HA TRP 14 HA TRP 14 0.021 10.481 -1.476
100 HB2 TRP 14 2HB TRP 14 0.158 12.096 -3.354
101 HB3 TRP 14 3HB TRP 14 1.326 13.038 -2.427
102 HD1 TRP 14 1HD TRP 14 3.771 11.847 -1.965
103 HE1 TRP 14 1HE TRP 14 5.083 10.160 -3.396
104 HE3 TRP 14 3HE TRP 14 -0.027 10.184 -4.955
105 HZ2 TRP 14 2HZ TRP 14 4.585 8.375 -5.499
106 HZ3 TRP 14 3HZ TRP 14 0.486 8.482 -6.658
107 HH2 TRP 14 2HH TRP 14 2.746 7.600 -6.921
108 H TYR 15 H TYR 15 0.601 9.863 0.601
109 HA TYR 15 HA TYR 15 3.327 10.723 1.233
110 HB2 TYR 15 2HB TYR 15 1.114 9.848 3.099
111 HB3 TYR 15 3HB TYR 15 2.805 9.586 3.529
112 HD1 TYR 15 2HD TYR 15 0.638 12.381 2.305
113 HD2 TYR 15 1HD TYR 15 3.842 11.174 4.822
114 HE1 TYR 15 2HE TYR 15 0.790 14.666 3.192
115 HE2 TYR 15 1HE TYR 15 4.005 13.457 5.722
116 HH TYR 15 HH TYR 15 1.596 15.836 5.124
117 HA PRO 16 HA PRO 16 3.170 6.659 -0.534
118 HB2 PRO 16 2HB PRO 16 5.575 6.636 -1.738
119 HB3 PRO 16 3HB PRO 16 4.246 7.643 -2.310
120 HG2 PRO 16 2HG PRO 16 6.625 8.381 -0.660
121 HG3 PRO 16 3HG PRO 16 5.834 9.283 -2.007
122 HD2 PRO 16 2HD PRO 16 5.469 9.762 0.730
123 HD3 PRO 16 3HD PRO 16 4.383 10.287 -0.567
124 H VAL 17 H VAL 17 3.758 4.665 0.104
125 HA VAL 17 HA VAL 17 6.111 4.377 1.837
126 HB VAL 17 HB VAL 17 4.963 2.800 3.298
127 HG11 VAL 17 1HG1 VAL 17 3.521 4.337 4.519
128 HG12 VAL 17 2HG1 VAL 17 4.981 5.150 3.953
129 HG13 VAL 17 3HG1 VAL 17 3.450 5.401 3.114
130 HG21 VAL 17 3HG2 VAL 17 2.453 3.475 1.767
131 HG22 VAL 17 1HG2 VAL 17 3.327 1.943 1.698
132 HG23 VAL 17 2HG2 VAL 17 2.557 2.453 3.202
133 H CYS 18 H CYS 18 6.657 1.968 2.051
134 HA CYS 18 HA CYS 18 6.127 0.680 -0.543
135 HB2 CYS 18 2HB CYS 18 8.406 1.655 -0.284
136 HB3 CYS 18 3HB CYS 18 8.692 0.541 1.058
137 H GLY 19 H GLY 19 5.118 -1.208 -0.369
138 HA2 GLY 19 2HA GLY 19 4.867 -2.528 2.197
139 HA3 GLY 19 3HA GLY 19 4.199 -3.079 0.653
140 H SER 20 H SER 20 5.753 -4.516 2.780
141 HA SER 20 HA SER 20 8.418 -4.852 2.138
142 HB2 SER 20 2HB SER 20 6.541 -6.847 3.416
143 HB3 SER 20 3HB SER 20 8.309 -6.956 3.429
144 HG SER 20 HG SER 20 8.425 -5.410 4.877
145 H ASP 21 H ASP 21 5.781 -5.988 0.308
146 HA ASP 21 HA ASP 21 7.200 -8.169 -0.937
147 HB2 ASP 21 2HB ASP 21 4.721 -8.111 -0.835
148 HB3 ASP 21 3HB ASP 21 4.726 -6.675 -1.868
149 HD2 ASP 21 HD ASP 21 4.975 -8.585 -4.708
150 H GLY 22 H GLY 22 7.665 -4.943 -0.941
151 HA2 GLY 22 2HA GLY 22 9.040 -3.602 -2.243
152 HA3 GLY 22 3HA GLY 22 9.163 -4.918 -3.417
153 H VAL 23 H VAL 23 6.132 -3.726 -2.176
154 HA VAL 23 HA VAL 23 5.445 -2.958 -4.931
155 HB VAL 23 HB VAL 23 4.072 -4.739 -4.200
156 HG11 VAL 23 1HG1 VAL 23 4.453 -4.591 -1.811
157 HG12 VAL 23 2HG1 VAL 23 3.462 -3.134 -1.726
158 HG13 VAL 23 3HG1 VAL 23 2.727 -4.679 -2.160
159 HG21 VAL 23 3HG2 VAL 23 1.821 -3.739 -4.233
160 HG22 VAL 23 1HG2 VAL 23 2.544 -2.153 -3.955
161 HG23 VAL 23 2HG2 VAL 23 2.893 -3.034 -5.442
162 H THR 24 H THR 24 4.827 -0.948 -5.405
163 HA THR 24 HA THR 24 5.511 1.055 -3.472
164 HB THR 24 HB THR 24 4.546 1.399 -6.319
165 HG1 THR 24 1HG THR 24 6.826 1.477 -6.794
166 HG21 THR 24 3HG2 THR 24 5.762 3.515 -6.223
167 HG22 THR 24 1HG2 THR 24 6.181 3.197 -4.541
168 HG23 THR 24 2HG2 THR 24 4.497 3.444 -4.997
169 H TYR 25 H TYR 25 4.095 1.887 -2.120
170 HA TYR 25 HA TYR 25 1.280 1.943 -2.922
171 HB2 TYR 25 2HB TYR 25 2.675 1.906 -0.258
172 HB3 TYR 25 3HB TYR 25 0.978 2.314 -0.415
173 HD1 TYR 25 2HD TYR 25 -0.261 0.614 -2.183
174 HD2 TYR 25 1HD TYR 25 3.015 -0.311 0.358
175 HE1 TYR 25 2HE TYR 25 -0.858 -1.761 -2.301
176 HE2 TYR 25 1HE TYR 25 2.434 -2.695 0.239
177 HH TYR 25 HH TYR 25 0.032 -3.996 -0.275
178 H SER 26 H SER 26 0.180 3.736 -3.132
179 HA SER 26 HA SER 26 1.602 6.129 -3.619
180 HB2 SER 26 2HB SER 26 -0.314 5.487 -4.958
181 HB3 SER 26 3HB SER 26 -1.361 5.525 -3.530
182 HG SER 26 HG SER 26 -0.257 7.880 -3.609
183 H ASN 27 H ASN 27 -0.111 4.932 -0.868
184 HA ASN 27 HA ASN 27 0.638 7.024 0.845
185 HB2 ASN 27 2HB ASN 27 -1.671 7.969 1.253
186 HB3 ASN 27 3HB ASN 27 -0.925 8.440 -0.280
187 HD21 ASN 27 1HD2 ASN 27 -2.934 8.913 -1.169
188 HD22 ASN 27 2HD2 ASN 27 -4.032 7.664 -1.662
189 HA PRO 28 HA PRO 28 -0.609 4.277 4.092
190 HB2 PRO 28 2HB PRO 28 -2.674 6.244 5.045
191 HB3 PRO 28 3HB PRO 28 -1.419 5.389 5.942
192 HG2 PRO 28 2HG PRO 28 -1.138 7.947 5.275
193 HG3 PRO 28 3HG PRO 28 0.267 6.819 5.208
194 HD2 PRO 28 2HD PRO 28 -1.389 7.974 2.992
195 HD3 PRO 28 3HD PRO 28 0.342 7.598 3.035
196 H CYS 29 H CYS 29 -3.536 5.887 2.743
197 HA CYS 29 HA CYS 29 -5.290 3.807 3.463
198 HB2 CYS 29 2HB CYS 29 -6.836 4.775 1.756
199 HB3 CYS 29 3HB CYS 29 -6.225 5.932 2.948
200 H ASN 30 H ASN 30 -3.253 4.257 0.668
201 HA ASN 30 HA ASN 30 -4.260 2.174 -0.945
202 HB2 ASN 30 2HB ASN 30 -2.634 4.032 -1.579
203 HB3 ASN 30 3HB ASN 30 -1.382 3.090 -0.764
204 HD21 ASN 30 1HD2 ASN 30 -2.802 0.552 -1.820
205 HD22 ASN 30 2HD2 ASN 30 -2.237 0.470 -3.449
206 H PHE 31 H PHE 31 -1.645 2.304 1.457
207 HA PHE 31 HA PHE 31 -0.879 -0.409 1.208
208 HB2 PHE 31 1HB PHE 31 0.645 1.240 2.124
209 HB3 PHE 31 2HB PHE 31 -0.466 1.581 3.453
210 HD1 PHE 31 2HD PHE 31 -0.726 0.025 5.309
211 HD2 PHE 31 1HD PHE 31 2.082 -0.743 2.196
212 HE1 PHE 31 2HE PHE 31 0.396 -1.642 6.727
213 HE2 PHE 31 1HE PHE 31 3.210 -2.390 3.619
214 HZ PHE 31 HZ PHE 31 2.364 -2.850 5.883
215 H SER 32 H SER 32 -2.985 1.276 3.514
216 HA SER 32 HA SER 32 -3.437 -0.934 5.184
217 HB2 SER 32 2HB SER 32 -5.175 1.501 4.703
218 HB3 SER 32 3HB SER 32 -5.323 0.383 6.070
219 HG SER 32 HG SER 32 -3.083 0.923 6.557
220 H ALA 33 H ALA 33 -5.431 0.367 2.524
221 HA ALA 33 HA ALA 33 -7.497 -1.552 2.839
222 HB1 ALA 33 1HB ALA 33 -6.817 0.079 0.399
223 HB2 ALA 33 2HB ALA 33 -8.356 -0.715 0.738
224 HB3 ALA 33 3HB ALA 33 -7.815 0.630 1.743
225 H GLN 34 H GLN 34 -4.697 -1.338 0.707
226 HA GLN 34 HA GLN 34 -5.287 -3.585 -0.888
227 HB2 GLN 34 2HB GLN 34 -3.691 -1.743 -1.421
228 HB3 GLN 34 3HB GLN 34 -2.587 -2.398 -0.209
229 HG2 GLN 34 2HG GLN 34 -1.859 -3.036 -2.407
230 HG3 GLN 34 3HG GLN 34 -2.409 -4.469 -1.526
231 HE21 GLN 34 1HE2 GLN 34 -2.539 -5.367 -3.709
232 HE22 GLN 34 2HE2 GLN 34 -3.966 -5.108 -4.634
233 H GLN 35 H GLN 35 -3.624 -3.181 2.171
234 HA GLN 35 HA GLN 35 -2.632 -5.864 2.220
235 HB2 GLN 35 2HB GLN 35 -2.530 -3.488 3.966
236 HB3 GLN 35 3HB GLN 35 -2.405 -5.050 4.782
237 HG2 GLN 35 2HG GLN 35 -0.224 -4.001 4.220
238 HG3 GLN 35 3HG GLN 35 -0.445 -5.627 3.571
239 HE21 GLN 35 1HE2 GLN 35 1.247 -3.343 2.840
240 HE22 GLN 35 2HE2 GLN 35 1.022 -3.160 1.144
241 H GLU 36 H GLU 36 -5.341 -4.168 3.784
242 HA GLU 36 HA GLU 36 -6.055 -6.355 5.429
243 HB2 GLU 36 2HB GLU 36 -8.152 -5.197 5.838
244 HB3 GLU 36 3HB GLU 36 -6.790 -4.071 5.923
245 HG2 GLU 36 2HG GLU 36 -7.304 -3.208 3.719
246 HG3 GLU 36 3HG GLU 36 -8.608 -4.392 3.547
247 HE2 GLU 36 HE GLU 36 -10.789 -2.484 5.415
248 H GLN 37 H GLN 37 -6.848 -5.525 2.117
249 HA GLN 37 HA GLN 37 -8.890 -7.609 2.026
250 HB2 GLN 37 2HB GLN 37 -7.891 -5.758 -0.143
251 HB3 GLN 37 3HB GLN 37 -9.292 -6.836 -0.259
252 HG2 GLN 37 2HG GLN 37 -10.511 -5.566 1.350
253 HG3 GLN 37 3HG GLN 37 -9.081 -4.602 1.744
254 HE21 GLN 37 1HE2 GLN 37 -8.242 -4.456 -1.051
255 HE22 GLN 37 2HE2 GLN 37 -9.297 -3.319 -1.812
256 H CYS 38 H CYS 38 -5.605 -7.037 0.898
257 HA CYS 38 HA CYS 38 -5.811 -9.450 -0.765
258 HB2 CYS 38 2HB CYS 38 -3.648 -7.394 -1.038
259 HB3 CYS 38 3HB CYS 38 -4.274 -8.515 -2.259
260 H ASP 39 H ASP 39 -3.019 -7.739 0.689
261 HA ASP 39 HA ASP 39 -2.142 -10.350 1.744
262 HB2 ASP 39 2HB ASP 39 -0.896 -9.514 -0.337
263 HB3 ASP 39 3HB ASP 39 -0.236 -8.255 0.716
264 HD2 ASP 39 HD ASP 39 1.424 -10.885 2.612
265 HA PRO 40 HA PRO 40 -2.294 -7.474 5.294
266 HB2 PRO 40 2HB PRO 40 -2.743 -9.938 6.839
267 HB3 PRO 40 3HB PRO 40 -3.763 -8.512 6.676
268 HG2 PRO 40 2HG PRO 40 -4.367 -10.918 5.585
269 HG3 PRO 40 3HG PRO 40 -4.874 -9.355 4.845
270 HD2 PRO 40 2HD PRO 40 -2.625 -11.204 4.094
271 HD3 PRO 40 3HD PRO 40 -3.743 -10.302 3.054
272 H ASN 41 H ASN 41 -0.243 -10.027 4.413
273 HA ASN 41 HA ASN 41 0.946 -10.371 7.019
274 HB2 ASN 41 2HB ASN 41 0.537 -12.217 5.295
275 HB3 ASN 41 3HB ASN 41 1.964 -11.586 4.464
276 HD21 ASN 41 1HD2 ASN 41 1.478 -11.679 7.935
277 HD22 ASN 41 2HD2 ASN 41 2.760 -12.807 8.272
278 H ILE 42 H ILE 42 1.654 -8.439 4.212
279 HA ILE 42 HA ILE 42 4.478 -8.314 4.789
280 HB ILE 42 HB ILE 42 4.751 -6.763 3.040
281 HG12 ILE 42 2HG1 ILE 42 1.761 -6.332 3.073
282 HG13 ILE 42 3HG1 ILE 42 2.980 -5.192 3.666
283 HG21 ILE 42 1HG2 ILE 42 3.561 -7.756 1.145
284 HG22 ILE 42 2HG2 ILE 42 4.231 -8.976 2.230
285 HG23 ILE 42 3HG2 ILE 42 2.506 -8.610 2.270
286 HD11 ILE 42 3HD1 ILE 42 2.186 -4.554 1.470
287 HD12 ILE 42 1HD1 ILE 42 3.901 -4.975 1.429
288 HD13 ILE 42 2HD1 ILE 42 2.698 -6.112 0.819
289 H THR 43 H THR 43 5.559 -6.244 5.146
290 HA THR 43 HA THR 43 4.131 -4.650 7.176
291 HB THR 43 HB THR 43 7.104 -4.705 7.075
292 HG1 THR 43 1HG THR 43 6.011 -6.781 8.569
293 HG21 THR 43 3HG2 THR 43 5.104 -4.825 9.336
294 HG22 THR 43 1HG2 THR 43 5.932 -3.378 8.757
295 HG23 THR 43 2HG2 THR 43 6.852 -4.676 9.516
296 H ILE 44 H ILE 44 5.000 -2.338 7.302
297 HA ILE 44 HA ILE 44 5.514 -1.206 4.728
298 HB ILE 44 HB ILE 44 6.011 0.029 7.456
299 HG12 ILE 44 2HG1 ILE 44 3.604 0.237 5.626
300 HG13 ILE 44 3HG1 ILE 44 3.662 -0.648 7.158
301 HG21 ILE 44 1HG2 ILE 44 5.781 1.266 4.712
302 HG22 ILE 44 2HG2 ILE 44 5.830 2.173 6.223
303 HG23 ILE 44 3HG2 ILE 44 7.217 1.201 5.734
304 HD11 ILE 44 3HD1 ILE 44 4.041 1.439 8.364
305 HD12 ILE 44 1HD1 ILE 44 3.966 2.326 6.841
306 HD13 ILE 44 2HD1 ILE 44 2.540 1.479 7.440
307 H ALA 45 H ALA 45 7.380 -1.361 3.686
308 HA ALA 45 HA ALA 45 9.670 -2.525 4.970
309 HB1 ALA 45 1HB ALA 45 9.345 -1.482 2.158
310 HB2 ALA 45 2HB ALA 45 10.683 -2.471 2.749
311 HB3 ALA 45 3HB ALA 45 9.051 -3.138 2.688
312 H HIS 46 H HIS 46 8.872 0.606 3.552
313 HA HIS 46 HA HIS 46 10.518 1.996 5.382
314 HB2 HIS 46 2HB HIS 46 12.155 2.971 3.868
315 HB3 HIS 46 3HB HIS 46 12.326 1.214 3.883
316 HD1 HIS 46 1HD HIS 46 11.241 4.040 1.655
317 HD2 HIS 46 2HD HIS 46 11.823 -0.076 1.468
318 HE1 HIS 46 1HE HIS 46 11.136 3.452 -0.787
319 HE2 HIS 46 2HE HIS 46 11.612 0.974 -0.892
320 H MET 47 H MET 47 10.334 4.308 5.123
321 HA MET 47 HA MET 47 7.829 5.122 4.012
322 HB2 MET 47 2HB MET 47 8.892 6.138 6.047
323 HB3 MET 47 3HB MET 47 10.102 6.869 4.981
324 HG2 MET 47 2HG MET 47 8.422 8.510 5.521
325 HG3 MET 47 3HG MET 47 8.311 8.085 3.812
326 HE1 MET 47 3HE MET 47 6.008 9.624 5.335
327 HE2 MET 47 1HE MET 47 5.891 9.157 3.638
328 HE3 MET 47 2HE MET 47 4.574 8.776 4.749
329 H GLY 48 H GLY 48 7.444 6.276 2.142
330 HA2 GLY 48 2HA GLY 48 8.137 7.458 0.183
331 HA3 GLY 48 3HA GLY 48 9.748 6.755 0.379
332 H GLU 49 H GLU 49 8.152 6.735 -1.996
333 HA GLU 49 HA GLU 49 6.803 4.260 -2.306
334 HB2 GLU 49 2HB GLU 49 6.929 4.794 -4.752
335 HB3 GLU 49 3HB GLU 49 6.213 6.063 -3.749
336 HG2 GLU 49 2HG GLU 49 8.596 7.071 -3.711
337 HG3 GLU 49 3HG GLU 49 8.875 6.016 -5.104
338 HE2 GLU 49 HE GLU 49 6.771 7.944 -7.133
339 H CYS 50 H CYS 50 7.413 2.412 -3.486
340 HA CYS 50 HA CYS 50 9.964 1.442 -2.874
341 HB2 CYS 50 1HB CYS 50 8.001 0.363 -4.881
342 HB3 CYS 50 2HB CYS 50 9.329 -0.530 -4.141
Start of MODEL 14
1 H1 ALA 1 1H ALA 1 -14.289 -5.820 -1.931
2 H2 ALA 1 2H ALA 1 -13.741 -4.476 -2.812
3 H3 ALA 1 3H ALA 1 -13.027 -4.870 -1.326
4 HA ALA 1 HA ALA 1 -12.969 -6.641 -3.688
5 HB1 ALA 1 2HB ALA 1 -10.801 -4.787 -2.705
6 HB2 ALA 1 3HB ALA 1 -10.691 -5.905 -4.069
7 HB3 ALA 1 1HB ALA 1 -11.789 -4.526 -4.143
8 H GLU 2 H GLU 2 -11.666 -8.468 -3.416
9 HA GLU 2 HA GLU 2 -10.597 -8.875 -0.699
10 HB2 GLU 2 2HB GLU 2 -11.849 -10.931 -2.535
11 HB3 GLU 2 3HB GLU 2 -11.026 -11.304 -1.014
12 HG2 GLU 2 2HG GLU 2 -12.684 -9.882 0.178
13 HG3 GLU 2 3HG GLU 2 -13.551 -9.704 -1.355
14 HE2 GLU 2 HE GLU 2 -14.813 -12.933 -1.178
15 H ASP 3 H ASP 3 -10.250 -9.476 -4.143
16 HA ASP 3 HA ASP 3 -7.388 -9.951 -3.654
17 HB2 ASP 3 2HB ASP 3 -9.202 -10.957 -5.839
18 HB3 ASP 3 3HB ASP 3 -7.450 -10.864 -6.074
19 HD2 ASP 3 HD ASP 3 -6.923 -13.406 -3.665
20 H CYS 4 H CYS 4 -6.010 -8.520 -4.387
21 HA CYS 4 HA CYS 4 -6.630 -6.799 -6.609
22 HB2 CYS 4 2HB CYS 4 -6.174 -4.725 -5.401
23 HB3 CYS 4 3HB CYS 4 -7.591 -5.544 -4.727
24 H VAL 5 H VAL 5 -4.853 -6.856 -7.820
25 HA VAL 5 HA VAL 5 -2.394 -7.667 -6.486
26 HB VAL 5 HB VAL 5 -1.692 -8.442 -8.682
27 HG11 VAL 5 1HG1 VAL 5 -3.220 -10.356 -8.847
28 HG12 VAL 5 2HG1 VAL 5 -2.762 -10.002 -7.182
29 HG13 VAL 5 3HG1 VAL 5 -4.349 -9.513 -7.785
30 HG21 VAL 5 3HG2 VAL 5 -2.949 -6.905 -10.081
31 HG22 VAL 5 1HG2 VAL 5 -3.265 -8.578 -10.538
32 HG23 VAL 5 2HG2 VAL 5 -4.451 -7.686 -9.586
33 H GLY 6 H GLY 6 -0.777 -6.342 -6.349
34 HA2 GLY 6 2HA GLY 6 0.913 -5.019 -7.382
35 HA3 GLY 6 3HA GLY 6 -0.311 -4.413 -8.509
36 H ARG 7 H ARG 7 -1.527 -2.677 -7.970
37 HA ARG 7 HA ARG 7 -1.331 -1.708 -5.215
38 HB2 ARG 7 2HB ARG 7 0.190 -0.398 -6.665
39 HB3 ARG 7 3HB ARG 7 -1.193 0.035 -7.684
40 HG2 ARG 7 2HG ARG 7 -2.217 1.270 -5.917
41 HG3 ARG 7 3HG ARG 7 -1.015 0.686 -4.755
42 HD2 ARG 7 2HD ARG 7 -0.449 2.939 -5.356
43 HD3 ARG 7 3HD ARG 7 0.747 1.844 -6.062
44 HE ARG 7 HE ARG 7 -1.420 2.500 -7.849
45 HH11 ARG 7 2HH1 ARG 7 1.738 3.408 -6.662
46 HH12 ARG 7 1HH1 ARG 7 2.128 4.411 -8.029
47 HH21 ARG 7 2HH2 ARG 7 -0.955 3.868 -9.635
48 HH22 ARG 7 1HH2 ARG 7 0.565 4.708 -9.701
49 H LYS 8 H LYS 8 -3.244 -1.181 -4.327
50 HA LYS 8 HA LYS 8 -5.577 -1.006 -6.087
51 HB2 LYS 8 2HB LYS 8 -5.839 -2.507 -4.205
52 HB3 LYS 8 3HB LYS 8 -5.312 -1.254 -3.069
53 HG2 LYS 8 2HG LYS 8 -7.725 -1.582 -2.983
54 HG3 LYS 8 3HG LYS 8 -7.308 0.045 -3.545
55 HD2 LYS 8 2HD LYS 8 -7.636 -0.730 -5.896
56 HD3 LYS 8 3HD LYS 8 -8.192 -2.284 -5.247
57 HE2 LYS 8 2HE LYS 8 -10.089 -0.844 -5.819
58 HE3 LYS 8 3HE LYS 8 -10.018 -1.161 -4.078
59 HZ1 LYS 8 3HZ LYS 8 -10.504 1.171 -4.583
60 HZ2 LYS 8 1HZ LYS 8 -9.025 1.318 -5.394
61 HZ3 LYS 8 2HZ LYS 8 -9.059 1.010 -3.726
62 H ALA 9 H ALA 9 -6.358 0.929 -6.622
63 HA ALA 9 HA ALA 9 -4.768 3.174 -5.846
64 HB1 ALA 9 1HB ALA 9 -5.475 2.834 -8.154
65 HB2 ALA 9 2HB ALA 9 -7.158 3.069 -7.676
66 HB3 ALA 9 3HB ALA 9 -6.005 4.399 -7.536
67 H CYS 10 H CYS 10 -5.088 4.327 -4.125
68 HA CYS 10 HA CYS 10 -7.751 5.471 -3.758
69 HB2 CYS 10 2HB CYS 10 -7.623 5.426 -1.382
70 HB3 CYS 10 3HB CYS 10 -7.237 3.781 -1.926
71 H THR 11 H THR 11 -7.633 7.719 -3.047
72 HA THR 11 HA THR 11 -4.988 8.929 -3.213
73 HB THR 11 HB THR 11 -7.118 9.735 -5.198
74 HG1 THR 11 1HG THR 11 -4.865 8.006 -5.523
75 HG21 THR 11 3HG2 THR 11 -5.308 10.933 -6.273
76 HG22 THR 11 1HG2 THR 11 -4.165 10.329 -5.072
77 HG23 THR 11 2HG2 THR 11 -5.448 11.438 -4.590
78 H ARG 12 H ARG 12 -5.567 9.530 -1.069
79 HA ARG 12 HA ARG 12 -7.408 11.819 -0.983
80 HB2 ARG 12 2HB ARG 12 -7.566 11.413 1.450
81 HB3 ARG 12 3HB ARG 12 -8.124 10.029 0.498
82 HG2 ARG 12 2HG ARG 12 -5.951 8.925 0.828
83 HG3 ARG 12 3HG ARG 12 -5.436 10.293 1.828
84 HD2 ARG 12 2HD ARG 12 -7.369 9.832 3.347
85 HD3 ARG 12 3HD ARG 12 -7.694 8.379 2.389
86 HE ARG 12 HE ARG 12 -5.113 8.046 3.045
87 HH11 ARG 12 2HH1 ARG 12 -7.980 8.767 4.920
88 HH12 ARG 12 1HH1 ARG 12 -7.330 8.138 6.411
89 HH21 ARG 12 2HH2 ARG 12 -4.270 7.178 5.000
90 HH22 ARG 12 1HH2 ARG 12 -5.229 7.215 6.447
91 H GLU 13 H GLU 13 -4.241 10.916 -1.039
92 HA GLU 13 HA GLU 13 -3.056 13.371 -0.553
93 HB2 GLU 13 2HB GLU 13 -3.819 13.038 1.786
94 HB3 GLU 13 3HB GLU 13 -2.941 11.503 1.839
95 HG2 GLU 13 2HG GLU 13 -1.698 13.222 2.991
96 HG3 GLU 13 3HG GLU 13 -0.834 12.687 1.543
97 HE2 GLU 13 HE GLU 13 -1.001 15.812 0.100
98 H TRP 14 H TRP 14 -0.662 13.134 -0.641
99 HA TRP 14 HA TRP 14 0.081 10.414 -1.486
100 HB2 TRP 14 2HB TRP 14 0.209 12.089 -3.302
101 HB3 TRP 14 3HB TRP 14 1.353 13.022 -2.338
102 HD1 TRP 14 1HD TRP 14 3.883 12.245 -2.317
103 HE1 TRP 14 1HE TRP 14 5.201 10.455 -3.608
104 HE3 TRP 14 3HE TRP 14 -0.035 9.675 -4.372
105 HZ2 TRP 14 2HZ TRP 14 4.657 8.253 -5.279
106 HZ3 TRP 14 3HZ TRP 14 0.458 7.740 -5.814
107 HH2 TRP 14 2HH TRP 14 2.758 7.047 -6.256
108 H TYR 15 H TYR 15 0.674 9.674 0.507
109 HA TYR 15 HA TYR 15 3.318 10.628 1.347
110 HB2 TYR 15 2HB TYR 15 1.130 9.337 3.007
111 HB3 TYR 15 3HB TYR 15 2.821 9.332 3.512
112 HD1 TYR 15 2HD TYR 15 3.975 11.708 3.556
113 HD2 TYR 15 1HD TYR 15 -0.217 11.049 3.782
114 HE1 TYR 15 2HE TYR 15 3.701 13.895 4.646
115 HE2 TYR 15 1HE TYR 15 -0.509 13.231 4.876
116 HH TYR 15 HH TYR 15 1.969 15.581 5.004
117 HA PRO 16 HA PRO 16 3.504 6.705 -0.725
118 HB2 PRO 16 2HB PRO 16 5.964 6.919 -1.794
119 HB3 PRO 16 3HB PRO 16 4.597 7.865 -2.384
120 HG2 PRO 16 2HG PRO 16 6.813 8.665 -0.539
121 HG3 PRO 16 3HG PRO 16 6.065 9.583 -1.899
122 HD2 PRO 16 2HD PRO 16 5.468 9.930 0.798
123 HD3 PRO 16 3HD PRO 16 4.413 10.387 -0.550
124 H VAL 17 H VAL 17 4.095 4.750 -0.042
125 HA VAL 17 HA VAL 17 6.469 4.446 1.631
126 HB VAL 17 HB VAL 17 5.321 2.980 3.227
127 HG11 VAL 17 1HG1 VAL 17 4.065 5.713 3.053
128 HG12 VAL 17 2HG1 VAL 17 4.095 4.684 4.484
129 HG13 VAL 17 3HG1 VAL 17 5.603 5.316 3.816
130 HG21 VAL 17 3HG2 VAL 17 3.499 2.168 1.893
131 HG22 VAL 17 1HG2 VAL 17 2.845 2.960 3.330
132 HG23 VAL 17 2HG2 VAL 17 2.809 3.788 1.772
133 H CYS 18 H CYS 18 6.909 2.043 1.935
134 HA CYS 18 HA CYS 18 6.171 0.648 -0.550
135 HB2 CYS 18 2HB CYS 18 8.493 1.420 -0.513
136 HB3 CYS 18 3HB CYS 18 8.771 0.514 0.983
137 H GLY 19 H GLY 19 5.160 -1.212 -0.306
138 HA2 GLY 19 2HA GLY 19 4.827 -2.412 2.305
139 HA3 GLY 19 3HA GLY 19 4.197 -3.027 0.769
140 H SER 20 H SER 20 5.599 -4.409 2.961
141 HA SER 20 HA SER 20 8.299 -4.793 2.501
142 HB2 SER 20 2HB SER 20 7.133 -5.429 4.576
143 HB3 SER 20 3HB SER 20 6.367 -6.772 3.713
144 HG SER 20 HG SER 20 8.719 -7.313 3.189
145 H ASP 21 H ASP 21 5.749 -5.947 0.568
146 HA ASP 21 HA ASP 21 7.179 -8.201 -0.515
147 HB2 ASP 21 2HB ASP 21 4.743 -8.166 -0.573
148 HB3 ASP 21 3HB ASP 21 4.766 -6.678 -1.529
149 HD2 ASP 21 HD ASP 21 5.822 -10.007 -3.432
150 H GLY 22 H GLY 22 7.553 -4.915 -0.732
151 HA2 GLY 22 2HA GLY 22 9.209 -3.795 -1.976
152 HA3 GLY 22 3HA GLY 22 9.187 -5.118 -3.146
153 H VAL 23 H VAL 23 6.277 -3.586 -1.952
154 HA VAL 23 HA VAL 23 5.735 -2.758 -4.721
155 HB VAL 23 HB VAL 23 4.197 -4.404 -4.075
156 HG11 VAL 23 1HG1 VAL 23 2.877 -4.320 -2.008
157 HG12 VAL 23 2HG1 VAL 23 4.611 -4.428 -1.701
158 HG13 VAL 23 3HG1 VAL 23 3.777 -2.887 -1.514
159 HG21 VAL 23 3HG2 VAL 23 2.028 -3.257 -4.038
160 HG22 VAL 23 1HG2 VAL 23 2.844 -1.742 -3.657
161 HG23 VAL 23 2HG2 VAL 23 3.132 -2.532 -5.205
162 H THR 24 H THR 24 4.992 -0.743 -5.215
163 HA THR 24 HA THR 24 5.600 1.376 -3.356
164 HB THR 24 HB THR 24 4.535 1.426 -6.188
165 HG1 THR 24 1HG THR 24 6.649 0.643 -6.080
166 HG21 THR 24 3HG2 THR 24 3.915 3.471 -5.015
167 HG22 THR 24 1HG2 THR 24 5.171 3.795 -6.214
168 HG23 THR 24 2HG2 THR 24 5.588 3.699 -4.501
169 H TYR 25 H TYR 25 4.168 2.234 -1.989
170 HA TYR 25 HA TYR 25 1.333 2.112 -2.711
171 HB2 TYR 25 2HB TYR 25 2.754 2.163 -0.061
172 HB3 TYR 25 3HB TYR 25 1.040 2.494 -0.214
173 HD1 TYR 25 2HD TYR 25 -0.283 0.748 -1.715
174 HD2 TYR 25 1HD TYR 25 3.340 -0.049 0.348
175 HE1 TYR 25 2HE TYR 25 -0.767 -1.652 -1.820
176 HE2 TYR 25 1HE TYR 25 2.870 -2.458 0.242
177 HH TYR 25 HH TYR 25 0.379 -3.753 -1.728
178 H SER 26 H SER 26 0.091 3.830 -2.742
179 HA SER 26 HA SER 26 1.316 6.326 -3.321
180 HB2 SER 26 2HB SER 26 -1.598 5.541 -3.040
181 HB3 SER 26 3HB SER 26 -1.024 7.074 -3.712
182 HG SER 26 HG SER 26 -0.124 5.998 -5.419
183 H ASN 27 H ASN 27 -0.558 5.129 -0.574
184 HA ASN 27 HA ASN 27 0.530 6.962 1.232
185 HB2 ASN 27 2HB ASN 27 -1.159 8.546 1.636
186 HB3 ASN 27 3HB ASN 27 -1.090 8.466 -0.130
187 HD21 ASN 27 1HD2 ASN 27 -2.840 7.773 -1.261
188 HD22 ASN 27 2HD2 ASN 27 -4.344 7.328 -0.535
189 HA PRO 28 HA PRO 28 -0.904 4.323 4.419
190 HB2 PRO 28 2HB PRO 28 -3.094 6.234 5.223
191 HB3 PRO 28 3HB PRO 28 -1.937 5.353 6.220
192 HG2 PRO 28 2HG PRO 28 -1.584 7.921 5.622
193 HG3 PRO 28 3HG PRO 28 -0.187 6.785 5.697
194 HD2 PRO 28 2HD PRO 28 -1.515 8.047 3.350
195 HD3 PRO 28 3HD PRO 28 0.159 7.512 3.554
196 H CYS 29 H CYS 29 -3.815 5.720 2.770
197 HA CYS 29 HA CYS 29 -5.485 3.567 3.540
198 HB2 CYS 29 2HB CYS 29 -7.004 4.279 1.707
199 HB3 CYS 29 3HB CYS 29 -6.566 5.564 2.843
200 H ASN 30 H ASN 30 -3.309 4.016 0.899
201 HA ASN 30 HA ASN 30 -4.286 1.951 -0.750
202 HB2 ASN 30 2HB ASN 30 -2.929 3.782 -1.602
203 HB3 ASN 30 3HB ASN 30 -1.571 3.273 -0.590
204 HD21 ASN 30 1HD2 ASN 30 -3.443 0.808 -2.096
205 HD22 ASN 30 2HD2 ASN 30 -2.309 0.430 -3.331
206 H PHE 31 H PHE 31 -1.594 2.094 1.565
207 HA PHE 31 HA PHE 31 -0.904 -0.628 1.371
208 HB2 PHE 31 1HB PHE 31 0.635 1.028 2.312
209 HB3 PHE 31 2HB PHE 31 -0.487 1.347 3.635
210 HD1 PHE 31 1HD PHE 31 -0.771 -0.231 5.461
211 HD2 PHE 31 2HD PHE 31 2.002 -0.995 2.321
212 HE1 PHE 31 1HE PHE 31 0.297 -1.972 6.828
213 HE2 PHE 31 2HE PHE 31 3.069 -2.733 3.684
214 HZ PHE 31 HZ PHE 31 2.217 -3.230 5.934
215 H SER 32 H SER 32 -3.006 1.200 3.558
216 HA SER 32 HA SER 32 -3.581 -0.886 5.330
217 HB2 SER 32 2HB SER 32 -3.999 1.439 5.905
218 HB3 SER 32 3HB SER 32 -5.207 1.566 4.615
219 HG SER 32 HG SER 32 -6.638 0.552 5.803
220 H ALA 33 H ALA 33 -5.444 0.279 2.501
221 HA ALA 33 HA ALA 33 -7.541 -1.595 2.885
222 HB1 ALA 33 1HB ALA 33 -8.366 -0.891 0.733
223 HB2 ALA 33 2HB ALA 33 -7.830 0.516 1.647
224 HB3 ALA 33 3HB ALA 33 -6.822 -0.131 0.353
225 H GLN 34 H GLN 34 -4.734 -1.556 0.686
226 HA GLN 34 HA GLN 34 -5.518 -3.926 -0.653
227 HB2 GLN 34 2HB GLN 34 -3.996 -2.359 -1.694
228 HB3 GLN 34 3HB GLN 34 -2.803 -2.620 -0.414
229 HG2 GLN 34 2HG GLN 34 -2.179 -4.685 -1.200
230 HG3 GLN 34 3HG GLN 34 -3.716 -4.942 -2.035
231 HE21 GLN 34 1HE2 GLN 34 -2.632 -5.512 -3.936
232 HE22 GLN 34 2HE2 GLN 34 -1.865 -4.321 -4.928
233 H GLN 35 H GLN 35 -3.732 -3.297 2.253
234 HA GLN 35 HA GLN 35 -2.696 -5.957 2.483
235 HB2 GLN 35 2HB GLN 35 -2.644 -3.471 4.093
236 HB3 GLN 35 3HB GLN 35 -2.388 -4.994 4.950
237 HG2 GLN 35 2HG GLN 35 -0.358 -3.655 4.112
238 HG3 GLN 35 3HG GLN 35 -0.376 -5.404 3.905
239 HE21 GLN 35 1HE2 GLN 35 1.019 -3.228 2.579
240 HE22 GLN 35 2HE2 GLN 35 0.770 -3.498 0.890
241 H GLU 36 H GLU 36 -5.388 -4.167 3.975
242 HA GLU 36 HA GLU 36 -6.022 -6.207 5.822
243 HB2 GLU 36 2HB GLU 36 -8.128 -5.052 6.199
244 HB3 GLU 36 3HB GLU 36 -6.785 -3.901 6.138
245 HG2 GLU 36 2HG GLU 36 -7.399 -3.198 3.921
246 HG3 GLU 36 3HG GLU 36 -8.652 -4.442 3.840
247 HE2 GLU 36 HE GLU 36 -10.880 -2.526 5.658
248 H GLN 37 H GLN 37 -7.070 -5.614 2.501
249 HA GLN 37 HA GLN 37 -8.959 -7.838 2.757
250 HB2 GLN 37 2HB GLN 37 -9.903 -7.102 0.657
251 HB3 GLN 37 3HB GLN 37 -9.747 -5.725 1.756
252 HG2 GLN 37 2HG GLN 37 -7.460 -5.383 0.527
253 HG3 GLN 37 3HG GLN 37 -8.248 -6.341 -0.736
254 HE21 GLN 37 1HE2 GLN 37 -7.386 -3.551 -0.691
255 HE22 GLN 37 2HE2 GLN 37 -8.782 -2.615 -1.065
256 H CYS 38 H CYS 38 -5.928 -7.035 1.143
257 HA CYS 38 HA CYS 38 -6.195 -9.488 -0.452
258 HB2 CYS 38 2HB CYS 38 -4.473 -7.070 -0.995
259 HB3 CYS 38 3HB CYS 38 -4.628 -8.491 -2.043
260 H ASP 39 H ASP 39 -3.399 -7.591 0.851
261 HA ASP 39 HA ASP 39 -2.235 -10.214 1.552
262 HB2 ASP 39 2HB ASP 39 -1.220 -8.922 -0.484
263 HB3 ASP 39 3HB ASP 39 -0.480 -7.909 0.765
264 HD2 ASP 39 HD ASP 39 1.401 -10.725 1.936
265 HA PRO 40 HA PRO 40 -2.408 -7.715 5.380
266 HB2 PRO 40 2HB PRO 40 -2.986 -9.792 7.042
267 HB3 PRO 40 3HB PRO 40 -4.205 -8.980 6.062
268 HG2 PRO 40 2HG PRO 40 -2.723 -11.529 5.525
269 HG3 PRO 40 3HG PRO 40 -4.481 -11.172 5.342
270 HD2 PRO 40 2HD PRO 40 -2.731 -11.214 3.247
271 HD3 PRO 40 3HD PRO 40 -4.162 -10.173 3.298
272 H ASN 41 H ASN 41 -0.325 -10.107 4.222
273 HA ASN 41 HA ASN 41 0.969 -10.641 6.760
274 HB2 ASN 41 2HB ASN 41 1.465 -11.720 3.982
275 HB3 ASN 41 3HB ASN 41 2.363 -12.224 5.417
276 HD21 ASN 41 1HD2 ASN 41 0.020 -12.048 7.162
277 HD22 ASN 41 2HD2 ASN 41 -0.950 -13.426 6.786
278 H ILE 42 H ILE 42 1.433 -8.368 4.260
279 HA ILE 42 HA ILE 42 4.300 -8.225 4.819
280 HB ILE 42 HB ILE 42 4.578 -6.712 3.043
281 HG12 ILE 42 2HG1 ILE 42 1.572 -6.459 2.888
282 HG13 ILE 42 3HG1 ILE 42 2.669 -5.244 3.565
283 HG21 ILE 42 1HG2 ILE 42 4.187 -9.005 2.317
284 HG22 ILE 42 2HG2 ILE 42 2.457 -8.677 2.183
285 HG23 ILE 42 3HG2 ILE 42 3.599 -7.846 1.124
286 HD11 ILE 42 3HD1 ILE 42 2.630 -6.168 0.702
287 HD12 ILE 42 1HD1 ILE 42 1.997 -4.640 1.326
288 HD13 ILE 42 2HD1 ILE 42 3.732 -4.969 1.387
289 H THR 43 H THR 43 5.286 -6.202 5.341
290 HA THR 43 HA THR 43 3.580 -4.460 6.991
291 HB THR 43 HB THR 43 5.615 -4.109 8.416
292 HG1 THR 43 1HG THR 43 6.826 -6.446 7.635
293 HG21 THR 43 3HG2 THR 43 4.630 -6.955 8.205
294 HG22 THR 43 1HG2 THR 43 3.876 -5.661 9.131
295 HG23 THR 43 2HG2 THR 43 5.466 -6.265 9.597
296 H ILE 44 H ILE 44 4.609 -2.222 7.284
297 HA ILE 44 HA ILE 44 5.403 -1.170 4.755
298 HB ILE 44 HB ILE 44 5.605 0.106 7.497
299 HG12 ILE 44 2HG1 ILE 44 3.495 0.346 5.338
300 HG13 ILE 44 3HG1 ILE 44 3.304 -0.499 6.883
301 HG21 ILE 44 1HG2 ILE 44 7.088 1.183 5.889
302 HG22 ILE 44 2HG2 ILE 44 5.751 1.354 4.753
303 HG23 ILE 44 3HG2 ILE 44 5.726 2.234 6.279
304 HD11 ILE 44 3HD1 ILE 44 2.223 1.679 6.936
305 HD12 ILE 44 1HD1 ILE 44 3.561 1.611 8.083
306 HD13 ILE 44 2HD1 ILE 44 3.754 2.460 6.550
307 H ALA 45 H ALA 45 7.335 -1.265 3.866
308 HA ALA 45 HA ALA 45 9.578 -2.287 5.386
309 HB1 ALA 45 1HB ALA 45 10.731 -2.320 3.203
310 HB2 ALA 45 2HB ALA 45 9.190 -3.177 3.173
311 HB3 ALA 45 3HB ALA 45 9.317 -1.564 2.471
312 H HIS 46 H HIS 46 8.926 0.605 3.420
313 HA HIS 46 HA HIS 46 10.333 2.269 5.259
314 HB2 HIS 46 2HB HIS 46 12.079 3.093 3.808
315 HB3 HIS 46 3HB HIS 46 12.255 1.349 3.988
316 HD1 HIS 46 1HD HIS 46 11.493 3.984 1.450
317 HD2 HIS 46 2HD HIS 46 11.874 -0.156 1.644
318 HE1 HIS 46 1HE HIS 46 11.590 3.197 -0.937
319 HE2 HIS 46 2HE HIS 46 12.092 0.729 -0.779
320 H MET 47 H MET 47 10.164 4.538 4.719
321 HA MET 47 HA MET 47 7.767 5.135 3.246
322 HB2 MET 47 2HB MET 47 9.822 6.940 4.548
323 HB3 MET 47 3HB MET 47 8.335 7.515 3.780
324 HG2 MET 47 2HG MET 47 7.038 6.106 5.393
325 HG3 MET 47 3HG MET 47 8.564 5.767 6.214
326 HE1 MET 47 3HE MET 47 6.739 9.991 5.869
327 HE2 MET 47 1HE MET 47 7.476 9.151 4.504
328 HE3 MET 47 2HE MET 47 5.981 8.539 5.215
329 H GLY 48 H GLY 48 7.624 6.437 1.392
330 HA2 GLY 48 2HA GLY 48 8.606 7.487 -0.532
331 HA3 GLY 48 3HA GLY 48 10.089 6.577 -0.212
332 H GLU 49 H GLU 49 8.536 6.727 -2.675
333 HA GLU 49 HA GLU 49 7.041 4.314 -2.948
334 HB2 GLU 49 2HB GLU 49 7.151 4.805 -5.406
335 HB3 GLU 49 3HB GLU 49 6.477 6.103 -4.410
336 HG2 GLU 49 2HG GLU 49 9.370 6.121 -5.197
337 HG3 GLU 49 3HG GLU 49 8.114 6.697 -6.303
338 HE2 GLU 49 HE GLU 49 7.617 9.590 -4.465
339 H CYS 50 H CYS 50 7.563 2.455 -4.136
340 HA CYS 50 HA CYS 50 10.414 1.791 -4.034
341 HB2 CYS 50 1HB CYS 50 7.958 0.401 -3.342
342 HB3 CYS 50 2HB CYS 50 8.995 -0.574 -4.390
Start of MODEL 15
1 H1 ALA 1 1H ALA 1 -11.774 -6.815 -0.484
2 H2 ALA 1 2H ALA 1 -13.210 -7.140 -1.316
3 H3 ALA 1 3H ALA 1 -12.681 -5.537 -1.143
4 HA ALA 1 HA ALA 1 -12.249 -6.267 -3.352
5 HB1 ALA 1 2HB ALA 1 -9.703 -6.161 -1.740
6 HB2 ALA 1 3HB ALA 1 -9.848 -5.876 -3.478
7 HB3 ALA 1 1HB ALA 1 -10.611 -4.770 -2.335
8 H GLU 2 H GLU 2 -10.993 -8.459 -0.910
9 HA GLU 2 HA GLU 2 -10.707 -10.700 -0.910
10 HB2 GLU 2 2HB GLU 2 -12.816 -10.803 -2.155
11 HB3 GLU 2 3HB GLU 2 -11.928 -10.606 -3.673
12 HG2 GLU 2 2HG GLU 2 -10.700 -12.734 -3.118
13 HG3 GLU 2 3HG GLU 2 -11.857 -12.946 -1.794
14 HE2 GLU 2 HE GLU 2 -13.007 -13.783 -5.445
15 H ASP 3 H ASP 3 -10.192 -10.186 -4.390
16 HA ASP 3 HA ASP 3 -7.366 -10.879 -3.949
17 HB2 ASP 3 2HB ASP 3 -8.433 -12.761 -5.031
18 HB3 ASP 3 3HB ASP 3 -9.151 -11.700 -6.248
19 HD2 ASP 3 HD ASP 3 -5.364 -12.747 -6.674
20 H CYS 4 H CYS 4 -6.240 -9.141 -4.231
21 HA CYS 4 HA CYS 4 -6.214 -7.938 -6.842
22 HB2 CYS 4 2HB CYS 4 -6.287 -5.651 -6.082
23 HB3 CYS 4 3HB CYS 4 -7.773 -6.473 -5.584
24 H VAL 5 H VAL 5 -4.087 -7.244 -7.358
25 HA VAL 5 HA VAL 5 -2.172 -8.065 -5.281
26 HB VAL 5 HB VAL 5 -2.235 -9.627 -7.164
27 HG11 VAL 5 1HG1 VAL 5 -1.345 -8.928 -9.363
28 HG12 VAL 5 2HG1 VAL 5 -2.884 -8.164 -8.960
29 HG13 VAL 5 3HG1 VAL 5 -1.383 -7.254 -8.802
30 HG21 VAL 5 3HG2 VAL 5 0.322 -8.039 -6.985
31 HG22 VAL 5 1HG2 VAL 5 -0.169 -9.356 -5.919
32 HG23 VAL 5 2HG2 VAL 5 0.172 -9.680 -7.620
33 H GLY 6 H GLY 6 -0.988 -6.524 -4.486
34 HA2 GLY 6 2HA GLY 6 1.002 -5.234 -4.874
35 HA3 GLY 6 3HA GLY 6 0.270 -4.667 -6.382
36 H ARG 7 H ARG 7 -1.306 -3.073 -6.324
37 HA ARG 7 HA ARG 7 -1.710 -1.775 -3.736
38 HB2 ARG 7 2HB ARG 7 -1.353 0.435 -4.672
39 HB3 ARG 7 3HB ARG 7 0.099 -0.556 -4.872
40 HG2 ARG 7 2HG ARG 7 -1.928 -0.170 -7.070
41 HG3 ARG 7 3HG ARG 7 -0.542 0.905 -6.823
42 HD2 ARG 7 2HD ARG 7 0.988 -1.013 -7.054
43 HD3 ARG 7 3HD ARG 7 -0.406 -2.065 -7.333
44 HE ARG 7 HE ARG 7 -0.388 0.101 -9.175
45 HH11 ARG 7 2HH1 ARG 7 1.179 -2.958 -8.463
46 HH12 ARG 7 1HH1 ARG 7 1.582 -3.285 -10.120
47 HH21 ARG 7 2HH2 ARG 7 0.165 -0.315 -11.356
48 HH22 ARG 7 1HH2 ARG 7 1.019 -1.774 -11.767
49 H LYS 8 H LYS 8 -3.728 -1.086 -3.385
50 HA LYS 8 HA LYS 8 -5.601 -1.048 -5.616
51 HB2 LYS 8 2HB LYS 8 -5.847 -1.272 -2.679
52 HB3 LYS 8 3HB LYS 8 -7.075 -0.253 -3.444
53 HG2 LYS 8 2HG LYS 8 -6.483 -3.139 -4.111
54 HG3 LYS 8 3HG LYS 8 -7.882 -2.523 -3.212
55 HD2 LYS 8 2HD LYS 8 -8.588 -1.237 -5.189
56 HD3 LYS 8 3HD LYS 8 -7.208 -1.894 -6.085
57 HE2 LYS 8 2HE LYS 8 -8.102 -4.193 -5.666
58 HE3 LYS 8 3HE LYS 8 -9.533 -3.438 -4.947
59 HZ1 LYS 8 3HZ LYS 8 -9.908 -4.025 -7.264
60 HZ2 LYS 8 1HZ LYS 8 -8.601 -3.056 -7.743
61 HZ3 LYS 8 2HZ LYS 8 -9.981 -2.343 -7.055
62 H ALA 9 H ALA 9 -6.406 0.880 -6.437
63 HA ALA 9 HA ALA 9 -4.694 3.113 -5.960
64 HB1 ALA 9 1HB ALA 9 -5.897 4.198 -7.753
65 HB2 ALA 9 2HB ALA 9 -5.536 2.529 -8.192
66 HB3 ALA 9 3HB ALA 9 -7.164 2.973 -7.679
67 H CYS 10 H CYS 10 -4.888 4.535 -4.461
68 HA CYS 10 HA CYS 10 -7.503 5.691 -3.814
69 HB2 CYS 10 2HB CYS 10 -6.979 4.124 -2.017
70 HB3 CYS 10 3HB CYS 10 -5.364 4.829 -1.837
71 H THR 11 H THR 11 -7.325 7.986 -3.345
72 HA THR 11 HA THR 11 -4.705 9.206 -3.471
73 HB THR 11 HB THR 11 -6.628 9.884 -5.695
74 HG1 THR 11 1HG THR 11 -4.782 7.788 -5.483
75 HG21 THR 11 3HG2 THR 11 -4.961 11.563 -5.194
76 HG22 THR 11 1HG2 THR 11 -4.576 10.785 -6.729
77 HG23 THR 11 2HG2 THR 11 -3.679 10.353 -5.271
78 H ARG 12 H ARG 12 -6.405 9.421 -1.406
79 HA ARG 12 HA ARG 12 -7.620 12.080 -1.650
80 HB2 ARG 12 2HB ARG 12 -8.438 11.624 0.686
81 HB3 ARG 12 3HB ARG 12 -9.058 10.519 -0.550
82 HG2 ARG 12 2HG ARG 12 -7.517 8.790 0.135
83 HG3 ARG 12 3HG ARG 12 -6.755 9.901 1.289
84 HD2 ARG 12 2HD ARG 12 -8.730 10.009 2.630
85 HD3 ARG 12 3HD ARG 12 -9.667 9.149 1.400
86 HE ARG 12 HE ARG 12 -8.506 7.142 1.968
87 HH11 ARG 12 2HH1 ARG 12 -7.728 9.841 4.062
88 HH12 ARG 12 1HH1 ARG 12 -7.281 8.832 5.407
89 HH21 ARG 12 2HH2 ARG 12 -7.992 5.808 3.780
90 HH22 ARG 12 1HH2 ARG 12 -7.440 6.561 5.250
91 H GLU 13 H GLU 13 -4.707 10.861 -1.159
92 HA GLU 13 HA GLU 13 -3.529 13.098 0.085
93 HB2 GLU 13 2HB GLU 13 -4.559 12.103 2.105
94 HB3 GLU 13 3HB GLU 13 -3.731 10.577 1.762
95 HG2 GLU 13 2HG GLU 13 -1.563 11.678 2.073
96 HG3 GLU 13 3HG GLU 13 -2.405 13.191 2.441
97 HE2 GLU 13 HE GLU 13 -2.979 12.237 5.681
98 H TRP 14 H TRP 14 -1.157 12.828 0.065
99 HA TRP 14 HA TRP 14 -0.312 10.322 -1.214
100 HB2 TRP 14 2HB TRP 14 -0.453 12.115 -2.910
101 HB3 TRP 14 3HB TRP 14 0.673 13.082 -1.958
102 HD1 TRP 14 1HD TRP 14 3.256 12.489 -2.092
103 HE1 TRP 14 1HE TRP 14 4.633 10.961 -3.643
104 HE3 TRP 14 3HE TRP 14 -0.571 9.852 -4.224
105 HZ2 TRP 14 2HZ TRP 14 4.149 8.910 -5.516
106 HZ3 TRP 14 3HZ TRP 14 -0.024 8.129 -5.888
107 HH2 TRP 14 2HH TRP 14 2.286 7.668 -6.521
108 H TYR 15 H TYR 15 0.480 9.520 0.701
109 HA TYR 15 HA TYR 15 3.128 10.578 1.330
110 HB2 TYR 15 2HB TYR 15 1.166 9.223 3.198
111 HB3 TYR 15 3HB TYR 15 2.901 9.267 3.525
112 HD1 TYR 15 1HD TYR 15 3.995 11.672 3.445
113 HD2 TYR 15 2HD TYR 15 -0.137 10.912 4.083
114 HE1 TYR 15 1HE TYR 15 3.768 13.867 4.531
115 HE2 TYR 15 2HE TYR 15 -0.381 13.105 5.166
116 HH TYR 15 HH TYR 15 1.895 15.533 4.939
117 HA PRO 16 HA PRO 16 3.365 6.686 -0.768
118 HB2 PRO 16 2HB PRO 16 5.772 7.007 -1.936
119 HB3 PRO 16 3HB PRO 16 4.342 7.893 -2.466
120 HG2 PRO 16 2HG PRO 16 6.597 8.787 -0.716
121 HG3 PRO 16 3HG PRO 16 5.746 9.678 -2.033
122 HD2 PRO 16 2HD PRO 16 5.261 9.985 0.689
123 HD3 PRO 16 3HD PRO 16 4.124 10.399 -0.605
124 H VAL 17 H VAL 17 4.046 4.750 -0.137
125 HA VAL 17 HA VAL 17 6.472 4.496 1.480
126 HB VAL 17 HB VAL 17 5.433 3.061 3.130
127 HG11 VAL 17 1HG1 VAL 17 5.469 5.415 3.666
128 HG12 VAL 17 2HG1 VAL 17 3.916 5.648 2.868
129 HG13 VAL 17 3HG1 VAL 17 4.021 4.664 4.329
130 HG21 VAL 17 3HG2 VAL 17 3.033 2.686 3.253
131 HG22 VAL 17 1HG2 VAL 17 2.799 3.600 1.762
132 HG23 VAL 17 2HG2 VAL 17 3.687 2.077 1.733
133 H CYS 18 H CYS 18 6.928 2.052 1.798
134 HA CYS 18 HA CYS 18 6.079 0.640 -0.642
135 HB2 CYS 18 2HB CYS 18 8.429 1.329 -0.745
136 HB3 CYS 18 3HB CYS 18 8.748 0.445 0.762
137 H GLY 19 H GLY 19 5.196 -1.288 -0.390
138 HA2 GLY 19 2HA GLY 19 4.948 -2.419 2.282
139 HA3 GLY 19 3HA GLY 19 4.196 -3.024 0.799
140 H SER 20 H SER 20 5.620 -4.515 2.833
141 HA SER 20 HA SER 20 8.310 -4.942 2.293
142 HB2 SER 20 2HB SER 20 6.998 -5.596 4.357
143 HB3 SER 20 3HB SER 20 6.442 -7.011 3.446
144 HG SER 20 HG SER 20 8.429 -7.851 3.459
145 H ASP 21 H ASP 21 5.649 -5.991 0.427
146 HA ASP 21 HA ASP 21 6.953 -8.261 -0.768
147 HB2 ASP 21 2HB ASP 21 4.456 -7.926 -0.702
148 HB3 ASP 21 3HB ASP 21 4.655 -6.618 -1.871
149 HD2 ASP 21 HD ASP 21 4.795 -8.826 -4.492
150 H GLY 22 H GLY 22 7.489 -5.013 -0.850
151 HA2 GLY 22 2HA GLY 22 9.143 -3.895 -2.084
152 HA3 GLY 22 3HA GLY 22 9.061 -5.178 -3.302
153 H VAL 23 H VAL 23 6.158 -3.653 -2.041
154 HA VAL 23 HA VAL 23 5.703 -2.742 -4.802
155 HB VAL 23 HB VAL 23 4.147 -4.436 -4.186
156 HG11 VAL 23 1HG1 VAL 23 2.627 -4.188 -2.244
157 HG12 VAL 23 2HG1 VAL 23 4.325 -4.389 -1.801
158 HG13 VAL 23 3HG1 VAL 23 3.580 -2.792 -1.734
159 HG21 VAL 23 3HG2 VAL 23 2.765 -1.763 -3.993
160 HG22 VAL 23 1HG2 VAL 23 3.223 -2.581 -5.484
161 HG23 VAL 23 2HG2 VAL 23 2.007 -3.294 -4.425
162 H THR 24 H THR 24 5.036 -0.714 -5.260
163 HA THR 24 HA THR 24 5.533 1.322 -3.293
164 HB THR 24 HB THR 24 4.701 1.401 -6.193
165 HG1 THR 24 1HG THR 24 6.887 2.275 -6.349
166 HG21 THR 24 3HG2 THR 24 3.798 3.369 -5.047
167 HG22 THR 24 1HG2 THR 24 5.109 3.808 -6.143
168 HG23 THR 24 2HG2 THR 24 5.401 3.729 -4.406
169 H TYR 25 H TYR 25 4.061 2.098 -1.963
170 HA TYR 25 HA TYR 25 1.249 1.941 -2.726
171 HB2 TYR 25 2HB TYR 25 2.680 2.089 -0.090
172 HB3 TYR 25 3HB TYR 25 0.969 2.448 -0.232
173 HD1 TYR 25 2HD TYR 25 -0.526 0.683 -1.366
174 HD2 TYR 25 1HD TYR 25 3.353 -0.144 0.153
175 HE1 TYR 25 2HE TYR 25 -1.074 -1.708 -1.303
176 HE2 TYR 25 1HE TYR 25 2.819 -2.540 0.215
177 HH TYR 25 HH TYR 25 0.116 -3.868 -1.339
178 H SER 26 H SER 26 0.048 3.660 -2.960
179 HA SER 26 HA SER 26 1.322 6.131 -3.517
180 HB2 SER 26 2HB SER 26 -1.591 5.307 -3.442
181 HB3 SER 26 3HB SER 26 -1.013 6.858 -4.065
182 HG SER 26 HG SER 26 0.234 4.591 -5.076
183 H ASN 27 H ASN 27 -0.371 4.900 -0.746
184 HA ASN 27 HA ASN 27 0.426 7.002 0.930
185 HB2 ASN 27 2HB ASN 27 -1.824 7.959 1.473
186 HB3 ASN 27 3HB ASN 27 -1.239 8.372 -0.143
187 HD21 ASN 27 1HD2 ASN 27 -3.359 8.838 -0.784
188 HD22 ASN 27 2HD2 ASN 27 -4.480 7.572 -1.160
189 HA PRO 28 HA PRO 28 -0.627 4.155 4.209
190 HB2 PRO 28 2HB PRO 28 -2.472 5.642 5.754
191 HB3 PRO 28 3HB PRO 28 -0.722 5.594 5.957
192 HG2 PRO 28 2HG PRO 28 -2.422 7.570 4.509
193 HG3 PRO 28 3HG PRO 28 -0.934 7.835 5.491
194 HD2 PRO 28 2HD PRO 28 -0.877 7.957 2.814
195 HD3 PRO 28 3HD PRO 28 0.449 7.221 3.729
196 H CYS 29 H CYS 29 -3.372 5.943 2.902
197 HA CYS 29 HA CYS 29 -5.462 4.204 3.446
198 HB2 CYS 29 2HB CYS 29 -5.911 6.355 2.545
199 HB3 CYS 29 3HB CYS 29 -4.918 6.046 1.112
200 H ASN 30 H ASN 30 -3.361 4.309 0.598
201 HA ASN 30 HA ASN 30 -4.416 2.050 -0.689
202 HB2 ASN 30 2HB ASN 30 -3.187 3.678 -1.925
203 HB3 ASN 30 3HB ASN 30 -1.768 3.482 -0.890
204 HD21 ASN 30 1HD2 ASN 30 -3.504 0.669 -1.968
205 HD22 ASN 30 2HD2 ASN 30 -2.322 0.149 -3.115
206 H PHE 31 H PHE 31 -1.632 2.407 1.508
207 HA PHE 31 HA PHE 31 -0.707 -0.249 1.271
208 HB2 PHE 31 1HB PHE 31 0.662 1.569 2.188
209 HB3 PHE 31 2HB PHE 31 -0.425 1.713 3.568
210 HD1 PHE 31 2HD PHE 31 2.261 -0.305 2.060
211 HD2 PHE 31 1HD PHE 31 -0.374 0.115 5.383
212 HE1 PHE 31 2HE PHE 31 3.634 -1.873 3.343
213 HE2 PHE 31 1HE PHE 31 1.001 -1.464 6.669
214 HZ PHE 31 HZ PHE 31 3.004 -2.473 5.638
215 H SER 32 H SER 32 -2.844 1.278 3.683
216 HA SER 32 HA SER 32 -3.182 -1.044 5.249
217 HB2 SER 32 2HB SER 32 -3.632 1.233 6.088
218 HB3 SER 32 3HB SER 32 -5.015 1.350 4.990
219 HG SER 32 HG SER 32 -5.895 -0.525 6.104
220 H ALA 33 H ALA 33 -5.270 0.423 2.754
221 HA ALA 33 HA ALA 33 -7.358 -1.454 3.088
222 HB1 ALA 33 1HB ALA 33 -8.309 -0.498 1.067
223 HB2 ALA 33 2HB ALA 33 -7.713 0.771 2.138
224 HB3 ALA 33 3HB ALA 33 -6.781 0.310 0.711
225 H GLN 34 H GLN 34 -4.647 -1.273 0.847
226 HA GLN 34 HA GLN 34 -5.438 -3.359 -0.865
227 HB2 GLN 34 2HB GLN 34 -3.715 -1.801 -1.497
228 HB3 GLN 34 3HB GLN 34 -2.714 -2.288 -0.122
229 HG2 GLN 34 2HG GLN 34 -1.841 -3.222 -2.168
230 HG3 GLN 34 3HG GLN 34 -2.442 -4.505 -1.110
231 HE21 GLN 34 1HE2 GLN 34 -2.588 -5.848 -2.960
232 HE22 GLN 34 2HE2 GLN 34 -3.914 -5.697 -4.047
233 H GLN 35 H GLN 35 -3.509 -3.305 2.086
234 HA GLN 35 HA GLN 35 -2.916 -6.091 1.888
235 HB2 GLN 35 2HB GLN 35 -2.384 -3.945 3.904
236 HB3 GLN 35 3HB GLN 35 -1.949 -5.631 4.201
237 HG2 GLN 35 2HG GLN 35 -0.410 -5.709 2.492
238 HG3 GLN 35 3HG GLN 35 -1.152 -4.346 1.642
239 HE21 GLN 35 1HE2 GLN 35 0.882 -3.413 1.436
240 HE22 GLN 35 2HE2 GLN 35 1.588 -2.589 2.784
241 H GLU 36 H GLU 36 -5.177 -4.183 3.870
242 HA GLU 36 HA GLU 36 -5.975 -6.428 5.427
243 HB2 GLU 36 2HB GLU 36 -7.839 -5.054 6.186
244 HB3 GLU 36 3HB GLU 36 -6.319 -4.149 6.229
245 HG2 GLU 36 2HG GLU 36 -6.956 -3.109 4.045
246 HG3 GLU 36 3HG GLU 36 -8.536 -3.886 4.222
247 HE2 GLU 36 HE GLU 36 -9.565 -1.602 6.595
248 H GLN 37 H GLN 37 -6.869 -5.250 2.290
249 HA GLN 37 HA GLN 37 -9.197 -7.001 2.202
250 HB2 GLN 37 2HB GLN 37 -8.101 -4.976 0.248
251 HB3 GLN 37 3HB GLN 37 -9.525 -5.983 -0.067
252 HG2 GLN 37 2HG GLN 37 -10.748 -4.973 1.712
253 HG3 GLN 37 3HG GLN 37 -9.307 -4.126 2.291
254 HE21 GLN 37 1HE2 GLN 37 -8.411 -3.428 -0.377
255 HE22 GLN 37 2HE2 GLN 37 -9.444 -2.153 -0.923
256 H CYS 38 H CYS 38 -5.879 -6.960 1.050
257 HA CYS 38 HA CYS 38 -6.468 -9.403 -0.462
258 HB2 CYS 38 2HB CYS 38 -4.924 -7.051 -1.533
259 HB3 CYS 38 3HB CYS 38 -5.082 -8.619 -2.345
260 H ASP 39 H ASP 39 -3.745 -7.349 0.733
261 HA ASP 39 HA ASP 39 -2.111 -9.804 0.722
262 HB2 ASP 39 2HB ASP 39 -1.235 -6.956 0.165
263 HB3 ASP 39 3HB ASP 39 -0.151 -8.349 0.270
264 HD2 ASP 39 HD ASP 39 -1.400 -9.602 -2.819
265 HA PRO 40 HA PRO 40 -2.541 -7.851 4.948
266 HB2 PRO 40 2HB PRO 40 -2.999 -10.148 6.370
267 HB3 PRO 40 3HB PRO 40 -4.259 -9.240 5.540
268 HG2 PRO 40 2HG PRO 40 -2.772 -11.682 4.657
269 HG3 PRO 40 3HG PRO 40 -4.530 -11.304 4.524
270 HD2 PRO 40 2HD PRO 40 -2.786 -11.095 2.439
271 HD3 PRO 40 3HD PRO 40 -4.217 -10.065 2.619
272 H ASN 41 H ASN 41 -0.326 -10.078 3.627
273 HA ASN 41 HA ASN 41 0.951 -10.598 6.198
274 HB2 ASN 41 2HB ASN 41 1.441 -11.829 3.482
275 HB3 ASN 41 3HB ASN 41 2.247 -12.311 4.979
276 HD21 ASN 41 1HD2 ASN 41 1.023 -13.281 6.640
277 HD22 ASN 41 2HD2 ASN 41 -0.491 -14.057 6.303
278 H ILE 42 H ILE 42 1.308 -8.079 4.180
279 HA ILE 42 HA ILE 42 4.239 -8.178 4.521
280 HB ILE 42 HB ILE 42 4.580 -6.583 2.837
281 HG12 ILE 42 2HG1 ILE 42 1.595 -6.166 2.787
282 HG13 ILE 42 3HG1 ILE 42 2.826 -5.005 3.311
283 HG21 ILE 42 1HG2 ILE 42 2.422 -8.468 1.952
284 HG22 ILE 42 2HG2 ILE 42 3.443 -7.523 0.868
285 HG23 ILE 42 3HG2 ILE 42 4.164 -8.744 1.919
286 HD11 ILE 42 3HD1 ILE 42 2.430 -6.047 0.518
287 HD12 ILE 42 1HD1 ILE 42 2.098 -4.415 1.103
288 HD13 ILE 42 2HD1 ILE 42 3.759 -5.005 1.024
289 H THR 43 H THR 43 5.335 -6.310 5.198
290 HA THR 43 HA THR 43 3.747 -4.536 6.931
291 HB THR 43 HB THR 43 5.983 -4.348 8.215
292 HG1 THR 43 1HG THR 43 7.549 -5.538 7.435
293 HG21 THR 43 3HG2 THR 43 5.480 -6.358 9.548
294 HG22 THR 43 1HG2 THR 43 4.425 -6.942 8.263
295 HG23 THR 43 2HG2 THR 43 4.017 -5.467 9.139
296 H ILE 44 H ILE 44 4.940 -2.381 7.330
297 HA ILE 44 HA ILE 44 5.547 -1.159 4.856
298 HB ILE 44 HB ILE 44 6.285 -0.149 7.618
299 HG12 ILE 44 2HG1 ILE 44 3.780 0.342 5.986
300 HG13 ILE 44 3HG1 ILE 44 3.875 -0.665 7.439
301 HG21 ILE 44 1HG2 ILE 44 7.430 1.027 5.817
302 HG22 ILE 44 2HG2 ILE 44 5.887 1.313 5.008
303 HG23 ILE 44 3HG2 ILE 44 6.217 2.067 6.568
304 HD11 ILE 44 3HD1 ILE 44 4.328 2.306 7.310
305 HD12 ILE 44 1HD1 ILE 44 2.926 1.478 7.985
306 HD13 ILE 44 2HD1 ILE 44 4.503 1.312 8.755
307 H ALA 45 H ALA 45 7.340 -1.309 3.707
308 HA ALA 45 HA ALA 45 9.707 -2.519 4.848
309 HB1 ALA 45 1HB ALA 45 8.898 -3.213 2.634
310 HB2 ALA 45 2HB ALA 45 9.194 -1.583 2.026
311 HB3 ALA 45 3HB ALA 45 10.544 -2.581 2.568
312 H HIS 46 H HIS 46 8.836 0.549 3.295
313 HA HIS 46 HA HIS 46 10.535 2.011 5.006
314 HB2 HIS 46 2HB HIS 46 12.185 2.865 3.496
315 HB3 HIS 46 3HB HIS 46 12.267 1.104 3.466
316 HD1 HIS 46 1HD HIS 46 11.408 4.050 1.314
317 HD2 HIS 46 2HD HIS 46 11.631 -0.098 1.028
318 HE1 HIS 46 1HE HIS 46 11.293 3.529 -1.145
319 HE2 HIS 46 2HE HIS 46 11.681 1.041 -1.295
320 H MET 47 H MET 47 10.371 4.283 4.725
321 HA MET 47 HA MET 47 7.919 5.169 3.539
322 HB2 MET 47 2HB MET 47 10.238 6.723 4.726
323 HB3 MET 47 3HB MET 47 8.688 7.429 4.252
324 HG2 MET 47 2HG MET 47 9.066 5.324 6.386
325 HG3 MET 47 3HG MET 47 8.856 7.054 6.671
326 HE1 MET 47 3HE MET 47 6.702 7.907 4.561
327 HE2 MET 47 1HE MET 47 5.197 7.683 5.455
328 HE3 MET 47 2HE MET 47 6.605 8.383 6.256
329 H GLY 48 H GLY 48 7.686 6.515 1.722
330 HA2 GLY 48 2HA GLY 48 8.481 7.582 -0.248
331 HA3 GLY 48 3HA GLY 48 10.046 6.787 -0.005
332 H GLU 49 H GLU 49 8.321 6.823 -2.386
333 HA GLU 49 HA GLU 49 7.008 4.300 -2.546
334 HB2 GLU 49 2HB GLU 49 6.901 4.876 -5.037
335 HB3 GLU 49 3HB GLU 49 6.057 5.939 -3.902
336 HG2 GLU 49 2HG GLU 49 7.036 7.480 -5.265
337 HG3 GLU 49 3HG GLU 49 8.270 7.319 -4.008
338 HE2 GLU 49 HE GLU 49 10.572 6.406 -6.351
339 H CYS 50 H CYS 50 7.557 2.532 -3.928
340 HA CYS 50 HA CYS 50 10.346 1.912 -3.512
341 HB2 CYS 50 1HB CYS 50 7.905 0.487 -3.395
342 HB3 CYS 50 2HB CYS 50 8.921 -0.287 -4.622