Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628961 | 5w9f RC | 30312 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1H SER 1 1.744 -15.861 -0.660
2 H2 SER 1 2H SER 1 1.333 -14.634 -1.743
3 H3 SER 1 3H SER 1 0.823 -16.218 -2.030
4 HA SER 1 HA SER 1 -0.975 -14.850 -1.224
5 HB2 SER 1 2HB SER 1 -0.073 -16.940 0.812
6 HB3 SER 1 3HB SER 1 -1.731 -16.396 0.536
7 HG SER 1 HG SER 1 -1.869 -17.780 -1.021
8 H GLN 2 H GLN 2 -1.500 -13.110 -0.054
9 HA GLN 2 HA GLN 2 -1.646 -11.484 1.504
10 HB2 GLN 2 2HB GLN 2 -1.837 -13.443 3.065
11 HB3 GLN 2 3HB GLN 2 -0.098 -13.376 3.322
12 HG2 GLN 2 2HG GLN 2 -0.284 -11.221 4.423
13 HG3 GLN 2 3HG GLN 2 -2.005 -11.121 4.041
14 HE21 GLN 2 1HE2 GLN 2 0.406 -12.724 6.008
15 HE22 GLN 2 2HE2 GLN 2 -0.699 -13.368 7.172
16 H GLU 3 H GLU 3 0.990 -12.146 -0.101
17 HA GLU 3 HA GLU 3 3.115 -10.620 0.959
18 HB2 GLU 3 2HB GLU 3 4.063 -10.657 -1.288
19 HB3 GLU 3 3HB GLU 3 3.359 -12.228 -0.963
20 HG2 GLU 3 2HG GLU 3 2.029 -10.078 -2.640
21 HG3 GLU 3 3HG GLU 3 3.010 -11.379 -3.297
22 H THR 4 H THR 4 0.212 -9.829 -0.841
23 HA THR 4 HA THR 4 0.775 -7.121 -1.475
24 HB THR 4 HB THR 4 -0.920 -8.273 -2.733
25 HG1 THR 4 HG1 THR 4 -1.357 -6.093 -2.559
26 HG21 THR 4 1HG2 THR 4 -3.071 -9.035 -1.790
27 HG22 THR 4 2HG2 THR 4 -2.523 -8.609 -0.167
28 HG23 THR 4 3HG2 THR 4 -1.715 -9.901 -1.063
29 H ARG 5 H ARG 5 -0.904 -8.653 1.315
30 HA ARG 5 HA ARG 5 -1.669 -6.177 2.542
31 HB2 ARG 5 2HB ARG 5 -1.406 -8.932 3.813
32 HB3 ARG 5 3HB ARG 5 -2.230 -7.545 4.521
33 HG2 ARG 5 2HG ARG 5 -3.890 -7.603 2.674
34 HG3 ARG 5 3HG ARG 5 -3.077 -9.023 2.003
35 HD2 ARG 5 2HD ARG 5 -3.507 -10.201 4.198
36 HD3 ARG 5 3HD ARG 5 -4.479 -8.814 4.691
37 HE ARG 5 HE ARG 5 -5.812 -9.381 2.543
38 HH11 ARG 5 1HH1 ARG 5 -4.313 -11.747 4.683
39 HH12 ARG 5 2HH1 ARG 5 -5.460 -12.996 4.324
40 HH21 ARG 5 1HH2 ARG 5 -7.363 -11.030 2.108
41 HH22 ARG 5 2HH2 ARG 5 -7.196 -12.584 2.857
42 H LYS 6 H LYS 6 1.060 -8.405 2.917
43 HA LYS 6 HA LYS 6 2.531 -7.156 4.957
44 HB2 LYS 6 2HB LYS 6 3.348 -9.288 4.340
45 HB3 LYS 6 3HB LYS 6 3.223 -8.972 2.623
46 HG2 LYS 6 2HG LYS 6 5.294 -7.429 4.170
47 HG3 LYS 6 3HG LYS 6 5.598 -9.141 3.879
48 HD2 LYS 6 2HD LYS 6 5.594 -8.844 1.496
49 HD3 LYS 6 3HD LYS 6 4.879 -7.238 1.618
50 HE2 LYS 6 2HE LYS 6 7.191 -6.974 1.037
51 HE3 LYS 6 3HE LYS 6 7.015 -6.455 2.713
52 HZ1 LYS 6 1HZ LYS 6 8.126 -9.024 1.731
53 HZ2 LYS 6 2HZ LYS 6 7.798 -8.717 3.356
54 HZ3 LYS 6 3HZ LYS 6 8.959 -7.794 2.541
55 H LYS 7 H LYS 7 2.474 -6.644 1.446
56 HA LYS 7 HA LYS 7 4.517 -4.674 1.320
57 HB2 LYS 7 2HB LYS 7 3.900 -6.083 -0.605
58 HB3 LYS 7 3HB LYS 7 2.299 -5.355 -0.668
59 HG2 LYS 7 2HG LYS 7 3.215 -3.230 -1.382
60 HG3 LYS 7 3HG LYS 7 4.867 -3.773 -1.079
61 HD2 LYS 7 2HD LYS 7 2.998 -4.940 -3.182
62 HD3 LYS 7 3HD LYS 7 4.288 -3.783 -3.502
63 HE2 LYS 7 2HE LYS 7 5.934 -5.457 -2.623
64 HE3 LYS 7 3HE LYS 7 4.614 -6.615 -2.460
65 HZ1 LYS 7 1HZ LYS 7 5.792 -6.984 -4.502
66 HZ2 LYS 7 2HZ LYS 7 5.573 -5.379 -4.983
67 HZ3 LYS 7 3HZ LYS 7 4.244 -6.416 -4.860
68 H CYS 8 H CYS 8 1.036 -4.554 1.825
69 HA CYS 8 HA CYS 8 0.646 -1.761 1.445
70 HB2 CYS 8 2HB CYS 8 -1.237 -3.375 1.474
71 HB3 CYS 8 3HB CYS 8 -0.954 -3.685 3.187
72 H THR 9 H THR 9 1.265 -3.783 4.318
73 HA THR 9 HA THR 9 1.315 -1.779 6.284
74 HB THR 9 HB THR 9 2.920 -4.386 6.249
75 HG1 THR 9 HG1 THR 9 0.444 -4.335 5.951
76 HG21 THR 9 1HG2 THR 9 2.728 -4.279 8.716
77 HG22 THR 9 2HG2 THR 9 1.893 -2.730 8.595
78 HG23 THR 9 3HG2 THR 9 3.581 -2.861 8.099
79 H GLU 10 H GLU 10 3.867 -3.097 4.204
80 HA GLU 10 HA GLU 10 6.109 -1.727 5.236
81 HB2 GLU 10 2HB GLU 10 6.258 -3.737 3.767
82 HB3 GLU 10 3HB GLU 10 5.634 -2.793 2.414
83 HG2 GLU 10 2HG GLU 10 7.647 -1.264 2.692
84 HG3 GLU 10 3HG GLU 10 8.286 -2.436 3.843
85 H MET 11 H MET 11 3.852 -0.976 2.596
86 HA MET 11 HA MET 11 5.149 1.431 1.750
87 HB2 MET 11 2HB MET 11 2.336 0.391 1.229
88 HB3 MET 11 3HB MET 11 2.977 1.860 0.513
89 HG2 MET 11 2HG MET 11 4.120 -0.905 0.061
90 HG3 MET 11 3HG MET 11 2.991 -0.092 -1.014
91 HE1 MET 11 1HE MET 11 6.590 -0.949 -0.504
92 HE2 MET 11 2HE MET 11 6.595 0.364 0.677
93 HE3 MET 11 3HE MET 11 7.499 0.527 -0.827
94 H LYS 12 H LYS 12 2.732 0.671 4.213
95 HA LYS 12 HA LYS 12 1.923 3.383 4.731
96 HB2 LYS 12 2HB LYS 12 1.718 0.858 6.441
97 HB3 LYS 12 3HB LYS 12 1.080 2.420 6.945
98 HG2 LYS 12 2HG LYS 12 -0.489 2.443 5.076
99 HG3 LYS 12 3HG LYS 12 0.212 0.957 4.439
100 HD2 LYS 12 2HD LYS 12 -1.850 0.384 5.562
101 HD3 LYS 12 3HD LYS 12 -0.511 -0.230 6.530
102 HE2 LYS 12 2HE LYS 12 -0.730 1.799 8.000
103 HE3 LYS 12 3HE LYS 12 -2.160 2.261 7.073
104 HZ1 LYS 12 1HZ LYS 12 -3.238 0.228 7.744
105 HZ2 LYS 12 2HZ LYS 12 -2.716 1.059 9.116
106 HZ3 LYS 12 3HZ LYS 12 -1.860 -0.293 8.567
107 H LYS 13 H LYS 13 4.522 1.290 5.903
108 HA LYS 13 HA LYS 13 5.483 2.916 8.028
109 HB2 LYS 13 2HB LYS 13 7.004 0.974 6.228
110 HB3 LYS 13 3HB LYS 13 7.647 1.666 7.716
111 HG2 LYS 13 2HG LYS 13 6.034 0.477 9.057
112 HG3 LYS 13 3HG LYS 13 5.161 -0.067 7.620
113 HD2 LYS 13 2HD LYS 13 7.224 -1.332 6.918
114 HD3 LYS 13 3HD LYS 13 7.978 -0.882 8.449
115 HE2 LYS 13 2HE LYS 13 5.429 -2.506 8.167
116 HE3 LYS 13 3HE LYS 13 7.031 -3.175 8.474
117 HZ1 LYS 13 1HZ LYS 13 7.090 -1.910 10.555
118 HZ2 LYS 13 2HZ LYS 13 5.810 -3.001 10.506
119 HZ3 LYS 13 3HZ LYS 13 5.523 -1.353 10.265
120 H LYS 14 H LYS 14 6.254 2.739 4.595
121 HA LYS 14 HA LYS 14 8.308 4.767 4.664
122 HB2 LYS 14 2HB LYS 14 6.944 3.260 2.394
123 HB3 LYS 14 3HB LYS 14 8.235 4.431 2.136
124 HG2 LYS 14 2HG LYS 14 9.797 3.046 3.445
125 HG3 LYS 14 3HG LYS 14 8.508 1.876 3.767
126 HD2 LYS 14 2HD LYS 14 8.354 1.285 1.428
127 HD3 LYS 14 3HD LYS 14 9.427 2.606 0.960
128 HE2 LYS 14 2HE LYS 14 10.556 0.411 0.888
129 HE3 LYS 14 3HE LYS 14 11.315 1.500 2.045
130 HZ1 LYS 14 1HZ LYS 14 10.323 0.331 3.837
131 HZ2 LYS 14 2HZ LYS 14 11.025 -0.821 2.818
132 HZ3 LYS 14 3HZ LYS 14 9.355 -0.587 2.800
133 H PHE 15 H PHE 15 4.859 4.675 3.930
134 HA PHE 15 HA PHE 15 4.884 7.492 2.991
135 HB2 PHE 15 2HB PHE 15 3.194 5.301 1.692
136 HB3 PHE 15 3HB PHE 15 3.409 6.947 1.127
137 HD1 PHE 15 HD1 PHE 15 4.253 3.680 0.391
138 HD2 PHE 15 HD2 PHE 15 6.124 7.510 0.779
139 HE1 PHE 15 HE1 PHE 15 6.120 2.918 -1.015
140 HE2 PHE 15 HE2 PHE 15 7.984 6.729 -0.634
141 HZ PHE 15 HZ PHE 15 7.985 4.435 -1.531
142 H LYS 16 H LYS 16 4.330 7.152 5.528
143 HA LYS 16 HA LYS 16 1.623 6.435 6.155
144 HB2 LYS 16 2HB LYS 16 2.162 7.407 8.447
145 HB3 LYS 16 3HB LYS 16 3.170 6.084 7.897
146 HG2 LYS 16 2HG LYS 16 4.689 7.535 8.915
147 HG3 LYS 16 3HG LYS 16 4.879 7.879 7.197
148 HD2 LYS 16 2HD LYS 16 4.897 9.954 8.492
149 HD3 LYS 16 3HD LYS 16 3.476 9.905 7.448
150 HE2 LYS 16 2HE LYS 16 2.891 10.781 9.663
151 HE3 LYS 16 3HE LYS 16 2.091 9.229 9.404
152 HZ1 LYS 16 1HZ LYS 16 3.037 9.393 11.616
153 HZ2 LYS 16 2HZ LYS 16 4.578 9.660 10.977
154 HZ3 LYS 16 3HZ LYS 16 3.812 8.172 10.743
155 H ASN 17 H ASN 17 3.077 9.376 5.034
156 HA ASN 17 HA ASN 17 0.856 11.107 5.767
157 HB2 ASN 17 2HB ASN 17 3.155 11.513 3.789
158 HB3 ASN 17 3HB ASN 17 1.913 12.722 4.088
159 HD21 ASN 17 1HD2 ASN 17 4.756 11.197 5.361
160 HD22 ASN 17 2HD2 ASN 17 4.956 12.248 6.714
161 H CYS 18 H CYS 18 1.619 8.940 3.172
162 HA CYS 18 HA CYS 18 -0.398 9.967 1.324
163 HB2 CYS 18 2HB CYS 18 1.490 7.581 1.099
164 HB3 CYS 18 3HB CYS 18 0.475 8.222 -0.188
165 H GLU 19 H GLU 19 -2.090 8.623 0.488
166 HA GLU 19 HA GLU 19 -3.432 6.961 2.446
167 HB2 GLU 19 2HB GLU 19 -4.660 8.618 0.960
168 HB3 GLU 19 3HB GLU 19 -4.264 7.607 -0.419
169 HG2 GLU 19 2HG GLU 19 -5.494 5.710 0.898
170 HG3 GLU 19 3HG GLU 19 -6.181 7.024 1.848
171 H VAL 20 H VAL 20 -1.876 5.212 2.521
172 HA VAL 20 HA VAL 20 -1.493 3.473 0.201
173 HB VAL 20 HB VAL 20 -0.705 3.064 3.136
174 HG11 VAL 20 1HG1 VAL 20 -0.894 0.939 1.910
175 HG12 VAL 20 2HG1 VAL 20 0.794 1.303 2.266
176 HG13 VAL 20 3HG1 VAL 20 0.162 1.559 0.637
177 HG21 VAL 20 1HG2 VAL 20 0.408 5.038 2.168
178 HG22 VAL 20 2HG2 VAL 20 0.989 4.063 0.817
179 HG23 VAL 20 3HG2 VAL 20 1.561 3.733 2.453
180 H ARG 21 H ARG 21 -3.212 2.178 -0.349
181 HA ARG 21 HA ARG 21 -5.053 1.159 1.728
182 HB2 ARG 21 2HB ARG 21 -6.758 1.033 -0.123
183 HB3 ARG 21 3HB ARG 21 -6.218 2.658 0.249
184 HG2 ARG 21 2HG ARG 21 -5.802 2.994 -1.936
185 HG3 ARG 21 3HG ARG 21 -4.518 1.793 -1.849
186 HD2 ARG 21 2HD ARG 21 -5.957 1.184 -3.650
187 HD3 ARG 21 3HD ARG 21 -6.254 0.027 -2.348
188 HE ARG 21 HE ARG 21 -8.004 2.355 -2.519
189 HH11 ARG 21 1HH1 ARG 21 -7.603 -1.061 -3.236
190 HH12 ARG 21 2HH1 ARG 21 -9.307 -1.329 -3.438
191 HH21 ARG 21 1HH2 ARG 21 -10.216 1.998 -2.773
192 HH22 ARG 21 2HH2 ARG 21 -10.785 0.411 -3.174
193 H CYS 22 H CYS 22 -5.133 -0.944 2.052
194 HA CYS 22 HA CYS 22 -3.446 -2.790 0.609
195 HB2 CYS 22 2HB CYS 22 -5.435 -3.495 2.796
196 HB3 CYS 22 3HB CYS 22 -3.948 -4.338 2.371
197 H ASP 23 H ASP 23 -4.150 -4.636 -0.507
198 HA ASP 23 HA ASP 23 -7.020 -4.979 -1.104
199 HB2 ASP 23 2HB ASP 23 -4.760 -4.683 -3.126
200 HB3 ASP 23 3HB ASP 23 -6.247 -5.521 -3.536
201 H GLU 24 H GLU 24 -7.203 -7.089 -2.489
202 HA GLU 24 HA GLU 24 -5.223 -9.158 -2.009
203 HB2 GLU 24 2HB GLU 24 -6.833 -10.740 -0.929
204 HB3 GLU 24 3HB GLU 24 -6.475 -9.344 0.085
205 HG2 GLU 24 2HG GLU 24 -8.619 -8.331 -0.447
206 HG3 GLU 24 3HG GLU 24 -8.967 -9.589 -1.629
207 H SER 25 H SER 25 -8.207 -8.032 -3.467
208 HA SER 25 HA SER 25 -8.829 -10.272 -5.068
209 HB2 SER 25 2HB SER 25 -9.479 -7.337 -5.577
210 HB3 SER 25 3HB SER 25 -10.307 -8.720 -6.292
211 HG SER 25 HG SER 25 -11.033 -9.301 -4.235
212 H ASN 26 H ASN 26 -6.938 -7.334 -5.746
213 HA ASN 26 HA ASN 26 -6.055 -8.381 -8.359
214 HB2 ASN 26 2HB ASN 26 -5.174 -6.018 -8.695
215 HB3 ASN 26 3HB ASN 26 -6.918 -6.150 -8.518
216 HD21 ASN 26 1HD2 ASN 26 -7.003 -3.905 -7.942
217 HD22 ASN 26 2HD2 ASN 26 -6.531 -3.382 -6.360
218 H HIS 27 H HIS 27 -4.958 -8.073 -5.138
219 HA HIS 27 HA HIS 27 -3.009 -8.327 -4.024
220 HB2 HIS 27 2HB HIS 27 -2.138 -9.735 -6.588
221 HB3 HIS 27 3HB HIS 27 -1.152 -9.696 -5.134
222 HD1 HIS 27 HD1 HIS 27 -1.767 -11.233 -3.230
223 HD2 HIS 27 HD2 HIS 27 -4.455 -11.403 -6.392
224 HE1 HIS 27 HE1 HIS 27 -3.252 -13.185 -2.737
225 HE2 HIS 27 HE2 HIS 27 -4.976 -13.145 -4.562
226 H CYS 28 H CYS 28 -3.472 -5.888 -5.254
227 HA CYS 28 HA CYS 28 -0.770 -4.836 -5.827
228 HB2 CYS 28 2HB CYS 28 -3.399 -4.167 -7.226
229 HB3 CYS 28 3HB CYS 28 -1.927 -3.216 -7.396
230 H VAL 29 H VAL 29 -0.236 -3.351 -4.359
231 HA VAL 29 HA VAL 29 -2.256 -2.065 -2.665
232 HB VAL 29 HB VAL 29 0.800 -2.013 -2.513
233 HG11 VAL 29 1HG1 VAL 29 -0.162 0.039 -1.527
234 HG12 VAL 29 2HG1 VAL 29 0.526 -0.994 -0.276
235 HG13 VAL 29 3HG1 VAL 29 -1.225 -0.932 -0.503
236 HG21 VAL 29 1HG2 VAL 29 -0.157 -4.236 -2.070
237 HG22 VAL 29 2HG2 VAL 29 -1.207 -3.543 -0.828
238 HG23 VAL 29 3HG2 VAL 29 0.545 -3.534 -0.609
239 H GLU 30 H GLU 30 -3.104 -0.237 -3.460
240 HA GLU 30 HA GLU 30 -1.525 1.601 -5.106
241 HB2 GLU 30 2HB GLU 30 -3.838 1.241 -5.796
242 HB3 GLU 30 3HB GLU 30 -4.429 1.693 -4.204
243 HG2 GLU 30 2HG GLU 30 -3.555 4.000 -4.554
244 HG3 GLU 30 3HG GLU 30 -3.038 3.541 -6.172
245 H VAL 31 H VAL 31 -0.860 3.546 -4.409
246 HA VAL 31 HA VAL 31 -1.243 4.423 -1.623
247 HB VAL 31 HB VAL 31 1.294 4.672 -3.318
248 HG11 VAL 31 1HG1 VAL 31 2.344 5.551 -1.263
249 HG12 VAL 31 2HG1 VAL 31 0.779 5.496 -0.447
250 HG13 VAL 31 3HG1 VAL 31 1.017 6.570 -1.828
251 HG21 VAL 31 1HG2 VAL 31 0.998 2.347 -2.606
252 HG22 VAL 31 2HG2 VAL 31 0.812 2.858 -0.925
253 HG23 VAL 31 3HG2 VAL 31 2.355 3.088 -1.754
254 H ARG 32 H ARG 32 -1.839 6.606 -1.523
255 HA ARG 32 HA ARG 32 -1.943 8.164 -4.036
256 HB2 ARG 32 2HB ARG 32 -4.073 6.830 -3.642
257 HB3 ARG 32 3HB ARG 32 -4.316 7.755 -2.163
258 HG2 ARG 32 2HG ARG 32 -4.315 9.853 -3.607
259 HG3 ARG 32 3HG ARG 32 -4.330 8.787 -5.010
260 HD2 ARG 32 2HD ARG 32 -6.440 8.924 -2.841
261 HD3 ARG 32 3HD ARG 32 -6.591 9.546 -4.486
262 HE ARG 32 HE ARG 32 -6.103 6.941 -4.942
263 HH11 ARG 32 1HH1 ARG 32 -8.373 8.494 -2.743
264 HH12 ARG 32 2HH1 ARG 32 -9.521 7.198 -2.830
265 HH21 ARG 32 1HH2 ARG 32 -7.620 5.251 -5.011
266 HH22 ARG 32 2HH2 ARG 32 -9.088 5.368 -4.116
267 H CYS 33 H CYS 33 -0.363 9.557 -3.206
268 HA CYS 33 HA CYS 33 -0.425 10.683 -0.587
269 HB2 CYS 33 2HB CYS 33 1.148 11.570 -3.033
270 HB3 CYS 33 3HB CYS 33 1.481 12.038 -1.365
271 H SER 34 H SER 34 -0.533 12.563 -3.649
272 HA SER 34 HA SER 34 -3.040 13.836 -2.990
273 HB2 SER 34 2HB SER 34 -0.477 15.510 -2.991
274 HB3 SER 34 3HB SER 34 -2.101 16.203 -3.094
275 HG SER 34 HG SER 34 -2.315 14.730 -1.047
276 H ASP 35 H ASP 35 -0.147 14.624 -4.957
277 HA ASP 35 HA ASP 35 -1.780 14.547 -7.422
278 HB2 ASP 35 2HB ASP 35 0.137 15.673 -8.517
279 HB3 ASP 35 3HB ASP 35 -0.416 16.586 -7.120
280 H THR 36 H THR 36 0.811 12.927 -5.721
281 HA THR 36 HA THR 36 1.500 11.191 -7.972
282 HB THR 36 HB THR 36 2.693 11.147 -5.155
283 HG1 THR 36 HG1 THR 36 3.070 12.941 -7.262
284 HG21 THR 36 1HG2 THR 36 3.812 10.219 -7.836
285 HG22 THR 36 2HG2 THR 36 3.198 9.157 -6.567
286 HG23 THR 36 3HG2 THR 36 4.644 10.126 -6.282
287 H LYS 37 H LYS 37 0.377 9.380 -8.239
288 HA LYS 37 HA LYS 37 -0.540 7.760 -5.952
289 HB2 LYS 37 2HB LYS 37 -2.469 9.081 -6.792
290 HB3 LYS 37 3HB LYS 37 -2.215 8.474 -8.416
291 HG2 LYS 37 2HG LYS 37 -2.835 6.589 -6.121
292 HG3 LYS 37 3HG LYS 37 -4.118 7.454 -6.958
293 HD2 LYS 37 2HD LYS 37 -2.166 5.499 -8.236
294 HD3 LYS 37 3HD LYS 37 -3.852 5.176 -7.839
295 HE2 LYS 37 2HE LYS 37 -4.598 6.848 -9.459
296 HE3 LYS 37 3HE LYS 37 -2.925 7.287 -9.816
297 HZ1 LYS 37 1HZ LYS 37 -3.811 5.805 -11.488
298 HZ2 LYS 37 2HZ LYS 37 -4.163 4.633 -10.323
299 HZ3 LYS 37 3HZ LYS 37 -2.561 5.039 -10.649
300 H TYR 38 H TYR 38 0.344 5.815 -6.135
301 HA TYR 38 HA TYR 38 0.959 4.600 -8.752
302 HB2 TYR 38 2HB TYR 38 3.230 3.912 -7.782
303 HB3 TYR 38 3HB TYR 38 3.058 5.604 -8.204
304 HD1 TYR 38 HD1 TYR 38 3.412 3.230 -5.392
305 HD2 TYR 38 HD2 TYR 38 3.041 7.344 -6.485
306 HE1 TYR 38 HE1 TYR 38 4.110 3.878 -3.138
307 HE2 TYR 38 HE2 TYR 38 3.771 7.999 -4.234
308 HH TYR 38 HH TYR 38 5.174 5.850 -2.070
309 H THR 39 H THR 39 1.276 2.272 -8.632
310 HA THR 39 HA THR 39 0.058 0.993 -6.261
311 HB THR 39 HB THR 39 -0.746 0.431 -9.156
312 HG1 THR 39 HG1 THR 39 -1.812 2.105 -7.140
313 HG21 THR 39 1HG2 THR 39 -1.918 -0.561 -6.527
314 HG22 THR 39 2HG2 THR 39 -1.042 -1.543 -7.706
315 HG23 THR 39 3HG2 THR 39 -2.609 -0.848 -8.124
316 H LEU 40 H LEU 40 1.569 -0.353 -5.502
317 HA LEU 40 HA LEU 40 3.547 -1.678 -7.192
318 HB2 LEU 40 2HB LEU 40 3.239 -1.316 -4.183
319 HB3 LEU 40 3HB LEU 40 4.327 -2.535 -4.829
320 HG LEU 40 HG LEU 40 5.513 -0.632 -6.087
321 HD11 LEU 40 1HD1 LEU 40 3.783 1.058 -5.968
322 HD12 LEU 40 2HD1 LEU 40 5.265 1.633 -5.206
323 HD13 LEU 40 3HD1 LEU 40 3.908 1.103 -4.207
324 HD21 LEU 40 1HD2 LEU 40 6.503 -1.704 -4.132
325 HD22 LEU 40 2HD2 LEU 40 5.601 -0.641 -3.052
326 HD23 LEU 40 3HD2 LEU 40 6.843 0.026 -4.116
327 H CYS 41 H CYS 41 2.822 -3.463 -8.131
328 HA CYS 41 HA CYS 41 0.943 -5.295 -6.831
329 HB2 CYS 41 2HB CYS 41 1.994 -5.127 -9.679
330 HB3 CYS 41 3HB CYS 41 0.895 -6.384 -9.115
Start of MODEL 2
1 H1 SER 1 1H SER 1 1.732 -16.406 -1.654
2 H2 SER 1 2H SER 1 2.331 -14.974 -0.991
3 H3 SER 1 3H SER 1 0.711 -15.066 -1.468
4 HA SER 1 HA SER 1 0.275 -16.729 0.197
5 HB2 SER 1 2HB SER 1 3.136 -16.206 1.097
6 HB3 SER 1 3HB SER 1 1.992 -17.329 1.833
7 HG SER 1 HG SER 1 2.173 -18.671 0.159
8 H GLN 2 H GLN 2 2.610 -14.134 1.046
9 HA GLN 2 HA GLN 2 0.435 -12.569 2.277
10 HB2 GLN 2 2HB GLN 2 1.800 -13.951 4.012
11 HB3 GLN 2 3HB GLN 2 3.164 -12.912 3.618
12 HG2 GLN 2 2HG GLN 2 1.783 -10.935 4.323
13 HG3 GLN 2 3HG GLN 2 0.520 -12.050 4.842
14 HE21 GLN 2 1HE2 GLN 2 3.675 -10.764 5.543
15 HE22 GLN 2 2HE2 GLN 2 3.820 -11.435 7.127
16 H GLU 3 H GLU 3 2.191 -12.515 -0.270
17 HA GLU 3 HA GLU 3 4.170 -10.547 -0.091
18 HB2 GLU 3 2HB GLU 3 3.350 -10.267 -2.760
19 HB3 GLU 3 3HB GLU 3 4.556 -11.380 -2.161
20 HG2 GLU 3 2HG GLU 3 2.960 -12.432 -3.716
21 HG3 GLU 3 3HG GLU 3 2.994 -13.199 -2.133
22 H THR 4 H THR 4 0.778 -10.116 -1.160
23 HA THR 4 HA THR 4 1.070 -7.275 -1.495
24 HB THR 4 HB THR 4 -0.448 -8.540 -2.932
25 HG1 THR 4 HG1 THR 4 -1.904 -6.683 -1.323
26 HG21 THR 4 1HG2 THR 4 -1.286 -10.245 -1.354
27 HG22 THR 4 2HG2 THR 4 -2.616 -9.403 -2.152
28 HG23 THR 4 3HG2 THR 4 -2.197 -9.005 -0.485
29 H ARG 5 H ARG 5 0.112 -9.329 1.146
30 HA ARG 5 HA ARG 5 -1.364 -7.332 2.631
31 HB2 ARG 5 2HB ARG 5 -0.225 -9.976 3.645
32 HB3 ARG 5 3HB ARG 5 -1.381 -8.957 4.486
33 HG2 ARG 5 2HG ARG 5 -2.704 -10.683 3.658
34 HG3 ARG 5 3HG ARG 5 -2.955 -9.404 2.478
35 HD2 ARG 5 2HD ARG 5 -1.504 -10.500 0.896
36 HD3 ARG 5 3HD ARG 5 -0.970 -11.665 2.108
37 HE ARG 5 HE ARG 5 -3.705 -11.951 1.953
38 HH11 ARG 5 1HH1 ARG 5 -1.036 -12.325 -0.341
39 HH12 ARG 5 2HH1 ARG 5 -1.867 -13.541 -1.255
40 HH21 ARG 5 1HH2 ARG 5 -4.719 -13.556 0.776
41 HH22 ARG 5 2HH2 ARG 5 -3.949 -14.239 -0.628
42 H LYS 6 H LYS 6 1.840 -8.824 2.829
43 HA LYS 6 HA LYS 6 3.023 -7.327 4.890
44 HB2 LYS 6 2HB LYS 6 4.249 -9.259 4.317
45 HB3 LYS 6 3HB LYS 6 4.049 -9.027 2.593
46 HG2 LYS 6 2HG LYS 6 5.807 -7.082 4.072
47 HG3 LYS 6 3HG LYS 6 6.422 -8.712 3.805
48 HD2 LYS 6 2HD LYS 6 6.274 -8.465 1.401
49 HD3 LYS 6 3HD LYS 6 5.357 -6.965 1.549
50 HE2 LYS 6 2HE LYS 6 7.634 -6.453 0.898
51 HE3 LYS 6 3HE LYS 6 7.386 -5.887 2.551
52 HZ1 LYS 6 1HZ LYS 6 8.855 -8.301 1.648
53 HZ2 LYS 6 2HZ LYS 6 8.422 -8.050 3.262
54 HZ3 LYS 6 3HZ LYS 6 9.468 -6.970 2.492
55 H LYS 7 H LYS 7 2.706 -6.782 1.422
56 HA LYS 7 HA LYS 7 4.424 -4.492 1.290
57 HB2 LYS 7 2HB LYS 7 3.753 -6.195 -0.566
58 HB3 LYS 7 3HB LYS 7 2.306 -5.214 -0.771
59 HG2 LYS 7 2HG LYS 7 3.619 -3.303 -1.441
60 HG3 LYS 7 3HG LYS 7 5.125 -4.107 -0.970
61 HD2 LYS 7 2HD LYS 7 4.545 -5.899 -2.733
62 HD3 LYS 7 3HD LYS 7 3.299 -4.787 -3.302
63 HE2 LYS 7 2HE LYS 7 4.995 -3.105 -3.807
64 HE3 LYS 7 3HE LYS 7 6.253 -4.150 -3.146
65 HZ1 LYS 7 1HZ LYS 7 4.554 -4.834 -5.485
66 HZ2 LYS 7 2HZ LYS 7 5.830 -5.752 -4.865
67 HZ3 LYS 7 3HZ LYS 7 6.137 -4.248 -5.571
68 H CYS 8 H CYS 8 0.968 -5.000 1.772
69 HA CYS 8 HA CYS 8 0.047 -2.341 1.750
70 HB2 CYS 8 2HB CYS 8 -1.777 -3.719 2.023
71 HB3 CYS 8 3HB CYS 8 -0.873 -4.926 2.926
72 H THR 9 H THR 9 1.361 -4.318 4.452
73 HA THR 9 HA THR 9 1.254 -2.385 6.490
74 HB THR 9 HB THR 9 3.321 -4.630 6.250
75 HG1 THR 9 HG1 THR 9 0.710 -4.908 6.241
76 HG21 THR 9 1HG2 THR 9 2.086 -3.322 8.712
77 HG22 THR 9 2HG2 THR 9 3.729 -3.044 8.124
78 HG23 THR 9 3HG2 THR 9 3.255 -4.638 8.718
79 H GLU 10 H GLU 10 3.828 -3.270 4.240
80 HA GLU 10 HA GLU 10 5.927 -1.700 5.240
81 HB2 GLU 10 2HB GLU 10 6.324 -3.673 3.863
82 HB3 GLU 10 3HB GLU 10 5.493 -2.942 2.490
83 HG2 GLU 10 2HG GLU 10 7.252 -1.208 2.375
84 HG3 GLU 10 3HG GLU 10 8.076 -1.963 3.738
85 H MET 11 H MET 11 3.720 -1.154 2.463
86 HA MET 11 HA MET 11 4.860 1.344 1.714
87 HB2 MET 11 2HB MET 11 2.151 0.130 1.060
88 HB3 MET 11 3HB MET 11 2.706 1.661 0.400
89 HG2 MET 11 2HG MET 11 4.118 -0.978 -0.037
90 HG3 MET 11 3HG MET 11 2.954 -0.265 -1.147
91 HE1 MET 11 1HE MET 11 7.359 0.816 -0.773
92 HE2 MET 11 2HE MET 11 6.600 -0.765 -0.576
93 HE3 MET 11 3HE MET 11 6.428 0.463 0.684
94 H LYS 12 H LYS 12 2.341 0.487 4.073
95 HA LYS 12 HA LYS 12 1.396 3.174 4.499
96 HB2 LYS 12 2HB LYS 12 1.188 0.674 6.235
97 HB3 LYS 12 3HB LYS 12 0.478 2.221 6.696
98 HG2 LYS 12 2HG LYS 12 -0.870 2.161 4.573
99 HG3 LYS 12 3HG LYS 12 -0.241 0.550 4.272
100 HD2 LYS 12 2HD LYS 12 -1.893 1.359 6.690
101 HD3 LYS 12 3HD LYS 12 -2.507 0.518 5.268
102 HE2 LYS 12 2HE LYS 12 -0.818 -1.325 5.785
103 HE3 LYS 12 3HE LYS 12 -0.555 -0.516 7.335
104 HZ1 LYS 12 1HZ LYS 12 -3.133 -1.598 6.329
105 HZ2 LYS 12 2HZ LYS 12 -2.946 -0.749 7.780
106 HZ3 LYS 12 3HZ LYS 12 -2.192 -2.244 7.570
107 H LYS 13 H LYS 13 3.771 1.109 6.158
108 HA LYS 13 HA LYS 13 4.347 3.013 8.226
109 HB2 LYS 13 2HB LYS 13 6.006 1.440 9.016
110 HB3 LYS 13 3HB LYS 13 4.576 0.541 8.533
111 HG2 LYS 13 2HG LYS 13 5.762 0.069 6.332
112 HG3 LYS 13 3HG LYS 13 7.218 0.735 7.067
113 HD2 LYS 13 2HD LYS 13 5.661 -1.694 8.047
114 HD3 LYS 13 3HD LYS 13 7.199 -1.724 7.189
115 HE2 LYS 13 2HE LYS 13 6.707 -0.602 9.961
116 HE3 LYS 13 3HE LYS 13 7.571 -2.084 9.563
117 HZ1 LYS 13 1HZ LYS 13 9.196 -0.682 8.352
118 HZ2 LYS 13 2HZ LYS 13 9.152 -0.395 10.015
119 HZ3 LYS 13 3HZ LYS 13 8.415 0.694 8.957
120 H LYS 14 H LYS 14 5.476 2.567 4.998
121 HA LYS 14 HA LYS 14 7.880 4.222 5.333
122 HB2 LYS 14 2HB LYS 14 7.637 2.108 3.793
123 HB3 LYS 14 3HB LYS 14 6.782 3.159 2.686
124 HG2 LYS 14 2HG LYS 14 9.606 3.730 3.649
125 HG3 LYS 14 3HG LYS 14 9.259 2.758 2.222
126 HD2 LYS 14 2HD LYS 14 8.117 4.681 1.177
127 HD3 LYS 14 3HD LYS 14 8.427 5.653 2.615
128 HE2 LYS 14 2HE LYS 14 10.614 4.448 0.888
129 HE3 LYS 14 3HE LYS 14 9.994 6.090 0.705
130 HZ1 LYS 14 1HZ LYS 14 12.018 6.008 2.032
131 HZ2 LYS 14 2HZ LYS 14 11.260 5.010 3.163
132 HZ3 LYS 14 3HZ LYS 14 10.721 6.596 2.936
133 H PHE 15 H PHE 15 4.927 4.281 3.278
134 HA PHE 15 HA PHE 15 5.128 7.205 2.929
135 HB2 PHE 15 2HB PHE 15 3.263 5.212 1.556
136 HB3 PHE 15 3HB PHE 15 3.452 6.903 1.135
137 HD1 PHE 15 HD1 PHE 15 4.440 3.633 0.270
138 HD2 PHE 15 HD2 PHE 15 5.963 7.624 0.534
139 HE1 PHE 15 HE1 PHE 15 6.202 3.073 -1.350
140 HE2 PHE 15 HE2 PHE 15 7.728 7.052 -1.086
141 HZ PHE 15 HZ PHE 15 7.843 4.779 -2.026
142 H LYS 16 H LYS 16 4.546 7.214 5.338
143 HA LYS 16 HA LYS 16 1.834 6.564 6.076
144 HB2 LYS 16 2HB LYS 16 2.452 7.361 8.318
145 HB3 LYS 16 3HB LYS 16 3.633 6.237 7.670
146 HG2 LYS 16 2HG LYS 16 5.117 7.762 8.503
147 HG3 LYS 16 3HG LYS 16 4.849 8.539 6.942
148 HD2 LYS 16 2HD LYS 16 4.743 10.198 8.747
149 HD3 LYS 16 3HD LYS 16 3.154 10.033 7.996
150 HE2 LYS 16 2HE LYS 16 2.500 8.484 9.881
151 HE3 LYS 16 3HE LYS 16 4.051 8.829 10.644
152 HZ1 LYS 16 1HZ LYS 16 3.434 11.131 10.844
153 HZ2 LYS 16 2HZ LYS 16 2.224 10.172 11.528
154 HZ3 LYS 16 3HZ LYS 16 1.987 10.872 10.009
155 H ASN 17 H ASN 17 3.334 9.310 4.696
156 HA ASN 17 HA ASN 17 1.181 11.176 5.423
157 HB2 ASN 17 2HB ASN 17 3.668 11.543 3.695
158 HB3 ASN 17 3HB ASN 17 2.494 12.814 4.013
159 HD21 ASN 17 1HD2 ASN 17 2.064 12.158 6.804
160 HD22 ASN 17 2HD2 ASN 17 3.500 12.623 7.637
161 H CYS 18 H CYS 18 1.428 8.710 3.269
162 HA CYS 18 HA CYS 18 -0.257 10.012 1.208
163 HB2 CYS 18 2HB CYS 18 1.624 7.643 0.924
164 HB3 CYS 18 3HB CYS 18 0.566 8.248 -0.350
165 H GLU 19 H GLU 19 -2.072 8.848 0.455
166 HA GLU 19 HA GLU 19 -3.372 7.125 2.365
167 HB2 GLU 19 2HB GLU 19 -4.673 8.817 1.037
168 HB3 GLU 19 3HB GLU 19 -4.300 7.926 -0.430
169 HG2 GLU 19 2HG GLU 19 -5.520 5.934 0.499
170 HG3 GLU 19 3HG GLU 19 -5.962 6.896 1.908
171 H VAL 20 H VAL 20 -2.010 5.345 2.391
172 HA VAL 20 HA VAL 20 -1.457 3.752 0.013
173 HB VAL 20 HB VAL 20 -0.921 3.234 2.981
174 HG11 VAL 20 1HG1 VAL 20 0.633 1.487 2.221
175 HG12 VAL 20 2HG1 VAL 20 0.160 1.779 0.547
176 HG13 VAL 20 3HG1 VAL 20 -1.015 1.135 1.697
177 HG21 VAL 20 1HG2 VAL 20 0.984 4.215 0.836
178 HG22 VAL 20 2HG2 VAL 20 1.363 3.935 2.537
179 HG23 VAL 20 3HG2 VAL 20 0.251 5.226 2.086
180 H ARG 21 H ARG 21 -3.068 2.473 -0.745
181 HA ARG 21 HA ARG 21 -5.287 1.590 0.983
182 HB2 ARG 21 2HB ARG 21 -5.033 1.582 -2.070
183 HB3 ARG 21 3HB ARG 21 -6.467 1.099 -1.163
184 HG2 ARG 21 2HG ARG 21 -6.697 3.410 -0.307
185 HG3 ARG 21 3HG ARG 21 -5.264 3.885 -1.219
186 HD2 ARG 21 2HD ARG 21 -6.446 3.222 -3.328
187 HD3 ARG 21 3HD ARG 21 -7.893 2.893 -2.365
188 HE ARG 21 HE ARG 21 -6.870 5.540 -1.974
189 HH11 ARG 21 1HH1 ARG 21 -8.854 3.610 -4.129
190 HH12 ARG 21 2HH1 ARG 21 -9.751 4.966 -4.723
191 HH21 ARG 21 1HH2 ARG 21 -8.049 7.318 -2.763
192 HH22 ARG 21 2HH2 ARG 21 -9.293 7.072 -3.949
193 H CYS 22 H CYS 22 -4.792 -0.280 1.923
194 HA CYS 22 HA CYS 22 -3.187 -2.377 0.850
195 HB2 CYS 22 2HB CYS 22 -5.259 -2.375 3.100
196 HB3 CYS 22 3HB CYS 22 -4.109 -3.676 2.790
197 H ASP 23 H ASP 23 -3.982 -4.570 0.348
198 HA ASP 23 HA ASP 23 -6.659 -5.066 -0.485
199 HB2 ASP 23 2HB ASP 23 -6.217 -3.505 -2.304
200 HB3 ASP 23 3HB ASP 23 -4.672 -4.255 -2.661
201 H GLU 24 H GLU 24 -6.910 -7.126 -1.418
202 HA GLU 24 HA GLU 24 -4.616 -8.974 -1.401
203 HB2 GLU 24 2HB GLU 24 -5.720 -9.177 0.777
204 HB3 GLU 24 3HB GLU 24 -7.300 -9.341 0.013
205 HG2 GLU 24 2HG GLU 24 -6.552 -11.490 -0.996
206 HG3 GLU 24 3HG GLU 24 -5.005 -11.317 -0.171
207 H SER 25 H SER 25 -7.646 -7.896 -2.749
208 HA SER 25 HA SER 25 -8.485 -10.262 -4.084
209 HB2 SER 25 2HB SER 25 -9.180 -7.342 -4.646
210 HB3 SER 25 3HB SER 25 -10.077 -8.746 -5.238
211 HG SER 25 HG SER 25 -10.971 -7.790 -3.318
212 H ASN 26 H ASN 26 -7.005 -7.280 -5.333
213 HA ASN 26 HA ASN 26 -6.414 -8.500 -7.935
214 HB2 ASN 26 2HB ASN 26 -7.526 -6.334 -7.945
215 HB3 ASN 26 3HB ASN 26 -6.308 -5.626 -6.889
216 HD21 ASN 26 1HD2 ASN 26 -4.378 -4.925 -7.806
217 HD22 ASN 26 2HD2 ASN 26 -4.113 -4.850 -9.507
218 H HIS 27 H HIS 27 -4.870 -7.891 -4.946
219 HA HIS 27 HA HIS 27 -2.819 -8.271 -4.106
220 HB2 HIS 27 2HB HIS 27 -2.316 -9.635 -6.780
221 HB3 HIS 27 3HB HIS 27 -1.142 -9.637 -5.471
222 HD1 HIS 27 HD1 HIS 27 -1.413 -11.337 -3.679
223 HD2 HIS 27 HD2 HIS 27 -4.738 -11.141 -6.152
224 HE1 HIS 27 HE1 HIS 27 -2.873 -13.242 -2.980
225 HE2 HIS 27 HE2 HIS 27 -4.921 -13.051 -4.419
226 H CYS 28 H CYS 28 -3.297 -5.746 -4.951
227 HA CYS 28 HA CYS 28 -0.562 -4.774 -5.387
228 HB2 CYS 28 2HB CYS 28 -2.905 -3.747 -7.057
229 HB3 CYS 28 3HB CYS 28 -1.257 -3.119 -7.084
230 H VAL 29 H VAL 29 -0.192 -2.751 -4.456
231 HA VAL 29 HA VAL 29 -2.248 -1.734 -2.597
232 HB VAL 29 HB VAL 29 0.801 -1.456 -2.512
233 HG11 VAL 29 1HG1 VAL 29 0.483 -0.605 -0.218
234 HG12 VAL 29 2HG1 VAL 29 -1.269 -0.656 -0.433
235 HG13 VAL 29 3HG1 VAL 29 -0.288 0.440 -1.413
236 HG21 VAL 29 1HG2 VAL 29 0.755 -3.070 -0.655
237 HG22 VAL 29 2HG2 VAL 29 0.099 -3.788 -2.126
238 HG23 VAL 29 3HG2 VAL 29 -0.991 -3.264 -0.841
239 H GLU 30 H GLU 30 -3.224 0.111 -3.329
240 HA GLU 30 HA GLU 30 -1.900 1.854 -5.301
241 HB2 GLU 30 2HB GLU 30 -4.204 1.174 -5.813
242 HB3 GLU 30 3HB GLU 30 -4.780 1.796 -4.268
243 HG2 GLU 30 2HG GLU 30 -4.333 4.091 -4.947
244 HG3 GLU 30 3HG GLU 30 -3.537 3.554 -6.423
245 H VAL 31 H VAL 31 -0.655 3.401 -4.441
246 HA VAL 31 HA VAL 31 -1.309 4.657 -1.857
247 HB VAL 31 HB VAL 31 1.307 4.777 -3.426
248 HG11 VAL 31 1HG1 VAL 31 2.279 5.495 -1.267
249 HG12 VAL 31 2HG1 VAL 31 0.664 5.498 -0.553
250 HG13 VAL 31 3HG1 VAL 31 1.053 6.618 -1.862
251 HG21 VAL 31 1HG2 VAL 31 0.850 2.441 -2.833
252 HG22 VAL 31 2HG2 VAL 31 0.601 2.897 -1.144
253 HG23 VAL 31 3HG2 VAL 31 2.197 3.074 -1.879
254 H ARG 32 H ARG 32 -2.536 6.421 -2.174
255 HA ARG 32 HA ARG 32 -2.035 8.311 -4.384
256 HB2 ARG 32 2HB ARG 32 -4.347 7.333 -4.152
257 HB3 ARG 32 3HB ARG 32 -4.483 8.049 -2.554
258 HG2 ARG 32 2HG ARG 32 -3.862 9.923 -4.810
259 HG3 ARG 32 3HG ARG 32 -5.467 9.212 -4.811
260 HD2 ARG 32 2HD ARG 32 -4.263 10.816 -2.529
261 HD3 ARG 32 3HD ARG 32 -5.411 11.429 -3.729
262 HE ARG 32 HE ARG 32 -6.176 9.099 -2.123
263 HH11 ARG 32 1HH1 ARG 32 -6.661 12.546 -2.749
264 HH12 ARG 32 2HH1 ARG 32 -8.147 12.604 -1.856
265 HH21 ARG 32 1HH2 ARG 32 -8.128 9.221 -0.959
266 HH22 ARG 32 2HH2 ARG 32 -8.968 10.739 -0.853
267 H CYS 33 H CYS 33 -0.356 9.556 -3.535
268 HA CYS 33 HA CYS 33 -0.334 10.573 -0.861
269 HB2 CYS 33 2HB CYS 33 1.193 11.512 -3.321
270 HB3 CYS 33 3HB CYS 33 1.512 12.044 -1.666
271 H SER 34 H SER 34 -0.932 12.305 -3.965
272 HA SER 34 HA SER 34 -3.387 13.427 -3.012
273 HB2 SER 34 2HB SER 34 -1.870 15.068 -1.942
274 HB3 SER 34 3HB SER 34 -1.100 15.400 -3.492
275 HG SER 34 HG SER 34 -2.640 16.763 -3.870
276 H ASP 35 H ASP 35 -0.832 14.209 -5.363
277 HA ASP 35 HA ASP 35 -2.708 13.867 -7.623
278 HB2 ASP 35 2HB ASP 35 -1.416 15.986 -7.554
279 HB3 ASP 35 3HB ASP 35 0.095 15.088 -7.499
280 H THR 36 H THR 36 0.527 13.024 -6.500
281 HA THR 36 HA THR 36 1.158 11.031 -8.393
282 HB THR 36 HB THR 36 2.312 11.377 -5.587
283 HG1 THR 36 HG1 THR 36 2.877 12.806 -7.988
284 HG21 THR 36 1HG2 THR 36 3.107 9.363 -6.783
285 HG22 THR 36 2HG2 THR 36 4.398 10.544 -6.572
286 HG23 THR 36 3HG2 THR 36 3.610 10.370 -8.141
287 H LYS 37 H LYS 37 -0.509 9.505 -8.509
288 HA LYS 37 HA LYS 37 -0.944 7.765 -6.151
289 HB2 LYS 37 2HB LYS 37 -2.993 8.929 -7.062
290 HB3 LYS 37 3HB LYS 37 -2.770 8.054 -8.575
291 HG2 LYS 37 2HG LYS 37 -3.103 5.910 -7.423
292 HG3 LYS 37 3HG LYS 37 -3.196 6.737 -5.873
293 HD2 LYS 37 2HD LYS 37 -5.438 6.168 -6.560
294 HD3 LYS 37 3HD LYS 37 -5.259 7.920 -6.658
295 HE2 LYS 37 2HE LYS 37 -6.493 7.027 -8.586
296 HE3 LYS 37 3HE LYS 37 -4.972 7.755 -9.103
297 HZ1 LYS 37 1HZ LYS 37 -5.382 5.658 -10.214
298 HZ2 LYS 37 2HZ LYS 37 -5.474 4.857 -8.730
299 HZ3 LYS 37 3HZ LYS 37 -4.015 5.541 -9.223
300 H TYR 38 H TYR 38 0.542 6.237 -6.323
301 HA TYR 38 HA TYR 38 1.022 4.821 -8.883
302 HB2 TYR 38 2HB TYR 38 3.308 4.269 -7.832
303 HB3 TYR 38 3HB TYR 38 3.055 5.939 -8.294
304 HD1 TYR 38 HD1 TYR 38 3.568 3.670 -5.459
305 HD2 TYR 38 HD2 TYR 38 2.768 7.707 -6.587
306 HE1 TYR 38 HE1 TYR 38 4.140 4.401 -3.201
307 HE2 TYR 38 HE2 TYR 38 3.367 8.448 -4.322
308 HH TYR 38 HH TYR 38 4.904 6.415 -2.088
309 H THR 39 H THR 39 0.944 2.577 -8.859
310 HA THR 39 HA THR 39 -0.141 1.317 -6.404
311 HB THR 39 HB THR 39 -0.841 0.697 -9.312
312 HG1 THR 39 HG1 THR 39 -1.650 2.741 -8.176
313 HG21 THR 39 1HG2 THR 39 -2.663 -0.678 -8.333
314 HG22 THR 39 2HG2 THR 39 -2.022 -0.367 -6.719
315 HG23 THR 39 3HG2 THR 39 -1.072 -1.294 -7.882
316 H LEU 40 H LEU 40 1.469 0.092 -5.587
317 HA LEU 40 HA LEU 40 3.476 -1.213 -7.228
318 HB2 LEU 40 2HB LEU 40 3.128 -0.808 -4.248
319 HB3 LEU 40 3HB LEU 40 4.223 -2.044 -4.839
320 HG LEU 40 HG LEU 40 5.337 -0.094 -6.204
321 HD11 LEU 40 1HD1 LEU 40 3.885 1.526 -4.106
322 HD12 LEU 40 2HD1 LEU 40 3.618 1.581 -5.851
323 HD13 LEU 40 3HD1 LEU 40 5.158 2.116 -5.180
324 HD21 LEU 40 1HD2 LEU 40 6.478 -1.277 -4.399
325 HD22 LEU 40 2HD2 LEU 40 5.654 -0.295 -3.189
326 HD23 LEU 40 3HD2 LEU 40 6.814 0.453 -4.288
327 H CYS 41 H CYS 41 2.837 -2.986 -8.193
328 HA CYS 41 HA CYS 41 1.142 -4.999 -6.909
329 HB2 CYS 41 2HB CYS 41 2.197 -4.650 -9.739
330 HB3 CYS 41 3HB CYS 41 1.297 -6.076 -9.226
Start of MODEL 3
1 H1 SER 1 1H SER 1 0.334 -17.600 2.242
2 H2 SER 1 2H SER 1 0.206 -17.478 3.919
3 H3 SER 1 3H SER 1 1.356 -18.502 3.232
4 HA SER 1 HA SER 1 2.336 -16.487 4.086
5 HB2 SER 1 2HB SER 1 3.512 -15.882 1.871
6 HB3 SER 1 3HB SER 1 3.545 -17.581 2.334
7 HG SER 1 HG SER 1 1.993 -16.317 0.343
8 H GLN 2 H GLN 2 2.500 -14.238 4.087
9 HA GLN 2 HA GLN 2 0.131 -12.774 3.080
10 HB2 GLN 2 2HB GLN 2 0.499 -11.142 4.844
11 HB3 GLN 2 3HB GLN 2 0.434 -12.746 5.548
12 HG2 GLN 2 2HG GLN 2 3.013 -11.239 5.023
13 HG3 GLN 2 3HG GLN 2 2.133 -11.166 6.546
14 HE21 GLN 2 1HE2 GLN 2 4.835 -12.076 6.066
15 HE22 GLN 2 2HE2 GLN 2 4.908 -13.710 6.613
16 H GLU 3 H GLU 3 1.934 -13.237 1.151
17 HA GLU 3 HA GLU 3 4.116 -11.529 0.785
18 HB2 GLU 3 2HB GLU 3 3.976 -12.049 -1.617
19 HB3 GLU 3 3HB GLU 3 3.796 -13.500 -0.650
20 HG2 GLU 3 2HG GLU 3 1.606 -12.010 -2.134
21 HG3 GLU 3 3HG GLU 3 2.338 -13.534 -2.614
22 H THR 4 H THR 4 0.776 -11.129 -0.276
23 HA THR 4 HA THR 4 1.191 -8.533 -1.449
24 HB THR 4 HB THR 4 -1.415 -10.063 -1.019
25 HG1 THR 4 HG1 THR 4 0.671 -10.357 -2.880
26 HG21 THR 4 1HG2 THR 4 -2.197 -8.769 -2.932
27 HG22 THR 4 2HG2 THR 4 -0.631 -7.969 -3.056
28 HG23 THR 4 3HG2 THR 4 -1.662 -7.677 -1.651
29 H ARG 5 H ARG 5 -0.125 -9.908 1.488
30 HA ARG 5 HA ARG 5 -1.702 -7.671 2.290
31 HB2 ARG 5 2HB ARG 5 -0.678 -10.002 3.972
32 HB3 ARG 5 3HB ARG 5 -1.837 -8.794 4.512
33 HG2 ARG 5 2HG ARG 5 -3.140 -10.667 3.990
34 HG3 ARG 5 3HG ARG 5 -3.350 -9.579 2.624
35 HD2 ARG 5 2HD ARG 5 -1.948 -10.949 1.213
36 HD3 ARG 5 3HD ARG 5 -1.397 -11.908 2.595
37 HE ARG 5 HE ARG 5 -4.238 -11.973 2.265
38 HH11 ARG 5 1HH1 ARG 5 -1.285 -13.544 1.098
39 HH12 ARG 5 2HH1 ARG 5 -2.131 -14.987 0.652
40 HH21 ARG 5 1HH2 ARG 5 -5.266 -13.848 1.663
41 HH22 ARG 5 2HH2 ARG 5 -4.369 -15.162 0.970
42 H LYS 6 H LYS 6 1.563 -8.839 3.062
43 HA LYS 6 HA LYS 6 2.166 -7.050 5.154
44 HB2 LYS 6 2HB LYS 6 4.449 -7.807 5.009
45 HB3 LYS 6 3HB LYS 6 3.435 -9.196 4.665
46 HG2 LYS 6 2HG LYS 6 5.018 -9.487 3.013
47 HG3 LYS 6 3HG LYS 6 3.884 -8.471 2.126
48 HD2 LYS 6 2HD LYS 6 5.302 -6.466 2.822
49 HD3 LYS 6 3HD LYS 6 6.484 -7.608 3.461
50 HE2 LYS 6 2HE LYS 6 5.560 -7.487 0.577
51 HE3 LYS 6 3HE LYS 6 7.045 -6.768 1.196
52 HZ1 LYS 6 1HZ LYS 6 7.536 -8.883 0.202
53 HZ2 LYS 6 2HZ LYS 6 6.384 -9.666 1.154
54 HZ3 LYS 6 3HZ LYS 6 7.766 -9.010 1.867
55 H LYS 7 H LYS 7 2.200 -6.721 1.682
56 HA LYS 7 HA LYS 7 3.951 -4.550 1.368
57 HB2 LYS 7 2HB LYS 7 3.156 -5.908 -0.519
58 HB3 LYS 7 3HB LYS 7 1.521 -5.283 -0.310
59 HG2 LYS 7 2HG LYS 7 2.212 -3.049 -0.958
60 HG3 LYS 7 3HG LYS 7 3.916 -3.514 -0.955
61 HD2 LYS 7 2HD LYS 7 1.801 -4.613 -2.846
62 HD3 LYS 7 3HD LYS 7 2.957 -3.341 -3.243
63 HE2 LYS 7 2HE LYS 7 3.683 -6.197 -2.482
64 HE3 LYS 7 3HE LYS 7 3.687 -5.522 -4.115
65 HZ1 LYS 7 1HZ LYS 7 5.895 -5.563 -3.103
66 HZ2 LYS 7 2HZ LYS 7 5.374 -4.524 -1.879
67 HZ3 LYS 7 3HZ LYS 7 5.410 -3.994 -3.485
68 H CYS 8 H CYS 8 0.593 -4.689 2.417
69 HA CYS 8 HA CYS 8 -0.074 -1.969 2.419
70 HB2 CYS 8 2HB CYS 8 -1.705 -3.705 2.976
71 HB3 CYS 8 3HB CYS 8 -0.806 -4.127 4.428
72 H THR 9 H THR 9 1.443 -3.916 5.052
73 HA THR 9 HA THR 9 2.027 -1.821 6.838
74 HB THR 9 HB THR 9 3.389 -4.524 6.406
75 HG1 THR 9 HG1 THR 9 1.605 -3.663 8.463
76 HG21 THR 9 1HG2 THR 9 3.757 -2.652 8.787
77 HG22 THR 9 2HG2 THR 9 4.997 -3.060 7.596
78 HG23 THR 9 3HG2 THR 9 4.356 -4.300 8.679
79 H GLU 10 H GLU 10 3.869 -3.197 4.192
80 HA GLU 10 HA GLU 10 6.375 -2.010 4.512
81 HB2 GLU 10 2HB GLU 10 5.960 -3.960 3.089
82 HB3 GLU 10 3HB GLU 10 4.891 -3.023 2.052
83 HG2 GLU 10 2HG GLU 10 6.859 -1.629 1.383
84 HG3 GLU 10 3HG GLU 10 7.887 -2.706 2.329
85 H MET 11 H MET 11 3.532 -0.976 2.656
86 HA MET 11 HA MET 11 4.810 1.390 1.601
87 HB2 MET 11 2HB MET 11 1.950 0.400 1.413
88 HB3 MET 11 3HB MET 11 2.529 1.861 0.631
89 HG2 MET 11 2HG MET 11 3.578 -0.918 0.046
90 HG3 MET 11 3HG MET 11 2.327 -0.101 -0.882
91 HE1 MET 11 1HE MET 11 6.076 0.662 0.457
92 HE2 MET 11 2HE MET 11 6.844 0.628 -1.129
93 HE3 MET 11 3HE MET 11 6.024 -0.807 -0.519
94 H LYS 12 H LYS 12 2.491 0.697 4.252
95 HA LYS 12 HA LYS 12 1.926 3.478 4.754
96 HB2 LYS 12 2HB LYS 12 1.505 1.125 6.646
97 HB3 LYS 12 3HB LYS 12 0.851 2.747 6.847
98 HG2 LYS 12 2HG LYS 12 -0.228 2.261 4.466
99 HG3 LYS 12 3HG LYS 12 0.024 0.586 4.927
100 HD2 LYS 12 2HD LYS 12 -2.215 1.139 5.545
101 HD3 LYS 12 3HD LYS 12 -1.291 1.078 7.050
102 HE2 LYS 12 2HE LYS 12 -1.146 3.520 7.091
103 HE3 LYS 12 3HE LYS 12 -1.945 3.621 5.521
104 HZ1 LYS 12 1HZ LYS 12 -3.136 2.680 8.067
105 HZ2 LYS 12 2HZ LYS 12 -3.892 2.539 6.567
106 HZ3 LYS 12 3HZ LYS 12 -3.547 4.068 7.192
107 H LYS 13 H LYS 13 4.328 1.210 5.844
108 HA LYS 13 HA LYS 13 5.433 2.531 8.060
109 HB2 LYS 13 2HB LYS 13 5.880 0.187 7.468
110 HB3 LYS 13 3HB LYS 13 6.728 0.688 6.013
111 HG2 LYS 13 2HG LYS 13 8.527 1.641 7.327
112 HG3 LYS 13 3HG LYS 13 7.654 1.330 8.833
113 HD2 LYS 13 2HD LYS 13 8.662 -0.793 6.896
114 HD3 LYS 13 3HD LYS 13 9.443 -0.336 8.410
115 HE2 LYS 13 2HE LYS 13 6.671 -1.564 8.169
116 HE3 LYS 13 3HE LYS 13 8.140 -2.422 8.636
117 HZ1 LYS 13 1HZ LYS 13 8.315 -0.935 10.567
118 HZ2 LYS 13 2HZ LYS 13 6.887 -1.836 10.574
119 HZ3 LYS 13 3HZ LYS 13 6.851 -0.207 10.139
120 H LYS 14 H LYS 14 6.063 2.830 4.609
121 HA LYS 14 HA LYS 14 8.151 4.856 4.921
122 HB2 LYS 14 2HB LYS 14 6.787 3.793 2.404
123 HB3 LYS 14 3HB LYS 14 8.232 4.798 2.448
124 HG2 LYS 14 2HG LYS 14 9.460 2.939 3.568
125 HG3 LYS 14 3HG LYS 14 8.000 1.941 3.461
126 HD2 LYS 14 2HD LYS 14 8.065 2.168 0.971
127 HD3 LYS 14 3HD LYS 14 9.563 3.093 1.108
128 HE2 LYS 14 2HE LYS 14 10.075 0.792 0.514
129 HE3 LYS 14 3HE LYS 14 10.647 1.102 2.156
130 HZ1 LYS 14 1HZ LYS 14 8.649 0.017 2.999
131 HZ2 LYS 14 2HZ LYS 14 9.542 -1.019 2.007
132 HZ3 LYS 14 3HZ LYS 14 8.134 -0.293 1.417
133 H PHE 15 H PHE 15 4.915 4.573 3.568
134 HA PHE 15 HA PHE 15 4.767 7.459 2.988
135 HB2 PHE 15 2HB PHE 15 3.142 5.203 1.734
136 HB3 PHE 15 3HB PHE 15 3.297 6.850 1.144
137 HD1 PHE 15 HD1 PHE 15 4.164 3.681 0.277
138 HD2 PHE 15 HD2 PHE 15 6.100 7.441 0.979
139 HE1 PHE 15 HE1 PHE 15 6.047 2.980 -1.131
140 HE2 PHE 15 HE2 PHE 15 7.981 6.726 -0.436
141 HZ PHE 15 HZ PHE 15 7.961 4.499 -1.489
142 H LYS 16 H LYS 16 4.326 6.923 5.521
143 HA LYS 16 HA LYS 16 1.709 6.306 6.373
144 HB2 LYS 16 2HB LYS 16 2.376 7.477 8.492
145 HB3 LYS 16 3HB LYS 16 3.551 6.287 7.942
146 HG2 LYS 16 2HG LYS 16 4.994 8.062 7.050
147 HG3 LYS 16 3HG LYS 16 3.809 9.288 7.520
148 HD2 LYS 16 2HD LYS 16 4.132 8.652 9.913
149 HD3 LYS 16 3HD LYS 16 5.344 7.464 9.424
150 HE2 LYS 16 2HE LYS 16 6.781 9.250 8.559
151 HE3 LYS 16 3HE LYS 16 5.550 10.458 8.935
152 HZ1 LYS 16 1HZ LYS 16 5.784 9.863 11.288
153 HZ2 LYS 16 2HZ LYS 16 7.235 10.432 10.633
154 HZ3 LYS 16 3HZ LYS 16 7.019 8.779 10.894
155 H ASN 17 H ASN 17 3.097 9.214 5.036
156 HA ASN 17 HA ASN 17 0.775 10.891 5.686
157 HB2 ASN 17 2HB ASN 17 3.395 11.530 4.268
158 HB3 ASN 17 3HB ASN 17 2.123 12.709 4.578
159 HD21 ASN 17 1HD2 ASN 17 1.653 13.284 6.763
160 HD22 ASN 17 2HD2 ASN 17 2.834 13.075 8.006
161 H CYS 18 H CYS 18 1.260 8.615 3.469
162 HA CYS 18 HA CYS 18 -0.308 9.950 1.341
163 HB2 CYS 18 2HB CYS 18 1.504 7.497 1.200
164 HB3 CYS 18 3HB CYS 18 0.506 8.087 -0.125
165 H GLU 19 H GLU 19 -2.075 8.711 0.455
166 HA GLU 19 HA GLU 19 -3.472 7.063 2.406
167 HB2 GLU 19 2HB GLU 19 -4.690 8.816 1.069
168 HB3 GLU 19 3HB GLU 19 -4.348 7.904 -0.391
169 HG2 GLU 19 2HG GLU 19 -5.638 5.974 0.554
170 HG3 GLU 19 3HG GLU 19 -6.065 6.976 1.940
171 H VAL 20 H VAL 20 -2.112 5.263 2.430
172 HA VAL 20 HA VAL 20 -1.548 3.707 0.038
173 HB VAL 20 HB VAL 20 -1.099 3.166 3.017
174 HG11 VAL 20 1HG1 VAL 20 -1.366 1.026 1.828
175 HG12 VAL 20 2HG1 VAL 20 0.308 1.254 2.333
176 HG13 VAL 20 3HG1 VAL 20 -0.147 1.518 0.647
177 HG21 VAL 20 1HG2 VAL 20 0.866 3.938 0.835
178 HG22 VAL 20 2HG2 VAL 20 1.277 3.594 2.517
179 HG23 VAL 20 3HG2 VAL 20 0.279 4.995 2.122
180 H ARG 21 H ARG 21 -3.305 2.727 -0.821
181 HA ARG 21 HA ARG 21 -5.474 1.658 0.826
182 HB2 ARG 21 2HB ARG 21 -5.332 1.918 -2.217
183 HB3 ARG 21 3HB ARG 21 -6.754 1.493 -1.261
184 HG2 ARG 21 2HG ARG 21 -6.280 3.837 -0.093
185 HG3 ARG 21 3HG ARG 21 -5.404 4.170 -1.589
186 HD2 ARG 21 2HD ARG 21 -8.316 3.351 -1.384
187 HD3 ARG 21 3HD ARG 21 -7.728 4.996 -1.623
188 HE ARG 21 HE ARG 21 -6.698 3.412 -3.690
189 HH11 ARG 21 1HH1 ARG 21 -9.805 4.616 -2.561
190 HH12 ARG 21 2HH1 ARG 21 -10.516 4.629 -4.140
191 HH21 ARG 21 1HH2 ARG 21 -7.663 3.446 -5.783
192 HH22 ARG 21 2HH2 ARG 21 -9.308 3.967 -5.966
193 H CYS 22 H CYS 22 -5.023 -0.243 1.584
194 HA CYS 22 HA CYS 22 -3.170 -2.094 0.395
195 HB2 CYS 22 2HB CYS 22 -4.913 -2.448 2.865
196 HB3 CYS 22 3HB CYS 22 -3.407 -3.287 2.480
197 H ASP 23 H ASP 23 -3.739 -4.443 0.136
198 HA ASP 23 HA ASP 23 -6.404 -5.227 -0.503
199 HB2 ASP 23 2HB ASP 23 -6.233 -3.648 -2.367
200 HB3 ASP 23 3HB ASP 23 -4.645 -4.254 -2.811
201 H GLU 24 H GLU 24 -6.521 -7.366 -1.324
202 HA GLU 24 HA GLU 24 -4.117 -8.916 -1.946
203 HB2 GLU 24 2HB GLU 24 -4.655 -10.698 -0.295
204 HB3 GLU 24 3HB GLU 24 -4.277 -9.173 0.503
205 HG2 GLU 24 2HG GLU 24 -6.632 -8.740 0.918
206 HG3 GLU 24 3HG GLU 24 -7.097 -10.166 -0.006
207 H SER 25 H SER 25 -7.111 -8.006 -2.810
208 HA SER 25 HA SER 25 -8.061 -10.588 -3.821
209 HB2 SER 25 2HB SER 25 -9.195 -7.769 -4.155
210 HB3 SER 25 3HB SER 25 -9.970 -9.251 -4.729
211 HG SER 25 HG SER 25 -10.831 -8.823 -2.768
212 H ASN 26 H ASN 26 -7.182 -7.416 -5.172
213 HA ASN 26 HA ASN 26 -6.827 -8.465 -7.873
214 HB2 ASN 26 2HB ASN 26 -6.294 -5.623 -6.883
215 HB3 ASN 26 3HB ASN 26 -6.596 -6.137 -8.540
216 HD21 ASN 26 1HD2 ASN 26 -8.034 -5.508 -5.430
217 HD22 ASN 26 2HD2 ASN 26 -9.673 -5.445 -5.969
218 H HIS 27 H HIS 27 -4.975 -8.014 -5.099
219 HA HIS 27 HA HIS 27 -2.855 -8.327 -4.515
220 HB2 HIS 27 2HB HIS 27 -2.588 -9.540 -7.292
221 HB3 HIS 27 3HB HIS 27 -1.313 -9.603 -6.073
222 HD1 HIS 27 HD1 HIS 27 -3.327 -11.959 -7.340
223 HD2 HIS 27 HD2 HIS 27 -3.160 -10.405 -3.499
224 HE1 HIS 27 HE1 HIS 27 -4.351 -13.691 -5.842
225 HE2 HIS 27 HE2 HIS 27 -4.366 -12.669 -3.567
226 H CYS 28 H CYS 28 -3.438 -5.821 -5.016
227 HA CYS 28 HA CYS 28 -0.897 -4.698 -5.783
228 HB2 CYS 28 2HB CYS 28 -2.119 -5.017 -7.974
229 HB3 CYS 28 3HB CYS 28 -3.322 -3.854 -7.413
230 H VAL 29 H VAL 29 -0.504 -3.164 -4.371
231 HA VAL 29 HA VAL 29 -2.635 -1.815 -2.874
232 HB VAL 29 HB VAL 29 0.395 -1.950 -2.468
233 HG11 VAL 29 1HG1 VAL 29 -0.382 0.268 -1.718
234 HG12 VAL 29 2HG1 VAL 29 0.093 -0.728 -0.342
235 HG13 VAL 29 3HG1 VAL 29 -1.620 -0.494 -0.711
236 HG21 VAL 29 1HG2 VAL 29 -0.815 -4.025 -1.882
237 HG22 VAL 29 2HG2 VAL 29 -1.876 -3.113 -0.804
238 HG23 VAL 29 3HG2 VAL 29 -0.152 -3.248 -0.441
239 H GLU 30 H GLU 30 -3.390 0.048 -3.709
240 HA GLU 30 HA GLU 30 -1.791 1.755 -5.472
241 HB2 GLU 30 2HB GLU 30 -4.178 1.395 -6.037
242 HB3 GLU 30 3HB GLU 30 -4.665 2.063 -4.477
243 HG2 GLU 30 2HG GLU 30 -3.427 4.212 -5.205
244 HG3 GLU 30 3HG GLU 30 -3.394 3.517 -6.811
245 H VAL 31 H VAL 31 -0.472 3.272 -4.536
246 HA VAL 31 HA VAL 31 -1.268 4.462 -1.949
247 HB VAL 31 HB VAL 31 1.411 4.758 -3.362
248 HG11 VAL 31 1HG1 VAL 31 0.928 6.522 -1.738
249 HG12 VAL 31 2HG1 VAL 31 2.200 5.467 -1.119
250 HG13 VAL 31 3HG1 VAL 31 0.551 5.318 -0.504
251 HG21 VAL 31 1HG2 VAL 31 1.035 2.379 -2.865
252 HG22 VAL 31 2HG2 VAL 31 0.672 2.776 -1.180
253 HG23 VAL 31 3HG2 VAL 31 2.295 3.047 -1.826
254 H ARG 32 H ARG 32 -2.507 6.133 -2.254
255 HA ARG 32 HA ARG 32 -2.120 8.115 -4.409
256 HB2 ARG 32 2HB ARG 32 -4.345 7.010 -4.207
257 HB3 ARG 32 3HB ARG 32 -4.462 7.534 -2.532
258 HG2 ARG 32 2HG ARG 32 -4.485 9.909 -3.320
259 HG3 ARG 32 3HG ARG 32 -4.472 9.323 -4.978
260 HD2 ARG 32 2HD ARG 32 -6.642 8.878 -2.908
261 HD3 ARG 32 3HD ARG 32 -6.747 9.877 -4.356
262 HE ARG 32 HE ARG 32 -6.424 6.928 -4.456
263 HH11 ARG 32 1HH1 ARG 32 -8.115 9.829 -5.582
264 HH12 ARG 32 2HH1 ARG 32 -9.076 8.948 -6.733
265 HH21 ARG 32 1HH2 ARG 32 -7.627 5.831 -5.984
266 HH22 ARG 32 2HH2 ARG 32 -8.799 6.669 -6.964
267 H CYS 33 H CYS 33 -0.425 9.381 -3.446
268 HA CYS 33 HA CYS 33 -0.389 10.123 -0.706
269 HB2 CYS 33 2HB CYS 33 1.090 11.283 -3.086
270 HB3 CYS 33 3HB CYS 33 1.366 11.798 -1.421
271 H SER 34 H SER 34 -1.200 12.129 -3.568
272 HA SER 34 HA SER 34 -3.579 13.165 -2.454
273 HB2 SER 34 2HB SER 34 -1.947 14.525 -1.063
274 HB3 SER 34 3HB SER 34 -1.313 15.236 -2.548
275 HG SER 34 HG SER 34 -3.000 16.500 -2.644
276 H ASP 35 H ASP 35 -0.977 14.526 -4.455
277 HA ASP 35 HA ASP 35 -2.717 14.588 -6.847
278 HB2 ASP 35 2HB ASP 35 -1.661 16.732 -6.262
279 HB3 ASP 35 3HB ASP 35 -0.073 15.979 -6.195
280 H THR 36 H THR 36 0.323 13.416 -5.524
281 HA THR 36 HA THR 36 1.097 11.968 -7.919
282 HB THR 36 HB THR 36 2.393 12.141 -5.154
283 HG1 THR 36 HG1 THR 36 2.519 13.656 -7.492
284 HG21 THR 36 1HG2 THR 36 3.515 10.992 -7.745
285 HG22 THR 36 2HG2 THR 36 3.098 10.059 -6.303
286 HG23 THR 36 3HG2 THR 36 4.423 11.225 -6.252
287 H LYS 37 H LYS 37 0.459 9.949 -8.304
288 HA LYS 37 HA LYS 37 -0.298 8.121 -6.107
289 HB2 LYS 37 2HB LYS 37 -2.351 8.930 -7.227
290 HB3 LYS 37 3HB LYS 37 -1.712 8.450 -8.796
291 HG2 LYS 37 2HG LYS 37 -1.700 6.054 -7.988
292 HG3 LYS 37 3HG LYS 37 -2.479 6.599 -6.497
293 HD2 LYS 37 2HD LYS 37 -3.619 6.838 -9.313
294 HD3 LYS 37 3HD LYS 37 -4.140 5.694 -8.072
295 HE2 LYS 37 2HE LYS 37 -4.883 7.575 -6.654
296 HE3 LYS 37 3HE LYS 37 -4.361 8.720 -7.895
297 HZ1 LYS 37 1HZ LYS 37 -5.935 7.594 -9.421
298 HZ2 LYS 37 2HZ LYS 37 -6.674 8.393 -8.129
299 HZ3 LYS 37 3HZ LYS 37 -6.526 6.710 -8.108
300 H TYR 38 H TYR 38 0.789 6.297 -6.205
301 HA TYR 38 HA TYR 38 1.785 5.184 -8.740
302 HB2 TYR 38 2HB TYR 38 3.913 4.494 -7.471
303 HB3 TYR 38 3HB TYR 38 3.781 6.188 -7.892
304 HD1 TYR 38 HD1 TYR 38 3.884 3.798 -5.110
305 HD2 TYR 38 HD2 TYR 38 3.364 7.907 -6.161
306 HE1 TYR 38 HE1 TYR 38 4.200 4.429 -2.765
307 HE2 TYR 38 HE2 TYR 38 3.708 8.552 -3.828
308 HH TYR 38 HH TYR 38 3.414 7.496 -1.607
309 H THR 39 H THR 39 1.529 3.012 -8.846
310 HA THR 39 HA THR 39 0.102 1.725 -6.592
311 HB THR 39 HB THR 39 -0.322 1.165 -9.569
312 HG1 THR 39 HG1 THR 39 -0.920 3.377 -8.881
313 HG21 THR 39 1HG2 THR 39 -2.437 0.150 -8.796
314 HG22 THR 39 2HG2 THR 39 -2.018 0.532 -7.126
315 HG23 THR 39 3HG2 THR 39 -1.049 -0.627 -8.028
316 H LEU 40 H LEU 40 1.225 0.084 -5.759
317 HA LEU 40 HA LEU 40 3.362 -1.245 -7.287
318 HB2 LEU 40 2HB LEU 40 2.958 -0.679 -4.341
319 HB3 LEU 40 3HB LEU 40 3.873 -2.110 -4.800
320 HG LEU 40 HG LEU 40 5.337 -0.481 -6.220
321 HD11 LEU 40 1HD1 LEU 40 3.884 1.463 -6.157
322 HD12 LEU 40 2HD1 LEU 40 5.451 1.832 -5.444
323 HD13 LEU 40 3HD1 LEU 40 4.051 1.564 -4.402
324 HD21 LEU 40 1HD2 LEU 40 5.456 -0.381 -3.192
325 HD22 LEU 40 2HD2 LEU 40 6.775 0.040 -4.285
326 HD23 LEU 40 3HD2 LEU 40 6.172 -1.614 -4.229
327 H CYS 41 H CYS 41 2.373 -2.827 -8.382
328 HA CYS 41 HA CYS 41 0.563 -4.718 -7.070
329 HB2 CYS 41 2HB CYS 41 1.569 -4.665 -9.945
330 HB3 CYS 41 3HB CYS 41 0.290 -5.695 -9.313
Start of MODEL 4
1 H1 SER 1 1H SER 1 -4.664 -15.163 1.035
2 H2 SER 1 2H SER 1 -4.872 -13.487 1.033
3 H3 SER 1 3H SER 1 -4.357 -14.268 2.433
4 HA SER 1 HA SER 1 -2.317 -14.898 1.408
5 HB2 SER 1 2HB SER 1 -1.776 -13.962 -0.882
6 HB3 SER 1 3HB SER 1 -3.078 -15.148 -0.893
7 HG SER 1 HG SER 1 -4.299 -13.688 -1.730
8 H GLN 2 H GLN 2 -0.712 -13.683 2.225
9 HA GLN 2 HA GLN 2 -1.187 -10.885 2.955
10 HB2 GLN 2 2HB GLN 2 -0.427 -12.589 4.648
11 HB3 GLN 2 3HB GLN 2 1.074 -12.774 3.752
12 HG2 GLN 2 2HG GLN 2 1.565 -10.346 4.199
13 HG3 GLN 2 3HG GLN 2 0.123 -10.283 5.211
14 HE21 GLN 2 1HE2 GLN 2 3.003 -9.890 5.859
15 HE22 GLN 2 2HE2 GLN 2 3.314 -10.976 7.165
16 H GLU 3 H GLU 3 -0.417 -11.932 0.150
17 HA GLU 3 HA GLU 3 2.150 -11.039 -0.592
18 HB2 GLU 3 2HB GLU 3 -0.379 -10.992 -2.309
19 HB3 GLU 3 3HB GLU 3 1.282 -10.990 -2.903
20 HG2 GLU 3 2HG GLU 3 1.629 -13.251 -1.998
21 HG3 GLU 3 3HG GLU 3 -0.008 -13.249 -1.341
22 H THR 4 H THR 4 -0.969 -9.424 -1.079
23 HA THR 4 HA THR 4 0.019 -6.825 -1.589
24 HB THR 4 HB THR 4 -2.203 -7.465 -2.342
25 HG1 THR 4 HG1 THR 4 -2.552 -5.393 -2.122
26 HG21 THR 4 1HG2 THR 4 -2.989 -7.693 0.590
27 HG22 THR 4 2HG2 THR 4 -2.870 -9.027 -0.556
28 HG23 THR 4 3HG2 THR 4 -4.097 -7.789 -0.790
29 H ARG 5 H ARG 5 -0.890 -8.498 1.399
30 HA ARG 5 HA ARG 5 -1.443 -6.137 2.923
31 HB2 ARG 5 2HB ARG 5 -0.910 -8.959 3.928
32 HB3 ARG 5 3HB ARG 5 -1.684 -7.659 4.828
33 HG2 ARG 5 2HG ARG 5 -3.627 -7.722 3.383
34 HG3 ARG 5 3HG ARG 5 -2.841 -8.884 2.305
35 HD2 ARG 5 2HD ARG 5 -2.808 -10.551 4.125
36 HD3 ARG 5 3HD ARG 5 -3.568 -9.393 5.218
37 HE ARG 5 HE ARG 5 -4.824 -10.773 2.938
38 HH11 ARG 5 1HH1 ARG 5 -5.196 -8.625 5.710
39 HH12 ARG 5 2HH1 ARG 5 -6.928 -8.759 5.721
40 HH21 ARG 5 1HH2 ARG 5 -7.069 -10.992 3.012
41 HH22 ARG 5 2HH2 ARG 5 -7.992 -10.107 4.189
42 H LYS 6 H LYS 6 1.341 -8.342 2.695
43 HA LYS 6 HA LYS 6 2.961 -7.245 4.721
44 HB2 LYS 6 2HB LYS 6 3.682 -9.359 3.984
45 HB3 LYS 6 3HB LYS 6 3.478 -8.966 2.289
46 HG2 LYS 6 2HG LYS 6 5.644 -7.511 3.772
47 HG3 LYS 6 3HG LYS 6 5.908 -9.221 3.451
48 HD2 LYS 6 2HD LYS 6 6.216 -8.891 1.183
49 HD3 LYS 6 3HD LYS 6 4.988 -7.631 1.090
50 HE2 LYS 6 2HE LYS 6 7.193 -6.728 0.557
51 HE3 LYS 6 3HE LYS 6 6.574 -6.006 2.041
52 HZ1 LYS 6 1HZ LYS 6 7.992 -7.645 3.265
53 HZ2 LYS 6 2HZ LYS 6 8.852 -6.506 2.362
54 HZ3 LYS 6 3HZ LYS 6 8.679 -8.085 1.786
55 H LYS 7 H LYS 7 2.770 -6.593 1.225
56 HA LYS 7 HA LYS 7 4.766 -4.560 1.214
57 HB2 LYS 7 2HB LYS 7 4.378 -5.849 -0.796
58 HB3 LYS 7 3HB LYS 7 2.685 -5.366 -0.850
59 HG2 LYS 7 2HG LYS 7 3.258 -3.096 -1.438
60 HG3 LYS 7 3HG LYS 7 4.966 -3.372 -1.102
61 HD2 LYS 7 2HD LYS 7 3.410 -4.737 -3.323
62 HD3 LYS 7 3HD LYS 7 4.397 -3.295 -3.542
63 HE2 LYS 7 2HE LYS 7 6.398 -4.567 -2.821
64 HE3 LYS 7 3HE LYS 7 5.403 -6.014 -2.634
65 HZ1 LYS 7 1HZ LYS 7 4.875 -5.872 -5.005
66 HZ2 LYS 7 2HZ LYS 7 6.533 -6.043 -4.734
67 HZ3 LYS 7 3HZ LYS 7 5.894 -4.536 -5.165
68 H CYS 8 H CYS 8 1.291 -4.590 1.691
69 HA CYS 8 HA CYS 8 0.766 -1.835 1.267
70 HB2 CYS 8 2HB CYS 8 -1.039 -3.562 1.354
71 HB3 CYS 8 3HB CYS 8 -0.758 -3.746 3.084
72 H THR 9 H THR 9 1.339 -3.771 4.223
73 HA THR 9 HA THR 9 1.426 -1.715 6.116
74 HB THR 9 HB THR 9 3.009 -4.329 6.141
75 HG1 THR 9 HG1 THR 9 1.203 -5.288 6.760
76 HG21 THR 9 1HG2 THR 9 3.729 -2.736 7.917
77 HG22 THR 9 2HG2 THR 9 2.916 -4.148 8.595
78 HG23 THR 9 3HG2 THR 9 2.054 -2.615 8.467
79 H GLU 10 H GLU 10 3.960 -3.104 4.072
80 HA GLU 10 HA GLU 10 6.192 -1.745 5.144
81 HB2 GLU 10 2HB GLU 10 6.308 -3.837 3.798
82 HB3 GLU 10 3HB GLU 10 5.828 -2.937 2.365
83 HG2 GLU 10 2HG GLU 10 7.897 -1.690 2.359
84 HG3 GLU 10 3HG GLU 10 8.340 -2.310 3.949
85 H MET 11 H MET 11 3.879 -0.903 2.602
86 HA MET 11 HA MET 11 5.264 1.548 1.907
87 HB2 MET 11 2HB MET 11 2.582 0.448 1.019
88 HB3 MET 11 3HB MET 11 3.236 1.984 0.470
89 HG2 MET 11 2HG MET 11 4.616 -0.675 0.025
90 HG3 MET 11 3HG MET 11 3.523 0.071 -1.130
91 HE1 MET 11 1HE MET 11 7.186 -0.224 0.041
92 HE2 MET 11 2HE MET 11 6.794 1.190 1.019
93 HE3 MET 11 3HE MET 11 7.888 1.343 -0.354
94 H LYS 12 H LYS 12 2.672 0.648 4.171
95 HA LYS 12 HA LYS 12 1.656 3.304 4.566
96 HB2 LYS 12 2HB LYS 12 1.546 0.924 6.477
97 HB3 LYS 12 3HB LYS 12 0.653 2.428 6.687
98 HG2 LYS 12 2HG LYS 12 -0.479 1.926 4.463
99 HG3 LYS 12 3HG LYS 12 0.262 0.336 4.539
100 HD2 LYS 12 2HD LYS 12 -1.938 0.037 5.383
101 HD3 LYS 12 3HD LYS 12 -0.897 0.047 6.810
102 HE2 LYS 12 2HE LYS 12 -1.496 2.409 7.226
103 HE3 LYS 12 3HE LYS 12 -2.511 2.409 5.783
104 HZ1 LYS 12 1HZ LYS 12 -2.934 0.658 8.143
105 HZ2 LYS 12 2HZ LYS 12 -3.939 0.780 6.792
106 HZ3 LYS 12 3HZ LYS 12 -3.776 2.091 7.844
107 H LYS 13 H LYS 13 4.162 1.353 6.115
108 HA LYS 13 HA LYS 13 4.818 3.282 8.136
109 HB2 LYS 13 2HB LYS 13 6.643 1.795 8.730
110 HB3 LYS 13 3HB LYS 13 5.200 0.836 8.434
111 HG2 LYS 13 2HG LYS 13 6.077 0.266 6.171
112 HG3 LYS 13 3HG LYS 13 7.544 1.175 6.531
113 HD2 LYS 13 2HD LYS 13 7.983 -1.188 6.859
114 HD3 LYS 13 3HD LYS 13 8.009 -0.389 8.429
115 HE2 LYS 13 2HE LYS 13 5.765 -1.250 8.923
116 HE3 LYS 13 3HE LYS 13 5.666 -1.969 7.313
117 HZ1 LYS 13 1HZ LYS 13 7.451 -3.456 7.859
118 HZ2 LYS 13 2HZ LYS 13 6.273 -3.573 9.064
119 HZ3 LYS 13 3HZ LYS 13 7.696 -2.713 9.354
120 H LYS 14 H LYS 14 5.835 2.716 4.842
121 HA LYS 14 HA LYS 14 8.198 4.424 4.966
122 HB2 LYS 14 2HB LYS 14 7.550 2.310 3.378
123 HB3 LYS 14 3HB LYS 14 6.959 3.581 2.334
124 HG2 LYS 14 2HG LYS 14 9.784 3.777 3.366
125 HG3 LYS 14 3HG LYS 14 9.428 2.569 2.142
126 HD2 LYS 14 2HD LYS 14 10.078 4.295 0.770
127 HD3 LYS 14 3HD LYS 14 8.358 4.655 0.867
128 HE2 LYS 14 2HE LYS 14 9.557 6.710 1.119
129 HE3 LYS 14 3HE LYS 14 8.916 6.301 2.705
130 HZ1 LYS 14 1HZ LYS 14 11.155 7.023 2.972
131 HZ2 LYS 14 2HZ LYS 14 11.714 5.984 1.768
132 HZ3 LYS 14 3HZ LYS 14 11.152 5.351 3.223
133 H PHE 15 H PHE 15 4.800 4.635 4.141
134 HA PHE 15 HA PHE 15 5.054 7.495 3.384
135 HB2 PHE 15 2HB PHE 15 3.157 5.470 2.116
136 HB3 PHE 15 3HB PHE 15 3.268 7.173 1.705
137 HD1 PHE 15 HD1 PHE 15 4.120 4.010 0.554
138 HD2 PHE 15 HD2 PHE 15 5.880 7.880 1.082
139 HE1 PHE 15 HE1 PHE 15 5.787 3.500 -1.177
140 HE2 PHE 15 HE2 PHE 15 7.540 7.348 -0.657
141 HZ PHE 15 HZ PHE 15 7.496 5.159 -1.787
142 H LYS 16 H LYS 16 4.647 7.663 5.749
143 HA LYS 16 HA LYS 16 2.145 6.993 6.930
144 HB2 LYS 16 2HB LYS 16 2.780 8.539 8.751
145 HB3 LYS 16 3HB LYS 16 4.120 7.484 8.318
146 HG2 LYS 16 2HG LYS 16 5.301 9.253 7.213
147 HG3 LYS 16 3HG LYS 16 3.888 10.310 7.229
148 HD2 LYS 16 2HD LYS 16 5.533 11.041 8.889
149 HD3 LYS 16 3HD LYS 16 4.053 10.510 9.686
150 HE2 LYS 16 2HE LYS 16 6.012 9.722 10.913
151 HE3 LYS 16 3HE LYS 16 5.157 8.343 10.221
152 HZ1 LYS 16 1HZ LYS 16 6.778 8.240 8.464
153 HZ2 LYS 16 2HZ LYS 16 7.568 8.196 9.954
154 HZ3 LYS 16 3HZ LYS 16 7.568 9.618 9.041
155 H ASN 17 H ASN 17 3.100 9.553 4.818
156 HA ASN 17 HA ASN 17 0.857 11.330 5.516
157 HB2 ASN 17 2HB ASN 17 3.174 11.690 3.559
158 HB3 ASN 17 3HB ASN 17 1.958 12.918 3.910
159 HD21 ASN 17 1HD2 ASN 17 4.904 12.876 4.329
160 HD22 ASN 17 2HD2 ASN 17 5.126 13.276 5.992
161 H CYS 18 H CYS 18 1.562 8.851 3.258
162 HA CYS 18 HA CYS 18 -0.441 9.794 1.306
163 HB2 CYS 18 2HB CYS 18 1.688 7.647 1.118
164 HB3 CYS 18 3HB CYS 18 0.487 7.949 -0.133
165 H GLU 19 H GLU 19 -2.070 8.430 0.577
166 HA GLU 19 HA GLU 19 -3.311 6.820 2.649
167 HB2 GLU 19 2HB GLU 19 -4.505 8.657 1.323
168 HB3 GLU 19 3HB GLU 19 -4.402 7.615 -0.087
169 HG2 GLU 19 2HG GLU 19 -5.797 5.914 1.046
170 HG3 GLU 19 3HG GLU 19 -5.873 6.929 2.487
171 H VAL 20 H VAL 20 -1.900 5.028 2.558
172 HA VAL 20 HA VAL 20 -1.430 3.509 0.121
173 HB VAL 20 HB VAL 20 -0.712 2.881 3.026
174 HG11 VAL 20 1HG1 VAL 20 0.959 1.328 2.061
175 HG12 VAL 20 2HG1 VAL 20 0.348 1.683 0.443
176 HG13 VAL 20 3HG1 VAL 20 -0.687 0.870 1.620
177 HG21 VAL 20 1HG2 VAL 20 0.290 5.013 2.276
178 HG22 VAL 20 2HG2 VAL 20 1.017 4.178 0.902
179 HG23 VAL 20 3HG2 VAL 20 1.514 3.767 2.541
180 H ARG 21 H ARG 21 -2.963 2.039 -0.578
181 HA ARG 21 HA ARG 21 -4.980 0.988 1.330
182 HB2 ARG 21 2HB ARG 21 -5.172 1.464 -1.676
183 HB3 ARG 21 3HB ARG 21 -6.446 0.743 -0.697
184 HG2 ARG 21 2HG ARG 21 -6.614 2.876 0.596
185 HG3 ARG 21 3HG ARG 21 -5.390 3.588 -0.460
186 HD2 ARG 21 2HD ARG 21 -6.862 3.333 -2.393
187 HD3 ARG 21 3HD ARG 21 -8.058 2.482 -1.414
188 HE ARG 21 HE ARG 21 -7.354 5.256 -0.715
189 HH11 ARG 21 1HH1 ARG 21 -9.759 3.020 -2.007
190 HH12 ARG 21 2HH1 ARG 21 -11.059 4.160 -1.893
191 HH21 ARG 21 1HH2 ARG 21 -9.084 6.750 -0.601
192 HH22 ARG 21 2HH2 ARG 21 -10.675 6.278 -1.097
193 H CYS 22 H CYS 22 -4.931 -1.136 1.734
194 HA CYS 22 HA CYS 22 -3.360 -3.027 0.185
195 HB2 CYS 22 2HB CYS 22 -5.281 -3.822 2.387
196 HB3 CYS 22 3HB CYS 22 -3.722 -4.527 1.966
197 H ASP 23 H ASP 23 -4.383 -5.031 -0.752
198 HA ASP 23 HA ASP 23 -7.192 -5.083 -1.376
199 HB2 ASP 23 2HB ASP 23 -6.245 -3.129 -2.824
200 HB3 ASP 23 3HB ASP 23 -5.437 -4.371 -3.771
201 H GLU 24 H GLU 24 -7.243 -7.262 -1.045
202 HA GLU 24 HA GLU 24 -5.169 -9.045 -1.992
203 HB2 GLU 24 2HB GLU 24 -6.255 -9.300 0.238
204 HB3 GLU 24 3HB GLU 24 -7.776 -9.689 -0.557
205 HG2 GLU 24 2HG GLU 24 -6.717 -11.718 -1.548
206 HG3 GLU 24 3HG GLU 24 -5.211 -11.325 -0.714
207 H SER 25 H SER 25 -8.284 -7.986 -3.109
208 HA SER 25 HA SER 25 -8.973 -10.152 -4.808
209 HB2 SER 25 2HB SER 25 -9.678 -7.195 -5.063
210 HB3 SER 25 3HB SER 25 -10.532 -8.534 -5.846
211 HG SER 25 HG SER 25 -10.598 -9.233 -3.402
212 H ASN 26 H ASN 26 -7.262 -7.100 -5.389
213 HA ASN 26 HA ASN 26 -6.414 -7.822 -8.082
214 HB2 ASN 26 2HB ASN 26 -5.723 -5.376 -6.383
215 HB3 ASN 26 3HB ASN 26 -5.339 -5.575 -8.093
216 HD21 ASN 26 1HD2 ASN 26 -6.893 -3.495 -6.807
217 HD22 ASN 26 2HD2 ASN 26 -8.457 -3.517 -7.535
218 H HIS 27 H HIS 27 -5.341 -8.337 -4.901
219 HA HIS 27 HA HIS 27 -3.474 -9.052 -3.868
220 HB2 HIS 27 2HB HIS 27 -2.640 -9.966 -6.658
221 HB3 HIS 27 3HB HIS 27 -1.866 -10.477 -5.163
222 HD1 HIS 27 HD1 HIS 27 -3.025 -12.298 -3.768
223 HD2 HIS 27 HD2 HIS 27 -5.204 -11.157 -7.121
224 HE1 HIS 27 HE1 HIS 27 -4.867 -13.983 -3.993
225 HE2 HIS 27 HE2 HIS 27 -6.223 -13.211 -5.960
226 H CYS 28 H CYS 28 -3.579 -6.313 -4.839
227 HA CYS 28 HA CYS 28 -0.724 -5.624 -5.180
228 HB2 CYS 28 2HB CYS 28 -1.814 -5.672 -7.422
229 HB3 CYS 28 3HB CYS 28 -3.006 -4.501 -6.864
230 H VAL 29 H VAL 29 -0.239 -3.383 -4.649
231 HA VAL 29 HA VAL 29 -2.076 -2.211 -2.624
232 HB VAL 29 HB VAL 29 0.957 -1.870 -2.867
233 HG11 VAL 29 1HG1 VAL 29 -0.904 -0.953 -0.644
234 HG12 VAL 29 2HG1 VAL 29 -0.101 0.096 -1.813
235 HG13 VAL 29 3HG1 VAL 29 0.856 -0.810 -0.636
236 HG21 VAL 29 1HG2 VAL 29 1.135 -3.302 -0.883
237 HG22 VAL 29 2HG2 VAL 29 0.375 -4.167 -2.226
238 HG23 VAL 29 3HG2 VAL 29 -0.613 -3.549 -0.896
239 H GLU 30 H GLU 30 -2.947 -0.275 -3.148
240 HA GLU 30 HA GLU 30 -1.612 1.404 -5.205
241 HB2 GLU 30 2HB GLU 30 -3.823 0.671 -5.923
242 HB3 GLU 30 3HB GLU 30 -4.550 1.272 -4.433
243 HG2 GLU 30 2HG GLU 30 -4.082 3.575 -5.039
244 HG3 GLU 30 3HG GLU 30 -3.105 3.068 -6.411
245 H VAL 31 H VAL 31 -0.557 3.046 -4.341
246 HA VAL 31 HA VAL 31 -1.333 4.195 -1.742
247 HB VAL 31 HB VAL 31 1.223 4.659 -3.338
248 HG11 VAL 31 1HG1 VAL 31 2.121 5.456 -1.158
249 HG12 VAL 31 2HG1 VAL 31 0.519 5.243 -0.446
250 HG13 VAL 31 3HG1 VAL 31 0.762 6.430 -1.728
251 HG21 VAL 31 1HG2 VAL 31 0.787 2.686 -1.069
252 HG22 VAL 31 2HG2 VAL 31 2.337 3.053 -1.835
253 HG23 VAL 31 3HG2 VAL 31 1.055 2.271 -2.765
254 H ARG 32 H ARG 32 -2.641 5.929 -1.929
255 HA ARG 32 HA ARG 32 -2.531 7.722 -4.254
256 HB2 ARG 32 2HB ARG 32 -4.739 6.767 -3.531
257 HB3 ARG 32 3HB ARG 32 -4.553 7.571 -1.974
258 HG2 ARG 32 2HG ARG 32 -4.488 9.781 -3.227
259 HG3 ARG 32 3HG ARG 32 -4.889 8.880 -4.686
260 HD2 ARG 32 2HD ARG 32 -6.587 9.123 -2.190
261 HD3 ARG 32 3HD ARG 32 -6.889 9.894 -3.749
262 HE ARG 32 HE ARG 32 -6.790 6.987 -3.773
263 HH11 ARG 32 1HH1 ARG 32 -8.864 9.820 -3.560
264 HH12 ARG 32 2HH1 ARG 32 -10.293 8.958 -4.020
265 HH21 ARG 32 1HH2 ARG 32 -8.674 5.858 -4.348
266 HH22 ARG 32 2HH2 ARG 32 -10.182 6.697 -4.469
267 H CYS 33 H CYS 33 -0.617 8.973 -3.689
268 HA CYS 33 HA CYS 33 -0.815 10.746 -1.344
269 HB2 CYS 33 2HB CYS 33 1.136 10.940 -3.670
270 HB3 CYS 33 3HB CYS 33 1.297 11.686 -2.083
271 H SER 34 H SER 34 -0.837 13.161 -1.734
272 HA SER 34 HA SER 34 -3.180 13.897 -3.065
273 HB2 SER 34 2HB SER 34 -0.910 15.694 -2.130
274 HB3 SER 34 3HB SER 34 -2.569 16.217 -2.452
275 HG SER 34 HG SER 34 -2.554 15.835 -0.331
276 H ASP 35 H ASP 35 0.166 14.140 -4.149
277 HA ASP 35 HA ASP 35 -0.700 15.229 -6.778
278 HB2 ASP 35 2HB ASP 35 1.917 15.730 -5.282
279 HB3 ASP 35 3HB ASP 35 1.533 16.347 -6.884
280 H THR 36 H THR 36 0.333 12.421 -5.378
281 HA THR 36 HA THR 36 1.619 11.461 -7.835
282 HB THR 36 HB THR 36 3.018 11.101 -5.133
283 HG1 THR 36 HG1 THR 36 3.348 12.994 -7.195
284 HG21 THR 36 1HG2 THR 36 4.902 10.244 -6.477
285 HG22 THR 36 2HG2 THR 36 3.953 10.441 -7.949
286 HG23 THR 36 3HG2 THR 36 3.460 9.259 -6.739
287 H LYS 37 H LYS 37 -0.214 10.117 -8.137
288 HA LYS 37 HA LYS 37 -0.785 8.043 -6.123
289 HB2 LYS 37 2HB LYS 37 -2.592 9.330 -7.520
290 HB3 LYS 37 3HB LYS 37 -2.142 8.265 -8.836
291 HG2 LYS 37 2HG LYS 37 -2.719 6.760 -6.367
292 HG3 LYS 37 3HG LYS 37 -4.076 7.766 -6.849
293 HD2 LYS 37 2HD LYS 37 -4.455 5.618 -7.824
294 HD3 LYS 37 3HD LYS 37 -3.940 6.664 -9.145
295 HE2 LYS 37 2HE LYS 37 -1.676 5.679 -9.040
296 HE3 LYS 37 3HE LYS 37 -2.173 4.685 -7.670
297 HZ1 LYS 37 1HZ LYS 37 -3.267 4.514 -10.427
298 HZ2 LYS 37 2HZ LYS 37 -3.800 3.607 -9.114
299 HZ3 LYS 37 3HZ LYS 37 -2.229 3.405 -9.689
300 H TYR 38 H TYR 38 0.353 6.224 -6.185
301 HA TYR 38 HA TYR 38 1.288 5.059 -8.732
302 HB2 TYR 38 2HB TYR 38 3.473 4.424 -7.558
303 HB3 TYR 38 3HB TYR 38 3.296 6.116 -7.977
304 HD1 TYR 38 HD1 TYR 38 3.758 3.774 -5.182
305 HD2 TYR 38 HD2 TYR 38 2.759 7.796 -6.212
306 HE1 TYR 38 HE1 TYR 38 4.194 4.481 -2.883
307 HE2 TYR 38 HE2 TYR 38 3.223 8.502 -3.925
308 HH TYR 38 HH TYR 38 3.239 7.490 -1.686
309 H THR 39 H THR 39 1.710 2.784 -8.593
310 HA THR 39 HA THR 39 0.246 1.395 -6.429
311 HB THR 39 HB THR 39 -0.047 0.886 -9.436
312 HG1 THR 39 HG1 THR 39 -2.357 1.551 -8.267
313 HG21 THR 39 1HG2 THR 39 -0.369 -1.180 -8.130
314 HG22 THR 39 2HG2 THR 39 -1.896 -0.616 -8.811
315 HG23 THR 39 3HG2 THR 39 -1.546 -0.350 -7.103
316 H LEU 40 H LEU 40 1.469 -0.149 -5.559
317 HA LEU 40 HA LEU 40 3.694 -1.412 -7.063
318 HB2 LEU 40 2HB LEU 40 3.472 -0.575 -4.150
319 HB3 LEU 40 3HB LEU 40 4.510 -1.918 -4.590
320 HG LEU 40 HG LEU 40 5.763 -0.334 -6.145
321 HD11 LEU 40 1HD1 LEU 40 4.188 1.802 -4.694
322 HD12 LEU 40 2HD1 LEU 40 4.084 1.406 -6.411
323 HD13 LEU 40 3HD1 LEU 40 5.574 2.081 -5.754
324 HD21 LEU 40 1HD2 LEU 40 7.078 0.678 -4.325
325 HD22 LEU 40 2HD2 LEU 40 6.671 -1.004 -3.979
326 HD23 LEU 40 3HD2 LEU 40 5.787 0.299 -3.183
327 H CYS 41 H CYS 41 2.884 -3.317 -7.751
328 HA CYS 41 HA CYS 41 1.007 -4.877 -6.142
329 HB2 CYS 41 2HB CYS 41 2.120 -5.404 -8.927
330 HB3 CYS 41 3HB CYS 41 0.840 -6.322 -8.138
Start of MODEL 5
1 H1 SER 1 1H SER 1 -1.871 -17.020 4.653
2 H2 SER 1 2H SER 1 -2.393 -15.678 3.771
3 H3 SER 1 3H SER 1 -2.023 -15.518 5.411
4 HA SER 1 HA SER 1 0.269 -15.988 5.002
5 HB2 SER 1 2HB SER 1 -0.522 -16.050 2.057
6 HB3 SER 1 3HB SER 1 1.102 -16.291 2.714
7 HG SER 1 HG SER 1 0.491 -18.248 3.513
8 H GLN 2 H GLN 2 0.798 -13.947 5.694
9 HA GLN 2 HA GLN 2 -0.219 -11.535 4.491
10 HB2 GLN 2 2HB GLN 2 0.394 -11.713 6.923
11 HB3 GLN 2 3HB GLN 2 2.089 -11.821 6.459
12 HG2 GLN 2 2HG GLN 2 1.904 -9.558 5.415
13 HG3 GLN 2 3HG GLN 2 0.239 -9.463 5.981
14 HE21 GLN 2 1HE2 GLN 2 3.600 -9.429 6.948
15 HE22 GLN 2 2HE2 GLN 2 3.341 -8.789 8.530
16 H GLU 3 H GLU 3 0.375 -11.395 2.398
17 HA GLU 3 HA GLU 3 3.241 -11.313 1.669
18 HB2 GLU 3 2HB GLU 3 2.327 -13.432 0.908
19 HB3 GLU 3 3HB GLU 3 0.915 -12.651 0.230
20 HG2 GLU 3 2HG GLU 3 3.651 -12.034 -0.888
21 HG3 GLU 3 3HG GLU 3 2.837 -13.529 -1.332
22 H THR 4 H THR 4 0.055 -10.570 0.153
23 HA THR 4 HA THR 4 1.063 -8.091 -0.958
24 HB THR 4 HB THR 4 -0.541 -9.413 -2.246
25 HG1 THR 4 HG1 THR 4 -1.835 -7.005 -1.464
26 HG21 THR 4 1HG2 THR 4 -1.900 -10.375 -0.414
27 HG22 THR 4 2HG2 THR 4 -2.911 -9.589 -1.628
28 HG23 THR 4 3HG2 THR 4 -2.590 -8.778 -0.093
29 H ARG 5 H ARG 5 -0.852 -9.053 1.847
30 HA ARG 5 HA ARG 5 -1.517 -6.427 2.766
31 HB2 ARG 5 2HB ARG 5 -1.129 -9.004 4.349
32 HB3 ARG 5 3HB ARG 5 -1.750 -7.499 5.023
33 HG2 ARG 5 2HG ARG 5 -3.717 -7.618 3.569
34 HG3 ARG 5 3HG ARG 5 -3.088 -9.086 2.812
35 HD2 ARG 5 2HD ARG 5 -3.217 -10.258 4.981
36 HD3 ARG 5 3HD ARG 5 -3.829 -8.787 5.744
37 HE ARG 5 HE ARG 5 -5.496 -9.487 3.580
38 HH11 ARG 5 1HH1 ARG 5 -4.720 -10.596 6.838
39 HH12 ARG 5 2HH1 ARG 5 -6.276 -11.322 7.080
40 HH21 ARG 5 1HH2 ARG 5 -7.518 -10.412 3.932
41 HH22 ARG 5 2HH2 ARG 5 -7.862 -11.219 5.435
42 H LYS 6 H LYS 6 1.300 -8.557 3.118
43 HA LYS 6 HA LYS 6 2.865 -7.047 4.905
44 HB2 LYS 6 2HB LYS 6 3.621 -9.261 4.436
45 HB3 LYS 6 3HB LYS 6 3.565 -9.011 2.703
46 HG2 LYS 6 2HG LYS 6 5.535 -7.375 4.267
47 HG3 LYS 6 3HG LYS 6 5.873 -9.089 4.092
48 HD2 LYS 6 2HD LYS 6 6.613 -8.814 1.950
49 HD3 LYS 6 3HD LYS 6 5.162 -7.929 1.489
50 HE2 LYS 6 2HE LYS 6 7.143 -6.548 1.109
51 HE3 LYS 6 3HE LYS 6 6.157 -5.844 2.390
52 HZ1 LYS 6 1HZ LYS 6 8.514 -5.814 2.914
53 HZ2 LYS 6 2HZ LYS 6 8.583 -7.497 2.833
54 HZ3 LYS 6 3HZ LYS 6 7.657 -6.747 4.030
55 H LYS 7 H LYS 7 2.566 -6.905 1.366
56 HA LYS 7 HA LYS 7 4.456 -4.926 0.808
57 HB2 LYS 7 2HB LYS 7 3.268 -6.237 -0.957
58 HB3 LYS 7 3HB LYS 7 1.781 -5.359 -0.607
59 HG2 LYS 7 2HG LYS 7 2.958 -3.231 -1.252
60 HG3 LYS 7 3HG LYS 7 4.354 -4.198 -1.731
61 HD2 LYS 7 2HD LYS 7 1.568 -4.315 -2.952
62 HD3 LYS 7 3HD LYS 7 2.994 -3.568 -3.670
63 HE2 LYS 7 2HE LYS 7 2.539 -6.525 -3.176
64 HE3 LYS 7 3HE LYS 7 2.635 -5.690 -4.729
65 HZ1 LYS 7 1HZ LYS 7 4.870 -5.935 -2.794
66 HZ2 LYS 7 2HZ LYS 7 4.944 -5.209 -4.316
67 HZ3 LYS 7 3HZ LYS 7 4.675 -6.871 -4.184
68 H CYS 8 H CYS 8 0.988 -4.625 1.598
69 HA CYS 8 HA CYS 8 0.854 -1.807 1.502
70 HB2 CYS 8 2HB CYS 8 -1.145 -3.260 1.348
71 HB3 CYS 8 3HB CYS 8 -0.957 -3.703 3.043
72 H THR 9 H THR 9 1.669 -4.019 4.157
73 HA THR 9 HA THR 9 1.563 -2.165 6.292
74 HB THR 9 HB THR 9 3.379 -4.621 6.055
75 HG1 THR 9 HG1 THR 9 1.480 -5.589 6.000
76 HG21 THR 9 1HG2 THR 9 3.982 -3.130 7.940
77 HG22 THR 9 2HG2 THR 9 3.303 -4.650 8.524
78 HG23 THR 9 3HG2 THR 9 2.317 -3.185 8.521
79 H GLU 10 H GLU 10 4.175 -3.204 4.108
80 HA GLU 10 HA GLU 10 6.237 -1.585 5.152
81 HB2 GLU 10 2HB GLU 10 6.582 -3.599 3.662
82 HB3 GLU 10 3HB GLU 10 6.014 -2.634 2.301
83 HG2 GLU 10 2HG GLU 10 7.889 -1.037 2.698
84 HG3 GLU 10 3HG GLU 10 8.474 -2.076 3.996
85 H MET 11 H MET 11 3.810 -1.053 2.616
86 HA MET 11 HA MET 11 4.919 1.428 1.685
87 HB2 MET 11 2HB MET 11 2.174 0.199 1.249
88 HB3 MET 11 3HB MET 11 2.716 1.679 0.473
89 HG2 MET 11 2HG MET 11 3.883 -1.087 0.069
90 HG3 MET 11 3HG MET 11 2.850 -0.206 -1.053
91 HE1 MET 11 1HE MET 11 6.384 -1.227 -0.372
92 HE2 MET 11 2HE MET 11 6.421 0.067 0.828
93 HE3 MET 11 3HE MET 11 7.381 0.201 -0.645
94 H LYS 12 H LYS 12 2.488 0.556 4.135
95 HA LYS 12 HA LYS 12 1.416 3.168 4.528
96 HB2 LYS 12 2HB LYS 12 1.388 0.676 6.257
97 HB3 LYS 12 3HB LYS 12 0.726 2.194 6.851
98 HG2 LYS 12 2HG LYS 12 -0.860 2.226 4.941
99 HG3 LYS 12 3HG LYS 12 -0.232 0.662 4.415
100 HD2 LYS 12 2HD LYS 12 -1.646 1.255 7.047
101 HD3 LYS 12 3HD LYS 12 -2.332 0.394 5.666
102 HE2 LYS 12 2HE LYS 12 -0.683 -1.415 5.966
103 HE3 LYS 12 3HE LYS 12 0.043 -0.542 7.317
104 HZ1 LYS 12 1HZ LYS 12 -2.077 -0.716 8.478
105 HZ2 LYS 12 2HZ LYS 12 -1.405 -2.223 8.125
106 HZ3 LYS 12 3HZ LYS 12 -2.701 -1.645 7.211
107 H LYS 13 H LYS 13 4.016 1.326 6.067
108 HA LYS 13 HA LYS 13 4.525 3.260 8.121
109 HB2 LYS 13 2HB LYS 13 6.342 1.801 8.800
110 HB3 LYS 13 3HB LYS 13 4.944 0.816 8.392
111 HG2 LYS 13 2HG LYS 13 6.038 0.441 6.116
112 HG3 LYS 13 3HG LYS 13 7.488 1.185 6.789
113 HD2 LYS 13 2HD LYS 13 6.122 -1.351 7.774
114 HD3 LYS 13 3HD LYS 13 7.640 -1.259 6.879
115 HE2 LYS 13 2HE LYS 13 7.141 -0.224 9.691
116 HE3 LYS 13 3HE LYS 13 8.081 -1.647 9.239
117 HZ1 LYS 13 1HZ LYS 13 8.733 1.177 8.606
118 HZ2 LYS 13 2HZ LYS 13 9.585 -0.147 8.007
119 HZ3 LYS 13 3HZ LYS 13 9.568 0.162 9.668
120 H LYS 14 H LYS 14 5.843 2.616 4.935
121 HA LYS 14 HA LYS 14 8.127 4.376 5.164
122 HB2 LYS 14 2HB LYS 14 7.587 2.233 3.554
123 HB3 LYS 14 3HB LYS 14 7.104 3.514 2.459
124 HG2 LYS 14 2HG LYS 14 9.833 3.248 3.757
125 HG3 LYS 14 3HG LYS 14 9.441 2.720 2.119
126 HD2 LYS 14 2HD LYS 14 8.937 5.085 1.507
127 HD3 LYS 14 3HD LYS 14 9.353 5.592 3.147
128 HE2 LYS 14 2HE LYS 14 11.662 4.808 2.812
129 HE3 LYS 14 3HE LYS 14 11.250 4.257 1.186
130 HZ1 LYS 14 1HZ LYS 14 10.709 6.568 0.631
131 HZ2 LYS 14 2HZ LYS 14 12.326 6.375 1.085
132 HZ3 LYS 14 3HZ LYS 14 11.220 7.047 2.168
133 H PHE 15 H PHE 15 4.912 4.442 3.754
134 HA PHE 15 HA PHE 15 5.146 7.292 3.014
135 HB2 PHE 15 2HB PHE 15 3.212 5.220 1.908
136 HB3 PHE 15 3HB PHE 15 3.429 6.863 1.320
137 HD1 PHE 15 HD1 PHE 15 4.032 3.651 0.346
138 HD2 PHE 15 HD2 PHE 15 6.234 7.267 0.978
139 HE1 PHE 15 HE1 PHE 15 5.785 2.868 -1.186
140 HE2 PHE 15 HE2 PHE 15 7.971 6.466 -0.560
141 HZ PHE 15 HZ PHE 15 7.750 4.271 -1.637
142 H LYS 16 H LYS 16 4.868 7.404 5.354
143 HA LYS 16 HA LYS 16 2.669 6.689 6.879
144 HB2 LYS 16 2HB LYS 16 3.529 8.469 8.462
145 HB3 LYS 16 3HB LYS 16 4.749 7.327 7.907
146 HG2 LYS 16 2HG LYS 16 5.524 9.002 6.242
147 HG3 LYS 16 3HG LYS 16 4.347 10.157 6.879
148 HD2 LYS 16 2HD LYS 16 5.479 10.123 9.066
149 HD3 LYS 16 3HD LYS 16 6.619 8.907 8.477
150 HE2 LYS 16 2HE LYS 16 7.442 10.538 6.787
151 HE3 LYS 16 3HE LYS 16 6.339 11.750 7.441
152 HZ1 LYS 16 1HZ LYS 16 8.558 12.027 8.307
153 HZ2 LYS 16 2HZ LYS 16 8.561 10.450 8.914
154 HZ3 LYS 16 3HZ LYS 16 7.499 11.597 9.552
155 H ASN 17 H ASN 17 3.045 9.517 4.798
156 HA ASN 17 HA ASN 17 0.545 10.742 5.809
157 HB2 ASN 17 2HB ASN 17 2.772 11.885 4.079
158 HB3 ASN 17 3HB ASN 17 1.295 12.760 4.473
159 HD21 ASN 17 1HD2 ASN 17 4.075 13.378 5.102
160 HD22 ASN 17 2HD2 ASN 17 4.144 13.568 6.814
161 H CYS 18 H CYS 18 1.588 8.745 3.318
162 HA CYS 18 HA CYS 18 -0.179 9.774 1.229
163 HB2 CYS 18 2HB CYS 18 1.616 7.322 1.218
164 HB3 CYS 18 3HB CYS 18 0.830 8.047 -0.183
165 H GLU 19 H GLU 19 -1.972 8.551 0.329
166 HA GLU 19 HA GLU 19 -3.375 6.913 2.283
167 HB2 GLU 19 2HB GLU 19 -4.540 8.647 0.826
168 HB3 GLU 19 3HB GLU 19 -4.251 7.598 -0.548
169 HG2 GLU 19 2HG GLU 19 -5.569 5.800 0.617
170 HG3 GLU 19 3HG GLU 19 -5.978 6.981 1.864
171 H VAL 20 H VAL 20 -2.035 5.126 2.385
172 HA VAL 20 HA VAL 20 -1.480 3.463 0.056
173 HB VAL 20 HB VAL 20 -0.888 3.042 3.021
174 HG11 VAL 20 1HG1 VAL 20 0.121 1.470 0.610
175 HG12 VAL 20 2HG1 VAL 20 -1.005 0.876 1.832
176 HG13 VAL 20 3HG1 VAL 20 0.659 1.248 2.279
177 HG21 VAL 20 1HG2 VAL 20 0.956 3.950 0.778
178 HG22 VAL 20 2HG2 VAL 20 1.409 3.704 2.464
179 HG23 VAL 20 3HG2 VAL 20 0.287 4.993 2.037
180 H ARG 21 H ARG 21 -3.097 2.204 -0.687
181 HA ARG 21 HA ARG 21 -5.283 1.287 1.063
182 HB2 ARG 21 2HB ARG 21 -5.046 1.211 -1.976
183 HB3 ARG 21 3HB ARG 21 -6.485 0.809 -1.038
184 HG2 ARG 21 2HG ARG 21 -6.630 3.152 -0.265
185 HG3 ARG 21 3HG ARG 21 -5.189 3.553 -1.205
186 HD2 ARG 21 2HD ARG 21 -6.352 2.986 -3.280
187 HD3 ARG 21 3HD ARG 21 -7.779 2.473 -2.368
188 HE ARG 21 HE ARG 21 -6.841 5.256 -2.125
189 HH11 ARG 21 1HH1 ARG 21 -9.306 3.029 -3.287
190 HH12 ARG 21 2HH1 ARG 21 -10.459 4.287 -3.588
191 HH21 ARG 21 1HH2 ARG 21 -8.366 6.873 -2.548
192 HH22 ARG 21 2HH2 ARG 21 -9.931 6.459 -3.172
193 H CYS 22 H CYS 22 -4.771 -0.654 2.032
194 HA CYS 22 HA CYS 22 -3.228 -2.740 0.861
195 HB2 CYS 22 2HB CYS 22 -5.344 -3.006 3.043
196 HB3 CYS 22 3HB CYS 22 -4.047 -4.149 2.702
197 H ASP 23 H ASP 23 -3.833 -4.470 -0.395
198 HA ASP 23 HA ASP 23 -6.644 -4.983 -1.004
199 HB2 ASP 23 2HB ASP 23 -6.190 -3.309 -2.693
200 HB3 ASP 23 3HB ASP 23 -4.644 -4.046 -3.097
201 H GLU 24 H GLU 24 -7.000 -6.987 -1.857
202 HA GLU 24 HA GLU 24 -4.808 -8.922 -2.071
203 HB2 GLU 24 2HB GLU 24 -6.006 -10.426 -0.444
204 HB3 GLU 24 3HB GLU 24 -5.350 -8.963 0.284
205 HG2 GLU 24 2HG GLU 24 -7.628 -7.929 0.138
206 HG3 GLU 24 3HG GLU 24 -8.263 -9.483 -0.409
207 H SER 25 H SER 25 -7.681 -7.650 -3.218
208 HA SER 25 HA SER 25 -8.828 -10.021 -4.387
209 HB2 SER 25 2HB SER 25 -9.257 -7.095 -5.126
210 HB3 SER 25 3HB SER 25 -10.303 -8.450 -5.564
211 HG SER 25 HG SER 25 -10.956 -7.151 -3.695
212 H ASN 26 H ASN 26 -6.840 -7.295 -5.480
213 HA ASN 26 HA ASN 26 -6.165 -8.655 -8.026
214 HB2 ASN 26 2HB ASN 26 -5.538 -5.763 -7.304
215 HB3 ASN 26 3HB ASN 26 -5.550 -6.499 -8.908
216 HD21 ASN 26 1HD2 ASN 26 -7.519 -5.337 -6.256
217 HD22 ASN 26 2HD2 ASN 26 -8.984 -5.184 -7.162
218 H HIS 27 H HIS 27 -4.957 -7.883 -4.952
219 HA HIS 27 HA HIS 27 -3.016 -8.065 -3.834
220 HB2 HIS 27 2HB HIS 27 -2.080 -9.550 -6.330
221 HB3 HIS 27 3HB HIS 27 -1.035 -9.301 -4.934
222 HD1 HIS 27 HD1 HIS 27 -0.919 -11.370 -3.600
223 HD2 HIS 27 HD2 HIS 27 -4.711 -10.817 -5.227
224 HE1 HIS 27 HE1 HIS 27 -2.292 -13.315 -2.797
225 HE2 HIS 27 HE2 HIS 27 -4.534 -13.044 -3.922
226 H CYS 28 H CYS 28 -3.695 -5.758 -5.483
227 HA CYS 28 HA CYS 28 -1.031 -4.577 -6.025
228 HB2 CYS 28 2HB CYS 28 -3.668 -3.815 -7.338
229 HB3 CYS 28 3HB CYS 28 -2.067 -3.203 -7.752
230 H VAL 29 H VAL 29 -0.530 -3.177 -4.442
231 HA VAL 29 HA VAL 29 -2.578 -1.924 -2.777
232 HB VAL 29 HB VAL 29 0.471 -2.020 -2.587
233 HG11 VAL 29 1HG1 VAL 29 0.242 -1.073 -0.307
234 HG12 VAL 29 2HG1 VAL 29 -1.491 -0.853 -0.569
235 HG13 VAL 29 3HG1 VAL 29 -0.330 0.060 -1.535
236 HG21 VAL 29 1HG2 VAL 29 -0.626 -4.197 -2.177
237 HG22 VAL 29 2HG2 VAL 29 -1.670 -3.462 -0.958
238 HG23 VAL 29 3HG2 VAL 29 0.070 -3.565 -0.682
239 H GLU 30 H GLU 30 -3.382 -0.039 -3.396
240 HA GLU 30 HA GLU 30 -1.971 1.682 -5.311
241 HB2 GLU 30 2HB GLU 30 -4.230 1.084 -5.933
242 HB3 GLU 30 3HB GLU 30 -4.865 1.594 -4.373
243 HG2 GLU 30 2HG GLU 30 -4.419 3.928 -4.895
244 HG3 GLU 30 3HG GLU 30 -3.602 3.469 -6.391
245 H VAL 31 H VAL 31 -0.724 3.191 -4.452
246 HA VAL 31 HA VAL 31 -1.469 4.514 -1.927
247 HB VAL 31 HB VAL 31 1.174 4.688 -3.431
248 HG11 VAL 31 1HG1 VAL 31 2.072 5.498 -1.263
249 HG12 VAL 31 2HG1 VAL 31 0.448 5.439 -0.573
250 HG13 VAL 31 3HG1 VAL 31 0.807 6.556 -1.891
251 HG21 VAL 31 1HG2 VAL 31 2.093 3.048 -1.825
252 HG22 VAL 31 2HG2 VAL 31 0.798 2.337 -2.787
253 HG23 VAL 31 3HG2 VAL 31 0.489 2.822 -1.117
254 H ARG 32 H ARG 32 -2.783 6.173 -2.359
255 HA ARG 32 HA ARG 32 -2.140 8.130 -4.479
256 HB2 ARG 32 2HB ARG 32 -4.469 7.245 -4.445
257 HB3 ARG 32 3HB ARG 32 -4.676 7.800 -2.791
258 HG2 ARG 32 2HG ARG 32 -4.421 10.132 -3.520
259 HG3 ARG 32 3HG ARG 32 -4.139 9.596 -5.169
260 HD2 ARG 32 2HD ARG 32 -6.426 10.412 -4.938
261 HD3 ARG 32 3HD ARG 32 -6.440 8.673 -5.247
262 HE ARG 32 HE ARG 32 -6.480 8.945 -2.498
263 HH11 ARG 32 1HH1 ARG 32 -8.601 9.964 -5.111
264 HH12 ARG 32 2HH1 ARG 32 -10.024 9.904 -4.125
265 HH21 ARG 32 1HH2 ARG 32 -8.375 8.826 -1.250
266 HH22 ARG 32 2HH2 ARG 32 -9.902 9.266 -1.960
267 H CYS 33 H CYS 33 -0.424 9.229 -3.446
268 HA CYS 33 HA CYS 33 -0.443 9.760 -0.659
269 HB2 CYS 33 2HB CYS 33 1.630 9.518 -2.135
270 HB3 CYS 33 3HB CYS 33 1.372 11.195 -2.606
271 H SER 34 H SER 34 -0.824 11.944 -3.436
272 HA SER 34 HA SER 34 -2.952 13.461 -2.421
273 HB2 SER 34 2HB SER 34 -1.246 14.382 -0.821
274 HB3 SER 34 3HB SER 34 -0.244 14.873 -2.185
275 HG SER 34 HG SER 34 -1.461 16.615 -1.472
276 H ASP 35 H ASP 35 0.105 13.953 -4.113
277 HA ASP 35 HA ASP 35 -1.294 14.485 -6.673
278 HB2 ASP 35 2HB ASP 35 0.676 15.918 -7.284
279 HB3 ASP 35 3HB ASP 35 -0.225 16.547 -5.911
280 H THR 36 H THR 36 1.315 12.910 -4.947
281 HA THR 36 HA THR 36 2.428 11.564 -7.279
282 HB THR 36 HB THR 36 3.082 11.102 -4.336
283 HG1 THR 36 HG1 THR 36 3.472 13.317 -5.788
284 HG21 THR 36 1HG2 THR 36 3.979 9.389 -5.892
285 HG22 THR 36 2HG2 THR 36 5.275 10.346 -5.171
286 HG23 THR 36 3HG2 THR 36 4.763 10.656 -6.833
287 H LYS 37 H LYS 37 1.251 9.896 -8.069
288 HA LYS 37 HA LYS 37 -0.237 8.126 -6.217
289 HB2 LYS 37 2HB LYS 37 -1.661 9.792 -7.533
290 HB3 LYS 37 3HB LYS 37 -1.150 8.976 -9.002
291 HG2 LYS 37 2HG LYS 37 -2.580 7.539 -6.747
292 HG3 LYS 37 3HG LYS 37 -3.450 8.361 -8.043
293 HD2 LYS 37 2HD LYS 37 -2.504 6.858 -9.715
294 HD3 LYS 37 3HD LYS 37 -1.423 6.135 -8.524
295 HE2 LYS 37 2HE LYS 37 -3.407 5.304 -7.287
296 HE3 LYS 37 3HE LYS 37 -4.433 5.938 -8.576
297 HZ1 LYS 37 1HZ LYS 37 -3.286 4.465 -10.126
298 HZ2 LYS 37 2HZ LYS 37 -4.025 3.600 -8.876
299 HZ3 LYS 37 3HZ LYS 37 -2.350 3.845 -8.860
300 H TYR 38 H TYR 38 0.729 6.222 -6.244
301 HA TYR 38 HA TYR 38 1.529 4.918 -8.759
302 HB2 TYR 38 2HB TYR 38 3.577 3.988 -7.475
303 HB3 TYR 38 3HB TYR 38 3.666 5.660 -7.993
304 HD1 TYR 38 HD1 TYR 38 3.591 3.440 -5.068
305 HD2 TYR 38 HD2 TYR 38 3.426 7.510 -6.343
306 HE1 TYR 38 HE1 TYR 38 4.071 4.171 -2.784
307 HE2 TYR 38 HE2 TYR 38 3.919 8.248 -4.071
308 HH TYR 38 HH TYR 38 3.727 7.428 -1.799
309 H THR 39 H THR 39 1.441 2.614 -8.648
310 HA THR 39 HA THR 39 0.100 1.442 -6.285
311 HB THR 39 HB THR 39 -0.652 0.962 -9.204
312 HG1 THR 39 HG1 THR 39 -2.764 1.702 -7.946
313 HG21 THR 39 1HG2 THR 39 -1.793 -0.304 -6.677
314 HG22 THR 39 2HG2 THR 39 -0.854 -1.137 -7.916
315 HG23 THR 39 3HG2 THR 39 -2.455 -0.503 -8.301
316 H LEU 40 H LEU 40 1.702 0.205 -5.513
317 HA LEU 40 HA LEU 40 3.498 -1.307 -7.239
318 HB2 LEU 40 2HB LEU 40 3.298 -0.871 -4.246
319 HB3 LEU 40 3HB LEU 40 4.243 -2.223 -4.858
320 HG LEU 40 HG LEU 40 5.616 -0.586 -6.191
321 HD11 LEU 40 1HD1 LEU 40 5.542 1.798 -5.640
322 HD12 LEU 40 2HD1 LEU 40 4.121 1.525 -4.628
323 HD13 LEU 40 3HD1 LEU 40 4.033 1.245 -6.368
324 HD21 LEU 40 1HD2 LEU 40 6.485 -1.417 -4.073
325 HD22 LEU 40 2HD2 LEU 40 5.626 -0.159 -3.187
326 HD23 LEU 40 3HD2 LEU 40 6.938 0.273 -4.286
327 H CYS 41 H CYS 41 3.161 -3.347 -7.862
328 HA CYS 41 HA CYS 41 1.329 -5.118 -6.422
329 HB2 CYS 41 2HB CYS 41 -0.031 -3.822 -8.133
330 HB3 CYS 41 3HB CYS 41 0.943 -4.561 -9.400
Start of MODEL 6
1 H1 SER 1 1H SER 1 -0.588 -16.644 -0.163
2 H2 SER 1 2H SER 1 0.502 -15.731 0.748
3 H3 SER 1 3H SER 1 -0.213 -15.066 -0.628
4 HA SER 1 HA SER 1 -2.370 -15.173 0.375
5 HB2 SER 1 2HB SER 1 -1.873 -17.143 1.840
6 HB3 SER 1 3HB SER 1 -0.876 -16.110 2.866
7 HG SER 1 HG SER 1 -3.216 -16.516 3.424
8 H GLN 2 H GLN 2 0.547 -14.312 2.297
9 HA GLN 2 HA GLN 2 -0.594 -11.639 2.859
10 HB2 GLN 2 2HB GLN 2 0.022 -13.246 4.755
11 HB3 GLN 2 3HB GLN 2 1.704 -13.077 4.274
12 HG2 GLN 2 2HG GLN 2 1.626 -10.677 4.823
13 HG3 GLN 2 3HG GLN 2 -0.076 -10.821 5.254
14 HE21 GLN 2 1HE2 GLN 2 3.198 -11.605 6.222
15 HE22 GLN 2 2HE2 GLN 2 2.822 -12.027 7.852
16 H GLU 3 H GLU 3 0.792 -12.460 0.315
17 HA GLU 3 HA GLU 3 3.357 -11.337 0.018
18 HB2 GLU 3 2HB GLU 3 2.404 -12.736 -1.733
19 HB3 GLU 3 3HB GLU 3 1.034 -11.648 -1.939
20 HG2 GLU 3 2HG GLU 3 2.839 -9.894 -2.667
21 HG3 GLU 3 3HG GLU 3 3.898 -11.288 -2.854
22 H THR 4 H THR 4 0.314 -9.952 -1.021
23 HA THR 4 HA THR 4 1.318 -7.285 -1.299
24 HB THR 4 HB THR 4 -0.183 -8.067 -2.965
25 HG1 THR 4 HG1 THR 4 -0.896 -6.098 -2.968
26 HG21 THR 4 1HG2 THR 4 -2.243 -8.613 -0.800
27 HG22 THR 4 2HG2 THR 4 -1.336 -9.835 -1.697
28 HG23 THR 4 3HG2 THR 4 -2.486 -8.799 -2.543
29 H ARG 5 H ARG 5 -0.473 -9.037 1.138
30 HA ARG 5 HA ARG 5 -1.475 -6.818 2.620
31 HB2 ARG 5 2HB ARG 5 -0.762 -9.601 3.636
32 HB3 ARG 5 3HB ARG 5 -1.728 -8.404 4.495
33 HG2 ARG 5 2HG ARG 5 -3.478 -8.569 2.739
34 HG3 ARG 5 3HG ARG 5 -2.511 -9.797 1.908
35 HD2 ARG 5 2HD ARG 5 -2.598 -11.177 4.017
36 HD3 ARG 5 3HD ARG 5 -3.726 -9.996 4.686
37 HE ARG 5 HE ARG 5 -5.122 -10.638 2.597
38 HH11 ARG 5 1HH1 ARG 5 -3.132 -12.841 4.489
39 HH12 ARG 5 2HH1 ARG 5 -4.106 -14.226 4.127
40 HH21 ARG 5 1HH2 ARG 5 -6.425 -12.465 2.180
41 HH22 ARG 5 2HH2 ARG 5 -5.973 -14.008 2.819
42 H LYS 6 H LYS 6 1.576 -8.691 2.828
43 HA LYS 6 HA LYS 6 2.834 -7.233 4.902
44 HB2 LYS 6 2HB LYS 6 3.906 -9.278 4.338
45 HB3 LYS 6 3HB LYS 6 3.862 -8.949 2.615
46 HG2 LYS 6 2HG LYS 6 5.585 -7.196 4.355
47 HG3 LYS 6 3HG LYS 6 6.148 -8.832 4.017
48 HD2 LYS 6 2HD LYS 6 6.246 -8.402 1.647
49 HD3 LYS 6 3HD LYS 6 5.332 -6.908 1.802
50 HE2 LYS 6 2HE LYS 6 7.676 -6.428 1.366
51 HE3 LYS 6 3HE LYS 6 7.240 -5.871 2.981
52 HZ1 LYS 6 1HZ LYS 6 8.314 -7.787 3.929
53 HZ2 LYS 6 2HZ LYS 6 9.397 -7.020 2.885
54 HZ3 LYS 6 3HZ LYS 6 8.623 -8.436 2.400
55 H LYS 7 H LYS 7 2.612 -6.802 1.423
56 HA LYS 7 HA LYS 7 4.466 -4.678 1.152
57 HB2 LYS 7 2HB LYS 7 3.523 -6.351 -0.607
58 HB3 LYS 7 3HB LYS 7 2.169 -5.237 -0.757
59 HG2 LYS 7 2HG LYS 7 3.610 -3.487 -1.574
60 HG3 LYS 7 3HG LYS 7 5.057 -4.427 -1.181
61 HD2 LYS 7 2HD LYS 7 4.069 -6.215 -2.825
62 HD3 LYS 7 3HD LYS 7 3.041 -4.901 -3.395
63 HE2 LYS 7 2HE LYS 7 5.023 -3.612 -4.033
64 HE3 LYS 7 3HE LYS 7 6.074 -4.872 -3.384
65 HZ1 LYS 7 1HZ LYS 7 5.844 -5.024 -5.796
66 HZ2 LYS 7 2HZ LYS 7 4.176 -5.235 -5.647
67 HZ3 LYS 7 3HZ LYS 7 5.232 -6.400 -5.037
68 H CYS 8 H CYS 8 1.033 -4.835 1.834
69 HA CYS 8 HA CYS 8 0.305 -2.126 1.728
70 HB2 CYS 8 2HB CYS 8 -1.527 -3.555 2.012
71 HB3 CYS 8 3HB CYS 8 -0.706 -4.550 3.204
72 H THR 9 H THR 9 1.555 -4.110 4.428
73 HA THR 9 HA THR 9 1.610 -2.144 6.432
74 HB THR 9 HB THR 9 3.402 -4.606 6.133
75 HG1 THR 9 HG1 THR 9 0.923 -4.737 6.237
76 HG21 THR 9 1HG2 THR 9 2.679 -3.027 8.632
77 HG22 THR 9 2HG2 THR 9 4.270 -3.065 7.862
78 HG23 THR 9 3HG2 THR 9 3.601 -4.525 8.598
79 H GLU 10 H GLU 10 4.071 -3.182 4.093
80 HA GLU 10 HA GLU 10 6.248 -1.650 4.984
81 HB2 GLU 10 2HB GLU 10 6.576 -3.547 3.471
82 HB3 GLU 10 3HB GLU 10 5.591 -2.781 2.229
83 HG2 GLU 10 2HG GLU 10 7.994 -2.655 1.694
84 HG3 GLU 10 3HG GLU 10 7.278 -1.054 1.883
85 H MET 11 H MET 11 3.849 -1.035 2.399
86 HA MET 11 HA MET 11 4.829 1.516 1.680
87 HB2 MET 11 2HB MET 11 2.081 0.293 1.264
88 HB3 MET 11 3HB MET 11 2.586 1.823 0.566
89 HG2 MET 11 2HG MET 11 3.778 -0.891 -0.051
90 HG3 MET 11 3HG MET 11 2.669 0.014 -1.069
91 HE1 MET 11 1HE MET 11 6.264 0.243 0.658
92 HE2 MET 11 2HE MET 11 7.196 0.519 -0.811
93 HE3 MET 11 3HE MET 11 6.252 -0.961 -0.635
94 H LYS 12 H LYS 12 2.595 0.502 4.253
95 HA LYS 12 HA LYS 12 1.531 3.121 4.753
96 HB2 LYS 12 2HB LYS 12 1.470 0.557 6.379
97 HB3 LYS 12 3HB LYS 12 0.851 2.071 7.034
98 HG2 LYS 12 2HG LYS 12 -0.639 2.193 4.955
99 HG3 LYS 12 3HG LYS 12 -0.181 0.517 4.652
100 HD2 LYS 12 2HD LYS 12 -1.164 -0.194 6.762
101 HD3 LYS 12 3HD LYS 12 -1.451 1.480 7.247
102 HE2 LYS 12 2HE LYS 12 -3.076 1.748 5.436
103 HE3 LYS 12 3HE LYS 12 -2.755 0.108 4.880
104 HZ1 LYS 12 1HZ LYS 12 -3.612 -0.740 6.961
105 HZ2 LYS 12 2HZ LYS 12 -4.767 0.226 6.199
106 HZ3 LYS 12 3HZ LYS 12 -3.904 0.828 7.520
107 H LYS 13 H LYS 13 4.050 1.149 6.388
108 HA LYS 13 HA LYS 13 4.628 3.141 8.346
109 HB2 LYS 13 2HB LYS 13 6.517 1.734 9.012
110 HB3 LYS 13 3HB LYS 13 5.059 0.777 8.798
111 HG2 LYS 13 2HG LYS 13 5.908 0.016 6.586
112 HG3 LYS 13 3HG LYS 13 7.392 0.933 6.864
113 HD2 LYS 13 2HD LYS 13 7.872 -0.440 8.863
114 HD3 LYS 13 3HD LYS 13 6.383 -1.354 8.607
115 HE2 LYS 13 2HE LYS 13 8.270 -2.650 7.797
116 HE3 LYS 13 3HE LYS 13 7.295 -2.138 6.421
117 HZ1 LYS 13 1HZ LYS 13 9.790 -0.793 7.314
118 HZ2 LYS 13 2HZ LYS 13 8.884 -0.415 5.938
119 HZ3 LYS 13 3HZ LYS 13 9.684 -1.896 6.040
120 H LYS 14 H LYS 14 5.700 2.665 5.101
121 HA LYS 14 HA LYS 14 8.012 4.441 5.293
122 HB2 LYS 14 2HB LYS 14 7.608 2.258 3.758
123 HB3 LYS 14 3HB LYS 14 6.916 3.430 2.651
124 HG2 LYS 14 2HG LYS 14 9.734 3.511 3.771
125 HG3 LYS 14 3HG LYS 14 9.295 2.896 2.179
126 HD2 LYS 14 2HD LYS 14 8.495 5.157 1.545
127 HD3 LYS 14 3HD LYS 14 8.960 5.766 3.136
128 HE2 LYS 14 2HE LYS 14 10.671 6.331 1.484
129 HE3 LYS 14 3HE LYS 14 11.322 5.180 2.650
130 HZ1 LYS 14 1HZ LYS 14 10.324 4.521 -0.067
131 HZ2 LYS 14 2HZ LYS 14 10.945 3.409 1.039
132 HZ3 LYS 14 3HZ LYS 14 11.944 4.604 0.395
133 H PHE 15 H PHE 15 4.870 4.360 3.612
134 HA PHE 15 HA PHE 15 5.025 7.260 3.012
135 HB2 PHE 15 2HB PHE 15 3.262 5.156 1.679
136 HB3 PHE 15 3HB PHE 15 3.451 6.823 1.174
137 HD1 PHE 15 HD1 PHE 15 4.399 3.562 0.398
138 HD2 PHE 15 HD2 PHE 15 6.084 7.490 0.728
139 HE1 PHE 15 HE1 PHE 15 6.236 2.900 -1.088
140 HE2 PHE 15 HE2 PHE 15 7.921 6.811 -0.765
141 HZ PHE 15 HZ PHE 15 8.002 4.520 -1.670
142 H LYS 16 H LYS 16 4.406 6.908 5.516
143 HA LYS 16 HA LYS 16 1.720 6.375 6.238
144 HB2 LYS 16 2HB LYS 16 2.332 7.441 8.414
145 HB3 LYS 16 3HB LYS 16 3.494 6.235 7.878
146 HG2 LYS 16 2HG LYS 16 4.978 8.076 7.054
147 HG3 LYS 16 3HG LYS 16 3.833 9.251 7.712
148 HD2 LYS 16 2HD LYS 16 5.694 8.937 9.271
149 HD3 LYS 16 3HD LYS 16 4.206 8.321 9.990
150 HE2 LYS 16 2HE LYS 16 4.895 6.013 9.424
151 HE3 LYS 16 3HE LYS 16 6.367 6.632 8.677
152 HZ1 LYS 16 1HZ LYS 16 6.834 5.854 10.885
153 HZ2 LYS 16 2HZ LYS 16 5.631 6.831 11.549
154 HZ3 LYS 16 3HZ LYS 16 7.003 7.534 10.862
155 H ASN 17 H ASN 17 3.254 9.214 4.968
156 HA ASN 17 HA ASN 17 1.146 11.083 5.667
157 HB2 ASN 17 2HB ASN 17 3.502 11.370 3.750
158 HB3 ASN 17 3HB ASN 17 2.474 12.688 4.305
159 HD21 ASN 17 1HD2 ASN 17 2.321 11.923 7.089
160 HD22 ASN 17 2HD2 ASN 17 3.897 12.117 7.767
161 H CYS 18 H CYS 18 1.873 8.913 3.085
162 HA CYS 18 HA CYS 18 -0.050 10.069 1.198
163 HB2 CYS 18 2HB CYS 18 1.741 7.619 0.907
164 HB3 CYS 18 3HB CYS 18 0.850 8.421 -0.377
165 H GLU 19 H GLU 19 -1.854 8.782 0.383
166 HA GLU 19 HA GLU 19 -3.155 7.195 2.446
167 HB2 GLU 19 2HB GLU 19 -4.382 8.960 1.131
168 HB3 GLU 19 3HB GLU 19 -4.177 7.987 -0.311
169 HG2 GLU 19 2HG GLU 19 -5.599 6.231 0.581
170 HG3 GLU 19 3HG GLU 19 -5.709 7.052 2.142
171 H VAL 20 H VAL 20 -1.976 5.316 2.492
172 HA VAL 20 HA VAL 20 -1.474 3.685 0.146
173 HB VAL 20 HB VAL 20 -1.009 3.191 3.125
174 HG11 VAL 20 1HG1 VAL 20 0.442 1.299 2.429
175 HG12 VAL 20 2HG1 VAL 20 -0.059 1.541 0.754
176 HG13 VAL 20 3HG1 VAL 20 -1.240 1.032 1.962
177 HG21 VAL 20 1HG2 VAL 20 0.311 5.046 2.172
178 HG22 VAL 20 2HG2 VAL 20 0.946 3.952 0.938
179 HG23 VAL 20 3HG2 VAL 20 1.331 3.684 2.638
180 H ARG 21 H ARG 21 -3.164 2.613 -0.690
181 HA ARG 21 HA ARG 21 -5.377 1.632 0.983
182 HB2 ARG 21 2HB ARG 21 -5.228 2.124 -2.028
183 HB3 ARG 21 3HB ARG 21 -6.631 1.446 -1.196
184 HG2 ARG 21 2HG ARG 21 -6.824 3.518 0.145
185 HG3 ARG 21 3HG ARG 21 -5.451 4.207 -0.726
186 HD2 ARG 21 2HD ARG 21 -6.697 4.266 -2.787
187 HD3 ARG 21 3HD ARG 21 -8.009 3.302 -2.096
188 HE ARG 21 HE ARG 21 -7.354 6.096 -1.400
189 HH11 ARG 21 1HH1 ARG 21 -9.712 3.480 -1.476
190 HH12 ARG 21 2HH1 ARG 21 -11.019 4.481 -0.926
191 HH21 ARG 21 1HH2 ARG 21 -9.050 7.377 -0.611
192 HH22 ARG 21 2HH2 ARG 21 -10.639 6.697 -0.436
193 H CYS 22 H CYS 22 -4.959 -0.321 1.663
194 HA CYS 22 HA CYS 22 -3.274 -2.214 0.328
195 HB2 CYS 22 2HB CYS 22 -5.033 -2.576 2.779
196 HB3 CYS 22 3HB CYS 22 -3.620 -3.531 2.328
197 H ASP 23 H ASP 23 -3.956 -4.454 -0.056
198 HA ASP 23 HA ASP 23 -6.665 -5.173 -0.605
199 HB2 ASP 23 2HB ASP 23 -6.568 -3.678 -2.497
200 HB3 ASP 23 3HB ASP 23 -4.924 -4.159 -2.892
201 H GLU 24 H GLU 24 -6.772 -7.331 -1.546
202 HA GLU 24 HA GLU 24 -4.255 -8.864 -1.672
203 HB2 GLU 24 2HB GLU 24 -5.325 -10.726 -0.445
204 HB3 GLU 24 3HB GLU 24 -5.199 -9.271 0.540
205 HG2 GLU 24 2HG GLU 24 -7.581 -8.767 0.116
206 HG3 GLU 24 3HG GLU 24 -7.714 -10.221 -0.875
207 H SER 25 H SER 25 -7.377 -8.171 -2.898
208 HA SER 25 HA SER 25 -7.941 -10.687 -4.148
209 HB2 SER 25 2HB SER 25 -9.244 -7.975 -4.644
210 HB3 SER 25 3HB SER 25 -9.935 -9.572 -4.985
211 HG SER 25 HG SER 25 -10.677 -8.654 -3.011
212 H ASN 26 H ASN 26 -6.964 -7.490 -5.339
213 HA ASN 26 HA ASN 26 -6.401 -8.446 -8.058
214 HB2 ASN 26 2HB ASN 26 -5.966 -5.646 -6.892
215 HB3 ASN 26 3HB ASN 26 -5.994 -6.094 -8.596
216 HD21 ASN 26 1HD2 ASN 26 -7.943 -5.545 -5.743
217 HD22 ASN 26 2HD2 ASN 26 -9.456 -5.441 -6.570
218 H HIS 27 H HIS 27 -4.846 -8.093 -5.060
219 HA HIS 27 HA HIS 27 -2.780 -8.387 -4.250
220 HB2 HIS 27 2HB HIS 27 -2.013 -9.236 -7.081
221 HB3 HIS 27 3HB HIS 27 -0.930 -9.334 -5.699
222 HD1 HIS 27 HD1 HIS 27 -0.929 -11.494 -4.501
223 HD2 HIS 27 HD2 HIS 27 -4.453 -10.923 -6.640
224 HE1 HIS 27 HE1 HIS 27 -2.244 -13.615 -4.238
225 HE2 HIS 27 HE2 HIS 27 -4.413 -13.187 -5.425
226 H CYS 28 H CYS 28 -3.701 -5.815 -5.213
227 HA CYS 28 HA CYS 28 -1.184 -4.452 -5.957
228 HB2 CYS 28 2HB CYS 28 -3.955 -4.121 -7.146
229 HB3 CYS 28 3HB CYS 28 -2.680 -2.931 -7.371
230 H VAL 29 H VAL 29 -0.626 -3.093 -4.400
231 HA VAL 29 HA VAL 29 -2.583 -1.779 -2.644
232 HB VAL 29 HB VAL 29 0.485 -1.785 -2.604
233 HG11 VAL 29 1HG1 VAL 29 -1.420 -0.613 -0.536
234 HG12 VAL 29 2HG1 VAL 29 -0.354 0.307 -1.603
235 HG13 VAL 29 3HG1 VAL 29 0.335 -0.742 -0.364
236 HG21 VAL 29 1HG2 VAL 29 -0.485 -3.980 -2.036
237 HG22 VAL 29 2HG2 VAL 29 -1.491 -3.226 -0.795
238 HG23 VAL 29 3HG2 VAL 29 0.266 -3.240 -0.618
239 H GLU 30 H GLU 30 -3.461 0.082 -3.413
240 HA GLU 30 HA GLU 30 -2.043 1.803 -5.320
241 HB2 GLU 30 2HB GLU 30 -4.420 1.290 -5.776
242 HB3 GLU 30 3HB GLU 30 -4.884 1.960 -4.215
243 HG2 GLU 30 2HG GLU 30 -3.887 4.179 -5.020
244 HG3 GLU 30 3HG GLU 30 -3.787 3.451 -6.614
245 H VAL 31 H VAL 31 -0.669 3.252 -4.383
246 HA VAL 31 HA VAL 31 -1.372 4.532 -1.824
247 HB VAL 31 HB VAL 31 1.257 4.687 -3.356
248 HG11 VAL 31 1HG1 VAL 31 0.572 5.407 -0.486
249 HG12 VAL 31 2HG1 VAL 31 0.932 6.540 -1.795
250 HG13 VAL 31 3HG1 VAL 31 2.190 5.459 -1.196
251 HG21 VAL 31 1HG2 VAL 31 0.807 2.349 -2.735
252 HG22 VAL 31 2HG2 VAL 31 0.545 2.832 -1.055
253 HG23 VAL 31 3HG2 VAL 31 2.145 3.006 -1.785
254 H ARG 32 H ARG 32 -2.606 6.242 -2.159
255 HA ARG 32 HA ARG 32 -2.250 8.111 -4.413
256 HB2 ARG 32 2HB ARG 32 -4.488 7.083 -4.063
257 HB3 ARG 32 3HB ARG 32 -4.523 7.693 -2.414
258 HG2 ARG 32 2HG ARG 32 -4.508 10.032 -3.336
259 HG3 ARG 32 3HG ARG 32 -4.599 9.345 -4.950
260 HD2 ARG 32 2HD ARG 32 -6.671 9.214 -2.754
261 HD3 ARG 32 3HD ARG 32 -6.833 9.954 -4.348
262 HE ARG 32 HE ARG 32 -6.395 7.329 -4.931
263 HH11 ARG 32 1HH1 ARG 32 -8.686 8.889 -2.760
264 HH12 ARG 32 2HH1 ARG 32 -9.878 7.644 -2.943
265 HH21 ARG 32 1HH2 ARG 32 -7.971 5.691 -5.116
266 HH22 ARG 32 2HH2 ARG 32 -9.475 5.843 -4.269
267 H CYS 33 H CYS 33 -0.503 9.424 -3.593
268 HA CYS 33 HA CYS 33 -0.428 10.180 -0.818
269 HB2 CYS 33 2HB CYS 33 1.593 9.853 -2.461
270 HB3 CYS 33 3HB CYS 33 1.299 11.529 -2.885
271 H SER 34 H SER 34 -0.326 12.431 -3.622
272 HA SER 34 HA SER 34 -2.721 13.830 -2.797
273 HB2 SER 34 2HB SER 34 -0.023 15.269 -2.620
274 HB3 SER 34 3HB SER 34 -1.587 16.088 -2.566
275 HG SER 34 HG SER 34 -1.892 14.400 -0.733
276 H ASP 35 H ASP 35 0.277 14.353 -4.648
277 HA ASP 35 HA ASP 35 -1.263 15.035 -7.096
278 HB2 ASP 35 2HB ASP 35 1.650 15.599 -6.360
279 HB3 ASP 35 3HB ASP 35 0.919 16.020 -7.906
280 H THR 36 H THR 36 0.849 12.705 -5.675
281 HA THR 36 HA THR 36 1.299 11.311 -8.251
282 HB THR 36 HB THR 36 2.900 11.073 -5.656
283 HG1 THR 36 HG1 THR 36 2.930 12.947 -7.562
284 HG21 THR 36 1HG2 THR 36 4.566 9.878 -7.037
285 HG22 THR 36 2HG2 THR 36 3.514 10.015 -8.447
286 HG23 THR 36 3HG2 THR 36 3.018 9.025 -7.074
287 H LYS 37 H LYS 37 0.299 9.383 -8.493
288 HA LYS 37 HA LYS 37 -0.552 7.794 -6.147
289 HB2 LYS 37 2HB LYS 37 -2.555 8.860 -7.122
290 HB3 LYS 37 3HB LYS 37 -2.126 8.263 -8.723
291 HG2 LYS 37 2HG LYS 37 -2.389 5.910 -7.844
292 HG3 LYS 37 3HG LYS 37 -2.965 6.590 -6.319
293 HD2 LYS 37 2HD LYS 37 -4.278 6.948 -9.046
294 HD3 LYS 37 3HD LYS 37 -4.839 5.873 -7.763
295 HE2 LYS 37 2HE LYS 37 -5.256 7.820 -6.311
296 HE3 LYS 37 3HE LYS 37 -4.682 8.902 -7.585
297 HZ1 LYS 37 1HZ LYS 37 -7.056 7.129 -7.717
298 HZ2 LYS 37 2HZ LYS 37 -6.489 8.076 -8.995
299 HZ3 LYS 37 3HZ LYS 37 -7.065 8.816 -7.588
300 H TYR 38 H TYR 38 0.506 5.900 -6.221
301 HA TYR 38 HA TYR 38 1.224 4.633 -8.803
302 HB2 TYR 38 2HB TYR 38 3.444 3.965 -7.656
303 HB3 TYR 38 3HB TYR 38 3.294 5.634 -8.158
304 HD1 TYR 38 HD1 TYR 38 3.534 3.400 -5.247
305 HD2 TYR 38 HD2 TYR 38 3.106 7.452 -6.505
306 HE1 TYR 38 HE1 TYR 38 4.092 4.148 -2.981
307 HE2 TYR 38 HE2 TYR 38 3.686 8.219 -4.246
308 HH TYR 38 HH TYR 38 5.032 6.208 -1.923
309 H THR 39 H THR 39 1.235 2.367 -8.754
310 HA THR 39 HA THR 39 -0.042 1.142 -6.376
311 HB THR 39 HB THR 39 -0.598 0.527 -9.316
312 HG1 THR 39 HG1 THR 39 -2.354 1.705 -7.404
313 HG21 THR 39 1HG2 THR 39 -1.913 -0.566 -6.803
314 HG22 THR 39 2HG2 THR 39 -0.905 -1.479 -7.933
315 HG23 THR 39 3HG2 THR 39 -2.474 -0.847 -8.446
316 H LEU 40 H LEU 40 1.317 -0.217 -5.459
317 HA LEU 40 HA LEU 40 3.357 -1.689 -6.969
318 HB2 LEU 40 2HB LEU 40 3.023 -1.001 -4.037
319 HB3 LEU 40 3HB LEU 40 4.028 -2.360 -4.509
320 HG LEU 40 HG LEU 40 5.306 -0.661 -6.015
321 HD11 LEU 40 1HD1 LEU 40 3.685 1.158 -5.911
322 HD12 LEU 40 2HD1 LEU 40 5.252 1.669 -5.285
323 HD13 LEU 40 3HD1 LEU 40 3.934 1.300 -4.167
324 HD21 LEU 40 1HD2 LEU 40 6.757 0.029 -4.142
325 HD22 LEU 40 2HD2 LEU 40 6.308 -1.672 -4.042
326 HD23 LEU 40 3HD2 LEU 40 5.517 -0.490 -2.997
327 H CYS 41 H CYS 41 2.423 -3.396 -7.862
328 HA CYS 41 HA CYS 41 0.542 -5.095 -6.421
329 HB2 CYS 41 2HB CYS 41 1.565 -5.263 -9.278
330 HB3 CYS 41 3HB CYS 41 0.292 -6.268 -8.590
Start of MODEL 7
1 H1 SER 1 1H SER 1 -0.368 -16.154 -1.075
2 H2 SER 1 2H SER 1 0.194 -16.810 0.373
3 H3 SER 1 3H SER 1 0.861 -17.311 -1.093
4 HA SER 1 HA SER 1 2.331 -15.827 0.054
5 HB2 SER 1 2HB SER 1 2.320 -15.862 -2.434
6 HB3 SER 1 3HB SER 1 1.097 -14.592 -2.447
7 HG SER 1 HG SER 1 3.770 -14.452 -1.533
8 H GLN 2 H GLN 2 2.547 -14.143 1.460
9 HA GLN 2 HA GLN 2 0.258 -12.425 2.075
10 HB2 GLN 2 2HB GLN 2 1.623 -13.553 3.876
11 HB3 GLN 2 3HB GLN 2 3.001 -12.555 3.432
12 HG2 GLN 2 2HG GLN 2 1.649 -10.521 4.039
13 HG3 GLN 2 3HG GLN 2 0.346 -11.590 4.553
14 HE21 GLN 2 1HE2 GLN 2 0.448 -10.671 6.627
15 HE22 GLN 2 2HE2 GLN 2 1.710 -11.060 7.741
16 H GLU 3 H GLU 3 2.442 -12.250 -0.298
17 HA GLU 3 HA GLU 3 4.119 -10.094 -0.080
18 HB2 GLU 3 2HB GLU 3 4.250 -11.675 -1.935
19 HB3 GLU 3 3HB GLU 3 2.676 -11.180 -2.539
20 HG2 GLU 3 2HG GLU 3 4.540 -10.305 -3.916
21 HG3 GLU 3 3HG GLU 3 3.552 -9.019 -3.218
22 H THR 4 H THR 4 0.774 -10.016 -1.345
23 HA THR 4 HA THR 4 0.710 -7.263 -1.936
24 HB THR 4 HB THR 4 -0.861 -8.787 -3.019
25 HG1 THR 4 HG1 THR 4 -1.614 -6.691 -2.913
26 HG21 THR 4 1HG2 THR 4 -1.249 -10.366 -1.156
27 HG22 THR 4 2HG2 THR 4 -2.771 -9.797 -1.845
28 HG23 THR 4 3HG2 THR 4 -2.195 -9.141 -0.308
29 H ARG 5 H ARG 5 -0.168 -9.048 1.024
30 HA ARG 5 HA ARG 5 -1.574 -6.872 2.292
31 HB2 ARG 5 2HB ARG 5 -0.495 -9.447 3.521
32 HB3 ARG 5 3HB ARG 5 -1.616 -8.332 4.294
33 HG2 ARG 5 2HG ARG 5 -3.332 -8.877 2.614
34 HG3 ARG 5 3HG ARG 5 -2.213 -9.988 1.817
35 HD2 ARG 5 2HD ARG 5 -2.156 -11.420 3.788
36 HD3 ARG 5 3HD ARG 5 -3.111 -10.260 4.715
37 HE ARG 5 HE ARG 5 -4.638 -11.011 2.498
38 HH11 ARG 5 1HH1 ARG 5 -3.285 -12.544 5.380
39 HH12 ARG 5 2HH1 ARG 5 -4.542 -13.730 5.491
40 HH21 ARG 5 1HH2 ARG 5 -6.341 -12.568 2.727
41 HH22 ARG 5 2HH2 ARG 5 -6.258 -13.740 4.000
42 H LYS 6 H LYS 6 1.622 -8.390 2.748
43 HA LYS 6 HA LYS 6 2.361 -6.815 5.027
44 HB2 LYS 6 2HB LYS 6 4.440 -8.056 5.015
45 HB3 LYS 6 3HB LYS 6 3.156 -9.181 4.605
46 HG2 LYS 6 2HG LYS 6 4.704 -9.828 3.035
47 HG3 LYS 6 3HG LYS 6 3.882 -8.574 2.105
48 HD2 LYS 6 2HD LYS 6 5.755 -6.999 3.167
49 HD3 LYS 6 3HD LYS 6 6.615 -8.521 3.405
50 HE2 LYS 6 2HE LYS 6 5.592 -7.482 0.740
51 HE3 LYS 6 3HE LYS 6 7.254 -7.359 1.317
52 HZ1 LYS 6 1HZ LYS 6 6.901 -9.228 -0.235
53 HZ2 LYS 6 2HZ LYS 6 5.841 -9.940 0.873
54 HZ3 LYS 6 3HZ LYS 6 7.466 -9.731 1.274
55 H LYS 7 H LYS 7 2.812 -6.577 1.553
56 HA LYS 7 HA LYS 7 4.855 -4.563 1.557
57 HB2 LYS 7 2HB LYS 7 4.511 -6.016 -0.379
58 HB3 LYS 7 3HB LYS 7 2.880 -5.398 -0.598
59 HG2 LYS 7 2HG LYS 7 3.688 -3.261 -1.363
60 HG3 LYS 7 3HG LYS 7 5.339 -3.628 -0.848
61 HD2 LYS 7 2HD LYS 7 5.013 -3.833 -3.328
62 HD3 LYS 7 3HD LYS 7 5.568 -5.330 -2.571
63 HE2 LYS 7 2HE LYS 7 3.024 -5.961 -2.497
64 HE3 LYS 7 3HE LYS 7 2.836 -4.667 -3.686
65 HZ1 LYS 7 1HZ LYS 7 3.159 -6.826 -4.742
66 HZ2 LYS 7 2HZ LYS 7 4.653 -7.004 -3.962
67 HZ3 LYS 7 3HZ LYS 7 4.433 -5.773 -5.105
68 H CYS 8 H CYS 8 1.319 -4.552 1.663
69 HA CYS 8 HA CYS 8 0.917 -1.763 1.330
70 HB2 CYS 8 2HB CYS 8 -0.893 -3.524 1.245
71 HB3 CYS 8 3HB CYS 8 -0.796 -3.639 3.001
72 H THR 9 H THR 9 1.447 -3.823 4.191
73 HA THR 9 HA THR 9 1.427 -1.888 6.228
74 HB THR 9 HB THR 9 3.115 -4.441 6.085
75 HG1 THR 9 HG1 THR 9 1.227 -5.370 6.028
76 HG21 THR 9 1HG2 THR 9 2.014 -2.949 8.513
77 HG22 THR 9 2HG2 THR 9 3.709 -3.002 8.025
78 HG23 THR 9 3HG2 THR 9 2.900 -4.476 8.552
79 H GLU 10 H GLU 10 4.026 -3.061 4.147
80 HA GLU 10 HA GLU 10 6.244 -1.658 5.139
81 HB2 GLU 10 2HB GLU 10 6.471 -3.580 3.620
82 HB3 GLU 10 3HB GLU 10 5.622 -2.720 2.349
83 HG2 GLU 10 2HG GLU 10 8.014 -2.808 1.876
84 HG3 GLU 10 3HG GLU 10 7.490 -1.143 2.125
85 H MET 11 H MET 11 3.898 -0.862 2.585
86 HA MET 11 HA MET 11 5.119 1.609 1.838
87 HB2 MET 11 2HB MET 11 2.351 0.508 1.235
88 HB3 MET 11 3HB MET 11 2.983 1.997 0.555
89 HG2 MET 11 2HG MET 11 4.123 -0.763 0.074
90 HG3 MET 11 3HG MET 11 3.060 0.108 -1.017
91 HE1 MET 11 1HE MET 11 7.580 0.694 -0.546
92 HE2 MET 11 2HE MET 11 6.664 -0.787 -0.266
93 HE3 MET 11 3HE MET 11 6.564 0.545 0.888
94 H LYS 12 H LYS 12 2.764 0.719 4.297
95 HA LYS 12 HA LYS 12 1.709 3.364 4.726
96 HB2 LYS 12 2HB LYS 12 1.652 0.834 6.419
97 HB3 LYS 12 3HB LYS 12 0.919 2.344 6.966
98 HG2 LYS 12 2HG LYS 12 -0.587 2.354 5.063
99 HG3 LYS 12 3HG LYS 12 0.189 0.914 4.401
100 HD2 LYS 12 2HD LYS 12 -0.573 -0.395 6.361
101 HD3 LYS 12 3HD LYS 12 -1.354 1.047 7.021
102 HE2 LYS 12 2HE LYS 12 -2.834 1.152 5.058
103 HE3 LYS 12 3HE LYS 12 -2.030 -0.259 4.369
104 HZ1 LYS 12 1HZ LYS 12 -4.125 -0.816 5.462
105 HZ2 LYS 12 2HZ LYS 12 -3.528 -0.242 6.933
106 HZ3 LYS 12 3HZ LYS 12 -2.815 -1.585 6.200
107 H LYS 13 H LYS 13 4.179 1.410 6.414
108 HA LYS 13 HA LYS 13 4.788 3.423 8.360
109 HB2 LYS 13 2HB LYS 13 6.628 1.965 9.046
110 HB3 LYS 13 3HB LYS 13 5.167 1.016 8.783
111 HG2 LYS 13 2HG LYS 13 6.015 0.249 6.618
112 HG3 LYS 13 3HG LYS 13 7.467 1.239 6.814
113 HD2 LYS 13 2HD LYS 13 8.080 -0.115 8.830
114 HD3 LYS 13 3HD LYS 13 6.650 -1.120 8.569
115 HE2 LYS 13 2HE LYS 13 7.527 -1.848 6.417
116 HE3 LYS 13 3HE LYS 13 8.928 -0.788 6.603
117 HZ1 LYS 13 1HZ LYS 13 8.245 -3.080 8.364
118 HZ2 LYS 13 2HZ LYS 13 9.575 -2.058 8.554
119 HZ3 LYS 13 3HZ LYS 13 9.469 -3.055 7.197
120 H LYS 14 H LYS 14 5.793 2.838 5.134
121 HA LYS 14 HA LYS 14 8.174 4.514 5.197
122 HB2 LYS 14 2HB LYS 14 7.474 2.326 3.671
123 HB3 LYS 14 3HB LYS 14 6.998 3.605 2.569
124 HG2 LYS 14 2HG LYS 14 9.766 3.347 3.783
125 HG3 LYS 14 3HG LYS 14 9.312 2.664 2.219
126 HD2 LYS 14 2HD LYS 14 8.832 4.920 1.367
127 HD3 LYS 14 3HD LYS 14 9.213 5.616 2.944
128 HE2 LYS 14 2HE LYS 14 11.530 4.898 2.738
129 HE3 LYS 14 3HE LYS 14 11.178 4.080 1.210
130 HZ1 LYS 14 1HZ LYS 14 10.597 6.231 0.246
131 HZ2 LYS 14 2HZ LYS 14 12.183 6.235 0.823
132 HZ3 LYS 14 3HZ LYS 14 10.966 7.007 1.703
133 H PHE 15 H PHE 15 4.853 4.605 3.951
134 HA PHE 15 HA PHE 15 5.080 7.471 3.176
135 HB2 PHE 15 2HB PHE 15 3.312 5.321 1.918
136 HB3 PHE 15 3HB PHE 15 3.462 6.975 1.364
137 HD1 PHE 15 HD1 PHE 15 4.384 3.734 0.590
138 HD2 PHE 15 HD2 PHE 15 6.164 7.618 0.948
139 HE1 PHE 15 HE1 PHE 15 6.228 3.030 -0.874
140 HE2 PHE 15 HE2 PHE 15 8.000 6.887 -0.528
141 HZ PHE 15 HZ PHE 15 8.028 4.591 -1.440
142 H LYS 16 H LYS 16 4.498 7.719 5.467
143 HA LYS 16 HA LYS 16 2.096 6.672 6.577
144 HB2 LYS 16 2HB LYS 16 2.583 8.240 8.496
145 HB3 LYS 16 3HB LYS 16 3.874 7.122 8.082
146 HG2 LYS 16 2HG LYS 16 5.101 8.892 6.937
147 HG3 LYS 16 3HG LYS 16 3.794 10.035 7.237
148 HD2 LYS 16 2HD LYS 16 5.363 8.662 9.451
149 HD3 LYS 16 3HD LYS 16 5.811 10.224 8.766
150 HE2 LYS 16 2HE LYS 16 4.608 10.660 10.779
151 HE3 LYS 16 3HE LYS 16 3.535 11.082 9.447
152 HZ1 LYS 16 1HZ LYS 16 2.347 9.015 9.779
153 HZ2 LYS 16 2HZ LYS 16 2.406 9.872 11.229
154 HZ3 LYS 16 3HZ LYS 16 3.422 8.542 10.994
155 H ASN 17 H ASN 17 2.828 9.742 5.020
156 HA ASN 17 HA ASN 17 0.115 10.792 5.555
157 HB2 ASN 17 2HB ASN 17 2.572 12.114 4.311
158 HB3 ASN 17 3HB ASN 17 1.017 12.913 4.526
159 HD21 ASN 17 1HD2 ASN 17 3.876 11.767 6.151
160 HD22 ASN 17 2HD2 ASN 17 3.549 12.515 7.670
161 H CYS 18 H CYS 18 0.817 8.537 3.660
162 HA CYS 18 HA CYS 18 -0.570 9.586 1.263
163 HB2 CYS 18 2HB CYS 18 1.470 7.330 1.404
164 HB3 CYS 18 3HB CYS 18 0.562 7.794 -0.033
165 H GLU 19 H GLU 19 -2.231 8.341 0.421
166 HA GLU 19 HA GLU 19 -3.598 6.596 2.274
167 HB2 GLU 19 2HB GLU 19 -4.778 8.331 0.861
168 HB3 GLU 19 3HB GLU 19 -4.424 7.353 -0.555
169 HG2 GLU 19 2HG GLU 19 -5.751 5.491 0.340
170 HG3 GLU 19 3HG GLU 19 -6.068 6.394 1.824
171 H VAL 20 H VAL 20 -2.175 4.871 2.349
172 HA VAL 20 HA VAL 20 -1.428 3.318 -0.001
173 HB VAL 20 HB VAL 20 -0.924 2.912 2.992
174 HG11 VAL 20 1HG1 VAL 20 0.238 1.395 0.638
175 HG12 VAL 20 2HG1 VAL 20 -0.902 0.758 1.824
176 HG13 VAL 20 3HG1 VAL 20 0.727 1.208 2.325
177 HG21 VAL 20 1HG2 VAL 20 0.165 4.915 2.087
178 HG22 VAL 20 2HG2 VAL 20 0.941 3.939 0.836
179 HG23 VAL 20 3HG2 VAL 20 1.352 3.685 2.533
180 H ARG 21 H ARG 21 -2.912 1.910 -0.795
181 HA ARG 21 HA ARG 21 -5.256 1.083 0.786
182 HB2 ARG 21 2HB ARG 21 -4.751 1.082 -2.231
183 HB3 ARG 21 3HB ARG 21 -6.271 0.628 -1.460
184 HG2 ARG 21 2HG ARG 21 -6.632 2.896 -0.693
185 HG3 ARG 21 3HG ARG 21 -5.024 3.388 -1.227
186 HD2 ARG 21 2HD ARG 21 -5.651 3.077 -3.560
187 HD3 ARG 21 3HD ARG 21 -7.222 2.413 -3.091
188 HE ARG 21 HE ARG 21 -6.805 5.055 -2.061
189 HH11 ARG 21 1HH1 ARG 21 -7.730 3.314 -4.981
190 HH12 ARG 21 2HH1 ARG 21 -8.660 4.630 -5.618
191 HH21 ARG 21 1HH2 ARG 21 -8.094 6.760 -2.892
192 HH22 ARG 21 2HH2 ARG 21 -8.861 6.581 -4.422
193 H CYS 22 H CYS 22 -5.057 -0.903 1.684
194 HA CYS 22 HA CYS 22 -3.456 -3.065 0.534
195 HB2 CYS 22 2HB CYS 22 -5.343 -3.125 2.936
196 HB3 CYS 22 3HB CYS 22 -4.069 -4.282 2.566
197 H ASP 23 H ASP 23 -4.357 -4.908 -0.517
198 HA ASP 23 HA ASP 23 -7.034 -5.724 -0.320
199 HB2 ASP 23 2HB ASP 23 -7.285 -3.521 -1.717
200 HB3 ASP 23 3HB ASP 23 -6.610 -4.447 -3.055
201 H GLU 24 H GLU 24 -6.653 -7.812 -0.448
202 HA GLU 24 HA GLU 24 -4.590 -9.029 -2.045
203 HB2 GLU 24 2HB GLU 24 -5.385 -11.164 -1.136
204 HB3 GLU 24 3HB GLU 24 -5.264 -9.963 0.149
205 HG2 GLU 24 2HG GLU 24 -7.710 -9.596 0.018
206 HG3 GLU 24 3HG GLU 24 -7.817 -10.834 -1.231
207 H SER 25 H SER 25 -7.995 -8.413 -2.497
208 HA SER 25 HA SER 25 -8.468 -10.237 -4.644
209 HB2 SER 25 2HB SER 25 -9.983 -7.667 -4.005
210 HB3 SER 25 3HB SER 25 -10.571 -9.034 -4.956
211 HG SER 25 HG SER 25 -10.937 -8.718 -2.456
212 H ASN 26 H ASN 26 -7.345 -6.914 -4.475
213 HA ASN 26 HA ASN 26 -7.144 -6.470 -7.331
214 HB2 ASN 26 2HB ASN 26 -7.490 -4.603 -5.688
215 HB3 ASN 26 3HB ASN 26 -5.904 -4.922 -5.004
216 HD21 ASN 26 1HD2 ASN 26 -5.153 -2.846 -5.466
217 HD22 ASN 26 2HD2 ASN 26 -4.829 -2.286 -7.068
218 H HIS 27 H HIS 27 -5.204 -7.817 -4.762
219 HA HIS 27 HA HIS 27 -3.171 -8.799 -4.604
220 HB2 HIS 27 2HB HIS 27 -3.249 -8.955 -7.655
221 HB3 HIS 27 3HB HIS 27 -2.155 -9.855 -6.614
222 HD1 HIS 27 HD1 HIS 27 -3.015 -12.021 -5.601
223 HD2 HIS 27 HD2 HIS 27 -5.971 -9.880 -7.569
224 HE1 HIS 27 HE1 HIS 27 -5.008 -13.535 -5.677
225 HE2 HIS 27 HE2 HIS 27 -6.817 -12.156 -6.730
226 H CYS 28 H CYS 28 -3.429 -5.905 -4.827
227 HA CYS 28 HA CYS 28 -0.760 -5.070 -5.560
228 HB2 CYS 28 2HB CYS 28 -2.066 -5.288 -7.754
229 HB3 CYS 28 3HB CYS 28 -3.090 -3.973 -7.196
230 H VAL 29 H VAL 29 -0.214 -3.275 -4.479
231 HA VAL 29 HA VAL 29 -2.109 -2.027 -2.620
232 HB VAL 29 HB VAL 29 0.945 -1.842 -2.750
233 HG11 VAL 29 1HG1 VAL 29 0.814 -0.987 -0.435
234 HG12 VAL 29 2HG1 VAL 29 -0.949 -1.009 -0.527
235 HG13 VAL 29 3HG1 VAL 29 -0.024 0.066 -1.578
236 HG21 VAL 29 1HG2 VAL 29 0.255 -4.162 -2.356
237 HG22 VAL 29 2HG2 VAL 29 -0.745 -3.656 -0.991
238 HG23 VAL 29 3HG2 VAL 29 1.010 -3.480 -0.912
239 H GLU 30 H GLU 30 -3.018 -0.070 -3.311
240 HA GLU 30 HA GLU 30 -1.448 1.587 -5.197
241 HB2 GLU 30 2HB GLU 30 -3.723 1.043 -5.955
242 HB3 GLU 30 3HB GLU 30 -4.405 1.809 -4.519
243 HG2 GLU 30 2HG GLU 30 -3.604 3.985 -5.192
244 HG3 GLU 30 3HG GLU 30 -2.639 3.296 -6.500
245 H VAL 31 H VAL 31 -0.287 3.114 -4.305
246 HA VAL 31 HA VAL 31 -1.045 4.359 -1.748
247 HB VAL 31 HB VAL 31 1.587 4.563 -3.262
248 HG11 VAL 31 1HG1 VAL 31 1.250 6.410 -1.733
249 HG12 VAL 31 2HG1 VAL 31 2.510 5.345 -1.110
250 HG13 VAL 31 3HG1 VAL 31 0.888 5.302 -0.408
251 HG21 VAL 31 1HG2 VAL 31 2.508 2.906 -1.684
252 HG22 VAL 31 2HG2 VAL 31 1.216 2.225 -2.676
253 HG23 VAL 31 3HG2 VAL 31 0.897 2.667 -0.992
254 H ARG 32 H ARG 32 -2.217 6.131 -2.009
255 HA ARG 32 HA ARG 32 -1.806 7.953 -4.303
256 HB2 ARG 32 2HB ARG 32 -4.012 6.797 -4.208
257 HB3 ARG 32 3HB ARG 32 -4.292 7.457 -2.601
258 HG2 ARG 32 2HG ARG 32 -4.432 9.712 -3.493
259 HG3 ARG 32 3HG ARG 32 -3.943 9.149 -5.085
260 HD2 ARG 32 2HD ARG 32 -6.520 8.411 -3.663
261 HD3 ARG 32 3HD ARG 32 -6.356 9.560 -4.993
262 HE ARG 32 HE ARG 32 -5.532 6.770 -5.426
263 HH11 ARG 32 1HH1 ARG 32 -7.900 9.324 -6.135
264 HH12 ARG 32 2HH1 ARG 32 -8.577 8.451 -7.474
265 HH21 ARG 32 1HH2 ARG 32 -6.490 5.679 -7.171
266 HH22 ARG 32 2HH2 ARG 32 -7.777 6.408 -8.045
267 H CYS 33 H CYS 33 -0.169 9.188 -3.295
268 HA CYS 33 HA CYS 33 -0.389 10.341 -0.678
269 HB2 CYS 33 2HB CYS 33 1.437 11.063 -3.007
270 HB3 CYS 33 3HB CYS 33 1.634 11.645 -1.359
271 H SER 34 H SER 34 -0.043 12.171 -3.741
272 HA SER 34 HA SER 34 -2.518 13.495 -3.731
273 HB2 SER 34 2HB SER 34 -1.570 14.693 -1.723
274 HB3 SER 34 3HB SER 34 -0.227 15.263 -2.711
275 HG SER 34 HG SER 34 -1.674 16.474 -3.921
276 H ASP 35 H ASP 35 0.936 13.673 -4.517
277 HA ASP 35 HA ASP 35 0.403 15.028 -7.086
278 HB2 ASP 35 2HB ASP 35 3.003 14.646 -5.521
279 HB3 ASP 35 3HB ASP 35 2.893 15.473 -7.073
280 H THR 36 H THR 36 1.553 11.966 -5.803
281 HA THR 36 HA THR 36 3.105 11.398 -8.229
282 HB THR 36 HB THR 36 3.104 9.680 -5.715
283 HG1 THR 36 HG1 THR 36 4.854 11.873 -6.156
284 HG21 THR 36 1HG2 THR 36 5.270 10.256 -7.773
285 HG22 THR 36 2HG2 THR 36 4.307 8.778 -7.699
286 HG23 THR 36 3HG2 THR 36 5.419 9.177 -6.386
287 H LYS 37 H LYS 37 1.019 9.419 -6.068
288 HA LYS 37 HA LYS 37 -0.408 7.729 -6.341
289 HB2 LYS 37 2HB LYS 37 -1.450 9.673 -7.868
290 HB3 LYS 37 3HB LYS 37 -1.140 8.537 -9.163
291 HG2 LYS 37 2HG LYS 37 -2.626 7.437 -6.808
292 HG3 LYS 37 3HG LYS 37 -3.470 8.670 -7.733
293 HD2 LYS 37 2HD LYS 37 -4.183 6.585 -8.622
294 HD3 LYS 37 3HD LYS 37 -3.066 7.251 -9.810
295 HE2 LYS 37 2HE LYS 37 -1.313 5.731 -9.025
296 HE3 LYS 37 3HE LYS 37 -2.383 5.134 -7.755
297 HZ1 LYS 37 1HZ LYS 37 -2.288 3.648 -9.700
298 HZ2 LYS 37 2HZ LYS 37 -2.938 4.880 -10.669
299 HZ3 LYS 37 3HZ LYS 37 -3.853 4.228 -9.407
300 H TYR 38 H TYR 38 0.766 5.930 -6.298
301 HA TYR 38 HA TYR 38 1.602 4.654 -8.819
302 HB2 TYR 38 2HB TYR 38 3.713 3.855 -7.581
303 HB3 TYR 38 3HB TYR 38 3.684 5.534 -8.073
304 HD1 TYR 38 HD1 TYR 38 3.800 3.278 -5.215
305 HD2 TYR 38 HD2 TYR 38 3.349 7.339 -6.409
306 HE1 TYR 38 HE1 TYR 38 4.306 3.977 -2.930
307 HE2 TYR 38 HE2 TYR 38 3.885 8.075 -4.126
308 HH TYR 38 HH TYR 38 5.151 5.956 -1.766
309 H THR 39 H THR 39 1.599 2.347 -8.747
310 HA THR 39 HA THR 39 0.083 1.193 -6.481
311 HB THR 39 HB THR 39 -0.528 0.584 -9.416
312 HG1 THR 39 HG1 THR 39 -2.515 1.985 -8.305
313 HG21 THR 39 1HG2 THR 39 -2.161 0.122 -6.901
314 HG22 THR 39 2HG2 THR 39 -1.278 -1.112 -7.786
315 HG23 THR 39 3HG2 THR 39 -2.644 -0.303 -8.544
316 H LEU 40 H LEU 40 1.482 -0.218 -5.621
317 HA LEU 40 HA LEU 40 3.501 -1.657 -7.128
318 HB2 LEU 40 2HB LEU 40 2.956 -1.201 -4.178
319 HB3 LEU 40 3HB LEU 40 3.994 -2.532 -4.668
320 HG LEU 40 HG LEU 40 5.404 -0.766 -5.923
321 HD11 LEU 40 1HD1 LEU 40 5.292 1.535 -5.069
322 HD12 LEU 40 2HD1 LEU 40 3.820 1.126 -4.181
323 HD13 LEU 40 3HD1 LEU 40 3.834 1.064 -5.946
324 HD21 LEU 40 1HD2 LEU 40 5.329 -0.690 -2.896
325 HD22 LEU 40 2HD2 LEU 40 6.683 -0.189 -3.913
326 HD23 LEU 40 3HD2 LEU 40 6.175 -1.875 -3.892
327 H CYS 41 H CYS 41 2.526 -3.252 -8.267
328 HA CYS 41 HA CYS 41 0.636 -5.114 -7.088
329 HB2 CYS 41 2HB CYS 41 1.817 -4.893 -9.872
330 HB3 CYS 41 3HB CYS 41 0.672 -6.144 -9.403
Start of MODEL 8
1 H1 SER 1 1H SER 1 -4.067 -13.422 2.891
2 H2 SER 1 2H SER 1 -3.479 -13.944 4.386
3 H3 SER 1 3H SER 1 -4.058 -15.071 3.266
4 HA SER 1 HA SER 1 -1.667 -15.069 3.358
5 HB2 SER 1 2HB SER 1 -2.792 -13.966 0.746
6 HB3 SER 1 3HB SER 1 -1.288 -14.873 0.920
7 HG SER 1 HG SER 1 -2.580 -16.494 0.491
8 H GLN 2 H GLN 2 -0.162 -13.785 4.242
9 HA GLN 2 HA GLN 2 -0.274 -10.880 4.110
10 HB2 GLN 2 2HB GLN 2 0.227 -12.230 6.214
11 HB3 GLN 2 3HB GLN 2 1.774 -12.667 5.499
12 HG2 GLN 2 2HG GLN 2 2.207 -10.122 5.344
13 HG3 GLN 2 3HG GLN 2 0.840 -9.945 6.443
14 HE21 GLN 2 1HE2 GLN 2 2.062 -9.163 8.162
15 HE22 GLN 2 2HE2 GLN 2 3.230 -10.108 9.003
16 H GLU 3 H GLU 3 0.081 -11.209 1.671
17 HA GLU 3 HA GLU 3 2.962 -11.275 0.929
18 HB2 GLU 3 2HB GLU 3 0.571 -11.885 -0.874
19 HB3 GLU 3 3HB GLU 3 2.274 -12.040 -1.302
20 HG2 GLU 3 2HG GLU 3 2.529 -13.889 0.300
21 HG3 GLU 3 3HG GLU 3 0.843 -13.706 0.797
22 H THR 4 H THR 4 0.017 -10.149 -0.683
23 HA THR 4 HA THR 4 1.038 -7.599 -1.443
24 HB THR 4 HB THR 4 -0.674 -8.560 -2.816
25 HG1 THR 4 HG1 THR 4 -0.817 -6.246 -2.391
26 HG21 THR 4 1HG2 THR 4 -2.517 -8.653 -0.406
27 HG22 THR 4 2HG2 THR 4 -1.765 -10.048 -1.182
28 HG23 THR 4 3HG2 THR 4 -2.953 -9.088 -2.067
29 H ARG 5 H ARG 5 -0.723 -8.858 1.307
30 HA ARG 5 HA ARG 5 -1.508 -6.457 2.568
31 HB2 ARG 5 2HB ARG 5 -0.811 -9.150 3.812
32 HB3 ARG 5 3HB ARG 5 -1.602 -7.825 4.661
33 HG2 ARG 5 2HG ARG 5 -3.557 -8.028 3.170
34 HG3 ARG 5 3HG ARG 5 -2.769 -9.365 2.317
35 HD2 ARG 5 2HD ARG 5 -2.675 -10.643 4.437
36 HD3 ARG 5 3HD ARG 5 -3.488 -9.317 5.271
37 HE ARG 5 HE ARG 5 -5.187 -10.034 3.231
38 HH11 ARG 5 1HH1 ARG 5 -3.702 -11.686 5.975
39 HH12 ARG 5 2HH1 ARG 5 -5.019 -12.791 6.176
40 HH21 ARG 5 1HH2 ARG 5 -6.942 -11.445 3.552
41 HH22 ARG 5 2HH2 ARG 5 -6.870 -12.660 4.793
42 H LYS 6 H LYS 6 1.477 -8.455 2.831
43 HA LYS 6 HA LYS 6 2.627 -6.912 4.940
44 HB2 LYS 6 2HB LYS 6 4.429 -8.394 4.898
45 HB3 LYS 6 3HB LYS 6 3.188 -9.386 4.162
46 HG2 LYS 6 2HG LYS 6 4.902 -9.833 2.703
47 HG3 LYS 6 3HG LYS 6 4.243 -8.405 1.903
48 HD2 LYS 6 2HD LYS 6 5.981 -7.066 3.355
49 HD3 LYS 6 3HD LYS 6 6.750 -8.631 3.614
50 HE2 LYS 6 2HE LYS 6 6.997 -8.881 1.168
51 HE3 LYS 6 3HE LYS 6 6.252 -7.296 0.940
52 HZ1 LYS 6 1HZ LYS 6 8.101 -6.289 2.131
53 HZ2 LYS 6 2HZ LYS 6 8.672 -7.196 0.825
54 HZ3 LYS 6 3HZ LYS 6 8.800 -7.804 2.394
55 H LYS 7 H LYS 7 2.690 -6.760 1.429
56 HA LYS 7 HA LYS 7 4.764 -4.833 1.127
57 HB2 LYS 7 2HB LYS 7 4.060 -6.241 -0.730
58 HB3 LYS 7 3HB LYS 7 2.429 -5.577 -0.681
59 HG2 LYS 7 2HG LYS 7 3.231 -3.402 -1.446
60 HG3 LYS 7 3HG LYS 7 4.911 -3.932 -1.318
61 HD2 LYS 7 2HD LYS 7 2.849 -5.109 -3.215
62 HD3 LYS 7 3HD LYS 7 4.080 -3.932 -3.663
63 HE2 LYS 7 2HE LYS 7 5.852 -5.529 -3.119
64 HE3 LYS 7 3HE LYS 7 4.658 -6.696 -2.552
65 HZ1 LYS 7 1HZ LYS 7 5.518 -7.103 -4.811
66 HZ2 LYS 7 2HZ LYS 7 4.758 -5.689 -5.336
67 HZ3 LYS 7 3HZ LYS 7 3.839 -6.969 -4.729
68 H CYS 8 H CYS 8 1.230 -4.604 1.545
69 HA CYS 8 HA CYS 8 0.961 -1.808 1.308
70 HB2 CYS 8 2HB CYS 8 -0.985 -3.326 1.327
71 HB3 CYS 8 3HB CYS 8 -0.686 -3.697 3.025
72 H THR 9 H THR 9 1.774 -3.894 4.053
73 HA THR 9 HA THR 9 1.826 -1.927 6.092
74 HB THR 9 HB THR 9 3.397 -4.544 5.898
75 HG1 THR 9 HG1 THR 9 1.004 -4.620 5.694
76 HG21 THR 9 1HG2 THR 9 4.241 -3.092 7.725
77 HG22 THR 9 2HG2 THR 9 3.390 -4.490 8.387
78 HG23 THR 9 3HG2 THR 9 2.595 -2.916 8.350
79 H GLU 10 H GLU 10 4.247 -3.258 3.903
80 HA GLU 10 HA GLU 10 6.573 -1.950 4.786
81 HB2 GLU 10 2HB GLU 10 6.548 -3.939 3.312
82 HB3 GLU 10 3HB GLU 10 5.845 -2.977 2.013
83 HG2 GLU 10 2HG GLU 10 7.921 -1.554 2.043
84 HG3 GLU 10 3HG GLU 10 8.611 -2.675 3.222
85 H MET 11 H MET 11 4.012 -0.973 2.582
86 HA MET 11 HA MET 11 5.343 1.446 1.739
87 HB2 MET 11 2HB MET 11 2.518 0.447 1.320
88 HB3 MET 11 3HB MET 11 3.121 1.957 0.658
89 HG2 MET 11 2HG MET 11 4.160 -0.811 -0.021
90 HG3 MET 11 3HG MET 11 3.093 0.168 -1.019
91 HE1 MET 11 1HE MET 11 6.675 -0.920 -0.474
92 HE2 MET 11 2HE MET 11 6.731 0.350 0.750
93 HE3 MET 11 3HE MET 11 7.658 0.518 -0.742
94 H LYS 12 H LYS 12 2.662 0.676 4.012
95 HA LYS 12 HA LYS 12 1.913 3.325 4.613
96 HB2 LYS 12 2HB LYS 12 1.554 0.743 6.162
97 HB3 LYS 12 3HB LYS 12 0.949 2.279 6.781
98 HG2 LYS 12 2HG LYS 12 -0.459 2.543 4.790
99 HG3 LYS 12 3HG LYS 12 0.151 1.025 4.137
100 HD2 LYS 12 2HD LYS 12 -1.422 1.305 6.725
101 HD3 LYS 12 3HD LYS 12 -2.107 0.817 5.173
102 HE2 LYS 12 2HE LYS 12 -0.532 -1.145 5.178
103 HE3 LYS 12 3HE LYS 12 -0.039 -0.680 6.811
104 HZ1 LYS 12 1HZ LYS 12 -2.302 -0.973 7.555
105 HZ2 LYS 12 2HZ LYS 12 -1.755 -2.392 6.821
106 HZ3 LYS 12 3HZ LYS 12 -2.815 -1.369 5.993
107 H LYS 13 H LYS 13 4.339 1.231 6.062
108 HA LYS 13 HA LYS 13 4.920 2.831 8.331
109 HB2 LYS 13 2HB LYS 13 6.821 1.379 8.679
110 HB3 LYS 13 3HB LYS 13 5.454 0.407 8.147
111 HG2 LYS 13 2HG LYS 13 6.462 0.528 5.795
112 HG3 LYS 13 3HG LYS 13 7.914 1.190 6.552
113 HD2 LYS 13 2HD LYS 13 6.657 -1.511 7.168
114 HD3 LYS 13 3HD LYS 13 8.071 -1.246 6.151
115 HE2 LYS 13 2HE LYS 13 7.924 -0.587 9.113
116 HE3 LYS 13 3HE LYS 13 8.662 -2.030 8.420
117 HZ1 LYS 13 1HZ LYS 13 9.525 0.766 7.956
118 HZ2 LYS 13 2HZ LYS 13 10.196 -0.589 7.207
119 HZ3 LYS 13 3HZ LYS 13 10.332 -0.396 8.881
120 H LYS 14 H LYS 14 5.867 3.093 5.026
121 HA LYS 14 HA LYS 14 7.975 5.079 5.538
122 HB2 LYS 14 2HB LYS 14 6.841 3.970 2.924
123 HB3 LYS 14 3HB LYS 14 8.206 5.083 3.048
124 HG2 LYS 14 2HG LYS 14 9.491 3.365 4.261
125 HG3 LYS 14 3HG LYS 14 8.123 2.250 4.133
126 HD2 LYS 14 2HD LYS 14 8.303 2.292 1.677
127 HD3 LYS 14 3HD LYS 14 9.636 3.448 1.775
128 HE2 LYS 14 2HE LYS 14 10.474 1.180 1.374
129 HE3 LYS 14 3HE LYS 14 10.998 1.765 2.957
130 HZ1 LYS 14 1HZ LYS 14 8.690 -0.042 2.479
131 HZ2 LYS 14 2HZ LYS 14 9.249 0.477 3.989
132 HZ3 LYS 14 3HZ LYS 14 10.212 -0.527 3.033
133 H PHE 15 H PHE 15 4.736 4.794 4.154
134 HA PHE 15 HA PHE 15 4.579 7.682 3.607
135 HB2 PHE 15 2HB PHE 15 2.967 5.556 2.154
136 HB3 PHE 15 3HB PHE 15 3.247 7.219 1.663
137 HD1 PHE 15 HD1 PHE 15 4.081 3.923 0.915
138 HD2 PHE 15 HD2 PHE 15 5.943 7.759 1.346
139 HE1 PHE 15 HE1 PHE 15 5.970 3.149 -0.447
140 HE2 PHE 15 HE2 PHE 15 7.839 6.969 -0.026
141 HZ PHE 15 HZ PHE 15 7.853 4.663 -0.924
142 H LYS 16 H LYS 16 3.940 7.655 5.948
143 HA LYS 16 HA LYS 16 1.397 6.676 6.779
144 HB2 LYS 16 2HB LYS 16 1.654 8.329 8.686
145 HB3 LYS 16 3HB LYS 16 2.962 7.166 8.527
146 HG2 LYS 16 2HG LYS 16 4.518 8.775 7.868
147 HG3 LYS 16 3HG LYS 16 3.292 9.875 7.242
148 HD2 LYS 16 2HD LYS 16 4.466 10.642 9.349
149 HD3 LYS 16 3HD LYS 16 2.704 10.624 9.442
150 HE2 LYS 16 2HE LYS 16 3.703 9.766 11.507
151 HE3 LYS 16 3HE LYS 16 2.809 8.485 10.692
152 HZ1 LYS 16 1HZ LYS 16 4.847 7.577 11.425
153 HZ2 LYS 16 2HZ LYS 16 5.747 8.864 10.800
154 HZ3 LYS 16 3HZ LYS 16 5.004 7.775 9.753
155 H ASN 17 H ASN 17 2.502 9.630 5.253
156 HA ASN 17 HA ASN 17 0.098 11.152 5.675
157 HB2 ASN 17 2HB ASN 17 2.453 11.591 3.776
158 HB3 ASN 17 3HB ASN 17 1.129 12.737 3.980
159 HD21 ASN 17 1HD2 ASN 17 0.959 13.896 5.929
160 HD22 ASN 17 2HD2 ASN 17 2.289 14.030 7.026
161 H CYS 18 H CYS 18 1.566 9.398 3.019
162 HA CYS 18 HA CYS 18 -0.483 10.004 1.106
163 HB2 CYS 18 2HB CYS 18 1.830 8.029 0.960
164 HB3 CYS 18 3HB CYS 18 0.893 8.639 -0.397
165 H GLU 19 H GLU 19 -2.068 8.632 0.293
166 HA GLU 19 HA GLU 19 -3.221 6.844 2.216
167 HB2 GLU 19 2HB GLU 19 -4.548 8.477 0.810
168 HB3 GLU 19 3HB GLU 19 -4.218 7.464 -0.590
169 HG2 GLU 19 2HG GLU 19 -5.470 5.622 0.344
170 HG3 GLU 19 3HG GLU 19 -5.658 6.459 1.887
171 H VAL 20 H VAL 20 -1.658 5.148 2.262
172 HA VAL 20 HA VAL 20 -1.367 3.368 -0.034
173 HB VAL 20 HB VAL 20 -0.615 2.908 2.890
174 HG11 VAL 20 1HG1 VAL 20 0.856 1.128 2.021
175 HG12 VAL 20 2HG1 VAL 20 0.280 1.445 0.382
176 HG13 VAL 20 3HG1 VAL 20 -0.831 0.820 1.603
177 HG21 VAL 20 1HG2 VAL 20 1.160 3.893 0.635
178 HG22 VAL 20 2HG2 VAL 20 1.689 3.505 2.273
179 HG23 VAL 20 3HG2 VAL 20 0.593 4.860 1.998
180 H ARG 21 H ARG 21 -3.265 2.261 -0.555
181 HA ARG 21 HA ARG 21 -4.989 1.260 1.614
182 HB2 ARG 21 2HB ARG 21 -6.734 1.000 -0.021
183 HB3 ARG 21 3HB ARG 21 -6.023 2.591 -0.252
184 HG2 ARG 21 2HG ARG 21 -4.696 1.623 -2.169
185 HG3 ARG 21 3HG ARG 21 -5.635 0.138 -1.985
186 HD2 ARG 21 2HD ARG 21 -6.878 1.190 -3.629
187 HD3 ARG 21 3HD ARG 21 -7.705 1.834 -2.209
188 HE ARG 21 HE ARG 21 -5.925 3.244 -4.038
189 HH11 ARG 21 1HH1 ARG 21 -7.723 3.458 -1.024
190 HH12 ARG 21 2HH1 ARG 21 -7.657 5.190 -0.982
191 HH21 ARG 21 1HH2 ARG 21 -5.853 5.476 -3.983
192 HH22 ARG 21 2HH2 ARG 21 -6.590 6.334 -2.667
193 H CYS 22 H CYS 22 -4.871 -0.790 2.195
194 HA CYS 22 HA CYS 22 -3.228 -2.730 0.859
195 HB2 CYS 22 2HB CYS 22 -5.147 -3.159 3.187
196 HB3 CYS 22 3HB CYS 22 -3.827 -4.221 2.703
197 H ASP 23 H ASP 23 -3.922 -4.544 -0.232
198 HA ASP 23 HA ASP 23 -6.760 -4.962 -0.790
199 HB2 ASP 23 2HB ASP 23 -6.070 -3.352 -2.527
200 HB3 ASP 23 3HB ASP 23 -4.674 -4.341 -2.936
201 H GLU 24 H GLU 24 -7.185 -6.984 -1.713
202 HA GLU 24 HA GLU 24 -5.074 -8.883 -2.328
203 HB2 GLU 24 2HB GLU 24 -5.936 -10.607 -0.746
204 HB3 GLU 24 3HB GLU 24 -5.283 -9.206 0.099
205 HG2 GLU 24 2HG GLU 24 -7.608 -8.346 0.408
206 HG3 GLU 24 3HG GLU 24 -8.224 -9.809 -0.358
207 H SER 25 H SER 25 -7.746 -7.403 -3.239
208 HA SER 25 HA SER 25 -9.369 -9.626 -4.181
209 HB2 SER 25 2HB SER 25 -10.398 -7.429 -3.508
210 HB3 SER 25 3HB SER 25 -9.571 -6.651 -4.856
211 HG SER 25 HG SER 25 -11.611 -7.157 -5.531
212 H ASN 26 H ASN 26 -7.459 -6.990 -5.664
213 HA ASN 26 HA ASN 26 -6.959 -8.674 -8.055
214 HB2 ASN 26 2HB ASN 26 -6.243 -6.591 -9.187
215 HB3 ASN 26 3HB ASN 26 -7.881 -6.443 -8.567
216 HD21 ASN 26 1HD2 ASN 26 -8.249 -5.064 -6.766
217 HD22 ASN 26 2HD2 ASN 26 -7.116 -3.844 -6.311
218 H HIS 27 H HIS 27 -5.608 -7.930 -5.116
219 HA HIS 27 HA HIS 27 -3.652 -8.346 -4.109
220 HB2 HIS 27 2HB HIS 27 -3.023 -9.946 -6.624
221 HB3 HIS 27 3HB HIS 27 -2.079 -10.014 -5.139
222 HD1 HIS 27 HD1 HIS 27 -2.951 -11.468 -3.233
223 HD2 HIS 27 HD2 HIS 27 -5.644 -11.117 -6.386
224 HE1 HIS 27 HE1 HIS 27 -4.780 -13.121 -2.758
225 HE2 HIS 27 HE2 HIS 27 -6.307 -12.990 -4.753
226 H CYS 28 H CYS 28 -3.839 -5.892 -5.198
227 HA CYS 28 HA CYS 28 -1.003 -5.241 -5.550
228 HB2 CYS 28 2HB CYS 28 -1.931 -5.414 -7.862
229 HB3 CYS 28 3HB CYS 28 -3.111 -4.166 -7.467
230 H VAL 29 H VAL 29 -0.467 -3.521 -4.400
231 HA VAL 29 HA VAL 29 -2.456 -2.123 -2.787
232 HB VAL 29 HB VAL 29 0.594 -2.244 -2.687
233 HG11 VAL 29 1HG1 VAL 29 -1.254 -0.831 -0.734
234 HG12 VAL 29 2HG1 VAL 29 -0.115 -0.049 -1.833
235 HG13 VAL 29 3HG1 VAL 29 0.484 -1.064 -0.519
236 HG21 VAL 29 1HG2 VAL 29 0.265 -3.567 -0.643
237 HG22 VAL 29 2HG2 VAL 29 -0.524 -4.334 -2.026
238 HG23 VAL 29 3HG2 VAL 29 -1.486 -3.447 -0.837
239 H GLU 30 H GLU 30 -3.216 -0.205 -3.515
240 HA GLU 30 HA GLU 30 -1.571 1.469 -5.292
241 HB2 GLU 30 2HB GLU 30 -3.891 1.166 -6.024
242 HB3 GLU 30 3HB GLU 30 -4.481 1.772 -4.478
243 HG2 GLU 30 2HG GLU 30 -3.438 3.978 -4.953
244 HG3 GLU 30 3HG GLU 30 -2.893 3.372 -6.507
245 H VAL 31 H VAL 31 -0.599 3.244 -4.576
246 HA VAL 31 HA VAL 31 -1.251 4.381 -1.929
247 HB VAL 31 HB VAL 31 1.391 4.627 -3.431
248 HG11 VAL 31 1HG1 VAL 31 0.957 6.502 -1.920
249 HG12 VAL 31 2HG1 VAL 31 2.254 5.498 -1.270
250 HG13 VAL 31 3HG1 VAL 31 0.628 5.390 -0.590
251 HG21 VAL 31 1HG2 VAL 31 2.335 3.034 -1.791
252 HG22 VAL 31 2HG2 VAL 31 1.074 2.290 -2.776
253 HG23 VAL 31 3HG2 VAL 31 0.720 2.781 -1.116
254 H ARG 32 H ARG 32 -2.619 6.060 -2.413
255 HA ARG 32 HA ARG 32 -2.020 7.988 -4.521
256 HB2 ARG 32 2HB ARG 32 -4.404 7.314 -3.735
257 HB3 ARG 32 3HB ARG 32 -4.080 8.272 -2.294
258 HG2 ARG 32 2HG ARG 32 -3.554 10.199 -3.978
259 HG3 ARG 32 3HG ARG 32 -4.382 9.179 -5.148
260 HD2 ARG 32 2HD ARG 32 -5.491 10.553 -2.717
261 HD3 ARG 32 3HD ARG 32 -6.062 10.625 -4.383
262 HE ARG 32 HE ARG 32 -6.479 8.435 -2.466
263 HH11 ARG 32 1HH1 ARG 32 -7.356 9.922 -5.544
264 HH12 ARG 32 2HH1 ARG 32 -8.750 8.917 -5.762
265 HH21 ARG 32 1HH2 ARG 32 -8.313 7.160 -2.737
266 HH22 ARG 32 2HH2 ARG 32 -9.289 7.340 -4.155
267 H CYS 33 H CYS 33 -1.568 10.302 -3.913
268 HA CYS 33 HA CYS 33 -1.286 10.937 -1.100
269 HB2 CYS 33 2HB CYS 33 1.040 10.057 -2.025
270 HB3 CYS 33 3HB CYS 33 1.139 11.637 -2.781
271 H SER 34 H SER 34 0.052 12.530 -3.994
272 HA SER 34 HA SER 34 -2.285 14.042 -4.614
273 HB2 SER 34 2HB SER 34 0.060 15.538 -3.337
274 HB3 SER 34 3HB SER 34 -1.180 16.332 -4.301
275 HG SER 34 HG SER 34 -1.440 15.053 -1.794
276 H ASP 35 H ASP 35 1.251 14.362 -4.812
277 HA ASP 35 HA ASP 35 1.185 15.042 -7.650
278 HB2 ASP 35 2HB ASP 35 2.627 16.345 -6.126
279 HB3 ASP 35 3HB ASP 35 3.496 14.889 -5.651
280 H THR 36 H THR 36 1.960 12.288 -5.621
281 HA THR 36 HA THR 36 3.593 11.016 -7.678
282 HB THR 36 HB THR 36 3.796 9.167 -5.929
283 HG1 THR 36 HG1 THR 36 3.226 9.896 -3.761
284 HG21 THR 36 1HG2 THR 36 4.736 11.944 -5.115
285 HG22 THR 36 2HG2 THR 36 5.579 10.843 -6.206
286 HG23 THR 36 3HG2 THR 36 5.384 10.416 -4.507
287 H LYS 37 H LYS 37 1.132 9.448 -5.613
288 HA LYS 37 HA LYS 37 -0.367 7.829 -5.993
289 HB2 LYS 37 2HB LYS 37 -1.451 9.893 -7.138
290 HB3 LYS 37 3HB LYS 37 -1.029 9.131 -8.659
291 HG2 LYS 37 2HG LYS 37 -2.772 7.794 -6.554
292 HG3 LYS 37 3HG LYS 37 -3.429 8.804 -7.837
293 HD2 LYS 37 2HD LYS 37 -1.880 6.208 -8.237
294 HD3 LYS 37 3HD LYS 37 -3.628 6.408 -8.381
295 HE2 LYS 37 2HE LYS 37 -3.339 7.907 -10.293
296 HE3 LYS 37 3HE LYS 37 -1.584 7.838 -10.116
297 HZ1 LYS 37 1HZ LYS 37 -2.259 6.375 -11.852
298 HZ2 LYS 37 2HZ LYS 37 -3.380 5.602 -10.855
299 HZ3 LYS 37 3HZ LYS 37 -1.729 5.437 -10.551
300 H TYR 38 H TYR 38 0.894 6.068 -6.121
301 HA TYR 38 HA TYR 38 1.572 4.916 -8.756
302 HB2 TYR 38 2HB TYR 38 3.725 4.022 -7.654
303 HB3 TYR 38 3HB TYR 38 3.706 5.733 -8.043
304 HD1 TYR 38 HD1 TYR 38 3.794 3.283 -5.299
305 HD2 TYR 38 HD2 TYR 38 3.512 7.426 -6.262
306 HE1 TYR 38 HE1 TYR 38 4.289 3.850 -2.964
307 HE2 TYR 38 HE2 TYR 38 4.028 8.000 -3.942
308 HH TYR 38 HH TYR 38 5.257 5.818 -1.736
309 H THR 39 H THR 39 1.854 2.558 -8.655
310 HA THR 39 HA THR 39 0.253 1.321 -6.496
311 HB THR 39 HB THR 39 -0.058 0.605 -9.449
312 HG1 THR 39 HG1 THR 39 -1.254 2.654 -7.935
313 HG21 THR 39 1HG2 THR 39 -1.890 0.175 -7.072
314 HG22 THR 39 2HG2 THR 39 -0.846 -1.059 -7.774
315 HG23 THR 39 3HG2 THR 39 -2.179 -0.382 -8.717
316 H LEU 40 H LEU 40 1.451 -0.250 -5.558
317 HA LEU 40 HA LEU 40 3.602 -1.641 -7.017
318 HB2 LEU 40 2HB LEU 40 3.066 -1.176 -4.072
319 HB3 LEU 40 3HB LEU 40 4.074 -2.522 -4.575
320 HG LEU 40 HG LEU 40 5.467 -0.712 -5.851
321 HD11 LEU 40 1HD1 LEU 40 3.942 1.153 -5.614
322 HD12 LEU 40 2HD1 LEU 40 5.480 1.511 -4.827
323 HD13 LEU 40 3HD1 LEU 40 4.073 1.073 -3.855
324 HD21 LEU 40 1HD2 LEU 40 6.324 -2.010 -3.975
325 HD22 LEU 40 2HD2 LEU 40 5.565 -0.900 -2.832
326 HD23 LEU 40 3HD2 LEU 40 6.871 -0.337 -3.878
327 H CYS 41 H CYS 41 2.783 -3.371 -8.029
328 HA CYS 41 HA CYS 41 0.709 -5.045 -6.819
329 HB2 CYS 41 2HB CYS 41 2.006 -5.112 -9.564
330 HB3 CYS 41 3HB CYS 41 0.685 -6.159 -9.042
Start of MODEL 9
1 H1 SER 1 1H SER 1 -2.511 -16.442 0.122
2 H2 SER 1 2H SER 1 -1.018 -16.827 0.808
3 H3 SER 1 3H SER 1 -1.367 -17.305 -0.775
4 HA SER 1 HA SER 1 0.114 -15.444 -0.759
5 HB2 SER 1 2HB SER 1 -2.694 -14.868 -1.779
6 HB3 SER 1 3HB SER 1 -1.251 -13.975 -2.271
7 HG SER 1 HG SER 1 -0.427 -15.816 -3.198
8 H GLN 2 H GLN 2 0.805 -14.307 0.969
9 HA GLN 2 HA GLN 2 -0.915 -12.239 2.216
10 HB2 GLN 2 2HB GLN 2 -0.191 -13.978 3.844
11 HB3 GLN 2 3HB GLN 2 1.488 -13.720 3.400
12 HG2 GLN 2 2HG GLN 2 1.324 -11.388 4.298
13 HG3 GLN 2 3HG GLN 2 -0.327 -11.729 4.809
14 HE21 GLN 2 1HE2 GLN 2 0.317 -11.209 6.931
15 HE22 GLN 2 2HE2 GLN 2 1.172 -12.351 7.903
16 H GLU 3 H GLU 3 1.669 -12.761 0.089
17 HA GLU 3 HA GLU 3 3.632 -10.894 0.786
18 HB2 GLU 3 2HB GLU 3 4.454 -11.072 -1.492
19 HB3 GLU 3 3HB GLU 3 3.908 -12.661 -0.970
20 HG2 GLU 3 2HG GLU 3 2.366 -10.778 -2.796
21 HG3 GLU 3 3HG GLU 3 3.327 -12.149 -3.336
22 H THR 4 H THR 4 0.619 -10.394 -0.963
23 HA THR 4 HA THR 4 1.088 -7.654 -1.666
24 HB THR 4 HB THR 4 -0.391 -8.930 -3.071
25 HG1 THR 4 HG1 THR 4 -0.933 -6.626 -2.343
26 HG21 THR 4 1HG2 THR 4 -2.154 -9.389 -0.631
27 HG22 THR 4 2HG2 THR 4 -1.206 -10.612 -1.481
28 HG23 THR 4 3HG2 THR 4 -2.569 -9.837 -2.290
29 H ARG 5 H ARG 5 -0.319 -9.317 1.106
30 HA ARG 5 HA ARG 5 -1.620 -6.988 2.233
31 HB2 ARG 5 2HB ARG 5 -0.913 -9.454 3.860
32 HB3 ARG 5 3HB ARG 5 -2.241 -8.313 4.085
33 HG2 ARG 5 2HG ARG 5 -3.406 -9.228 2.146
34 HG3 ARG 5 3HG ARG 5 -2.045 -10.306 1.802
35 HD2 ARG 5 2HD ARG 5 -2.383 -11.329 4.083
36 HD3 ARG 5 3HD ARG 5 -3.848 -10.360 4.247
37 HE ARG 5 HE ARG 5 -4.370 -11.667 1.990
38 HH11 ARG 5 1HH1 ARG 5 -3.123 -12.892 5.055
39 HH12 ARG 5 2HH1 ARG 5 -3.825 -14.463 4.850
40 HH21 ARG 5 1HH2 ARG 5 -5.320 -13.716 1.779
41 HH22 ARG 5 2HH2 ARG 5 -5.071 -14.922 2.988
42 H LYS 6 H LYS 6 1.513 -8.613 2.541
43 HA LYS 6 HA LYS 6 2.431 -7.123 4.815
44 HB2 LYS 6 2HB LYS 6 4.421 -8.367 4.685
45 HB3 LYS 6 3HB LYS 6 3.308 -9.467 3.906
46 HG2 LYS 6 2HG LYS 6 5.179 -9.602 2.512
47 HG3 LYS 6 3HG LYS 6 4.184 -8.416 1.672
48 HD2 LYS 6 2HD LYS 6 5.551 -6.588 2.806
49 HD3 LYS 6 3HD LYS 6 6.613 -7.846 3.431
50 HE2 LYS 6 2HE LYS 6 6.085 -7.479 0.471
51 HE3 LYS 6 3HE LYS 6 7.376 -6.627 1.317
52 HZ1 LYS 6 1HZ LYS 6 8.114 -8.691 0.229
53 HZ2 LYS 6 2HZ LYS 6 7.108 -9.582 1.252
54 HZ3 LYS 6 3HZ LYS 6 8.390 -8.690 1.899
55 H LYS 7 H LYS 7 2.466 -6.800 1.322
56 HA LYS 7 HA LYS 7 4.236 -4.656 0.952
57 HB2 LYS 7 2HB LYS 7 3.288 -6.012 -0.889
58 HB3 LYS 7 3HB LYS 7 1.690 -5.345 -0.571
59 HG2 LYS 7 2HG LYS 7 2.614 -3.063 -1.133
60 HG3 LYS 7 3HG LYS 7 4.118 -3.853 -1.617
61 HD2 LYS 7 2HD LYS 7 1.370 -4.265 -2.851
62 HD3 LYS 7 3HD LYS 7 2.722 -3.384 -3.561
63 HE2 LYS 7 2HE LYS 7 2.623 -6.377 -3.024
64 HE3 LYS 7 3HE LYS 7 2.511 -5.577 -4.593
65 HZ1 LYS 7 1HZ LYS 7 4.772 -4.723 -4.247
66 HZ2 LYS 7 2HZ LYS 7 4.717 -6.413 -4.256
67 HZ3 LYS 7 3HZ LYS 7 4.868 -5.588 -2.793
68 H CYS 8 H CYS 8 0.787 -4.743 1.840
69 HA CYS 8 HA CYS 8 0.146 -2.045 1.920
70 HB2 CYS 8 2HB CYS 8 -1.550 -3.758 2.339
71 HB3 CYS 8 3HB CYS 8 -0.728 -4.268 3.808
72 H THR 9 H THR 9 1.511 -4.067 4.525
73 HA THR 9 HA THR 9 1.865 -2.120 6.502
74 HB THR 9 HB THR 9 3.435 -4.704 6.033
75 HG1 THR 9 HG1 THR 9 0.974 -4.113 7.309
76 HG21 THR 9 1HG2 THR 9 3.853 -4.686 8.470
77 HG22 THR 9 2HG2 THR 9 3.053 -3.120 8.604
78 HG23 THR 9 3HG2 THR 9 4.567 -3.263 7.708
79 H GLU 10 H GLU 10 3.979 -3.226 3.907
80 HA GLU 10 HA GLU 10 6.389 -1.948 4.645
81 HB2 GLU 10 2HB GLU 10 6.080 -3.896 2.987
82 HB3 GLU 10 3HB GLU 10 5.506 -2.711 1.822
83 HG2 GLU 10 2HG GLU 10 7.808 -3.135 1.319
84 HG3 GLU 10 3HG GLU 10 7.719 -1.522 2.031
85 H MET 11 H MET 11 3.649 -0.977 2.626
86 HA MET 11 HA MET 11 4.840 1.491 1.708
87 HB2 MET 11 2HB MET 11 1.977 0.479 1.479
88 HB3 MET 11 3HB MET 11 2.588 1.935 0.707
89 HG2 MET 11 2HG MET 11 3.511 -0.887 0.121
90 HG3 MET 11 3HG MET 11 2.397 0.050 -0.862
91 HE1 MET 11 1HE MET 11 6.974 0.220 -0.939
92 HE2 MET 11 2HE MET 11 5.940 -1.156 -0.548
93 HE3 MET 11 3HE MET 11 6.147 0.151 0.618
94 H LYS 12 H LYS 12 2.647 0.491 4.299
95 HA LYS 12 HA LYS 12 1.637 3.057 5.001
96 HB2 LYS 12 2HB LYS 12 1.828 0.451 6.542
97 HB3 LYS 12 3HB LYS 12 1.145 1.893 7.276
98 HG2 LYS 12 2HG LYS 12 0.082 0.616 4.731
99 HG3 LYS 12 3HG LYS 12 -0.543 0.273 6.348
100 HD2 LYS 12 2HD LYS 12 -0.572 2.983 4.946
101 HD3 LYS 12 3HD LYS 12 -1.954 1.908 5.160
102 HE2 LYS 12 2HE LYS 12 -1.778 2.182 7.611
103 HE3 LYS 12 3HE LYS 12 -0.409 3.272 7.388
104 HZ1 LYS 12 1HZ LYS 12 -2.447 4.489 7.723
105 HZ2 LYS 12 2HZ LYS 12 -3.172 3.723 6.403
106 HZ3 LYS 12 3HZ LYS 12 -1.865 4.763 6.161
107 H LYS 13 H LYS 13 4.377 1.144 6.214
108 HA LYS 13 HA LYS 13 4.957 2.775 8.449
109 HB2 LYS 13 2HB LYS 13 6.989 1.458 8.689
110 HB3 LYS 13 3HB LYS 13 5.641 0.403 8.276
111 HG2 LYS 13 2HG LYS 13 6.430 0.329 5.925
112 HG3 LYS 13 3HG LYS 13 7.789 1.369 6.351
113 HD2 LYS 13 2HD LYS 13 8.568 -0.927 6.258
114 HD3 LYS 13 3HD LYS 13 8.594 -0.398 7.941
115 HE2 LYS 13 2HE LYS 13 6.461 -1.606 8.335
116 HE3 LYS 13 3HE LYS 13 6.445 -2.116 6.646
117 HZ1 LYS 13 1HZ LYS 13 8.521 -2.830 8.641
118 HZ2 LYS 13 2HZ LYS 13 8.490 -3.329 7.027
119 HZ3 LYS 13 3HZ LYS 13 7.286 -3.847 8.095
120 H LYS 14 H LYS 14 5.855 3.077 5.106
121 HA LYS 14 HA LYS 14 7.960 5.070 5.663
122 HB2 LYS 14 2HB LYS 14 8.377 3.118 4.077
123 HB3 LYS 14 3HB LYS 14 7.171 3.803 2.999
124 HG2 LYS 14 2HG LYS 14 8.537 5.784 2.637
125 HG3 LYS 14 3HG LYS 14 9.697 5.253 3.861
126 HD2 LYS 14 2HD LYS 14 10.208 3.249 2.439
127 HD3 LYS 14 3HD LYS 14 9.123 3.889 1.201
128 HE2 LYS 14 2HE LYS 14 11.621 5.291 2.220
129 HE3 LYS 14 3HE LYS 14 11.520 4.367 0.723
130 HZ1 LYS 14 1HZ LYS 14 11.297 6.722 0.318
131 HZ2 LYS 14 2HZ LYS 14 9.964 6.820 1.348
132 HZ3 LYS 14 3HZ LYS 14 9.860 5.925 -0.086
133 H PHE 15 H PHE 15 5.062 4.551 3.721
134 HA PHE 15 HA PHE 15 4.830 7.387 3.023
135 HB2 PHE 15 2HB PHE 15 3.178 5.043 1.993
136 HB3 PHE 15 3HB PHE 15 3.292 6.648 1.280
137 HD1 PHE 15 HD1 PHE 15 4.144 3.482 0.516
138 HD2 PHE 15 HD2 PHE 15 6.142 7.218 1.120
139 HE1 PHE 15 HE1 PHE 15 6.002 2.721 -0.887
140 HE2 PHE 15 HE2 PHE 15 7.994 6.442 -0.291
141 HZ PHE 15 HZ PHE 15 7.925 4.194 -1.297
142 H LYS 16 H LYS 16 4.405 7.068 5.615
143 HA LYS 16 HA LYS 16 1.817 6.497 6.571
144 HB2 LYS 16 2HB LYS 16 2.510 7.795 8.568
145 HB3 LYS 16 3HB LYS 16 3.773 6.682 8.053
146 HG2 LYS 16 2HG LYS 16 5.053 8.502 7.065
147 HG3 LYS 16 3HG LYS 16 3.750 9.651 7.390
148 HD2 LYS 16 2HD LYS 16 4.072 9.228 9.854
149 HD3 LYS 16 3HD LYS 16 5.455 8.202 9.460
150 HE2 LYS 16 2HE LYS 16 6.598 10.129 8.439
151 HE3 LYS 16 3HE LYS 16 5.204 11.154 8.787
152 HZ1 LYS 16 1HZ LYS 16 6.923 9.807 10.801
153 HZ2 LYS 16 2HZ LYS 16 5.572 10.758 11.148
154 HZ3 LYS 16 3HZ LYS 16 6.935 11.457 10.428
155 H ASN 17 H ASN 17 3.174 9.285 5.002
156 HA ASN 17 HA ASN 17 1.101 11.187 5.677
157 HB2 ASN 17 2HB ASN 17 3.376 11.343 3.638
158 HB3 ASN 17 3HB ASN 17 2.390 12.705 4.173
159 HD21 ASN 17 1HD2 ASN 17 5.301 12.115 4.371
160 HD22 ASN 17 2HD2 ASN 17 5.690 12.356 6.033
161 H CYS 18 H CYS 18 1.680 8.827 3.250
162 HA CYS 18 HA CYS 18 -0.125 9.936 1.254
163 HB2 CYS 18 2HB CYS 18 1.521 7.381 1.288
164 HB3 CYS 18 3HB CYS 18 0.584 7.965 -0.087
165 H GLU 19 H GLU 19 -1.855 8.636 0.360
166 HA GLU 19 HA GLU 19 -3.403 7.194 2.393
167 HB2 GLU 19 2HB GLU 19 -4.435 9.056 0.999
168 HB3 GLU 19 3HB GLU 19 -4.228 8.041 -0.413
169 HG2 GLU 19 2HG GLU 19 -5.739 6.347 0.589
170 HG3 GLU 19 3HG GLU 19 -5.981 7.411 1.980
171 H VAL 20 H VAL 20 -2.217 5.289 2.459
172 HA VAL 20 HA VAL 20 -1.598 3.724 0.072
173 HB VAL 20 HB VAL 20 -1.260 3.159 3.064
174 HG11 VAL 20 1HG1 VAL 20 0.137 1.208 2.445
175 HG12 VAL 20 2HG1 VAL 20 -0.253 1.469 0.743
176 HG13 VAL 20 3HG1 VAL 20 -1.523 1.010 1.876
177 HG21 VAL 20 1HG2 VAL 20 1.146 3.514 2.652
178 HG22 VAL 20 2HG2 VAL 20 0.209 4.946 2.213
179 HG23 VAL 20 3HG2 VAL 20 0.808 3.863 0.954
180 H ARG 21 H ARG 21 -3.328 2.781 -0.856
181 HA ARG 21 HA ARG 21 -5.598 1.709 0.664
182 HB2 ARG 21 2HB ARG 21 -5.287 2.188 -2.343
183 HB3 ARG 21 3HB ARG 21 -6.751 1.608 -1.548
184 HG2 ARG 21 2HG ARG 21 -6.876 3.760 -0.279
185 HG3 ARG 21 3HG ARG 21 -5.466 4.341 -1.178
186 HD2 ARG 21 2HD ARG 21 -6.721 4.119 -3.289
187 HD3 ARG 21 3HD ARG 21 -8.120 3.500 -2.400
188 HE ARG 21 HE ARG 21 -7.112 6.160 -1.696
189 HH11 ARG 21 1HH1 ARG 21 -9.592 4.297 -3.364
190 HH12 ARG 21 2HH1 ARG 21 -10.697 5.628 -3.447
191 HH21 ARG 21 1HH2 ARG 21 -8.617 7.885 -1.792
192 HH22 ARG 21 2HH2 ARG 21 -10.147 7.647 -2.564
193 H CYS 22 H CYS 22 -5.238 -0.310 1.301
194 HA CYS 22 HA CYS 22 -3.508 -2.153 -0.181
195 HB2 CYS 22 2HB CYS 22 -4.771 -2.509 2.563
196 HB3 CYS 22 3HB CYS 22 -3.376 -3.361 1.897
197 H ASP 23 H ASP 23 -4.170 -4.331 -0.676
198 HA ASP 23 HA ASP 23 -6.746 -5.372 -0.185
199 HB2 ASP 23 2HB ASP 23 -7.351 -3.575 -1.937
200 HB3 ASP 23 3HB ASP 23 -6.414 -4.506 -3.101
201 H GLU 24 H GLU 24 -6.685 -7.558 -0.506
202 HA GLU 24 HA GLU 24 -4.168 -8.681 -1.527
203 HB2 GLU 24 2HB GLU 24 -4.729 -10.678 -0.286
204 HB3 GLU 24 3HB GLU 24 -4.907 -9.281 0.764
205 HG2 GLU 24 2HG GLU 24 -7.261 -9.432 0.788
206 HG3 GLU 24 3HG GLU 24 -7.308 -10.463 -0.643
207 H SER 25 H SER 25 -7.601 -8.623 -2.247
208 HA SER 25 HA SER 25 -7.756 -11.012 -3.798
209 HB2 SER 25 2HB SER 25 -9.582 -8.574 -3.943
210 HB3 SER 25 3HB SER 25 -9.974 -10.227 -4.427
211 HG SER 25 HG SER 25 -9.588 -10.796 -2.183
212 H ASN 26 H ASN 26 -6.984 -7.689 -4.512
213 HA ASN 26 HA ASN 26 -6.833 -8.015 -7.408
214 HB2 ASN 26 2HB ASN 26 -7.725 -5.918 -6.261
215 HB3 ASN 26 3HB ASN 26 -6.091 -5.584 -5.707
216 HD21 ASN 26 1HD2 ASN 26 -4.560 -4.876 -7.221
217 HD22 ASN 26 2HD2 ASN 26 -5.005 -4.312 -8.788
218 H HIS 27 H HIS 27 -4.822 -8.370 -4.653
219 HA HIS 27 HA HIS 27 -2.662 -8.857 -4.253
220 HB2 HIS 27 2HB HIS 27 -2.711 -9.655 -7.190
221 HB3 HIS 27 3HB HIS 27 -1.326 -9.945 -6.141
222 HD1 HIS 27 HD1 HIS 27 -1.445 -11.907 -4.526
223 HD2 HIS 27 HD2 HIS 27 -5.012 -11.253 -6.563
224 HE1 HIS 27 HE1 HIS 27 -2.891 -13.898 -4.030
225 HE2 HIS 27 HE2 HIS 27 -5.072 -13.427 -5.186
226 H CYS 28 H CYS 28 -3.165 -6.217 -4.532
227 HA CYS 28 HA CYS 28 -0.670 -5.052 -5.292
228 HB2 CYS 28 2HB CYS 28 -1.744 -5.372 -7.527
229 HB3 CYS 28 3HB CYS 28 -3.076 -4.336 -7.025
230 H VAL 29 H VAL 29 -0.531 -2.815 -4.727
231 HA VAL 29 HA VAL 29 -2.660 -1.758 -2.949
232 HB VAL 29 HB VAL 29 0.357 -1.806 -2.424
233 HG11 VAL 29 1HG1 VAL 29 -0.113 -0.586 -0.311
234 HG12 VAL 29 2HG1 VAL 29 -1.803 -0.419 -0.793
235 HG13 VAL 29 3HG1 VAL 29 -0.537 0.377 -1.731
236 HG21 VAL 29 1HG2 VAL 29 -1.919 -3.053 -0.827
237 HG22 VAL 29 2HG2 VAL 29 -0.207 -3.105 -0.396
238 HG23 VAL 29 3HG2 VAL 29 -0.776 -3.932 -1.847
239 H GLU 30 H GLU 30 -3.373 0.116 -3.819
240 HA GLU 30 HA GLU 30 -1.675 1.834 -5.477
241 HB2 GLU 30 2HB GLU 30 -3.977 1.543 -6.242
242 HB3 GLU 30 3HB GLU 30 -4.608 2.053 -4.676
243 HG2 GLU 30 2HG GLU 30 -3.568 4.320 -5.062
244 HG3 GLU 30 3HG GLU 30 -3.103 3.780 -6.673
245 H VAL 31 H VAL 31 -0.350 3.183 -4.394
246 HA VAL 31 HA VAL 31 -1.147 4.399 -1.836
247 HB VAL 31 HB VAL 31 1.511 4.598 -3.309
248 HG11 VAL 31 1HG1 VAL 31 2.430 5.293 -1.121
249 HG12 VAL 31 2HG1 VAL 31 0.811 5.220 -0.420
250 HG13 VAL 31 3HG1 VAL 31 1.171 6.397 -1.688
251 HG21 VAL 31 1HG2 VAL 31 2.377 2.861 -1.791
252 HG22 VAL 31 2HG2 VAL 31 1.071 2.246 -2.808
253 HG23 VAL 31 3HG2 VAL 31 0.759 2.642 -1.111
254 H ARG 32 H ARG 32 -2.346 6.147 -2.167
255 HA ARG 32 HA ARG 32 -1.841 8.032 -4.379
256 HB2 ARG 32 2HB ARG 32 -4.090 6.995 -4.301
257 HB3 ARG 32 3HB ARG 32 -4.316 7.572 -2.654
258 HG2 ARG 32 2HG ARG 32 -4.346 9.897 -3.430
259 HG3 ARG 32 3HG ARG 32 -3.980 9.375 -5.068
260 HD2 ARG 32 2HD ARG 32 -6.503 8.756 -3.505
261 HD3 ARG 32 3HD ARG 32 -6.361 9.876 -4.865
262 HE ARG 32 HE ARG 32 -5.499 7.323 -5.692
263 HH11 ARG 32 1HH1 ARG 32 -8.499 8.914 -4.769
264 HH12 ARG 32 2HH1 ARG 32 -9.481 7.871 -5.740
265 HH21 ARG 32 1HH2 ARG 32 -6.813 5.959 -6.952
266 HH22 ARG 32 2HH2 ARG 32 -8.531 6.201 -6.974
267 H CYS 33 H CYS 33 -0.151 9.232 -3.387
268 HA CYS 33 HA CYS 33 -0.332 10.240 -0.720
269 HB2 CYS 33 2HB CYS 33 1.427 11.209 -2.993
270 HB3 CYS 33 3HB CYS 33 1.643 11.586 -1.286
271 H SER 34 H SER 34 -0.446 12.026 -3.841
272 HA SER 34 HA SER 34 -2.763 13.549 -3.164
273 HB2 SER 34 2HB SER 34 -1.099 14.744 -1.729
274 HB3 SER 34 3HB SER 34 -0.105 15.063 -3.153
275 HG SER 34 HG SER 34 -2.767 15.959 -2.729
276 H ASP 35 H ASP 35 0.216 14.060 -5.067
277 HA ASP 35 HA ASP 35 -1.368 14.121 -7.579
278 HB2 ASP 35 2HB ASP 35 -0.463 16.356 -6.940
279 HB3 ASP 35 3HB ASP 35 1.172 15.696 -6.930
280 H THR 36 H THR 36 1.275 12.638 -5.844
281 HA THR 36 HA THR 36 2.712 11.589 -8.086
282 HB THR 36 HB THR 36 3.632 9.900 -6.429
283 HG1 THR 36 HG1 THR 36 3.049 10.303 -4.206
284 HG21 THR 36 1HG2 THR 36 4.870 11.538 -5.044
285 HG22 THR 36 2HG2 THR 36 3.732 12.804 -5.517
286 HG23 THR 36 3HG2 THR 36 4.778 12.058 -6.728
287 H LYS 37 H LYS 37 0.620 9.821 -5.777
288 HA LYS 37 HA LYS 37 -0.565 7.914 -5.885
289 HB2 LYS 37 2HB LYS 37 -2.154 9.576 -6.855
290 HB3 LYS 37 3HB LYS 37 -1.622 9.110 -8.467
291 HG2 LYS 37 2HG LYS 37 -2.401 6.750 -7.966
292 HG3 LYS 37 3HG LYS 37 -3.067 7.347 -6.450
293 HD2 LYS 37 2HD LYS 37 -4.879 7.215 -8.013
294 HD3 LYS 37 3HD LYS 37 -4.509 8.926 -7.794
295 HE2 LYS 37 2HE LYS 37 -3.403 7.310 -10.108
296 HE3 LYS 37 3HE LYS 37 -4.952 8.141 -10.196
297 HZ1 LYS 37 1HZ LYS 37 -3.733 10.227 -9.712
298 HZ2 LYS 37 2HZ LYS 37 -3.291 9.504 -11.175
299 HZ3 LYS 37 3HZ LYS 37 -2.276 9.372 -9.833
300 H TYR 38 H TYR 38 1.005 6.373 -6.094
301 HA TYR 38 HA TYR 38 1.404 5.134 -8.764
302 HB2 TYR 38 2HB TYR 38 3.567 4.187 -7.705
303 HB3 TYR 38 3HB TYR 38 3.561 5.888 -8.106
304 HD1 TYR 38 HD1 TYR 38 3.411 3.492 -5.290
305 HD2 TYR 38 HD2 TYR 38 3.785 7.597 -6.409
306 HE1 TYR 38 HE1 TYR 38 4.042 4.037 -2.999
307 HE2 TYR 38 HE2 TYR 38 4.440 8.155 -4.107
308 HH TYR 38 HH TYR 38 5.295 5.773 -1.854
309 H THR 39 H THR 39 1.516 2.794 -8.772
310 HA THR 39 HA THR 39 0.044 1.492 -6.556
311 HB THR 39 HB THR 39 -0.532 1.130 -9.542
312 HG1 THR 39 HG1 THR 39 -1.513 2.863 -7.619
313 HG21 THR 39 1HG2 THR 39 -2.523 -0.133 -8.762
314 HG22 THR 39 2HG2 THR 39 -1.980 0.054 -7.093
315 HG23 THR 39 3HG2 THR 39 -1.025 -0.901 -8.230
316 H LEU 40 H LEU 40 1.376 -0.028 -5.762
317 HA LEU 40 HA LEU 40 3.403 -1.351 -7.429
318 HB2 LEU 40 2HB LEU 40 3.048 -1.006 -4.434
319 HB3 LEU 40 3HB LEU 40 4.059 -2.307 -5.047
320 HG LEU 40 HG LEU 40 5.437 -0.539 -6.262
321 HD11 LEU 40 1HD1 LEU 40 3.854 1.381 -4.544
322 HD12 LEU 40 2HD1 LEU 40 3.816 1.276 -6.305
323 HD13 LEU 40 3HD1 LEU 40 5.293 1.783 -5.487
324 HD21 LEU 40 1HD2 LEU 40 5.338 -0.386 -3.237
325 HD22 LEU 40 2HD2 LEU 40 6.686 0.132 -4.254
326 HD23 LEU 40 3HD2 LEU 40 6.229 -1.568 -4.199
327 H CYS 41 H CYS 41 2.813 -3.201 -8.351
328 HA CYS 41 HA CYS 41 0.827 -4.975 -7.031
329 HB2 CYS 41 2HB CYS 41 1.447 -4.681 -10.000
330 HB3 CYS 41 3HB CYS 41 0.286 -5.808 -9.309
Start of MODEL 10
1 H1 SER 1 1H SER 1 -1.296 -16.483 2.808
2 H2 SER 1 2H SER 1 0.387 -16.647 2.810
3 H3 SER 1 3H SER 1 -0.545 -17.482 1.676
4 HA SER 1 HA SER 1 0.551 -15.579 0.695
5 HB2 SER 1 2HB SER 1 -2.484 -15.305 0.892
6 HB3 SER 1 3HB SER 1 -1.472 -14.625 -0.385
7 HG SER 1 HG SER 1 -0.891 -16.760 -0.969
8 H GLN 2 H GLN 2 1.592 -13.871 1.414
9 HA GLN 2 HA GLN 2 0.248 -11.581 2.526
10 HB2 GLN 2 2HB GLN 2 0.787 -12.975 4.573
11 HB3 GLN 2 3HB GLN 2 2.495 -12.876 4.147
12 HG2 GLN 2 2HG GLN 2 2.311 -10.363 4.322
13 HG3 GLN 2 3HG GLN 2 0.669 -10.578 4.926
14 HE21 GLN 2 1HE2 GLN 2 1.139 -9.638 6.908
15 HE22 GLN 2 2HE2 GLN 2 2.116 -10.393 8.117
16 H GLU 3 H GLU 3 0.897 -10.837 0.518
17 HA GLU 3 HA GLU 3 3.763 -10.332 0.096
18 HB2 GLU 3 2HB GLU 3 3.560 -10.873 -2.296
19 HB3 GLU 3 3HB GLU 3 3.192 -12.259 -1.285
20 HG2 GLU 3 2HG GLU 3 1.147 -10.548 -2.723
21 HG3 GLU 3 3HG GLU 3 1.738 -12.102 -3.275
22 H THR 4 H THR 4 0.558 -9.518 -1.330
23 HA THR 4 HA THR 4 1.234 -6.709 -1.651
24 HB THR 4 HB THR 4 -0.280 -7.695 -3.273
25 HG1 THR 4 HG1 THR 4 -2.177 -6.271 -2.878
26 HG21 THR 4 1HG2 THR 4 -1.263 -9.490 -1.891
27 HG22 THR 4 2HG2 THR 4 -2.514 -8.540 -2.699
28 HG23 THR 4 3HG2 THR 4 -2.186 -8.286 -0.985
29 H ARG 5 H ARG 5 -0.180 -8.782 0.692
30 HA ARG 5 HA ARG 5 -1.601 -6.867 2.266
31 HB2 ARG 5 2HB ARG 5 -0.542 -9.579 3.172
32 HB3 ARG 5 3HB ARG 5 -1.929 -8.695 3.806
33 HG2 ARG 5 2HG ARG 5 -3.122 -9.045 1.666
34 HG3 ARG 5 3HG ARG 5 -1.730 -9.932 1.043
35 HD2 ARG 5 2HD ARG 5 -2.049 -11.556 2.980
36 HD3 ARG 5 3HD ARG 5 -3.588 -10.740 3.299
37 HE ARG 5 HE ARG 5 -3.332 -11.582 0.567
38 HH11 ARG 5 1HH1 ARG 5 -4.189 -12.733 3.779
39 HH12 ARG 5 2HH1 ARG 5 -5.169 -14.033 3.183
40 HH21 ARG 5 1HH2 ARG 5 -4.594 -13.314 -0.210
41 HH22 ARG 5 2HH2 ARG 5 -5.399 -14.360 0.920
42 H LYS 6 H LYS 6 1.524 -8.575 2.614
43 HA LYS 6 HA LYS 6 2.593 -7.145 4.802
44 HB2 LYS 6 2HB LYS 6 3.745 -9.145 4.321
45 HB3 LYS 6 3HB LYS 6 3.769 -8.860 2.593
46 HG2 LYS 6 2HG LYS 6 5.405 -6.991 4.277
47 HG3 LYS 6 3HG LYS 6 5.977 -8.655 4.166
48 HD2 LYS 6 2HD LYS 6 6.326 -8.514 1.825
49 HD3 LYS 6 3HD LYS 6 5.284 -7.101 1.654
50 HE2 LYS 6 2HE LYS 6 7.673 -6.542 1.374
51 HE3 LYS 6 3HE LYS 6 6.969 -5.695 2.752
52 HZ1 LYS 6 1HZ LYS 6 8.579 -8.179 2.913
53 HZ2 LYS 6 2HZ LYS 6 7.972 -7.300 4.217
54 HZ3 LYS 6 3HZ LYS 6 9.162 -6.627 3.222
55 H LYS 7 H LYS 7 2.728 -6.625 1.320
56 HA LYS 7 HA LYS 7 4.614 -4.591 1.097
57 HB2 LYS 7 2HB LYS 7 3.576 -5.953 -0.737
58 HB3 LYS 7 3HB LYS 7 2.109 -4.998 -0.585
59 HG2 LYS 7 2HG LYS 7 3.457 -2.973 -1.218
60 HG3 LYS 7 3HG LYS 7 4.835 -4.043 -1.509
61 HD2 LYS 7 2HD LYS 7 2.157 -4.035 -2.952
62 HD3 LYS 7 3HD LYS 7 3.724 -3.603 -3.626
63 HE2 LYS 7 2HE LYS 7 2.930 -6.386 -2.709
64 HE3 LYS 7 3HE LYS 7 2.930 -5.827 -4.381
65 HZ1 LYS 7 1HZ LYS 7 4.925 -7.078 -3.852
66 HZ2 LYS 7 2HZ LYS 7 5.315 -5.994 -2.622
67 HZ3 LYS 7 3HZ LYS 7 5.303 -5.475 -4.232
68 H CYS 8 H CYS 8 1.101 -4.403 1.552
69 HA CYS 8 HA CYS 8 0.794 -1.605 1.406
70 HB2 CYS 8 2HB CYS 8 -1.089 -3.169 1.180
71 HB3 CYS 8 3HB CYS 8 -0.923 -3.644 2.870
72 H THR 9 H THR 9 1.312 -3.798 4.164
73 HA THR 9 HA THR 9 1.118 -1.933 6.263
74 HB THR 9 HB THR 9 2.867 -4.438 6.217
75 HG1 THR 9 HG1 THR 9 0.075 -4.095 6.344
76 HG21 THR 9 1HG2 THR 9 2.326 -4.572 8.628
77 HG22 THR 9 2HG2 THR 9 1.415 -3.064 8.514
78 HG23 THR 9 3HG2 THR 9 3.161 -3.061 8.253
79 H GLU 10 H GLU 10 3.892 -3.035 4.305
80 HA GLU 10 HA GLU 10 5.945 -1.555 5.586
81 HB2 GLU 10 2HB GLU 10 6.508 -3.427 4.111
82 HB3 GLU 10 3HB GLU 10 5.737 -2.632 2.738
83 HG2 GLU 10 2HG GLU 10 7.457 -0.774 2.990
84 HG3 GLU 10 3HG GLU 10 8.273 -1.800 4.168
85 H MET 11 H MET 11 3.814 -0.873 2.840
86 HA MET 11 HA MET 11 5.036 1.566 2.039
87 HB2 MET 11 2HB MET 11 2.296 0.398 1.433
88 HB3 MET 11 3HB MET 11 2.865 1.906 0.740
89 HG2 MET 11 2HG MET 11 4.191 -0.778 0.301
90 HG3 MET 11 3HG MET 11 3.020 -0.043 -0.786
91 HE1 MET 11 1HE MET 11 6.698 -0.528 -0.065
92 HE2 MET 11 2HE MET 11 6.486 0.840 1.032
93 HE3 MET 11 3HE MET 11 7.452 1.025 -0.428
94 H LYS 12 H LYS 12 2.509 0.778 4.387
95 HA LYS 12 HA LYS 12 1.595 3.485 4.752
96 HB2 LYS 12 2HB LYS 12 1.279 0.976 6.457
97 HB3 LYS 12 3HB LYS 12 0.611 2.535 6.941
98 HG2 LYS 12 2HG LYS 12 -0.751 2.597 4.900
99 HG3 LYS 12 3HG LYS 12 -0.072 1.056 4.390
100 HD2 LYS 12 2HD LYS 12 -1.110 -0.061 6.318
101 HD3 LYS 12 3HD LYS 12 -1.749 1.484 6.893
102 HE2 LYS 12 2HE LYS 12 -3.149 1.689 4.910
103 HE3 LYS 12 3HE LYS 12 -2.433 0.239 4.208
104 HZ1 LYS 12 1HZ LYS 12 -3.352 -1.003 6.129
105 HZ2 LYS 12 2HZ LYS 12 -4.521 -0.334 5.118
106 HZ3 LYS 12 3HZ LYS 12 -4.178 0.395 6.600
107 H LYS 13 H LYS 13 3.936 1.391 6.402
108 HA LYS 13 HA LYS 13 4.672 3.231 8.450
109 HB2 LYS 13 2HB LYS 13 6.178 0.851 7.278
110 HB3 LYS 13 3HB LYS 13 6.687 1.729 8.720
111 HG2 LYS 13 2HG LYS 13 4.617 1.082 9.878
112 HG3 LYS 13 3HG LYS 13 4.057 0.236 8.429
113 HD2 LYS 13 2HD LYS 13 6.000 -1.317 8.611
114 HD3 LYS 13 3HD LYS 13 6.518 -0.479 10.076
115 HE2 LYS 13 2HE LYS 13 4.378 -1.118 11.171
116 HE3 LYS 13 3HE LYS 13 3.910 -1.992 9.711
117 HZ1 LYS 13 1HZ LYS 13 4.812 -3.484 11.353
118 HZ2 LYS 13 2HZ LYS 13 6.250 -2.605 11.438
119 HZ3 LYS 13 3HZ LYS 13 5.846 -3.428 10.017
120 H LYS 14 H LYS 14 5.864 2.641 5.189
121 HA LYS 14 HA LYS 14 8.155 4.389 5.356
122 HB2 LYS 14 2HB LYS 14 7.624 2.309 3.726
123 HB3 LYS 14 3HB LYS 14 6.901 3.545 2.709
124 HG2 LYS 14 2HG LYS 14 9.799 3.414 3.621
125 HG3 LYS 14 3HG LYS 14 9.189 3.041 2.008
126 HD2 LYS 14 2HD LYS 14 8.518 5.389 1.705
127 HD3 LYS 14 3HD LYS 14 9.059 5.766 3.342
128 HE2 LYS 14 2HE LYS 14 11.379 5.112 2.670
129 HE3 LYS 14 3HE LYS 14 10.799 4.899 1.016
130 HZ1 LYS 14 1HZ LYS 14 11.750 7.067 1.222
131 HZ2 LYS 14 2HZ LYS 14 10.822 7.421 2.585
132 HZ3 LYS 14 3HZ LYS 14 10.076 7.259 1.076
133 H PHE 15 H PHE 15 5.191 4.492 3.391
134 HA PHE 15 HA PHE 15 5.283 7.403 3.125
135 HB2 PHE 15 2HB PHE 15 3.379 5.354 1.898
136 HB3 PHE 15 3HB PHE 15 3.535 7.034 1.415
137 HD1 PHE 15 HD1 PHE 15 4.434 3.787 0.508
138 HD2 PHE 15 HD2 PHE 15 6.134 7.704 0.823
139 HE1 PHE 15 HE1 PHE 15 6.209 3.150 -1.069
140 HE2 PHE 15 HE2 PHE 15 7.897 7.050 -0.763
141 HZ PHE 15 HZ PHE 15 7.940 4.776 -1.708
142 H LYS 16 H LYS 16 4.936 7.549 5.438
143 HA LYS 16 HA LYS 16 2.341 6.883 6.574
144 HB2 LYS 16 2HB LYS 16 3.509 8.034 8.664
145 HB3 LYS 16 3HB LYS 16 3.963 6.422 8.150
146 HG2 LYS 16 2HG LYS 16 5.997 7.524 8.663
147 HG3 LYS 16 3HG LYS 16 5.914 7.448 6.905
148 HD2 LYS 16 2HD LYS 16 6.765 9.628 7.594
149 HD3 LYS 16 3HD LYS 16 5.178 9.823 6.848
150 HE2 LYS 16 2HE LYS 16 5.432 11.240 8.857
151 HE3 LYS 16 3HE LYS 16 4.143 10.056 9.065
152 HZ1 LYS 16 1HZ LYS 16 5.624 8.707 10.396
153 HZ2 LYS 16 2HZ LYS 16 5.558 10.270 11.026
154 HZ3 LYS 16 3HZ LYS 16 6.903 9.783 10.133
155 H ASN 17 H ASN 17 1.850 8.462 4.604
156 HA ASN 17 HA ASN 17 0.558 10.788 5.569
157 HB2 ASN 17 2HB ASN 17 1.830 12.509 4.272
158 HB3 ASN 17 3HB ASN 17 2.835 11.772 5.520
159 HD21 ASN 17 1HD2 ASN 17 4.451 10.240 4.859
160 HD22 ASN 17 2HD2 ASN 17 5.088 10.275 3.253
161 H CYS 18 H CYS 18 1.891 9.006 2.816
162 HA CYS 18 HA CYS 18 -0.136 9.765 0.914
163 HB2 CYS 18 2HB CYS 18 1.887 7.493 0.893
164 HB3 CYS 18 3HB CYS 18 0.870 7.936 -0.472
165 H GLU 19 H GLU 19 -1.947 8.588 0.315
166 HA GLU 19 HA GLU 19 -3.204 6.910 2.278
167 HB2 GLU 19 2HB GLU 19 -4.494 8.578 0.998
168 HB3 GLU 19 3HB GLU 19 -4.106 7.755 -0.502
169 HG2 GLU 19 2HG GLU 19 -5.373 5.757 0.299
170 HG3 GLU 19 3HG GLU 19 -5.837 6.659 1.743
171 H VAL 20 H VAL 20 -1.864 5.098 2.328
172 HA VAL 20 HA VAL 20 -1.483 3.374 0.007
173 HB VAL 20 HB VAL 20 -0.797 3.050 2.970
174 HG11 VAL 20 1HG1 VAL 20 -1.065 0.864 1.858
175 HG12 VAL 20 2HG1 VAL 20 0.619 1.168 2.283
176 HG13 VAL 20 3HG1 VAL 20 0.087 1.357 0.611
177 HG21 VAL 20 1HG2 VAL 20 0.404 4.901 1.865
178 HG22 VAL 20 2HG2 VAL 20 1.008 3.778 0.645
179 HG23 VAL 20 3HG2 VAL 20 1.490 3.590 2.330
180 H ARG 21 H ARG 21 -3.117 1.933 -0.571
181 HA ARG 21 HA ARG 21 -5.093 1.033 1.455
182 HB2 ARG 21 2HB ARG 21 -5.447 1.356 -1.568
183 HB3 ARG 21 3HB ARG 21 -6.649 0.655 -0.487
184 HG2 ARG 21 2HG ARG 21 -6.717 2.861 0.746
185 HG3 ARG 21 3HG ARG 21 -5.663 3.524 -0.504
186 HD2 ARG 21 2HD ARG 21 -7.381 3.023 -2.213
187 HD3 ARG 21 3HD ARG 21 -8.441 2.364 -0.966
188 HE ARG 21 HE ARG 21 -7.582 5.198 -1.110
189 HH11 ARG 21 1HH1 ARG 21 -10.105 2.835 -0.402
190 HH12 ARG 21 2HH1 ARG 21 -11.283 4.043 0.011
191 HH21 ARG 21 1HH2 ARG 21 -9.130 6.768 -0.565
192 HH22 ARG 21 2HH2 ARG 21 -10.730 6.276 -0.079
193 H CYS 22 H CYS 22 -5.074 -1.045 1.952
194 HA CYS 22 HA CYS 22 -3.350 -2.983 0.652
195 HB2 CYS 22 2HB CYS 22 -5.316 -3.439 2.942
196 HB3 CYS 22 3HB CYS 22 -3.894 -4.400 2.548
197 H ASP 23 H ASP 23 -4.047 -4.702 -0.701
198 HA ASP 23 HA ASP 23 -6.764 -5.653 -0.557
199 HB2 ASP 23 2HB ASP 23 -6.714 -3.569 -2.192
200 HB3 ASP 23 3HB ASP 23 -6.019 -4.706 -3.343
201 H GLU 24 H GLU 24 -6.693 -7.756 -0.743
202 HA GLU 24 HA GLU 24 -4.387 -9.175 -1.845
203 HB2 GLU 24 2HB GLU 24 -5.392 -11.166 -0.775
204 HB3 GLU 24 3HB GLU 24 -5.261 -9.830 0.366
205 HG2 GLU 24 2HG GLU 24 -7.655 -9.340 0.108
206 HG3 GLU 24 3HG GLU 24 -7.798 -10.619 -1.094
207 H SER 25 H SER 25 -7.736 -8.547 -2.662
208 HA SER 25 HA SER 25 -8.097 -10.740 -4.494
209 HB2 SER 25 2HB SER 25 -10.006 -9.674 -3.316
210 HB3 SER 25 3HB SER 25 -9.710 -8.164 -4.179
211 HG SER 25 HG SER 25 -10.495 -9.028 -5.988
212 H ASN 26 H ASN 26 -7.367 -7.318 -4.749
213 HA ASN 26 HA ASN 26 -7.077 -7.137 -7.589
214 HB2 ASN 26 2HB ASN 26 -7.613 -5.237 -5.963
215 HB3 ASN 26 3HB ASN 26 -5.951 -5.310 -5.402
216 HD21 ASN 26 1HD2 ASN 26 -7.328 -3.076 -6.521
217 HD22 ASN 26 2HD2 ASN 26 -6.465 -2.596 -7.941
218 H HIS 27 H HIS 27 -5.050 -7.977 -4.861
219 HA HIS 27 HA HIS 27 -2.946 -8.725 -4.554
220 HB2 HIS 27 2HB HIS 27 -2.975 -9.198 -7.567
221 HB3 HIS 27 3HB HIS 27 -1.632 -9.665 -6.535
222 HD1 HIS 27 HD1 HIS 27 -1.932 -11.753 -5.053
223 HD2 HIS 27 HD2 HIS 27 -5.297 -10.784 -7.303
224 HE1 HIS 27 HE1 HIS 27 -3.477 -13.736 -4.869
225 HE2 HIS 27 HE2 HIS 27 -5.550 -13.053 -6.101
226 H CYS 28 H CYS 28 -3.596 -5.876 -5.166
227 HA CYS 28 HA CYS 28 -0.865 -4.883 -5.581
228 HB2 CYS 28 2HB CYS 28 -3.288 -3.971 -7.169
229 HB3 CYS 28 3HB CYS 28 -1.766 -3.083 -7.104
230 H VAL 29 H VAL 29 -0.388 -3.115 -4.466
231 HA VAL 29 HA VAL 29 -2.314 -1.961 -2.576
232 HB VAL 29 HB VAL 29 0.725 -1.647 -2.788
233 HG11 VAL 29 1HG1 VAL 29 -0.305 0.321 -1.710
234 HG12 VAL 29 2HG1 VAL 29 0.634 -0.621 -0.551
235 HG13 VAL 29 3HG1 VAL 29 -1.129 -0.731 -0.554
236 HG21 VAL 29 1HG2 VAL 29 -0.925 -3.320 -0.864
237 HG22 VAL 29 2HG2 VAL 29 0.832 -3.134 -0.831
238 HG23 VAL 29 3HG2 VAL 29 0.057 -3.933 -2.199
239 H GLU 30 H GLU 30 -3.377 -0.176 -3.308
240 HA GLU 30 HA GLU 30 -2.152 1.597 -5.302
241 HB2 GLU 30 2HB GLU 30 -4.532 0.966 -5.597
242 HB3 GLU 30 3HB GLU 30 -4.924 1.659 -4.027
243 HG2 GLU 30 2HG GLU 30 -5.592 3.192 -5.769
244 HG3 GLU 30 3HG GLU 30 -4.258 3.904 -4.865
245 H VAL 31 H VAL 31 -0.806 3.087 -4.502
246 HA VAL 31 HA VAL 31 -1.301 4.328 -1.858
247 HB VAL 31 HB VAL 31 1.265 4.449 -3.520
248 HG11 VAL 31 1HG1 VAL 31 1.052 6.311 -1.968
249 HG12 VAL 31 2HG1 VAL 31 2.301 5.209 -1.390
250 HG13 VAL 31 3HG1 VAL 31 0.708 5.211 -0.631
251 HG21 VAL 31 1HG2 VAL 31 2.226 2.780 -1.991
252 HG22 VAL 31 2HG2 VAL 31 0.849 2.120 -2.875
253 HG23 VAL 31 3HG2 VAL 31 0.662 2.602 -1.184
254 H ARG 32 H ARG 32 -2.548 6.090 -2.181
255 HA ARG 32 HA ARG 32 -2.088 7.917 -4.426
256 HB2 ARG 32 2HB ARG 32 -4.420 7.183 -3.936
257 HB3 ARG 32 3HB ARG 32 -4.302 7.883 -2.322
258 HG2 ARG 32 2HG ARG 32 -3.954 10.132 -3.377
259 HG3 ARG 32 3HG ARG 32 -4.205 9.384 -4.953
260 HD2 ARG 32 2HD ARG 32 -6.219 9.546 -2.696
261 HD3 ARG 32 3HD ARG 32 -6.257 10.467 -4.200
262 HE ARG 32 HE ARG 32 -6.784 7.583 -3.880
263 HH11 ARG 32 1HH1 ARG 32 -6.880 10.436 -5.953
264 HH12 ARG 32 2HH1 ARG 32 -7.858 9.667 -7.163
265 HH21 ARG 32 1HH2 ARG 32 -8.026 6.591 -5.466
266 HH22 ARG 32 2HH2 ARG 32 -8.512 7.470 -6.884
267 H CYS 33 H CYS 33 -0.082 8.844 -3.659
268 HA CYS 33 HA CYS 33 0.125 10.280 -1.230
269 HB2 CYS 33 2HB CYS 33 1.597 10.597 -3.867
270 HB3 CYS 33 3HB CYS 33 1.987 11.546 -2.433
271 H SER 34 H SER 34 -0.196 11.811 -4.496
272 HA SER 34 HA SER 34 -2.685 13.028 -4.019
273 HB2 SER 34 2HB SER 34 -1.411 14.452 -2.393
274 HB3 SER 34 3HB SER 34 -0.357 14.999 -3.698
275 HG SER 34 HG SER 34 -3.167 15.409 -3.464
276 H ASP 35 H ASP 35 0.363 14.068 -5.520
277 HA ASP 35 HA ASP 35 -0.934 14.906 -7.960
278 HB2 ASP 35 2HB ASP 35 0.808 16.312 -7.034
279 HB3 ASP 35 3HB ASP 35 1.940 14.971 -6.938
280 H THR 36 H THR 36 1.116 12.252 -6.886
281 HA THR 36 HA THR 36 1.676 11.336 -9.608
282 HB THR 36 HB THR 36 2.769 10.418 -6.912
283 HG1 THR 36 HG1 THR 36 3.461 12.423 -8.712
284 HG21 THR 36 1HG2 THR 36 3.647 9.651 -9.728
285 HG22 THR 36 2HG2 THR 36 2.951 8.573 -8.513
286 HG23 THR 36 3HG2 THR 36 4.540 9.290 -8.249
287 H LYS 37 H LYS 37 0.673 9.738 -6.538
288 HA LYS 37 HA LYS 37 -0.429 7.852 -6.027
289 HB2 LYS 37 2HB LYS 37 -2.372 9.183 -6.914
290 HB3 LYS 37 3HB LYS 37 -2.154 8.405 -8.478
291 HG2 LYS 37 2HG LYS 37 -2.377 6.168 -6.990
292 HG3 LYS 37 3HG LYS 37 -3.218 7.266 -5.903
293 HD2 LYS 37 2HD LYS 37 -4.828 6.135 -7.326
294 HD3 LYS 37 3HD LYS 37 -4.791 7.852 -7.745
295 HE2 LYS 37 2HE LYS 37 -4.867 6.386 -9.741
296 HE3 LYS 37 3HE LYS 37 -3.406 7.371 -9.707
297 HZ1 LYS 37 1HZ LYS 37 -2.328 5.326 -8.651
298 HZ2 LYS 37 2HZ LYS 37 -2.687 5.246 -10.295
299 HZ3 LYS 37 3HZ LYS 37 -3.686 4.470 -9.178
300 H TYR 38 H TYR 38 0.733 6.020 -6.194
301 HA TYR 38 HA TYR 38 1.241 4.782 -8.836
302 HB2 TYR 38 2HB TYR 38 3.468 4.008 -7.756
303 HB3 TYR 38 3HB TYR 38 3.349 5.689 -8.237
304 HD1 TYR 38 HD1 TYR 38 3.479 3.412 -5.315
305 HD2 TYR 38 HD2 TYR 38 3.377 7.490 -6.579
306 HE1 TYR 38 HE1 TYR 38 4.085 4.109 -3.053
307 HE2 TYR 38 HE2 TYR 38 4.018 8.196 -4.313
308 HH TYR 38 HH TYR 38 3.916 7.354 -2.033
309 H THR 39 H THR 39 1.331 2.508 -8.873
310 HA THR 39 HA THR 39 -0.018 1.156 -6.596
311 HB THR 39 HB THR 39 -0.226 0.338 -9.537
312 HG1 THR 39 HG1 THR 39 -1.693 2.226 -8.044
313 HG21 THR 39 1HG2 THR 39 -1.931 -0.352 -7.114
314 HG22 THR 39 2HG2 THR 39 -0.772 -1.432 -7.894
315 HG23 THR 39 3HG2 THR 39 -2.206 -0.904 -8.773
316 H LEU 40 H LEU 40 1.302 -0.286 -5.628
317 HA LEU 40 HA LEU 40 3.570 -1.483 -7.078
318 HB2 LEU 40 2HB LEU 40 2.950 -1.108 -4.132
319 HB3 LEU 40 3HB LEU 40 4.096 -2.340 -4.645
320 HG LEU 40 HG LEU 40 5.354 -0.448 -5.866
321 HD11 LEU 40 1HD1 LEU 40 5.028 1.814 -5.029
322 HD12 LEU 40 2HD1 LEU 40 3.629 1.280 -4.096
323 HD13 LEU 40 3HD1 LEU 40 3.596 1.211 -5.860
324 HD21 LEU 40 1HD2 LEU 40 5.254 -0.422 -2.835
325 HD22 LEU 40 2HD2 LEU 40 6.559 0.233 -3.829
326 HD23 LEU 40 3HD2 LEU 40 6.226 -1.498 -3.844
327 H CYS 41 H CYS 41 3.340 -3.422 -7.906
328 HA CYS 41 HA CYS 41 1.353 -5.348 -6.841
329 HB2 CYS 41 2HB CYS 41 2.089 -4.819 -9.762
330 HB3 CYS 41 3HB CYS 41 1.008 -6.097 -9.205
Start of MODEL 11
1 H1 SER 1 1H SER 1 -0.870 -17.954 3.472
2 H2 SER 1 2H SER 1 -1.469 -16.649 4.366
3 H3 SER 1 3H SER 1 0.164 -16.704 3.948
4 HA SER 1 HA SER 1 -0.350 -16.497 1.642
5 HB2 SER 1 2HB SER 1 -3.257 -16.327 2.555
6 HB3 SER 1 3HB SER 1 -2.681 -16.172 0.894
7 HG SER 1 HG SER 1 -3.491 -18.291 1.484
8 H GLN 2 H GLN 2 0.933 -14.723 2.084
9 HA GLN 2 HA GLN 2 -0.376 -12.148 2.495
10 HB2 GLN 2 2HB GLN 2 0.139 -12.934 4.809
11 HB3 GLN 2 3HB GLN 2 1.828 -13.154 4.369
12 HG2 GLN 2 2HG GLN 2 2.007 -10.703 3.961
13 HG3 GLN 2 3HG GLN 2 0.331 -10.523 4.468
14 HE21 GLN 2 1HE2 GLN 2 3.593 -11.164 5.539
15 HE22 GLN 2 2HE2 GLN 2 3.290 -10.944 7.226
16 H GLU 3 H GLU 3 0.246 -11.702 0.392
17 HA GLU 3 HA GLU 3 3.140 -11.532 -0.275
18 HB2 GLU 3 2HB GLU 3 0.752 -11.223 -2.157
19 HB3 GLU 3 3HB GLU 3 2.438 -11.449 -2.614
20 HG2 GLU 3 2HG GLU 3 2.397 -13.751 -2.004
21 HG3 GLU 3 3HG GLU 3 0.884 -13.574 -1.115
22 H THR 4 H THR 4 0.201 -9.840 -1.129
23 HA THR 4 HA THR 4 1.430 -7.241 -1.329
24 HB THR 4 HB THR 4 -0.076 -7.832 -3.071
25 HG1 THR 4 HG1 THR 4 -1.986 -6.261 -2.276
26 HG21 THR 4 1HG2 THR 4 -2.181 -8.412 -0.966
27 HG22 THR 4 2HG2 THR 4 -1.345 -9.605 -1.966
28 HG23 THR 4 3HG2 THR 4 -2.440 -8.439 -2.709
29 H ARG 5 H ARG 5 -0.517 -8.983 0.960
30 HA ARG 5 HA ARG 5 -1.535 -6.879 2.546
31 HB2 ARG 5 2HB ARG 5 -0.616 -9.633 3.464
32 HB3 ARG 5 3HB ARG 5 -1.676 -8.547 4.360
33 HG2 ARG 5 2HG ARG 5 -3.452 -8.849 2.764
34 HG3 ARG 5 3HG ARG 5 -2.392 -9.746 1.669
35 HD2 ARG 5 2HD ARG 5 -3.911 -11.221 2.988
36 HD3 ARG 5 3HD ARG 5 -2.205 -11.578 3.259
37 HE ARG 5 HE ARG 5 -3.630 -9.810 5.143
38 HH11 ARG 5 1HH1 ARG 5 -2.068 -12.934 4.605
39 HH12 ARG 5 2HH1 ARG 5 -1.987 -13.313 6.294
40 HH21 ARG 5 1HH2 ARG 5 -3.475 -10.319 7.347
41 HH22 ARG 5 2HH2 ARG 5 -2.785 -11.830 7.848
42 H LYS 6 H LYS 6 1.561 -8.691 2.731
43 HA LYS 6 HA LYS 6 2.639 -7.283 4.959
44 HB2 LYS 6 2HB LYS 6 4.624 -8.502 4.659
45 HB3 LYS 6 3HB LYS 6 3.433 -9.562 3.940
46 HG2 LYS 6 2HG LYS 6 4.995 -9.718 2.280
47 HG3 LYS 6 3HG LYS 6 4.193 -8.256 1.701
48 HD2 LYS 6 2HD LYS 6 5.991 -6.981 3.154
49 HD3 LYS 6 3HD LYS 6 6.853 -8.524 3.145
50 HE2 LYS 6 2HE LYS 6 6.698 -8.429 0.595
51 HE3 LYS 6 3HE LYS 6 6.142 -6.759 0.785
52 HZ1 LYS 6 1HZ LYS 6 8.725 -7.822 1.814
53 HZ2 LYS 6 2HZ LYS 6 8.210 -6.214 1.875
54 HZ3 LYS 6 3HZ LYS 6 8.546 -6.939 0.385
55 H LYS 7 H LYS 7 2.636 -6.699 1.492
56 HA LYS 7 HA LYS 7 4.524 -4.550 1.491
57 HB2 LYS 7 2HB LYS 7 4.112 -5.877 -0.536
58 HB3 LYS 7 3HB LYS 7 2.431 -5.351 -0.574
59 HG2 LYS 7 2HG LYS 7 3.080 -3.070 -1.086
60 HG3 LYS 7 3HG LYS 7 4.788 -3.445 -0.833
61 HD2 LYS 7 2HD LYS 7 3.051 -4.649 -3.026
62 HD3 LYS 7 3HD LYS 7 4.131 -3.269 -3.240
63 HE2 LYS 7 2HE LYS 7 4.995 -6.072 -2.438
64 HE3 LYS 7 3HE LYS 7 5.154 -5.361 -4.045
65 HZ1 LYS 7 1HZ LYS 7 6.647 -3.704 -3.144
66 HZ2 LYS 7 2HZ LYS 7 7.220 -5.256 -2.794
67 HZ3 LYS 7 3HZ LYS 7 6.474 -4.341 -1.584
68 H CYS 8 H CYS 8 1.042 -4.792 1.984
69 HA CYS 8 HA CYS 8 0.332 -2.065 1.885
70 HB2 CYS 8 2HB CYS 8 -1.603 -3.300 2.072
71 HB3 CYS 8 3HB CYS 8 -0.848 -4.542 3.051
72 H THR 9 H THR 9 1.403 -4.104 4.621
73 HA THR 9 HA THR 9 1.646 -2.183 6.631
74 HB THR 9 HB THR 9 3.411 -4.630 6.115
75 HG1 THR 9 HG1 THR 9 0.860 -4.292 7.306
76 HG21 THR 9 1HG2 THR 9 4.387 -3.165 7.858
77 HG22 THR 9 2HG2 THR 9 3.779 -4.661 8.563
78 HG23 THR 9 3HG2 THR 9 2.850 -3.170 8.734
79 H GLU 10 H GLU 10 4.029 -3.337 4.294
80 HA GLU 10 HA GLU 10 6.310 -1.914 5.009
81 HB2 GLU 10 2HB GLU 10 6.333 -3.886 3.599
82 HB3 GLU 10 3HB GLU 10 5.354 -3.089 2.376
83 HG2 GLU 10 2HG GLU 10 7.248 -1.564 1.890
84 HG3 GLU 10 3HG GLU 10 8.223 -2.443 3.078
85 H MET 11 H MET 11 3.692 -1.001 2.798
86 HA MET 11 HA MET 11 4.971 1.401 1.825
87 HB2 MET 11 2HB MET 11 2.129 0.366 1.496
88 HB3 MET 11 3HB MET 11 2.704 1.856 0.766
89 HG2 MET 11 2HG MET 11 3.772 -0.911 0.151
90 HG3 MET 11 3HG MET 11 2.600 -0.027 -0.818
91 HE1 MET 11 1HE MET 11 7.132 0.505 -0.845
92 HE2 MET 11 2HE MET 11 6.217 -0.954 -0.470
93 HE3 MET 11 3HE MET 11 6.304 0.362 0.705
94 H LYS 12 H LYS 12 2.569 0.622 4.350
95 HA LYS 12 HA LYS 12 1.816 3.332 4.886
96 HB2 LYS 12 2HB LYS 12 1.631 0.863 6.662
97 HB3 LYS 12 3HB LYS 12 0.989 2.444 7.115
98 HG2 LYS 12 2HG LYS 12 -0.449 2.349 5.039
99 HG3 LYS 12 3HG LYS 12 0.086 0.687 4.819
100 HD2 LYS 12 2HD LYS 12 -0.914 0.049 6.974
101 HD3 LYS 12 3HD LYS 12 -1.377 1.726 7.282
102 HE2 LYS 12 2HE LYS 12 -2.890 1.684 5.351
103 HE3 LYS 12 3HE LYS 12 -2.385 0.037 4.971
104 HZ1 LYS 12 1HZ LYS 12 -3.274 -0.641 7.152
105 HZ2 LYS 12 2HZ LYS 12 -4.457 -0.023 6.120
106 HZ3 LYS 12 3HZ LYS 12 -3.865 0.926 7.384
107 H LYS 13 H LYS 13 4.334 1.198 6.125
108 HA LYS 13 HA LYS 13 5.255 2.638 8.330
109 HB2 LYS 13 2HB LYS 13 6.749 0.802 6.418
110 HB3 LYS 13 3HB LYS 13 7.453 1.413 7.914
111 HG2 LYS 13 2HG LYS 13 5.797 0.233 9.245
112 HG3 LYS 13 3HG LYS 13 4.915 -0.253 7.800
113 HD2 LYS 13 2HD LYS 13 6.220 -2.129 8.664
114 HD3 LYS 13 3HD LYS 13 6.835 -1.640 7.082
115 HE2 LYS 13 2HE LYS 13 8.668 -2.142 8.644
116 HE3 LYS 13 3HE LYS 13 8.697 -0.443 8.175
117 HZ1 LYS 13 1HZ LYS 13 7.582 -1.511 10.719
118 HZ2 LYS 13 2HZ LYS 13 7.653 0.119 10.279
119 HZ3 LYS 13 3HZ LYS 13 9.081 -0.745 10.546
120 H LYS 14 H LYS 14 5.957 3.016 4.921
121 HA LYS 14 HA LYS 14 7.941 5.149 5.307
122 HB2 LYS 14 2HB LYS 14 6.822 3.925 2.737
123 HB3 LYS 14 3HB LYS 14 8.211 5.001 2.850
124 HG2 LYS 14 2HG LYS 14 9.445 3.280 4.108
125 HG3 LYS 14 3HG LYS 14 8.043 2.204 4.022
126 HD2 LYS 14 2HD LYS 14 8.225 2.219 1.531
127 HD3 LYS 14 3HD LYS 14 9.662 3.240 1.656
128 HE2 LYS 14 2HE LYS 14 10.294 0.903 1.300
129 HE3 LYS 14 3HE LYS 14 10.819 1.433 2.901
130 HZ1 LYS 14 1HZ LYS 14 9.827 -0.757 2.983
131 HZ2 LYS 14 2HZ LYS 14 8.394 -0.175 2.302
132 HZ3 LYS 14 3HZ LYS 14 8.867 0.339 3.841
133 H PHE 15 H PHE 15 5.029 4.663 3.369
134 HA PHE 15 HA PHE 15 4.647 7.517 2.926
135 HB2 PHE 15 2HB PHE 15 3.109 5.208 1.671
136 HB3 PHE 15 3HB PHE 15 3.289 6.835 1.042
137 HD1 PHE 15 HD1 PHE 15 4.205 3.600 0.386
138 HD2 PHE 15 HD2 PHE 15 6.037 7.443 0.847
139 HE1 PHE 15 HE1 PHE 15 6.110 2.864 -0.979
140 HE2 PHE 15 HE2 PHE 15 7.932 6.689 -0.524
141 HZ PHE 15 HZ PHE 15 7.968 4.402 -1.439
142 H LYS 16 H LYS 16 4.019 6.736 5.552
143 HA LYS 16 HA LYS 16 1.216 6.477 6.026
144 HB2 LYS 16 2HB LYS 16 1.833 7.394 8.337
145 HB3 LYS 16 3HB LYS 16 2.696 5.945 7.826
146 HG2 LYS 16 2HG LYS 16 4.615 7.427 7.117
147 HG3 LYS 16 3HG LYS 16 3.761 8.787 7.857
148 HD2 LYS 16 2HD LYS 16 3.839 7.617 10.049
149 HD3 LYS 16 3HD LYS 16 4.705 6.273 9.297
150 HE2 LYS 16 2HE LYS 16 6.282 7.724 10.470
151 HE3 LYS 16 3HE LYS 16 6.569 7.824 8.732
152 HZ1 LYS 16 1HZ LYS 16 6.629 10.005 9.754
153 HZ2 LYS 16 2HZ LYS 16 5.067 9.807 10.362
154 HZ3 LYS 16 3HZ LYS 16 5.318 9.905 8.691
155 H ASN 17 H ASN 17 3.144 9.084 4.958
156 HA ASN 17 HA ASN 17 1.266 11.227 5.499
157 HB2 ASN 17 2HB ASN 17 2.839 12.587 4.115
158 HB3 ASN 17 3HB ASN 17 3.682 11.715 5.389
159 HD21 ASN 17 1HD2 ASN 17 4.896 9.811 4.800
160 HD22 ASN 17 2HD2 ASN 17 5.521 9.643 3.198
161 H CYS 18 H CYS 18 1.673 8.777 3.127
162 HA CYS 18 HA CYS 18 -0.154 10.019 1.172
163 HB2 CYS 18 2HB CYS 18 1.498 7.462 1.019
164 HB3 CYS 18 3HB CYS 18 0.482 8.093 -0.269
165 H GLU 19 H GLU 19 -1.847 8.540 0.273
166 HA GLU 19 HA GLU 19 -3.299 7.118 2.392
167 HB2 GLU 19 2HB GLU 19 -4.408 8.876 0.948
168 HB3 GLU 19 3HB GLU 19 -4.172 7.832 -0.437
169 HG2 GLU 19 2HG GLU 19 -5.698 6.167 0.483
170 HG3 GLU 19 3HG GLU 19 -5.860 7.096 1.976
171 H VAL 20 H VAL 20 -1.937 5.288 2.503
172 HA VAL 20 HA VAL 20 -1.413 3.592 0.186
173 HB VAL 20 HB VAL 20 -0.894 3.207 3.184
174 HG11 VAL 20 1HG1 VAL 20 -1.168 0.989 2.137
175 HG12 VAL 20 2HG1 VAL 20 0.519 1.261 2.574
176 HG13 VAL 20 3HG1 VAL 20 0.007 1.415 0.889
177 HG21 VAL 20 1HG2 VAL 20 1.459 3.621 2.600
178 HG22 VAL 20 2HG2 VAL 20 0.450 4.985 2.119
179 HG23 VAL 20 3HG2 VAL 20 1.016 3.837 0.903
180 H ARG 21 H ARG 21 -3.101 2.452 -0.582
181 HA ARG 21 HA ARG 21 -5.273 1.488 1.141
182 HB2 ARG 21 2HB ARG 21 -5.109 1.836 -1.883
183 HB3 ARG 21 3HB ARG 21 -6.498 1.132 -1.049
184 HG2 ARG 21 2HG ARG 21 -6.803 3.257 0.195
185 HG3 ARG 21 3HG ARG 21 -5.443 3.963 -0.686
186 HD2 ARG 21 2HD ARG 21 -6.657 3.847 -2.776
187 HD3 ARG 21 3HD ARG 21 -7.944 2.879 -2.043
188 HE ARG 21 HE ARG 21 -7.427 5.746 -1.595
189 HH11 ARG 21 1HH1 ARG 21 -9.616 2.991 -1.253
190 HH12 ARG 21 2HH1 ARG 21 -10.939 3.973 -0.730
191 HH21 ARG 21 1HH2 ARG 21 -9.165 6.979 -0.857
192 HH22 ARG 21 2HH2 ARG 21 -10.689 6.227 -0.504
193 H CYS 22 H CYS 22 -4.974 -0.471 1.893
194 HA CYS 22 HA CYS 22 -3.287 -2.475 0.720
195 HB2 CYS 22 2HB CYS 22 -5.264 -2.764 3.015
196 HB3 CYS 22 3HB CYS 22 -3.831 -3.746 2.698
197 H ASP 23 H ASP 23 -3.940 -4.475 -0.141
198 HA ASP 23 HA ASP 23 -6.679 -5.204 -0.672
199 HB2 ASP 23 2HB ASP 23 -6.524 -3.484 -2.400
200 HB3 ASP 23 3HB ASP 23 -4.942 -4.063 -2.913
201 H GLU 24 H GLU 24 -6.811 -7.337 -1.542
202 HA GLU 24 HA GLU 24 -4.387 -8.638 -2.541
203 HB2 GLU 24 2HB GLU 24 -4.560 -10.602 -1.159
204 HB3 GLU 24 3HB GLU 24 -4.511 -9.196 -0.099
205 HG2 GLU 24 2HG GLU 24 -7.037 -9.368 0.085
206 HG3 GLU 24 3HG GLU 24 -6.932 -10.901 -0.783
207 H SER 25 H SER 25 -7.390 -7.740 -3.187
208 HA SER 25 HA SER 25 -8.559 -10.118 -4.321
209 HB2 SER 25 2HB SER 25 -9.236 -7.201 -4.911
210 HB3 SER 25 3HB SER 25 -10.275 -8.607 -5.180
211 HG SER 25 HG SER 25 -10.116 -7.111 -3.024
212 H ASN 26 H ASN 26 -7.230 -7.116 -5.775
213 HA ASN 26 HA ASN 26 -6.543 -8.443 -8.292
214 HB2 ASN 26 2HB ASN 26 -7.361 -6.076 -8.271
215 HB3 ASN 26 3HB ASN 26 -5.944 -5.601 -7.340
216 HD21 ASN 26 1HD2 ASN 26 -4.974 -4.273 -8.811
217 HD22 ASN 26 2HD2 ASN 26 -4.425 -4.761 -10.372
218 H HIS 27 H HIS 27 -5.167 -7.871 -5.225
219 HA HIS 27 HA HIS 27 -3.234 -8.383 -4.206
220 HB2 HIS 27 2HB HIS 27 -2.300 -9.585 -6.860
221 HB3 HIS 27 3HB HIS 27 -1.430 -9.714 -5.340
222 HD1 HIS 27 HD1 HIS 27 -1.863 -11.829 -4.086
223 HD2 HIS 27 HD2 HIS 27 -4.989 -10.898 -6.673
224 HE1 HIS 27 HE1 HIS 27 -3.467 -13.753 -3.934
225 HE2 HIS 27 HE2 HIS 27 -5.344 -13.167 -5.503
226 H CYS 28 H CYS 28 -3.671 -5.834 -4.987
227 HA CYS 28 HA CYS 28 -0.995 -4.779 -5.621
228 HB2 CYS 28 2HB CYS 28 -3.518 -4.165 -7.193
229 HB3 CYS 28 3HB CYS 28 -2.088 -3.140 -7.253
230 H VAL 29 H VAL 29 -0.466 -3.201 -4.282
231 HA VAL 29 HA VAL 29 -2.436 -1.857 -2.582
232 HB VAL 29 HB VAL 29 0.629 -1.750 -2.573
233 HG11 VAL 29 1HG1 VAL 29 0.437 -0.700 -0.337
234 HG12 VAL 29 2HG1 VAL 29 -1.321 -0.651 -0.506
235 HG13 VAL 29 3HG1 VAL 29 -0.302 0.304 -1.587
236 HG21 VAL 29 1HG2 VAL 29 -0.229 -3.989 -1.973
237 HG22 VAL 29 2HG2 VAL 29 -1.249 -3.273 -0.720
238 HG23 VAL 29 3HG2 VAL 29 0.510 -3.197 -0.578
239 H GLU 30 H GLU 30 -3.353 -0.069 -3.417
240 HA GLU 30 HA GLU 30 -1.997 1.698 -5.320
241 HB2 GLU 30 2HB GLU 30 -4.355 1.224 -5.772
242 HB3 GLU 30 3HB GLU 30 -4.817 1.719 -4.145
243 HG2 GLU 30 2HG GLU 30 -4.031 4.057 -4.720
244 HG3 GLU 30 3HG GLU 30 -3.774 3.502 -6.372
245 H VAL 31 H VAL 31 -0.600 3.120 -4.410
246 HA VAL 31 HA VAL 31 -1.202 4.363 -1.801
247 HB VAL 31 HB VAL 31 1.365 4.535 -3.440
248 HG11 VAL 31 1HG1 VAL 31 2.407 5.281 -1.322
249 HG12 VAL 31 2HG1 VAL 31 0.827 5.240 -0.531
250 HG13 VAL 31 3HG1 VAL 31 1.124 6.372 -1.853
251 HG21 VAL 31 1HG2 VAL 31 0.982 2.190 -2.849
252 HG22 VAL 31 2HG2 VAL 31 0.772 2.625 -1.146
253 HG23 VAL 31 3HG2 VAL 31 2.340 2.849 -1.933
254 H ARG 32 H ARG 32 -2.429 6.102 -2.086
255 HA ARG 32 HA ARG 32 -2.107 7.907 -4.394
256 HB2 ARG 32 2HB ARG 32 -4.336 6.843 -4.060
257 HB3 ARG 32 3HB ARG 32 -4.431 7.546 -2.447
258 HG2 ARG 32 2HG ARG 32 -4.441 9.824 -3.467
259 HG3 ARG 32 3HG ARG 32 -4.393 9.084 -5.068
260 HD2 ARG 32 2HD ARG 32 -6.616 8.899 -3.007
261 HD3 ARG 32 3HD ARG 32 -6.687 9.663 -4.597
262 HE ARG 32 HE ARG 32 -6.183 7.168 -5.333
263 HH11 ARG 32 1HH1 ARG 32 -8.481 8.265 -2.886
264 HH12 ARG 32 2HH1 ARG 32 -9.541 6.913 -3.127
265 HH21 ARG 32 1HH2 ARG 32 -7.557 5.397 -5.572
266 HH22 ARG 32 2HH2 ARG 32 -9.017 5.293 -4.644
267 H CYS 33 H CYS 33 -0.267 8.991 -3.476
268 HA CYS 33 HA CYS 33 -0.274 10.305 -0.966
269 HB2 CYS 33 2HB CYS 33 1.298 10.960 -3.485
270 HB3 CYS 33 3HB CYS 33 1.652 11.586 -1.874
271 H SER 34 H SER 34 -0.669 11.700 -4.220
272 HA SER 34 HA SER 34 -3.149 12.847 -3.971
273 HB2 SER 34 2HB SER 34 -2.586 15.343 -3.822
274 HB3 SER 34 3HB SER 34 -2.364 14.463 -2.312
275 HG SER 34 HG SER 34 -0.618 15.979 -3.383
276 H ASP 35 H ASP 35 -0.033 14.065 -5.106
277 HA ASP 35 HA ASP 35 -0.976 14.674 -7.774
278 HB2 ASP 35 2HB ASP 35 0.558 16.195 -6.621
279 HB3 ASP 35 3HB ASP 35 1.727 14.904 -6.373
280 H THR 36 H THR 36 1.108 12.260 -6.226
281 HA THR 36 HA THR 36 2.185 11.233 -8.708
282 HB THR 36 HB THR 36 3.294 9.526 -7.148
283 HG1 THR 36 HG1 THR 36 3.096 10.676 -4.846
284 HG21 THR 36 1HG2 THR 36 4.486 11.583 -7.830
285 HG22 THR 36 2HG2 THR 36 4.874 11.157 -6.164
286 HG23 THR 36 3HG2 THR 36 3.740 12.470 -6.493
287 H LYS 37 H LYS 37 0.598 9.415 -6.043
288 HA LYS 37 HA LYS 37 -0.858 7.689 -5.973
289 HB2 LYS 37 2HB LYS 37 -2.410 9.370 -6.958
290 HB3 LYS 37 3HB LYS 37 -1.928 8.873 -8.574
291 HG2 LYS 37 2HG LYS 37 -2.853 6.556 -8.006
292 HG3 LYS 37 3HG LYS 37 -3.523 7.276 -6.540
293 HD2 LYS 37 2HD LYS 37 -4.178 8.067 -9.412
294 HD3 LYS 37 3HD LYS 37 -5.233 7.172 -8.314
295 HE2 LYS 37 2HE LYS 37 -5.355 9.154 -6.832
296 HE3 LYS 37 3HE LYS 37 -4.290 10.041 -7.924
297 HZ1 LYS 37 1HZ LYS 37 -5.981 9.799 -9.663
298 HZ2 LYS 37 2HZ LYS 37 -6.569 10.637 -8.320
299 HZ3 LYS 37 3HZ LYS 37 -7.004 9.021 -8.567
300 H TYR 38 H TYR 38 0.600 6.000 -6.174
301 HA TYR 38 HA TYR 38 1.053 4.798 -8.848
302 HB2 TYR 38 2HB TYR 38 3.364 4.127 -7.921
303 HB3 TYR 38 3HB TYR 38 3.141 5.816 -8.313
304 HD1 TYR 38 HD1 TYR 38 3.375 3.419 -5.496
305 HD2 TYR 38 HD2 TYR 38 3.340 7.537 -6.612
306 HE1 TYR 38 HE1 TYR 38 4.064 4.011 -3.232
307 HE2 TYR 38 HE2 TYR 38 4.064 8.150 -4.340
308 HH TYR 38 HH TYR 38 5.209 5.825 -2.116
309 H THR 39 H THR 39 1.215 2.515 -8.919
310 HA THR 39 HA THR 39 -0.039 1.114 -6.615
311 HB THR 39 HB THR 39 -0.400 0.566 -9.598
312 HG1 THR 39 HG1 THR 39 -1.758 2.106 -7.779
313 HG21 THR 39 1HG2 THR 39 -0.472 -1.545 -8.315
314 HG22 THR 39 2HG2 THR 39 -2.084 -1.117 -8.890
315 HG23 THR 39 3HG2 THR 39 -1.653 -0.837 -7.205
316 H LEU 40 H LEU 40 1.331 -0.267 -5.689
317 HA LEU 40 HA LEU 40 3.485 -1.578 -7.216
318 HB2 LEU 40 2HB LEU 40 3.036 -1.159 -4.238
319 HB3 LEU 40 3HB LEU 40 4.180 -2.351 -4.833
320 HG LEU 40 HG LEU 40 5.339 -0.405 -6.063
321 HD11 LEU 40 1HD1 LEU 40 5.029 1.837 -5.144
322 HD12 LEU 40 2HD1 LEU 40 3.666 1.258 -4.180
323 HD13 LEU 40 3HD1 LEU 40 3.572 1.245 -5.943
324 HD21 LEU 40 1HD2 LEU 40 6.306 -1.486 -4.097
325 HD22 LEU 40 2HD2 LEU 40 5.363 -0.443 -3.029
326 HD23 LEU 40 3HD2 LEU 40 6.616 0.250 -4.064
327 H CYS 41 H CYS 41 3.298 -3.672 -7.728
328 HA CYS 41 HA CYS 41 1.301 -5.390 -6.363
329 HB2 CYS 41 2HB CYS 41 2.016 -5.423 -9.327
330 HB3 CYS 41 3HB CYS 41 0.837 -6.464 -8.530
Start of MODEL 12
1 H1 SER 1 1H SER 1 4.172 -15.473 -3.073
2 H2 SER 1 2H SER 1 4.776 -14.323 -1.998
3 H3 SER 1 3H SER 1 3.305 -14.048 -2.777
4 HA SER 1 HA SER 1 2.297 -15.880 -1.619
5 HB2 SER 1 2HB SER 1 5.036 -16.107 -0.279
6 HB3 SER 1 3HB SER 1 3.612 -17.052 0.163
7 HG SER 1 HG SER 1 4.036 -18.353 -1.426
8 H GLN 2 H GLN 2 0.915 -14.407 -0.738
9 HA GLN 2 HA GLN 2 -0.112 -12.980 0.689
10 HB2 GLN 2 2HB GLN 2 0.657 -14.687 2.329
11 HB3 GLN 2 3HB GLN 2 2.159 -13.808 2.548
12 HG2 GLN 2 2HG GLN 2 1.019 -11.993 3.672
13 HG3 GLN 2 3HG GLN 2 -0.563 -12.669 3.286
14 HE21 GLN 2 1HE2 GLN 2 0.696 -12.013 5.882
15 HE22 GLN 2 2HE2 GLN 2 0.597 -13.455 6.820
16 H GLU 3 H GLU 3 2.198 -12.043 -1.068
17 HA GLU 3 HA GLU 3 3.730 -10.116 0.356
18 HB2 GLU 3 2HB GLU 3 4.496 -11.324 -1.734
19 HB3 GLU 3 3HB GLU 3 3.416 -10.290 -2.669
20 HG2 GLU 3 2HG GLU 3 4.664 -8.285 -1.917
21 HG3 GLU 3 3HG GLU 3 5.713 -9.303 -0.931
22 H THR 4 H THR 4 0.793 -9.938 -1.582
23 HA THR 4 HA THR 4 0.729 -7.148 -1.976
24 HB THR 4 HB THR 4 -0.605 -8.730 -3.330
25 HG1 THR 4 HG1 THR 4 -2.138 -6.752 -1.962
26 HG21 THR 4 1HG2 THR 4 -1.364 -10.281 -1.550
27 HG22 THR 4 2HG2 THR 4 -2.712 -9.672 -2.518
28 HG23 THR 4 3HG2 THR 4 -2.413 -9.018 -0.904
29 H ARG 5 H ARG 5 -0.251 -9.126 0.786
30 HA ARG 5 HA ARG 5 -1.706 -7.022 2.134
31 HB2 ARG 5 2HB ARG 5 -0.590 -9.642 3.217
32 HB3 ARG 5 3HB ARG 5 -1.621 -8.536 4.120
33 HG2 ARG 5 2HG ARG 5 -3.435 -8.921 2.449
34 HG3 ARG 5 3HG ARG 5 -2.403 -10.112 1.647
35 HD2 ARG 5 2HD ARG 5 -2.319 -11.457 3.704
36 HD3 ARG 5 3HD ARG 5 -3.289 -10.255 4.558
37 HE ARG 5 HE ARG 5 -4.771 -11.084 2.363
38 HH11 ARG 5 1HH1 ARG 5 -3.471 -12.539 5.315
39 HH12 ARG 5 2HH1 ARG 5 -4.734 -13.724 5.422
40 HH21 ARG 5 1HH2 ARG 5 -6.394 -12.642 2.532
41 HH22 ARG 5 2HH2 ARG 5 -6.387 -13.781 3.841
42 H LYS 6 H LYS 6 1.537 -8.524 2.533
43 HA LYS 6 HA LYS 6 2.258 -6.974 4.828
44 HB2 LYS 6 2HB LYS 6 4.359 -8.126 4.785
45 HB3 LYS 6 3HB LYS 6 3.183 -9.284 4.195
46 HG2 LYS 6 2HG LYS 6 4.831 -9.672 2.645
47 HG3 LYS 6 3HG LYS 6 4.003 -8.360 1.806
48 HD2 LYS 6 2HD LYS 6 5.764 -6.842 3.196
49 HD3 LYS 6 3HD LYS 6 6.682 -8.349 3.222
50 HE2 LYS 6 2HE LYS 6 6.592 -8.417 0.746
51 HE3 LYS 6 3HE LYS 6 5.697 -6.892 0.755
52 HZ1 LYS 6 1HZ LYS 6 7.599 -5.780 1.689
53 HZ2 LYS 6 2HZ LYS 6 8.105 -6.639 0.322
54 HZ3 LYS 6 3HZ LYS 6 8.436 -7.236 1.863
55 H LYS 7 H LYS 7 2.578 -6.528 1.390
56 HA LYS 7 HA LYS 7 4.642 -4.600 1.280
57 HB2 LYS 7 2HB LYS 7 3.911 -5.917 -0.649
58 HB3 LYS 7 3HB LYS 7 2.328 -5.150 -0.627
59 HG2 LYS 7 2HG LYS 7 3.262 -3.034 -1.348
60 HG3 LYS 7 3HG LYS 7 4.914 -3.618 -1.103
61 HD2 LYS 7 2HD LYS 7 2.955 -4.745 -3.144
62 HD3 LYS 7 3HD LYS 7 4.244 -3.600 -3.510
63 HE2 LYS 7 2HE LYS 7 5.927 -5.265 -2.780
64 HE3 LYS 7 3HE LYS 7 4.630 -6.405 -2.411
65 HZ1 LYS 7 1HZ LYS 7 5.725 -6.780 -4.566
66 HZ2 LYS 7 2HZ LYS 7 5.134 -5.287 -5.111
67 HZ3 LYS 7 3HZ LYS 7 4.062 -6.525 -4.689
68 H CYS 8 H CYS 8 1.101 -4.363 1.571
69 HA CYS 8 HA CYS 8 0.803 -1.574 1.439
70 HB2 CYS 8 2HB CYS 8 -1.090 -3.211 1.353
71 HB3 CYS 8 3HB CYS 8 -0.876 -3.517 3.074
72 H THR 9 H THR 9 1.332 -3.741 4.226
73 HA THR 9 HA THR 9 1.318 -1.929 6.343
74 HB THR 9 HB THR 9 3.100 -4.414 6.083
75 HG1 THR 9 HG1 THR 9 1.284 -5.462 5.928
76 HG21 THR 9 1HG2 THR 9 1.823 -3.133 8.542
77 HG22 THR 9 2HG2 THR 9 3.534 -3.034 8.111
78 HG23 THR 9 3HG2 THR 9 2.814 -4.592 8.528
79 H GLU 10 H GLU 10 4.020 -3.086 4.352
80 HA GLU 10 HA GLU 10 6.184 -1.712 5.477
81 HB2 GLU 10 2HB GLU 10 6.422 -3.629 3.979
82 HB3 GLU 10 3HB GLU 10 5.706 -2.727 2.647
83 HG2 GLU 10 2HG GLU 10 7.630 -1.232 2.577
84 HG3 GLU 10 3HG GLU 10 8.339 -2.031 3.983
85 H MET 11 H MET 11 4.034 -0.831 2.791
86 HA MET 11 HA MET 11 5.370 1.589 2.086
87 HB2 MET 11 2HB MET 11 2.570 0.613 1.425
88 HB3 MET 11 3HB MET 11 3.315 2.036 0.714
89 HG2 MET 11 2HG MET 11 4.406 -0.771 0.405
90 HG3 MET 11 3HG MET 11 3.313 -0.008 -0.737
91 HE1 MET 11 1HE MET 11 6.888 0.667 1.046
92 HE2 MET 11 2HE MET 11 7.840 0.631 -0.438
93 HE3 MET 11 3HE MET 11 6.923 -0.793 0.053
94 H LYS 12 H LYS 12 2.869 0.842 4.483
95 HA LYS 12 HA LYS 12 1.942 3.510 4.933
96 HB2 LYS 12 2HB LYS 12 1.966 1.057 6.731
97 HB3 LYS 12 3HB LYS 12 1.211 2.581 7.200
98 HG2 LYS 12 2HG LYS 12 -0.410 2.428 5.450
99 HG3 LYS 12 3HG LYS 12 0.435 1.075 4.693
100 HD2 LYS 12 2HD LYS 12 -0.061 -0.336 6.688
101 HD3 LYS 12 3HD LYS 12 -0.940 1.015 7.416
102 HE2 LYS 12 2HE LYS 12 -2.618 0.940 5.685
103 HE3 LYS 12 3HE LYS 12 -1.672 -0.216 4.744
104 HZ1 LYS 12 1HZ LYS 12 -3.486 -1.282 5.948
105 HZ2 LYS 12 2HZ LYS 12 -2.841 -0.758 7.421
106 HZ3 LYS 12 3HZ LYS 12 -1.982 -1.852 6.467
107 H LYS 13 H LYS 13 4.626 1.619 6.233
108 HA LYS 13 HA LYS 13 5.460 3.395 8.303
109 HB2 LYS 13 2HB LYS 13 7.240 1.469 6.748
110 HB3 LYS 13 3HB LYS 13 7.510 2.082 8.381
111 HG2 LYS 13 2HG LYS 13 5.546 0.830 9.185
112 HG3 LYS 13 3HG LYS 13 5.242 0.249 7.543
113 HD2 LYS 13 2HD LYS 13 7.563 -0.823 7.620
114 HD3 LYS 13 3HD LYS 13 7.606 -0.408 9.337
115 HE2 LYS 13 2HE LYS 13 5.608 -2.241 7.968
116 HE3 LYS 13 3HE LYS 13 6.892 -2.716 9.080
117 HZ1 LYS 13 1HZ LYS 13 5.763 -1.409 10.818
118 HZ2 LYS 13 2HZ LYS 13 4.807 -2.676 10.233
119 HZ3 LYS 13 3HZ LYS 13 4.496 -1.084 9.749
120 H LYS 14 H LYS 14 6.116 3.124 4.901
121 HA LYS 14 HA LYS 14 8.231 5.064 4.706
122 HB2 LYS 14 2HB LYS 14 6.389 3.870 2.579
123 HB3 LYS 14 3HB LYS 14 7.864 4.765 2.257
124 HG2 LYS 14 2HG LYS 14 8.037 2.250 3.899
125 HG3 LYS 14 3HG LYS 14 7.789 2.111 2.161
126 HD2 LYS 14 2HD LYS 14 10.137 1.945 2.626
127 HD3 LYS 14 3HD LYS 14 9.863 3.462 1.792
128 HE2 LYS 14 2HE LYS 14 10.088 4.701 3.871
129 HE3 LYS 14 3HE LYS 14 10.164 3.206 4.798
130 HZ1 LYS 14 1HZ LYS 14 12.249 2.670 3.752
131 HZ2 LYS 14 2HZ LYS 14 12.353 4.209 4.445
132 HZ3 LYS 14 3HZ LYS 14 12.162 4.046 2.773
133 H PHE 15 H PHE 15 4.763 4.961 4.070
134 HA PHE 15 HA PHE 15 4.726 7.781 3.161
135 HB2 PHE 15 2HB PHE 15 3.009 5.498 2.066
136 HB3 PHE 15 3HB PHE 15 3.157 7.113 1.399
137 HD1 PHE 15 HD1 PHE 15 3.858 3.959 0.487
138 HD2 PHE 15 HD2 PHE 15 6.073 7.555 1.199
139 HE1 PHE 15 HE1 PHE 15 5.668 3.136 -0.940
140 HE2 PHE 15 HE2 PHE 15 7.878 6.700 -0.231
141 HZ PHE 15 HZ PHE 15 7.670 4.495 -1.314
142 H LYS 16 H LYS 16 4.424 7.452 5.686
143 HA LYS 16 HA LYS 16 2.015 6.789 6.893
144 HB2 LYS 16 2HB LYS 16 2.738 8.479 8.672
145 HB3 LYS 16 3HB LYS 16 3.924 7.244 8.264
146 HG2 LYS 16 2HG LYS 16 5.176 8.828 6.879
147 HG3 LYS 16 3HG LYS 16 3.967 10.081 7.155
148 HD2 LYS 16 2HD LYS 16 5.672 8.825 9.350
149 HD3 LYS 16 3HD LYS 16 6.052 10.342 8.531
150 HE2 LYS 16 2HE LYS 16 3.891 11.289 9.349
151 HE3 LYS 16 3HE LYS 16 3.598 9.789 10.236
152 HZ1 LYS 16 1HZ LYS 16 5.927 11.595 10.655
153 HZ2 LYS 16 2HZ LYS 16 5.584 10.188 11.531
154 HZ3 LYS 16 3HZ LYS 16 4.554 11.522 11.643
155 H ASN 17 H ASN 17 2.912 9.769 5.213
156 HA ASN 17 HA ASN 17 0.466 11.175 5.973
157 HB2 ASN 17 2HB ASN 17 2.804 12.032 4.212
158 HB3 ASN 17 3HB ASN 17 1.452 13.070 4.659
159 HD21 ASN 17 1HD2 ASN 17 4.279 13.441 5.211
160 HD22 ASN 17 2HD2 ASN 17 4.440 13.552 6.927
161 H CYS 18 H CYS 18 1.272 8.972 3.595
162 HA CYS 18 HA CYS 18 -0.667 10.021 1.619
163 HB2 CYS 18 2HB CYS 18 1.500 7.904 1.265
164 HB3 CYS 18 3HB CYS 18 0.411 8.495 0.014
165 H GLU 19 H GLU 19 -2.065 8.428 0.593
166 HA GLU 19 HA GLU 19 -3.386 6.773 2.599
167 HB2 GLU 19 2HB GLU 19 -4.692 8.440 1.283
168 HB3 GLU 19 3HB GLU 19 -4.255 7.605 -0.204
169 HG2 GLU 19 2HG GLU 19 -5.473 5.591 0.579
170 HG3 GLU 19 3HG GLU 19 -5.947 6.447 2.045
171 H VAL 20 H VAL 20 -1.945 5.028 2.660
172 HA VAL 20 HA VAL 20 -1.298 3.494 0.266
173 HB VAL 20 HB VAL 20 -0.777 2.874 3.223
174 HG11 VAL 20 1HG1 VAL 20 0.355 1.543 0.728
175 HG12 VAL 20 2HG1 VAL 20 -0.784 0.815 1.862
176 HG13 VAL 20 3HG1 VAL 20 0.854 1.200 2.388
177 HG21 VAL 20 1HG2 VAL 20 1.095 4.027 1.135
178 HG22 VAL 20 2HG2 VAL 20 1.528 3.613 2.794
179 HG23 VAL 20 3HG2 VAL 20 0.380 4.916 2.480
180 H ARG 21 H ARG 21 -2.900 2.310 -0.565
181 HA ARG 21 HA ARG 21 -5.209 1.446 1.034
182 HB2 ARG 21 2HB ARG 21 -4.851 1.535 -1.998
183 HB3 ARG 21 3HB ARG 21 -6.358 1.210 -1.140
184 HG2 ARG 21 2HG ARG 21 -6.434 3.475 -0.278
185 HG3 ARG 21 3HG ARG 21 -4.824 3.822 -0.916
186 HD2 ARG 21 2HD ARG 21 -6.623 4.795 -2.310
187 HD3 ARG 21 3HD ARG 21 -5.648 3.626 -3.203
188 HE ARG 21 HE ARG 21 -7.438 2.132 -3.220
189 HH11 ARG 21 1HH1 ARG 21 -8.371 5.101 -1.554
190 HH12 ARG 21 2HH1 ARG 21 -10.069 4.754 -1.635
191 HH21 ARG 21 1HH2 ARG 21 -9.675 1.689 -3.313
192 HH22 ARG 21 2HH2 ARG 21 -10.800 2.825 -2.633
193 H CYS 22 H CYS 22 -4.825 -0.524 1.926
194 HA CYS 22 HA CYS 22 -3.316 -2.649 0.798
195 HB2 CYS 22 2HB CYS 22 -5.499 -2.767 2.935
196 HB3 CYS 22 3HB CYS 22 -4.332 -4.045 2.597
197 H ASP 23 H ASP 23 -3.949 -4.496 -0.270
198 HA ASP 23 HA ASP 23 -6.720 -5.044 -0.929
199 HB2 ASP 23 2HB ASP 23 -6.264 -3.429 -2.695
200 HB3 ASP 23 3HB ASP 23 -4.720 -4.178 -3.078
201 H GLU 24 H GLU 24 -6.994 -7.080 -1.866
202 HA GLU 24 HA GLU 24 -4.777 -8.862 -2.412
203 HB2 GLU 24 2HB GLU 24 -5.628 -10.600 -0.811
204 HB3 GLU 24 3HB GLU 24 -4.964 -9.176 -0.020
205 HG2 GLU 24 2HG GLU 24 -7.236 -8.327 0.414
206 HG3 GLU 24 3HG GLU 24 -7.927 -9.717 -0.419
207 H SER 25 H SER 25 -7.789 -7.654 -3.098
208 HA SER 25 HA SER 25 -9.047 -10.006 -4.219
209 HB2 SER 25 2HB SER 25 -9.633 -7.035 -4.630
210 HB3 SER 25 3HB SER 25 -10.653 -8.364 -5.191
211 HG SER 25 HG SER 25 -9.955 -8.258 -2.489
212 H ASN 26 H ASN 26 -7.583 -7.069 -5.532
213 HA ASN 26 HA ASN 26 -7.205 -8.165 -8.212
214 HB2 ASN 26 2HB ASN 26 -8.020 -5.856 -7.919
215 HB3 ASN 26 3HB ASN 26 -6.608 -5.432 -6.958
216 HD21 ASN 26 1HD2 ASN 26 -4.729 -4.914 -8.002
217 HD22 ASN 26 2HD2 ASN 26 -4.589 -4.748 -9.715
218 H HIS 27 H HIS 27 -5.528 -8.021 -5.248
219 HA HIS 27 HA HIS 27 -3.515 -8.645 -4.478
220 HB2 HIS 27 2HB HIS 27 -3.245 -9.929 -7.225
221 HB3 HIS 27 3HB HIS 27 -2.029 -10.110 -5.966
222 HD1 HIS 27 HD1 HIS 27 -2.442 -11.814 -4.157
223 HD2 HIS 27 HD2 HIS 27 -5.769 -11.233 -6.588
224 HE1 HIS 27 HE1 HIS 27 -4.070 -13.624 -3.532
225 HE2 HIS 27 HE2 HIS 27 -6.066 -13.240 -5.005
226 H CYS 28 H CYS 28 -3.744 -6.041 -5.239
227 HA CYS 28 HA CYS 28 -0.974 -5.317 -5.704
228 HB2 CYS 28 2HB CYS 28 -2.038 -5.503 -8.011
229 HB3 CYS 28 3HB CYS 28 -3.092 -4.165 -7.571
230 H VAL 29 H VAL 29 -0.473 -3.667 -4.420
231 HA VAL 29 HA VAL 29 -2.510 -2.217 -2.916
232 HB VAL 29 HB VAL 29 0.550 -2.206 -2.687
233 HG11 VAL 29 1HG1 VAL 29 -0.351 -0.068 -1.849
234 HG12 VAL 29 2HG1 VAL 29 0.260 -1.046 -0.515
235 HG13 VAL 29 3HG1 VAL 29 -1.478 -0.934 -0.800
236 HG21 VAL 29 1HG2 VAL 29 -1.518 -3.565 -0.931
237 HG22 VAL 29 2HG2 VAL 29 0.227 -3.554 -0.664
238 HG23 VAL 29 3HG2 VAL 29 -0.443 -4.370 -2.077
239 H GLU 30 H GLU 30 -3.278 -0.386 -3.795
240 HA GLU 30 HA GLU 30 -1.615 1.386 -5.426
241 HB2 GLU 30 2HB GLU 30 -3.993 1.142 -6.053
242 HB3 GLU 30 3HB GLU 30 -4.499 1.655 -4.442
243 HG2 GLU 30 2HG GLU 30 -3.462 3.883 -4.846
244 HG3 GLU 30 3HG GLU 30 -3.024 3.372 -6.469
245 H VAL 31 H VAL 31 -0.230 2.740 -4.328
246 HA VAL 31 HA VAL 31 -1.110 3.894 -1.755
247 HB VAL 31 HB VAL 31 1.547 4.314 -3.208
248 HG11 VAL 31 1HG1 VAL 31 0.694 5.047 -0.378
249 HG12 VAL 31 2HG1 VAL 31 0.968 6.172 -1.711
250 HG13 VAL 31 3HG1 VAL 31 2.319 5.257 -1.044
251 HG21 VAL 31 1HG2 VAL 31 1.345 1.969 -2.542
252 HG22 VAL 31 2HG2 VAL 31 0.933 2.453 -0.891
253 HG23 VAL 31 3HG2 VAL 31 2.542 2.793 -1.536
254 H ARG 32 H ARG 32 -2.562 5.377 -2.243
255 HA ARG 32 HA ARG 32 -2.236 7.419 -4.294
256 HB2 ARG 32 2HB ARG 32 -4.451 6.430 -3.707
257 HB3 ARG 32 3HB ARG 32 -4.287 7.029 -2.058
258 HG2 ARG 32 2HG ARG 32 -4.403 9.345 -2.867
259 HG3 ARG 32 3HG ARG 32 -4.454 8.775 -4.540
260 HD2 ARG 32 2HD ARG 32 -6.555 8.361 -2.391
261 HD3 ARG 32 3HD ARG 32 -6.710 9.309 -3.873
262 HE ARG 32 HE ARG 32 -6.094 6.705 -4.655
263 HH11 ARG 32 1HH1 ARG 32 -8.756 8.220 -2.931
264 HH12 ARG 32 2HH1 ARG 32 -9.910 7.036 -3.456
265 HH21 ARG 32 1HH2 ARG 32 -7.593 5.166 -5.292
266 HH22 ARG 32 2HH2 ARG 32 -9.249 5.308 -4.794
267 H CYS 33 H CYS 33 -1.993 9.715 -3.649
268 HA CYS 33 HA CYS 33 -1.575 10.300 -0.817
269 HB2 CYS 33 2HB CYS 33 0.687 9.653 -1.893
270 HB3 CYS 33 3HB CYS 33 0.580 11.177 -2.759
271 H SER 34 H SER 34 -0.615 12.302 -3.616
272 HA SER 34 HA SER 34 -3.069 13.874 -3.498
273 HB2 SER 34 2HB SER 34 -0.343 15.104 -2.848
274 HB3 SER 34 3HB SER 34 -1.834 16.023 -3.098
275 HG SER 34 HG SER 34 -2.534 14.367 -1.297
276 H ASP 35 H ASP 35 0.271 13.794 -4.784
277 HA ASP 35 HA ASP 35 -0.773 14.445 -7.495
278 HB2 ASP 35 2HB ASP 35 1.268 15.826 -7.867
279 HB3 ASP 35 3HB ASP 35 0.272 16.449 -6.557
280 H THR 36 H THR 36 0.847 12.128 -5.677
281 HA THR 36 HA THR 36 2.605 11.224 -7.851
282 HB THR 36 HB THR 36 3.330 9.490 -6.100
283 HG1 THR 36 HG1 THR 36 2.692 10.661 -3.891
284 HG21 THR 36 1HG2 THR 36 3.706 12.421 -5.367
285 HG22 THR 36 2HG2 THR 36 4.688 11.510 -6.513
286 HG23 THR 36 3HG2 THR 36 4.712 11.085 -4.800
287 H LYS 37 H LYS 37 0.605 9.299 -5.593
288 HA LYS 37 HA LYS 37 -0.361 7.304 -5.770
289 HB2 LYS 37 2HB LYS 37 -2.211 8.623 -6.677
290 HB3 LYS 37 3HB LYS 37 -1.583 8.438 -8.314
291 HG2 LYS 37 2HG LYS 37 -1.935 5.975 -8.164
292 HG3 LYS 37 3HG LYS 37 -2.562 6.167 -6.525
293 HD2 LYS 37 2HD LYS 37 -3.821 7.460 -8.974
294 HD3 LYS 37 3HD LYS 37 -4.319 5.889 -8.343
295 HE2 LYS 37 2HE LYS 37 -4.937 6.942 -6.203
296 HE3 LYS 37 3HE LYS 37 -4.434 8.518 -6.828
297 HZ1 LYS 37 1HZ LYS 37 -6.152 8.416 -8.469
298 HZ2 LYS 37 2HZ LYS 37 -6.856 8.110 -6.960
299 HZ3 LYS 37 3HZ LYS 37 -6.563 6.838 -8.036
300 H TYR 38 H TYR 38 0.836 5.601 -6.001
301 HA TYR 38 HA TYR 38 1.676 4.582 -8.640
302 HB2 TYR 38 2HB TYR 38 3.869 3.804 -7.387
303 HB3 TYR 38 3HB TYR 38 3.761 5.451 -7.970
304 HD1 TYR 38 HD1 TYR 38 3.846 3.363 -4.930
305 HD2 TYR 38 HD2 TYR 38 3.481 7.345 -6.445
306 HE1 TYR 38 HE1 TYR 38 4.231 4.250 -2.685
307 HE2 TYR 38 HE2 TYR 38 3.881 8.241 -4.198
308 HH TYR 38 HH TYR 38 5.094 6.427 -1.686
309 H THR 39 H THR 39 1.560 2.338 -8.787
310 HA THR 39 HA THR 39 0.100 1.066 -6.548
311 HB THR 39 HB THR 39 -0.319 0.487 -9.515
312 HG1 THR 39 HG1 THR 39 -0.863 2.704 -8.967
313 HG21 THR 39 1HG2 THR 39 -2.458 -0.477 -8.764
314 HG22 THR 39 2HG2 THR 39 -2.094 -0.039 -7.095
315 HG23 THR 39 3HG2 THR 39 -1.119 -1.253 -7.910
316 H LEU 40 H LEU 40 1.416 -0.321 -5.637
317 HA LEU 40 HA LEU 40 3.513 -1.783 -7.067
318 HB2 LEU 40 2HB LEU 40 3.161 -0.832 -4.210
319 HB3 LEU 40 3HB LEU 40 4.091 -2.297 -4.483
320 HG LEU 40 HG LEU 40 5.554 -0.899 -6.088
321 HD11 LEU 40 1HD1 LEU 40 5.615 1.514 -5.726
322 HD12 LEU 40 2HD1 LEU 40 4.202 1.407 -4.677
323 HD13 LEU 40 3HD1 LEU 40 4.062 1.006 -6.391
324 HD21 LEU 40 1HD2 LEU 40 6.329 -1.654 -3.897
325 HD22 LEU 40 2HD2 LEU 40 5.574 -0.255 -3.126
326 HD23 LEU 40 3HD2 LEU 40 6.924 -0.030 -4.240
327 H CYS 41 H CYS 41 2.658 -3.614 -7.823
328 HA CYS 41 HA CYS 41 0.602 -5.125 -6.472
329 HB2 CYS 41 2HB CYS 41 2.142 -5.736 -9.024
330 HB3 CYS 41 3HB CYS 41 0.701 -6.576 -8.462
Start of MODEL 13
1 H1 SER 1 1H SER 1 -1.943 -15.328 0.021
2 H2 SER 1 2H SER 1 -2.763 -15.520 1.488
3 H3 SER 1 3H SER 1 -2.262 -16.877 0.612
4 HA SER 1 HA SER 1 -0.857 -16.441 2.527
5 HB2 SER 1 2HB SER 1 0.496 -16.069 -0.181
6 HB3 SER 1 3HB SER 1 1.295 -16.622 1.290
7 HG SER 1 HG SER 1 0.605 -18.299 -0.197
8 H GLN 2 H GLN 2 0.851 -15.113 3.420
9 HA GLN 2 HA GLN 2 0.230 -12.312 3.467
10 HB2 GLN 2 2HB GLN 2 0.899 -13.474 5.523
11 HB3 GLN 2 3HB GLN 2 2.453 -13.912 4.823
12 HG2 GLN 2 2HG GLN 2 2.735 -12.058 6.390
13 HG3 GLN 2 3HG GLN 2 3.095 -11.519 4.751
14 HE21 GLN 2 1HE2 GLN 2 0.902 -11.260 7.427
15 HE22 GLN 2 2HE2 GLN 2 0.055 -9.874 6.846
16 H GLU 3 H GLU 3 0.683 -11.422 1.451
17 HA GLU 3 HA GLU 3 3.537 -11.036 0.797
18 HB2 GLU 3 2HB GLU 3 1.445 -11.703 -1.326
19 HB3 GLU 3 3HB GLU 3 3.150 -11.368 -1.604
20 HG2 GLU 3 2HG GLU 3 3.755 -13.438 -0.403
21 HG3 GLU 3 3HG GLU 3 2.047 -13.781 -0.121
22 H THR 4 H THR 4 0.346 -10.130 -0.571
23 HA THR 4 HA THR 4 1.211 -7.512 -1.307
24 HB THR 4 HB THR 4 -0.512 -8.708 -2.599
25 HG1 THR 4 HG1 THR 4 -2.171 -6.782 -2.253
26 HG21 THR 4 1HG2 THR 4 -2.386 -8.251 -0.241
27 HG22 THR 4 2HG2 THR 4 -1.737 -9.818 -0.726
28 HG23 THR 4 3HG2 THR 4 -2.823 -8.944 -1.807
29 H ARG 5 H ARG 5 -0.504 -8.806 1.490
30 HA ARG 5 HA ARG 5 -1.372 -6.323 2.610
31 HB2 ARG 5 2HB ARG 5 -0.854 -8.975 4.008
32 HB3 ARG 5 3HB ARG 5 -1.752 -7.610 4.673
33 HG2 ARG 5 2HG ARG 5 -3.488 -7.887 2.991
34 HG3 ARG 5 3HG ARG 5 -2.579 -9.203 2.232
35 HD2 ARG 5 2HD ARG 5 -4.371 -10.059 3.672
36 HD3 ARG 5 3HD ARG 5 -2.789 -10.542 4.261
37 HE ARG 5 HE ARG 5 -2.983 -8.725 5.928
38 HH11 ARG 5 1HH1 ARG 5 -5.958 -10.004 4.549
39 HH12 ARG 5 2HH1 ARG 5 -6.923 -9.557 5.918
40 HH21 ARG 5 1HH2 ARG 5 -4.259 -8.151 7.718
41 HH22 ARG 5 2HH2 ARG 5 -5.952 -8.504 7.712
42 H LYS 6 H LYS 6 1.432 -8.433 3.098
43 HA LYS 6 HA LYS 6 2.895 -6.954 4.961
44 HB2 LYS 6 2HB LYS 6 3.692 -9.160 4.478
45 HB3 LYS 6 3HB LYS 6 3.744 -8.868 2.749
46 HG2 LYS 6 2HG LYS 6 5.583 -7.247 4.494
47 HG3 LYS 6 3HG LYS 6 5.980 -8.947 4.261
48 HD2 LYS 6 2HD LYS 6 6.488 -8.666 1.996
49 HD3 LYS 6 3HD LYS 6 5.376 -7.316 1.791
50 HE2 LYS 6 2HE LYS 6 7.653 -6.528 1.554
51 HE3 LYS 6 3HE LYS 6 6.965 -5.858 3.034
52 HZ1 LYS 6 1HZ LYS 6 8.835 -8.166 2.854
53 HZ2 LYS 6 2HZ LYS 6 8.143 -7.595 4.286
54 HZ3 LYS 6 3HZ LYS 6 9.205 -6.616 3.416
55 H LYS 7 H LYS 7 2.808 -6.728 1.411
56 HA LYS 7 HA LYS 7 4.745 -4.706 1.092
57 HB2 LYS 7 2HB LYS 7 3.925 -6.150 -0.766
58 HB3 LYS 7 3HB LYS 7 2.356 -5.348 -0.695
59 HG2 LYS 7 2HG LYS 7 3.455 -3.193 -1.319
60 HG3 LYS 7 3HG LYS 7 5.004 -4.035 -1.436
61 HD2 LYS 7 2HD LYS 7 2.539 -4.600 -3.126
62 HD3 LYS 7 3HD LYS 7 3.957 -3.698 -3.652
63 HE2 LYS 7 2HE LYS 7 5.343 -5.711 -3.449
64 HE3 LYS 7 3HE LYS 7 3.964 -6.622 -2.829
65 HZ1 LYS 7 1HZ LYS 7 4.183 -5.431 -5.541
66 HZ2 LYS 7 2HZ LYS 7 2.838 -6.261 -4.950
67 HZ3 LYS 7 3HZ LYS 7 4.306 -7.072 -5.156
68 H CYS 8 H CYS 8 1.230 -4.596 1.618
69 HA CYS 8 HA CYS 8 0.898 -1.792 1.356
70 HB2 CYS 8 2HB CYS 8 -0.996 -3.403 1.197
71 HB3 CYS 8 3HB CYS 8 -0.853 -3.718 2.928
72 H THR 9 H THR 9 1.709 -3.899 4.090
73 HA THR 9 HA THR 9 1.510 -1.992 6.182
74 HB THR 9 HB THR 9 3.370 -4.421 6.037
75 HG1 THR 9 HG1 THR 9 0.775 -4.417 5.964
76 HG21 THR 9 1HG2 THR 9 3.271 -4.359 8.521
77 HG22 THR 9 2HG2 THR 9 2.301 -2.888 8.444
78 HG23 THR 9 3HG2 THR 9 3.971 -2.869 7.875
79 H GLU 10 H GLU 10 4.182 -3.108 4.142
80 HA GLU 10 HA GLU 10 6.288 -1.550 5.070
81 HB2 GLU 10 2HB GLU 10 6.474 -3.510 3.479
82 HB3 GLU 10 3HB GLU 10 5.828 -2.487 2.203
83 HG2 GLU 10 2HG GLU 10 8.226 -2.570 1.949
84 HG3 GLU 10 3HG GLU 10 7.794 -0.947 2.502
85 H MET 11 H MET 11 3.790 -0.864 2.660
86 HA MET 11 HA MET 11 4.850 1.684 1.872
87 HB2 MET 11 2HB MET 11 2.124 0.435 1.378
88 HB3 MET 11 3HB MET 11 2.661 1.954 0.678
89 HG2 MET 11 2HG MET 11 3.899 -0.758 0.158
90 HG3 MET 11 3HG MET 11 2.811 0.104 -0.919
91 HE1 MET 11 1HE MET 11 7.326 0.743 -0.515
92 HE2 MET 11 2HE MET 11 6.420 -0.746 -0.254
93 HE3 MET 11 3HE MET 11 6.369 0.543 0.952
94 H LYS 12 H LYS 12 2.513 0.618 4.346
95 HA LYS 12 HA LYS 12 1.431 3.231 4.858
96 HB2 LYS 12 2HB LYS 12 1.450 0.713 6.558
97 HB3 LYS 12 3HB LYS 12 0.697 2.214 7.095
98 HG2 LYS 12 2HG LYS 12 -0.798 2.120 5.082
99 HG3 LYS 12 3HG LYS 12 -0.117 0.538 4.692
100 HD2 LYS 12 2HD LYS 12 -1.612 1.264 7.245
101 HD3 LYS 12 3HD LYS 12 -2.272 0.339 5.895
102 HE2 LYS 12 2HE LYS 12 -0.784 -1.508 6.337
103 HE3 LYS 12 3HE LYS 12 0.141 -0.563 7.505
104 HZ1 LYS 12 1HZ LYS 12 -1.297 -1.983 8.703
105 HZ2 LYS 12 2HZ LYS 12 -2.644 -1.526 7.798
106 HZ3 LYS 12 3HZ LYS 12 -1.924 -0.423 8.850
107 H LYS 13 H LYS 13 3.978 1.287 6.405
108 HA LYS 13 HA LYS 13 4.582 3.141 8.483
109 HB2 LYS 13 2HB LYS 13 6.598 1.710 8.884
110 HB3 LYS 13 3HB LYS 13 5.100 0.783 8.784
111 HG2 LYS 13 2HG LYS 13 5.675 0.301 6.365
112 HG3 LYS 13 3HG LYS 13 7.257 1.020 6.657
113 HD2 LYS 13 2HD LYS 13 6.172 -1.344 8.243
114 HD3 LYS 13 3HD LYS 13 7.124 -1.519 6.766
115 HE2 LYS 13 2HE LYS 13 8.066 -0.149 9.304
116 HE3 LYS 13 3HE LYS 13 8.514 -1.769 8.767
117 HZ1 LYS 13 1HZ LYS 13 9.122 0.776 7.360
118 HZ2 LYS 13 2HZ LYS 13 9.485 -0.765 6.764
119 HZ3 LYS 13 3HZ LYS 13 10.226 -0.213 8.179
120 H LYS 14 H LYS 14 5.886 2.640 5.229
121 HA LYS 14 HA LYS 14 8.030 4.570 5.538
122 HB2 LYS 14 2HB LYS 14 7.883 2.447 3.936
123 HB3 LYS 14 3HB LYS 14 7.025 3.531 2.857
124 HG2 LYS 14 2HG LYS 14 9.811 4.108 3.928
125 HG3 LYS 14 3HG LYS 14 9.520 3.239 2.420
126 HD2 LYS 14 2HD LYS 14 8.337 5.217 1.523
127 HD3 LYS 14 3HD LYS 14 8.633 6.084 3.031
128 HE2 LYS 14 2HE LYS 14 10.830 5.046 1.203
129 HE3 LYS 14 3HE LYS 14 10.202 6.694 1.171
130 HZ1 LYS 14 1HZ LYS 14 11.533 5.402 3.499
131 HZ2 LYS 14 2HZ LYS 14 10.939 6.982 3.456
132 HZ3 LYS 14 3HZ LYS 14 12.233 6.541 2.464
133 H PHE 15 H PHE 15 5.148 4.365 3.441
134 HA PHE 15 HA PHE 15 5.062 7.262 3.031
135 HB2 PHE 15 2HB PHE 15 3.329 5.056 1.852
136 HB3 PHE 15 3HB PHE 15 3.342 6.729 1.329
137 HD1 PHE 15 HD1 PHE 15 4.429 3.575 0.423
138 HD2 PHE 15 HD2 PHE 15 5.945 7.564 0.797
139 HE1 PHE 15 HE1 PHE 15 6.185 3.064 -1.210
140 HE2 PHE 15 HE2 PHE 15 7.703 7.035 -0.836
141 HZ PHE 15 HZ PHE 15 7.829 4.788 -1.842
142 H LYS 16 H LYS 16 4.601 7.160 5.522
143 HA LYS 16 HA LYS 16 1.925 6.736 6.407
144 HB2 LYS 16 2HB LYS 16 2.626 8.017 8.422
145 HB3 LYS 16 3HB LYS 16 3.774 6.750 7.998
146 HG2 LYS 16 2HG LYS 16 5.266 8.423 6.971
147 HG3 LYS 16 3HG LYS 16 4.122 9.706 7.365
148 HD2 LYS 16 2HD LYS 16 5.448 7.948 9.462
149 HD3 LYS 16 3HD LYS 16 6.135 9.472 8.909
150 HE2 LYS 16 2HE LYS 16 4.989 9.938 10.950
151 HE3 LYS 16 3HE LYS 16 3.986 10.600 9.664
152 HZ1 LYS 16 1HZ LYS 16 2.509 8.729 9.863
153 HZ2 LYS 16 2HZ LYS 16 2.732 9.410 11.393
154 HZ3 LYS 16 3HZ LYS 16 3.526 7.979 10.982
155 H ASN 17 H ASN 17 3.484 9.282 4.665
156 HA ASN 17 HA ASN 17 1.303 11.217 5.061
157 HB2 ASN 17 2HB ASN 17 3.958 11.441 3.567
158 HB3 ASN 17 3HB ASN 17 2.781 12.744 3.708
159 HD21 ASN 17 1HD2 ASN 17 5.226 10.923 5.372
160 HD22 ASN 17 2HD2 ASN 17 5.307 11.926 6.771
161 H CYS 18 H CYS 18 1.239 8.576 3.456
162 HA CYS 18 HA CYS 18 -0.215 9.689 1.139
163 HB2 CYS 18 2HB CYS 18 1.712 7.338 1.060
164 HB3 CYS 18 3HB CYS 18 0.609 7.773 -0.242
165 H GLU 19 H GLU 19 -1.987 8.439 0.453
166 HA GLU 19 HA GLU 19 -3.315 6.970 2.585
167 HB2 GLU 19 2HB GLU 19 -4.480 8.776 1.247
168 HB3 GLU 19 3HB GLU 19 -4.357 7.751 -0.172
169 HG2 GLU 19 2HG GLU 19 -5.759 6.033 0.985
170 HG3 GLU 19 3HG GLU 19 -5.954 7.147 2.343
171 H VAL 20 H VAL 20 -2.157 5.069 2.616
172 HA VAL 20 HA VAL 20 -1.591 3.510 0.227
173 HB VAL 20 HB VAL 20 -1.073 2.961 3.189
174 HG11 VAL 20 1HG1 VAL 20 0.466 1.175 2.410
175 HG12 VAL 20 2HG1 VAL 20 -0.048 1.464 0.746
176 HG13 VAL 20 3HG1 VAL 20 -1.200 0.842 1.930
177 HG21 VAL 20 1HG2 VAL 20 0.836 3.898 1.031
178 HG22 VAL 20 2HG2 VAL 20 1.224 3.622 2.729
179 HG23 VAL 20 3HG2 VAL 20 0.131 4.930 2.276
180 H ARG 21 H ARG 21 -3.172 2.232 -0.595
181 HA ARG 21 HA ARG 21 -5.388 1.242 1.084
182 HB2 ARG 21 2HB ARG 21 -5.145 1.489 -1.946
183 HB3 ARG 21 3HB ARG 21 -6.577 0.921 -1.087
184 HG2 ARG 21 2HG ARG 21 -6.849 3.144 -0.046
185 HG3 ARG 21 3HG ARG 21 -5.386 3.716 -0.863
186 HD2 ARG 21 2HD ARG 21 -6.444 3.373 -3.043
187 HD3 ARG 21 3HD ARG 21 -7.882 2.708 -2.268
188 HE ARG 21 HE ARG 21 -7.096 5.465 -1.637
189 HH11 ARG 21 1HH1 ARG 21 -9.321 3.304 -3.297
190 HH12 ARG 21 2HH1 ARG 21 -10.512 4.535 -3.577
191 HH21 ARG 21 1HH2 ARG 21 -8.656 7.094 -2.044
192 HH22 ARG 21 2HH2 ARG 21 -10.132 6.688 -2.860
193 H CYS 22 H CYS 22 -4.898 -0.740 1.877
194 HA CYS 22 HA CYS 22 -3.343 -2.741 0.578
195 HB2 CYS 22 2HB CYS 22 -5.375 -3.091 2.827
196 HB3 CYS 22 3HB CYS 22 -4.082 -4.212 2.406
197 H ASP 23 H ASP 23 -4.017 -4.584 -0.552
198 HA ASP 23 HA ASP 23 -6.828 -4.953 -1.246
199 HB2 ASP 23 2HB ASP 23 -6.267 -3.338 -2.944
200 HB3 ASP 23 3HB ASP 23 -4.719 -4.112 -3.267
201 H GLU 24 H GLU 24 -7.287 -6.987 -1.544
202 HA GLU 24 HA GLU 24 -5.163 -9.027 -1.878
203 HB2 GLU 24 2HB GLU 24 -7.796 -9.232 -0.342
204 HB3 GLU 24 3HB GLU 24 -6.589 -10.513 -0.489
205 HG2 GLU 24 2HG GLU 24 -4.995 -9.287 0.830
206 HG3 GLU 24 3HG GLU 24 -5.974 -7.821 0.780
207 H SER 25 H SER 25 -7.946 -7.593 -3.238
208 HA SER 25 HA SER 25 -9.150 -9.859 -4.517
209 HB2 SER 25 2HB SER 25 -9.326 -6.896 -5.250
210 HB3 SER 25 3HB SER 25 -10.425 -8.163 -5.798
211 HG SER 25 HG SER 25 -11.283 -8.299 -3.818
212 H ASN 26 H ASN 26 -7.184 -7.170 -5.817
213 HA ASN 26 HA ASN 26 -6.404 -8.769 -8.173
214 HB2 ASN 26 2HB ASN 26 -7.335 -6.486 -8.533
215 HB3 ASN 26 3HB ASN 26 -6.043 -5.798 -7.558
216 HD21 ASN 26 1HD2 ASN 26 -6.748 -7.493 -10.587
217 HD22 ASN 26 2HD2 ASN 26 -5.350 -6.924 -11.422
218 H HIS 27 H HIS 27 -5.287 -7.943 -5.095
219 HA HIS 27 HA HIS 27 -3.404 -8.259 -3.908
220 HB2 HIS 27 2HB HIS 27 -2.350 -9.827 -6.309
221 HB3 HIS 27 3HB HIS 27 -1.655 -9.844 -4.696
222 HD1 HIS 27 HD1 HIS 27 -2.796 -11.323 -2.919
223 HD2 HIS 27 HD2 HIS 27 -4.691 -11.378 -6.617
224 HE1 HIS 27 HE1 HIS 27 -4.383 -13.262 -2.840
225 HE2 HIS 27 HE2 HIS 27 -5.645 -13.144 -5.010
226 H CYS 28 H CYS 28 -3.624 -5.822 -5.022
227 HA CYS 28 HA CYS 28 -0.879 -5.007 -5.632
228 HB2 CYS 28 2HB CYS 28 -3.230 -4.452 -7.486
229 HB3 CYS 28 3HB CYS 28 -1.666 -3.640 -7.592
230 H VAL 29 H VAL 29 -0.365 -3.257 -4.518
231 HA VAL 29 HA VAL 29 -2.388 -2.005 -2.817
232 HB VAL 29 HB VAL 29 0.670 -1.899 -2.757
233 HG11 VAL 29 1HG1 VAL 29 -1.287 -0.872 -0.665
234 HG12 VAL 29 2HG1 VAL 29 -0.249 0.123 -1.691
235 HG13 VAL 29 3HG1 VAL 29 0.470 -0.944 -0.484
236 HG21 VAL 29 1HG2 VAL 29 -0.217 -4.152 -2.301
237 HG22 VAL 29 2HG2 VAL 29 -1.260 -3.496 -1.034
238 HG23 VAL 29 3HG2 VAL 29 0.495 -3.450 -0.846
239 H GLU 30 H GLU 30 -3.333 -0.227 -3.640
240 HA GLU 30 HA GLU 30 -1.900 1.660 -5.347
241 HB2 GLU 30 2HB GLU 30 -4.269 1.160 -5.903
242 HB3 GLU 30 3HB GLU 30 -4.772 1.750 -4.318
243 HG2 GLU 30 2HG GLU 30 -3.790 4.002 -4.930
244 HG3 GLU 30 3HG GLU 30 -3.512 3.375 -6.545
245 H VAL 31 H VAL 31 -0.605 3.046 -4.313
246 HA VAL 31 HA VAL 31 -1.313 4.158 -1.685
247 HB VAL 31 HB VAL 31 1.282 4.452 -3.248
248 HG11 VAL 31 1HG1 VAL 31 0.640 4.999 -0.336
249 HG12 VAL 31 2HG1 VAL 31 0.990 6.200 -1.584
250 HG13 VAL 31 3HG1 VAL 31 2.252 5.086 -1.055
251 HG21 VAL 31 1HG2 VAL 31 0.660 2.438 -1.061
252 HG22 VAL 31 2HG2 VAL 31 2.242 2.702 -1.807
253 HG23 VAL 31 3HG2 VAL 31 0.905 2.073 -2.773
254 H ARG 32 H ARG 32 -2.567 5.904 -1.906
255 HA ARG 32 HA ARG 32 -2.310 7.728 -4.202
256 HB2 ARG 32 2HB ARG 32 -4.515 6.646 -3.864
257 HB3 ARG 32 3HB ARG 32 -4.601 7.306 -2.231
258 HG2 ARG 32 2HG ARG 32 -4.741 9.582 -3.114
259 HG3 ARG 32 3HG ARG 32 -4.510 8.985 -4.755
260 HD2 ARG 32 2HD ARG 32 -6.879 8.400 -2.948
261 HD3 ARG 32 3HD ARG 32 -6.872 9.473 -4.351
262 HE ARG 32 HE ARG 32 -6.613 6.513 -4.442
263 HH11 ARG 32 1HH1 ARG 32 -7.467 9.526 -6.073
264 HH12 ARG 32 2HH1 ARG 32 -8.095 8.724 -7.477
265 HH21 ARG 32 1HH2 ARG 32 -7.451 5.490 -6.296
266 HH22 ARG 32 2HH2 ARG 32 -8.089 6.445 -7.596
267 H CYS 33 H CYS 33 -0.564 8.990 -3.437
268 HA CYS 33 HA CYS 33 -0.428 10.122 -0.830
269 HB2 CYS 33 2HB CYS 33 0.975 10.968 -3.387
270 HB3 CYS 33 3HB CYS 33 1.381 11.551 -1.773
271 H SER 34 H SER 34 -0.826 11.961 -3.879
272 HA SER 34 HA SER 34 -3.272 13.165 -3.468
273 HB2 SER 34 2HB SER 34 -2.129 14.296 -1.475
274 HB3 SER 34 3HB SER 34 -1.058 15.114 -2.611
275 HG SER 34 HG SER 34 -2.904 16.097 -3.511
276 H ASP 35 H ASP 35 0.031 13.726 -4.472
277 HA ASP 35 HA ASP 35 -0.738 14.986 -7.024
278 HB2 ASP 35 2HB ASP 35 0.852 16.302 -5.800
279 HB3 ASP 35 3HB ASP 35 1.818 14.895 -5.375
280 H THR 36 H THR 36 1.004 12.184 -5.673
281 HA THR 36 HA THR 36 2.132 11.451 -8.264
282 HB THR 36 HB THR 36 3.276 9.614 -6.889
283 HG1 THR 36 HG1 THR 36 3.206 10.182 -4.537
284 HG21 THR 36 1HG2 THR 36 3.726 12.490 -5.965
285 HG22 THR 36 2HG2 THR 36 4.459 11.735 -7.383
286 HG23 THR 36 3HG2 THR 36 4.868 11.152 -5.768
287 H LYS 37 H LYS 37 0.525 9.484 -5.732
288 HA LYS 37 HA LYS 37 -0.842 7.708 -5.760
289 HB2 LYS 37 2HB LYS 37 -2.344 9.517 -6.833
290 HB3 LYS 37 3HB LYS 37 -2.030 8.739 -8.371
291 HG2 LYS 37 2HG LYS 37 -3.231 7.229 -6.028
292 HG3 LYS 37 3HG LYS 37 -4.236 8.174 -7.124
293 HD2 LYS 37 2HD LYS 37 -2.458 5.839 -7.960
294 HD3 LYS 37 3HD LYS 37 -4.199 5.739 -7.673
295 HE2 LYS 37 2HE LYS 37 -4.606 7.332 -9.515
296 HE3 LYS 37 3HE LYS 37 -2.867 7.471 -9.796
297 HZ1 LYS 37 1HZ LYS 37 -3.834 5.943 -11.355
298 HZ2 LYS 37 2HZ LYS 37 -4.512 5.019 -10.112
299 HZ3 LYS 37 3HZ LYS 37 -2.836 5.088 -10.297
300 H TYR 38 H TYR 38 0.484 6.019 -5.981
301 HA TYR 38 HA TYR 38 1.113 4.891 -8.651
302 HB2 TYR 38 2HB TYR 38 3.373 4.187 -7.587
303 HB3 TYR 38 3HB TYR 38 3.192 5.875 -8.013
304 HD1 TYR 38 HD1 TYR 38 3.587 3.529 -5.217
305 HD2 TYR 38 HD2 TYR 38 2.904 7.612 -6.267
306 HE1 TYR 38 HE1 TYR 38 4.094 4.198 -2.920
307 HE2 TYR 38 HE2 TYR 38 3.446 8.288 -3.989
308 HH TYR 38 HH TYR 38 3.460 7.369 -1.776
309 H THR 39 H THR 39 1.174 2.625 -8.721
310 HA THR 39 HA THR 39 -0.014 1.260 -6.377
311 HB THR 39 HB THR 39 -0.486 0.649 -9.329
312 HG1 THR 39 HG1 THR 39 -1.483 2.624 -8.230
313 HG21 THR 39 1HG2 THR 39 -2.251 -0.895 -8.502
314 HG22 THR 39 2HG2 THR 39 -1.777 -0.549 -6.840
315 HG23 THR 39 3HG2 THR 39 -0.654 -1.387 -7.913
316 H LEU 40 H LEU 40 1.672 0.233 -5.464
317 HA LEU 40 HA LEU 40 3.663 -1.255 -6.944
318 HB2 LEU 40 2HB LEU 40 2.972 -1.078 -3.986
319 HB3 LEU 40 3HB LEU 40 4.144 -2.236 -4.598
320 HG LEU 40 HG LEU 40 5.296 -0.091 -5.642
321 HD11 LEU 40 1HD1 LEU 40 3.540 1.503 -5.099
322 HD12 LEU 40 2HD1 LEU 40 5.049 1.932 -4.294
323 HD13 LEU 40 3HD1 LEU 40 3.744 1.175 -3.374
324 HD21 LEU 40 1HD2 LEU 40 5.475 -0.730 -2.682
325 HD22 LEU 40 2HD2 LEU 40 6.678 0.151 -3.628
326 HD23 LEU 40 3HD2 LEU 40 6.349 -1.542 -3.986
327 H CYS 41 H CYS 41 2.687 -2.718 -8.207
328 HA CYS 41 HA CYS 41 0.461 -4.360 -7.217
329 HB2 CYS 41 2HB CYS 41 0.120 -2.935 -9.233
330 HB3 CYS 41 3HB CYS 41 1.384 -3.827 -10.064
Start of MODEL 14
1 H1 SER 1 1H SER 1 -0.908 -16.382 0.561
2 H2 SER 1 2H SER 1 -1.786 -16.635 1.981
3 H3 SER 1 3H SER 1 -0.791 -17.857 1.370
4 HA SER 1 HA SER 1 0.179 -16.712 3.286
5 HB2 SER 1 2HB SER 1 1.611 -17.821 1.574
6 HB3 SER 1 3HB SER 1 1.662 -16.327 0.644
7 HG SER 1 HG SER 1 3.393 -15.990 1.791
8 H GLN 2 H GLN 2 1.725 -14.696 3.634
9 HA GLN 2 HA GLN 2 0.142 -12.262 3.183
10 HB2 GLN 2 2HB GLN 2 0.967 -12.967 5.483
11 HB3 GLN 2 3HB GLN 2 2.609 -12.646 4.935
12 HG2 GLN 2 2HG GLN 2 1.973 -10.274 4.539
13 HG3 GLN 2 3HG GLN 2 0.363 -10.619 5.162
14 HE21 GLN 2 1HE2 GLN 2 0.108 -11.030 7.405
15 HE22 GLN 2 2HE2 GLN 2 1.324 -10.584 8.546
16 H GLU 3 H GLU 3 0.650 -12.204 0.954
17 HA GLU 3 HA GLU 3 3.372 -11.710 0.004
18 HB2 GLU 3 2HB GLU 3 1.954 -13.254 -1.264
19 HB3 GLU 3 3HB GLU 3 0.681 -12.049 -1.381
20 HG2 GLU 3 2HG GLU 3 2.601 -10.680 -2.670
21 HG3 GLU 3 3HG GLU 3 3.225 -12.303 -2.962
22 H THR 4 H THR 4 0.316 -10.166 -0.917
23 HA THR 4 HA THR 4 1.591 -7.618 -1.405
24 HB THR 4 HB THR 4 0.024 -8.404 -3.040
25 HG1 THR 4 HG1 THR 4 -0.377 -6.350 -3.196
26 HG21 THR 4 1HG2 THR 4 -2.355 -8.809 -2.598
27 HG22 THR 4 2HG2 THR 4 -2.113 -8.485 -0.880
28 HG23 THR 4 3HG2 THR 4 -1.354 -9.894 -1.632
29 H ARG 5 H ARG 5 -0.354 -9.070 1.092
30 HA ARG 5 HA ARG 5 -1.247 -6.701 2.411
31 HB2 ARG 5 2HB ARG 5 -0.998 -9.582 3.340
32 HB3 ARG 5 3HB ARG 5 -1.608 -8.309 4.392
33 HG2 ARG 5 2HG ARG 5 -3.495 -7.910 2.887
34 HG3 ARG 5 3HG ARG 5 -2.866 -9.094 1.736
35 HD2 ARG 5 2HD ARG 5 -3.186 -10.894 3.350
36 HD3 ARG 5 3HD ARG 5 -3.678 -9.746 4.593
37 HE ARG 5 HE ARG 5 -5.525 -9.312 2.687
38 HH11 ARG 5 1HH1 ARG 5 -4.358 -12.336 4.084
39 HH12 ARG 5 2HH1 ARG 5 -5.872 -13.153 3.875
40 HH21 ARG 5 1HH2 ARG 5 -7.526 -10.384 2.528
41 HH22 ARG 5 2HH2 ARG 5 -7.657 -12.048 2.997
42 H LYS 6 H LYS 6 1.748 -8.660 2.727
43 HA LYS 6 HA LYS 6 2.749 -7.218 5.007
44 HB2 LYS 6 2HB LYS 6 4.770 -8.442 4.779
45 HB3 LYS 6 3HB LYS 6 3.544 -9.545 4.187
46 HG2 LYS 6 2HG LYS 6 5.069 -9.879 2.517
47 HG3 LYS 6 3HG LYS 6 4.271 -8.469 1.819
48 HD2 LYS 6 2HD LYS 6 6.148 -7.128 3.185
49 HD3 LYS 6 3HD LYS 6 6.992 -8.676 3.137
50 HE2 LYS 6 2HE LYS 6 6.799 -8.651 0.653
51 HE3 LYS 6 3HE LYS 6 6.036 -7.058 0.758
52 HZ1 LYS 6 1HZ LYS 6 8.062 -6.207 1.771
53 HZ2 LYS 6 2HZ LYS 6 8.384 -6.876 0.256
54 HZ3 LYS 6 3HZ LYS 6 8.789 -7.727 1.658
55 H LYS 7 H LYS 7 2.768 -6.771 1.556
56 HA LYS 7 HA LYS 7 4.682 -4.647 1.395
57 HB2 LYS 7 2HB LYS 7 4.146 -6.125 -0.500
58 HB3 LYS 7 3HB LYS 7 2.491 -5.533 -0.526
59 HG2 LYS 7 2HG LYS 7 3.301 -3.287 -1.178
60 HG3 LYS 7 3HG LYS 7 4.969 -3.870 -1.120
61 HD2 LYS 7 2HD LYS 7 2.791 -4.892 -2.990
62 HD3 LYS 7 3HD LYS 7 4.108 -3.808 -3.444
63 HE2 LYS 7 2HE LYS 7 5.750 -5.566 -2.963
64 HE3 LYS 7 3HE LYS 7 4.466 -6.642 -2.408
65 HZ1 LYS 7 1HZ LYS 7 4.801 -5.616 -5.165
66 HZ2 LYS 7 2HZ LYS 7 3.540 -6.604 -4.639
67 HZ3 LYS 7 3HZ LYS 7 5.124 -7.182 -4.628
68 H CYS 8 H CYS 8 1.188 -4.855 1.884
69 HA CYS 8 HA CYS 8 0.482 -2.136 1.755
70 HB2 CYS 8 2HB CYS 8 -1.454 -3.365 1.980
71 HB3 CYS 8 3HB CYS 8 -0.674 -4.604 2.950
72 H THR 9 H THR 9 1.573 -4.134 4.492
73 HA THR 9 HA THR 9 1.697 -2.206 6.514
74 HB THR 9 HB THR 9 3.562 -4.606 6.127
75 HG1 THR 9 HG1 THR 9 0.882 -4.516 6.473
76 HG21 THR 9 1HG2 THR 9 4.222 -3.111 8.010
77 HG22 THR 9 2HG2 THR 9 3.645 -4.667 8.596
78 HG23 THR 9 3HG2 THR 9 2.589 -3.259 8.690
79 H GLU 10 H GLU 10 4.057 -3.249 4.128
80 HA GLU 10 HA GLU 10 6.316 -1.782 4.915
81 HB2 GLU 10 2HB GLU 10 6.347 -3.763 3.430
82 HB3 GLU 10 3HB GLU 10 5.506 -2.851 2.180
83 HG2 GLU 10 2HG GLU 10 7.450 -1.328 2.021
84 HG3 GLU 10 3HG GLU 10 8.296 -2.304 3.224
85 H MET 11 H MET 11 3.687 -1.004 2.664
86 HA MET 11 HA MET 11 4.878 1.443 1.719
87 HB2 MET 11 2HB MET 11 2.100 0.277 1.348
88 HB3 MET 11 3HB MET 11 2.607 1.797 0.633
89 HG2 MET 11 2HG MET 11 3.827 -0.909 0.031
90 HG3 MET 11 3HG MET 11 2.649 -0.069 -0.969
91 HE1 MET 11 1HE MET 11 6.289 0.411 0.652
92 HE2 MET 11 2HE MET 11 7.163 0.643 -0.862
93 HE3 MET 11 3HE MET 11 6.295 -0.863 -0.570
94 H LYS 12 H LYS 12 2.536 0.591 4.271
95 HA LYS 12 HA LYS 12 1.609 3.286 4.676
96 HB2 LYS 12 2HB LYS 12 1.321 0.789 6.390
97 HB3 LYS 12 3HB LYS 12 0.681 2.356 6.888
98 HG2 LYS 12 2HG LYS 12 -0.601 2.397 4.699
99 HG3 LYS 12 3HG LYS 12 -0.132 0.718 4.472
100 HD2 LYS 12 2HD LYS 12 -1.418 0.009 6.372
101 HD3 LYS 12 3HD LYS 12 -1.637 1.667 6.943
102 HE2 LYS 12 2HE LYS 12 -3.050 2.171 4.996
103 HE3 LYS 12 3HE LYS 12 -2.789 0.549 4.362
104 HZ1 LYS 12 1HZ LYS 12 -4.940 0.850 5.499
105 HZ2 LYS 12 2HZ LYS 12 -4.119 1.124 6.950
106 HZ3 LYS 12 3HZ LYS 12 -3.996 -0.372 6.182
107 H LYS 13 H LYS 13 4.117 1.285 6.225
108 HA LYS 13 HA LYS 13 4.695 3.117 8.324
109 HB2 LYS 13 2HB LYS 13 6.675 1.774 8.773
110 HB3 LYS 13 3HB LYS 13 5.304 0.723 8.446
111 HG2 LYS 13 2HG LYS 13 6.162 0.378 6.128
112 HG3 LYS 13 3HG LYS 13 7.574 1.359 6.530
113 HD2 LYS 13 2HD LYS 13 8.103 -1.040 6.689
114 HD3 LYS 13 3HD LYS 13 8.223 -0.277 8.277
115 HE2 LYS 13 2HE LYS 13 6.014 -1.182 8.886
116 HE3 LYS 13 3HE LYS 13 5.847 -1.884 7.276
117 HZ1 LYS 13 1HZ LYS 13 8.043 -2.601 9.119
118 HZ2 LYS 13 2HZ LYS 13 7.563 -3.407 7.711
119 HZ3 LYS 13 3HZ LYS 13 6.569 -3.422 9.077
120 H LYS 14 H LYS 14 5.886 2.804 5.026
121 HA LYS 14 HA LYS 14 8.033 4.739 5.382
122 HB2 LYS 14 2HB LYS 14 8.257 2.751 3.858
123 HB3 LYS 14 3HB LYS 14 7.004 3.425 2.827
124 HG2 LYS 14 2HG LYS 14 8.418 5.329 2.258
125 HG3 LYS 14 3HG LYS 14 9.649 4.814 3.418
126 HD2 LYS 14 2HD LYS 14 10.032 2.756 2.085
127 HD3 LYS 14 3HD LYS 14 8.804 3.275 0.927
128 HE2 LYS 14 2HE LYS 14 11.045 3.740 0.066
129 HE3 LYS 14 3HE LYS 14 10.184 5.248 0.370
130 HZ1 LYS 14 1HZ LYS 14 12.143 4.045 2.250
131 HZ2 LYS 14 2HZ LYS 14 11.422 5.573 2.370
132 HZ3 LYS 14 3HZ LYS 14 12.515 5.249 1.124
133 H PHE 15 H PHE 15 4.822 4.559 3.932
134 HA PHE 15 HA PHE 15 4.919 7.421 3.144
135 HB2 PHE 15 2HB PHE 15 3.232 5.203 1.897
136 HB3 PHE 15 3HB PHE 15 3.370 6.855 1.319
137 HD1 PHE 15 HD1 PHE 15 4.393 3.605 0.638
138 HD2 PHE 15 HD2 PHE 15 6.028 7.559 0.921
139 HE1 PHE 15 HE1 PHE 15 6.260 2.932 -0.799
140 HE2 PHE 15 HE2 PHE 15 7.903 6.868 -0.521
141 HZ PHE 15 HZ PHE 15 8.021 4.556 -1.384
142 H LYS 16 H LYS 16 4.372 7.191 5.647
143 HA LYS 16 HA LYS 16 1.683 6.713 6.444
144 HB2 LYS 16 2HB LYS 16 2.318 7.863 8.533
145 HB3 LYS 16 3HB LYS 16 3.577 6.738 8.031
146 HG2 LYS 16 2HG LYS 16 4.859 8.658 7.066
147 HG3 LYS 16 3HG LYS 16 3.632 9.760 7.685
148 HD2 LYS 16 2HD LYS 16 5.558 9.733 9.177
149 HD3 LYS 16 3HD LYS 16 4.165 9.025 9.998
150 HE2 LYS 16 2HE LYS 16 5.044 6.772 9.624
151 HE3 LYS 16 3HE LYS 16 6.368 7.422 8.652
152 HZ1 LYS 16 1HZ LYS 16 5.954 8.090 11.510
153 HZ2 LYS 16 2HZ LYS 16 7.303 8.454 10.559
154 HZ3 LYS 16 3HZ LYS 16 6.968 6.853 10.974
155 H ASN 17 H ASN 17 3.198 9.367 4.821
156 HA ASN 17 HA ASN 17 0.992 11.261 5.301
157 HB2 ASN 17 2HB ASN 17 3.646 11.530 3.816
158 HB3 ASN 17 3HB ASN 17 2.452 12.820 3.920
159 HD21 ASN 17 1HD2 ASN 17 4.890 11.036 5.647
160 HD22 ASN 17 2HD2 ASN 17 4.953 12.071 7.022
161 H CYS 18 H CYS 18 0.809 8.686 3.649
162 HA CYS 18 HA CYS 18 -0.346 9.850 1.195
163 HB2 CYS 18 2HB CYS 18 1.532 7.451 1.191
164 HB3 CYS 18 3HB CYS 18 0.798 8.219 -0.210
165 H GLU 19 H GLU 19 -2.130 8.685 0.380
166 HA GLU 19 HA GLU 19 -3.514 7.001 2.279
167 HB2 GLU 19 2HB GLU 19 -4.693 8.749 0.874
168 HB3 GLU 19 3HB GLU 19 -4.385 7.763 -0.540
169 HG2 GLU 19 2HG GLU 19 -5.732 5.923 0.461
170 HG3 GLU 19 3HG GLU 19 -6.082 6.954 1.849
171 H VAL 20 H VAL 20 -2.110 5.241 2.335
172 HA VAL 20 HA VAL 20 -1.574 3.581 0.014
173 HB VAL 20 HB VAL 20 -1.059 3.142 2.996
174 HG11 VAL 20 1HG1 VAL 20 -0.041 1.518 0.631
175 HG12 VAL 20 2HG1 VAL 20 -1.218 0.973 1.828
176 HG13 VAL 20 3HG1 VAL 20 0.445 1.297 2.316
177 HG21 VAL 20 1HG2 VAL 20 0.852 3.975 0.790
178 HG22 VAL 20 2HG2 VAL 20 1.281 3.695 2.480
179 HG23 VAL 20 3HG2 VAL 20 0.210 5.031 2.050
180 H ARG 21 H ARG 21 -3.113 2.245 -0.732
181 HA ARG 21 HA ARG 21 -5.360 1.340 0.942
182 HB2 ARG 21 2HB ARG 21 -5.086 1.400 -2.103
183 HB3 ARG 21 3HB ARG 21 -6.533 0.930 -1.208
184 HG2 ARG 21 2HG ARG 21 -6.770 3.217 -0.346
185 HG3 ARG 21 3HG ARG 21 -5.283 3.703 -1.172
186 HD2 ARG 21 2HD ARG 21 -6.314 3.267 -3.346
187 HD3 ARG 21 3HD ARG 21 -7.776 2.654 -2.561
188 HE ARG 21 HE ARG 21 -6.972 5.410 -1.991
189 HH11 ARG 21 1HH1 ARG 21 -9.147 3.271 -3.776
190 HH12 ARG 21 2HH1 ARG 21 -10.289 4.532 -4.111
191 HH21 ARG 21 1HH2 ARG 21 -8.496 7.024 -2.428
192 HH22 ARG 21 2HH2 ARG 21 -9.914 6.652 -3.350
193 H CYS 22 H CYS 22 -4.746 -0.550 1.851
194 HA CYS 22 HA CYS 22 -3.121 -2.553 0.650
195 HB2 CYS 22 2HB CYS 22 -5.086 -2.896 2.954
196 HB3 CYS 22 3HB CYS 22 -3.634 -3.843 2.627
197 H ASP 23 H ASP 23 -3.748 -4.456 -0.411
198 HA ASP 23 HA ASP 23 -6.549 -5.182 -0.752
199 HB2 ASP 23 2HB ASP 23 -6.312 -3.448 -2.491
200 HB3 ASP 23 3HB ASP 23 -4.855 -4.218 -3.108
201 H GLU 24 H GLU 24 -6.821 -7.225 -1.651
202 HA GLU 24 HA GLU 24 -4.514 -8.856 -2.438
203 HB2 GLU 24 2HB GLU 24 -5.059 -10.672 -0.938
204 HB3 GLU 24 3HB GLU 24 -4.866 -9.219 0.029
205 HG2 GLU 24 2HG GLU 24 -7.535 -10.411 -0.799
206 HG3 GLU 24 3HG GLU 24 -6.749 -10.679 0.752
207 H SER 25 H SER 25 -7.466 -7.683 -3.160
208 HA SER 25 HA SER 25 -8.898 -9.959 -4.136
209 HB2 SER 25 2HB SER 25 -9.226 -7.050 -5.007
210 HB3 SER 25 3HB SER 25 -10.436 -8.333 -5.084
211 HG SER 25 HG SER 25 -9.498 -6.878 -2.868
212 H ASN 26 H ASN 26 -7.332 -7.249 -5.843
213 HA ASN 26 HA ASN 26 -6.581 -9.007 -8.115
214 HB2 ASN 26 2HB ASN 26 -6.133 -6.850 -9.317
215 HB3 ASN 26 3HB ASN 26 -7.801 -6.989 -8.771
216 HD21 ASN 26 1HD2 ASN 26 -8.490 -5.685 -6.996
217 HD22 ASN 26 2HD2 ASN 26 -7.619 -4.271 -6.526
218 H HIS 27 H HIS 27 -5.364 -7.943 -5.228
219 HA HIS 27 HA HIS 27 -3.385 -8.088 -4.187
220 HB2 HIS 27 2HB HIS 27 -2.454 -9.483 -6.737
221 HB3 HIS 27 3HB HIS 27 -1.476 -9.360 -5.282
222 HD1 HIS 27 HD1 HIS 27 -1.665 -11.261 -3.711
223 HD2 HIS 27 HD2 HIS 27 -4.957 -11.015 -6.232
224 HE1 HIS 27 HE1 HIS 27 -3.057 -13.286 -3.207
225 HE2 HIS 27 HE2 HIS 27 -5.118 -13.016 -4.623
226 H CYS 28 H CYS 28 -3.897 -5.619 -5.010
227 HA CYS 28 HA CYS 28 -1.252 -4.561 -5.766
228 HB2 CYS 28 2HB CYS 28 -3.831 -3.747 -7.138
229 HB3 CYS 28 3HB CYS 28 -2.304 -2.894 -7.305
230 H VAL 29 H VAL 29 -0.619 -3.152 -4.319
231 HA VAL 29 HA VAL 29 -2.496 -1.789 -2.534
232 HB VAL 29 HB VAL 29 0.568 -1.897 -2.559
233 HG11 VAL 29 1HG1 VAL 29 -0.186 0.159 -1.440
234 HG12 VAL 29 2HG1 VAL 29 0.481 -0.973 -0.265
235 HG13 VAL 29 3HG1 VAL 29 -1.269 -0.781 -0.406
236 HG21 VAL 29 1HG2 VAL 29 -0.441 -4.099 -2.091
237 HG22 VAL 29 2HG2 VAL 29 -1.406 -3.395 -0.790
238 HG23 VAL 29 3HG2 VAL 29 0.354 -3.453 -0.652
239 H GLU 30 H GLU 30 -3.321 0.109 -3.284
240 HA GLU 30 HA GLU 30 -1.818 1.773 -5.187
241 HB2 GLU 30 2HB GLU 30 -4.196 1.342 -5.733
242 HB3 GLU 30 3HB GLU 30 -4.692 2.061 -4.201
243 HG2 GLU 30 2HG GLU 30 -3.632 4.231 -4.974
244 HG3 GLU 30 3HG GLU 30 -3.369 3.479 -6.541
245 H VAL 31 H VAL 31 -0.445 3.166 -4.259
246 HA VAL 31 HA VAL 31 -1.128 4.533 -1.741
247 HB VAL 31 HB VAL 31 1.448 4.608 -3.363
248 HG11 VAL 31 1HG1 VAL 31 1.233 6.552 -1.904
249 HG12 VAL 31 2HG1 VAL 31 2.498 5.480 -1.304
250 HG13 VAL 31 3HG1 VAL 31 0.918 5.510 -0.512
251 HG21 VAL 31 1HG2 VAL 31 0.808 2.866 -0.958
252 HG22 VAL 31 2HG2 VAL 31 2.391 3.014 -1.736
253 HG23 VAL 31 3HG2 VAL 31 1.036 2.315 -2.626
254 H ARG 32 H ARG 32 -2.406 6.190 -2.153
255 HA ARG 32 HA ARG 32 -1.979 8.017 -4.433
256 HB2 ARG 32 2HB ARG 32 -4.217 6.964 -4.301
257 HB3 ARG 32 3HB ARG 32 -4.409 7.535 -2.645
258 HG2 ARG 32 2HG ARG 32 -4.306 9.902 -3.512
259 HG3 ARG 32 3HG ARG 32 -4.269 9.247 -5.143
260 HD2 ARG 32 2HD ARG 32 -6.504 8.951 -3.124
261 HD3 ARG 32 3HD ARG 32 -6.526 9.938 -4.588
262 HE ARG 32 HE ARG 32 -6.104 7.079 -4.986
263 HH11 ARG 32 1HH1 ARG 32 -8.474 9.690 -4.902
264 HH12 ARG 32 2HH1 ARG 32 -9.645 8.806 -5.817
265 HH21 ARG 32 1HH2 ARG 32 -7.673 5.924 -6.120
266 HH22 ARG 32 2HH2 ARG 32 -9.193 6.670 -6.503
267 H CYS 33 H CYS 33 -0.359 9.336 -3.529
268 HA CYS 33 HA CYS 33 -0.640 10.314 -0.785
269 HB2 CYS 33 2HB CYS 33 1.570 9.527 -1.968
270 HB3 CYS 33 3HB CYS 33 1.579 11.144 -2.644
271 H SER 34 H SER 34 0.232 12.061 -3.811
272 HA SER 34 HA SER 34 -2.052 13.722 -3.901
273 HB2 SER 34 2HB SER 34 -1.023 14.817 -1.908
274 HB3 SER 34 3HB SER 34 0.455 15.114 -2.820
275 HG SER 34 HG SER 34 -0.560 16.643 -3.994
276 H ASP 35 H ASP 35 1.432 13.973 -4.494
277 HA ASP 35 HA ASP 35 1.002 14.953 -7.252
278 HB2 ASP 35 2HB ASP 35 2.303 16.361 -5.623
279 HB3 ASP 35 3HB ASP 35 3.471 15.058 -5.444
280 H THR 36 H THR 36 1.537 12.055 -5.748
281 HA THR 36 HA THR 36 3.525 11.049 -7.706
282 HB THR 36 HB THR 36 3.876 9.203 -5.995
283 HG1 THR 36 HG1 THR 36 3.121 10.241 -3.791
284 HG21 THR 36 1HG2 THR 36 4.441 12.031 -5.012
285 HG22 THR 36 2HG2 THR 36 5.461 11.090 -6.103
286 HG23 THR 36 3HG2 THR 36 5.237 10.560 -4.437
287 H LYS 37 H LYS 37 1.063 9.386 -5.728
288 HA LYS 37 HA LYS 37 -0.396 7.740 -6.108
289 HB2 LYS 37 2HB LYS 37 -1.619 9.603 -7.203
290 HB3 LYS 37 3HB LYS 37 -0.911 9.148 -8.748
291 HG2 LYS 37 2HG LYS 37 -2.067 6.950 -8.626
292 HG3 LYS 37 3HG LYS 37 -2.769 7.410 -7.071
293 HD2 LYS 37 2HD LYS 37 -3.250 8.867 -9.702
294 HD3 LYS 37 3HD LYS 37 -4.357 7.694 -8.986
295 HE2 LYS 37 2HE LYS 37 -4.741 9.142 -7.071
296 HE3 LYS 37 3HE LYS 37 -3.501 10.272 -7.621
297 HZ1 LYS 37 1HZ LYS 37 -6.070 9.683 -8.986
298 HZ2 LYS 37 2HZ LYS 37 -4.864 10.700 -9.591
299 HZ3 LYS 37 3HZ LYS 37 -5.666 11.104 -8.162
300 H TYR 38 H TYR 38 0.831 5.944 -6.183
301 HA TYR 38 HA TYR 38 1.345 4.692 -8.806
302 HB2 TYR 38 2HB TYR 38 3.509 3.709 -7.735
303 HB3 TYR 38 3HB TYR 38 3.558 5.368 -8.286
304 HD1 TYR 38 HD1 TYR 38 3.201 3.285 -5.215
305 HD2 TYR 38 HD2 TYR 38 4.110 7.143 -6.796
306 HE1 TYR 38 HE1 TYR 38 3.914 4.010 -2.993
307 HE2 TYR 38 HE2 TYR 38 4.839 7.873 -4.568
308 HH TYR 38 HH TYR 38 5.282 5.682 -1.977
309 H THR 39 H THR 39 1.468 2.334 -8.658
310 HA THR 39 HA THR 39 0.012 1.222 -6.329
311 HB THR 39 HB THR 39 -0.584 0.639 -9.272
312 HG1 THR 39 HG1 THR 39 -1.718 2.396 -7.382
313 HG21 THR 39 1HG2 THR 39 -2.034 -0.266 -6.761
314 HG22 THR 39 2HG2 THR 39 -1.083 -1.300 -7.834
315 HG23 THR 39 3HG2 THR 39 -2.575 -0.547 -8.411
316 H LEU 40 H LEU 40 1.510 -0.048 -5.416
317 HA LEU 40 HA LEU 40 3.342 -1.716 -6.974
318 HB2 LEU 40 2HB LEU 40 3.160 -1.073 -4.009
319 HB3 LEU 40 3HB LEU 40 4.111 -2.431 -4.585
320 HG LEU 40 HG LEU 40 5.377 -0.722 -6.056
321 HD11 LEU 40 1HD1 LEU 40 3.823 1.137 -5.884
322 HD12 LEU 40 2HD1 LEU 40 5.414 1.591 -5.275
323 HD13 LEU 40 3HD1 LEU 40 4.107 1.239 -4.143
324 HD21 LEU 40 1HD2 LEU 40 6.909 -0.116 -4.225
325 HD22 LEU 40 2HD2 LEU 40 6.407 -1.804 -4.129
326 HD23 LEU 40 3HD2 LEU 40 5.692 -0.610 -3.042
327 H CYS 41 H CYS 41 2.154 -3.293 -7.824
328 HA CYS 41 HA CYS 41 0.147 -4.787 -6.466
329 HB2 CYS 41 2HB CYS 41 1.592 -5.178 -9.094
330 HB3 CYS 41 3HB CYS 41 0.337 -6.274 -8.523
Start of MODEL 15
1 H1 SER 1 1H SER 1 -3.469 -14.380 1.790
2 H2 SER 1 2H SER 1 -3.577 -15.489 0.519
3 H3 SER 1 3H SER 1 -3.297 -13.859 0.190
4 HA SER 1 HA SER 1 -1.463 -15.659 1.645
5 HB2 SER 1 2HB SER 1 -1.175 -14.456 -1.140
6 HB3 SER 1 3HB SER 1 -0.069 -15.601 -0.374
7 HG SER 1 HG SER 1 -1.949 -16.228 -1.957
8 H GLN 2 H GLN 2 -0.012 -14.559 2.889
9 HA GLN 2 HA GLN 2 0.030 -11.719 3.056
10 HB2 GLN 2 2HB GLN 2 0.587 -13.231 4.983
11 HB3 GLN 2 3HB GLN 2 2.087 -13.672 4.173
12 HG2 GLN 2 2HG GLN 2 2.610 -12.016 5.824
13 HG3 GLN 2 3HG GLN 2 2.767 -11.254 4.244
14 HE21 GLN 2 1HE2 GLN 2 2.423 -9.957 6.764
15 HE22 GLN 2 2HE2 GLN 2 0.954 -9.051 6.693
16 H GLU 3 H GLU 3 0.655 -10.630 1.360
17 HA GLU 3 HA GLU 3 3.295 -10.747 0.163
18 HB2 GLU 3 2HB GLU 3 2.343 -12.519 -1.168
19 HB3 GLU 3 3HB GLU 3 0.790 -11.709 -1.290
20 HG2 GLU 3 2HG GLU 3 2.079 -9.919 -2.688
21 HG3 GLU 3 3HG GLU 3 3.342 -11.143 -2.816
22 H THR 4 H THR 4 0.027 -9.856 -0.784
23 HA THR 4 HA THR 4 0.630 -7.176 -1.570
24 HB THR 4 HB THR 4 -1.128 -8.165 -2.789
25 HG1 THR 4 HG1 THR 4 -2.120 -6.317 -2.609
26 HG21 THR 4 1HG2 THR 4 -2.535 -8.937 -0.205
27 HG22 THR 4 2HG2 THR 4 -1.667 -10.041 -1.275
28 HG23 THR 4 3HG2 THR 4 -3.125 -9.228 -1.845
29 H ARG 5 H ARG 5 -1.089 -8.614 1.223
30 HA ARG 5 HA ARG 5 -1.687 -6.189 2.540
31 HB2 ARG 5 2HB ARG 5 -1.231 -8.945 3.739
32 HB3 ARG 5 3HB ARG 5 -1.970 -7.586 4.568
33 HG2 ARG 5 2HG ARG 5 -3.889 -7.676 3.021
34 HG3 ARG 5 3HG ARG 5 -3.148 -9.040 2.174
35 HD2 ARG 5 2HD ARG 5 -3.236 -10.388 4.226
36 HD3 ARG 5 3HD ARG 5 -3.907 -9.025 5.123
37 HE ARG 5 HE ARG 5 -5.666 -9.578 3.010
38 HH11 ARG 5 1HH1 ARG 5 -4.469 -11.153 5.931
39 HH12 ARG 5 2HH1 ARG 5 -5.916 -12.079 6.169
40 HH21 ARG 5 1HH2 ARG 5 -7.600 -10.831 3.360
41 HH22 ARG 5 2HH2 ARG 5 -7.685 -11.901 4.721
42 H LYS 6 H LYS 6 1.115 -8.382 2.706
43 HA LYS 6 HA LYS 6 2.632 -7.142 4.724
44 HB2 LYS 6 2HB LYS 6 3.264 -9.351 4.002
45 HB3 LYS 6 3HB LYS 6 3.374 -8.869 2.324
46 HG2 LYS 6 2HG LYS 6 5.280 -7.565 4.235
47 HG3 LYS 6 3HG LYS 6 5.550 -9.269 3.877
48 HD2 LYS 6 2HD LYS 6 5.945 -8.847 1.575
49 HD3 LYS 6 3HD LYS 6 5.187 -7.255 1.640
50 HE2 LYS 6 2HE LYS 6 7.636 -7.104 1.421
51 HE3 LYS 6 3HE LYS 6 7.073 -6.377 2.925
52 HZ1 LYS 6 1HZ LYS 6 9.080 -7.740 3.216
53 HZ2 LYS 6 2HZ LYS 6 8.240 -9.104 2.687
54 HZ3 LYS 6 3HZ LYS 6 7.783 -8.341 4.115
55 H LYS 7 H LYS 7 2.600 -6.714 1.209
56 HA LYS 7 HA LYS 7 4.669 -4.793 1.021
57 HB2 LYS 7 2HB LYS 7 3.941 -6.228 -0.843
58 HB3 LYS 7 3HB LYS 7 2.371 -5.433 -0.881
59 HG2 LYS 7 2HG LYS 7 3.350 -3.379 -1.682
60 HG3 LYS 7 3HG LYS 7 4.987 -3.988 -1.412
61 HD2 LYS 7 2HD LYS 7 2.998 -5.143 -3.403
62 HD3 LYS 7 3HD LYS 7 4.324 -4.056 -3.812
63 HE2 LYS 7 2HE LYS 7 5.927 -5.780 -2.925
64 HE3 LYS 7 3HE LYS 7 4.558 -6.870 -2.695
65 HZ1 LYS 7 1HZ LYS 7 5.435 -5.724 -5.292
66 HZ2 LYS 7 2HZ LYS 7 4.133 -6.779 -5.075
67 HZ3 LYS 7 3HZ LYS 7 5.708 -7.309 -4.777
68 H CYS 8 H CYS 8 1.198 -4.576 1.503
69 HA CYS 8 HA CYS 8 0.863 -1.770 1.240
70 HB2 CYS 8 2HB CYS 8 -1.032 -3.309 1.169
71 HB3 CYS 8 3HB CYS 8 -0.724 -3.818 2.828
72 H THR 9 H THR 9 1.648 -3.904 3.980
73 HA THR 9 HA THR 9 1.612 -1.914 6.011
74 HB THR 9 HB THR 9 3.048 -4.606 5.922
75 HG1 THR 9 HG1 THR 9 0.691 -4.565 5.730
76 HG21 THR 9 1HG2 THR 9 2.404 -2.832 8.317
77 HG22 THR 9 2HG2 THR 9 4.019 -3.207 7.709
78 HG23 THR 9 3HG2 THR 9 3.025 -4.483 8.411
79 H GLU 10 H GLU 10 4.074 -3.078 3.782
80 HA GLU 10 HA GLU 10 6.311 -1.688 4.836
81 HB2 GLU 10 2HB GLU 10 6.504 -3.586 3.244
82 HB3 GLU 10 3HB GLU 10 5.804 -2.590 1.971
83 HG2 GLU 10 2HG GLU 10 7.716 -1.073 2.063
84 HG3 GLU 10 3HG GLU 10 8.396 -1.974 3.415
85 H MET 11 H MET 11 3.901 -0.866 2.361
86 HA MET 11 HA MET 11 5.023 1.702 1.746
87 HB2 MET 11 2HB MET 11 2.275 0.545 1.154
88 HB3 MET 11 3HB MET 11 2.865 2.079 0.527
89 HG2 MET 11 2HG MET 11 4.062 -0.634 -0.071
90 HG3 MET 11 3HG MET 11 2.998 0.278 -1.133
91 HE1 MET 11 1HE MET 11 6.488 0.550 0.795
92 HE2 MET 11 2HE MET 11 7.502 0.851 -0.615
93 HE3 MET 11 3HE MET 11 6.581 -0.648 -0.498
94 H LYS 12 H LYS 12 2.669 0.560 4.135
95 HA LYS 12 HA LYS 12 1.642 3.153 4.826
96 HB2 LYS 12 2HB LYS 12 1.539 0.454 6.221
97 HB3 LYS 12 3HB LYS 12 0.940 1.907 7.023
98 HG2 LYS 12 2HG LYS 12 -0.652 2.275 5.169
99 HG3 LYS 12 3HG LYS 12 -0.068 0.815 4.377
100 HD2 LYS 12 2HD LYS 12 -1.404 0.891 7.112
101 HD3 LYS 12 3HD LYS 12 -2.211 0.474 5.601
102 HE2 LYS 12 2HE LYS 12 -0.666 -1.451 5.330
103 HE3 LYS 12 3HE LYS 12 0.081 -1.047 6.878
104 HZ1 LYS 12 1HZ LYS 12 -2.713 -1.926 6.413
105 HZ2 LYS 12 2HZ LYS 12 -2.160 -1.341 7.890
106 HZ3 LYS 12 3HZ LYS 12 -1.507 -2.757 7.249
107 H LYS 13 H LYS 13 4.251 1.094 6.140
108 HA LYS 13 HA LYS 13 4.757 2.777 8.393
109 HB2 LYS 13 2HB LYS 13 6.632 1.350 8.901
110 HB3 LYS 13 3HB LYS 13 5.284 0.350 8.388
111 HG2 LYS 13 2HG LYS 13 6.370 0.154 6.128
112 HG3 LYS 13 3HG LYS 13 7.766 1.024 6.775
113 HD2 LYS 13 2HD LYS 13 8.079 -0.759 8.479
114 HD3 LYS 13 3HD LYS 13 6.680 -1.622 7.829
115 HE2 LYS 13 2HE LYS 13 8.675 -2.672 6.978
116 HE3 LYS 13 3HE LYS 13 7.899 -1.826 5.642
117 HZ1 LYS 13 1HZ LYS 13 10.247 -0.863 7.192
118 HZ2 LYS 13 2HZ LYS 13 9.496 -0.015 5.942
119 HZ3 LYS 13 3HZ LYS 13 10.268 -1.485 5.622
120 H LYS 14 H LYS 14 5.792 2.885 5.093
121 HA LYS 14 HA LYS 14 7.904 4.858 5.646
122 HB2 LYS 14 2HB LYS 14 8.344 3.078 3.966
123 HB3 LYS 14 3HB LYS 14 6.986 3.649 3.000
124 HG2 LYS 14 2HG LYS 14 8.124 5.757 2.543
125 HG3 LYS 14 3HG LYS 14 9.434 5.336 3.650
126 HD2 LYS 14 2HD LYS 14 8.773 3.838 1.084
127 HD3 LYS 14 3HD LYS 14 10.050 5.040 1.252
128 HE2 LYS 14 2HE LYS 14 11.202 3.627 2.877
129 HE3 LYS 14 3HE LYS 14 9.902 2.443 2.801
130 HZ1 LYS 14 1HZ LYS 14 11.686 3.195 0.555
131 HZ2 LYS 14 2HZ LYS 14 10.437 2.064 0.474
132 HZ3 LYS 14 3HZ LYS 14 11.777 1.775 1.462
133 H PHE 15 H PHE 15 5.013 4.619 3.538
134 HA PHE 15 HA PHE 15 4.899 7.549 3.267
135 HB2 PHE 15 2HB PHE 15 3.196 5.454 1.848
136 HB3 PHE 15 3HB PHE 15 3.386 7.137 1.399
137 HD1 PHE 15 HD1 PHE 15 4.580 3.802 0.885
138 HD2 PHE 15 HD2 PHE 15 5.784 7.907 0.634
139 HE1 PHE 15 HE1 PHE 15 6.410 3.174 -0.627
140 HE2 PHE 15 HE2 PHE 15 7.619 7.257 -0.886
141 HZ PHE 15 HZ PHE 15 7.921 4.887 -1.522
142 H LYS 16 H LYS 16 4.270 6.984 5.796
143 HA LYS 16 HA LYS 16 1.453 6.600 6.237
144 HB2 LYS 16 2HB LYS 16 1.983 7.216 8.618
145 HB3 LYS 16 3HB LYS 16 2.917 5.873 7.971
146 HG2 LYS 16 2HG LYS 16 4.847 7.400 7.612
147 HG3 LYS 16 3HG LYS 16 3.909 8.718 8.322
148 HD2 LYS 16 2HD LYS 16 5.464 7.761 9.980
149 HD3 LYS 16 3HD LYS 16 3.788 7.495 10.468
150 HE2 LYS 16 2HE LYS 16 3.932 5.165 9.624
151 HE3 LYS 16 3HE LYS 16 5.611 5.447 9.160
152 HZ1 LYS 16 1HZ LYS 16 4.558 5.598 11.936
153 HZ2 LYS 16 2HZ LYS 16 6.171 5.801 11.473
154 HZ3 LYS 16 3HZ LYS 16 5.421 4.301 11.290
155 H ASN 17 H ASN 17 2.959 9.128 4.864
156 HA ASN 17 HA ASN 17 0.934 11.109 5.771
157 HB2 ASN 17 2HB ASN 17 3.560 11.554 4.262
158 HB3 ASN 17 3HB ASN 17 2.417 12.817 4.704
159 HD21 ASN 17 1HD2 ASN 17 4.767 10.537 5.928
160 HD22 ASN 17 2HD2 ASN 17 4.973 11.285 7.473
161 H CYS 18 H CYS 18 0.714 8.751 3.874
162 HA CYS 18 HA CYS 18 -0.478 10.140 1.571
163 HB2 CYS 18 2HB CYS 18 1.503 7.832 1.326
164 HB3 CYS 18 3HB CYS 18 0.663 8.623 -0.005
165 H GLU 19 H GLU 19 -2.062 8.805 0.411
166 HA GLU 19 HA GLU 19 -3.579 7.098 2.182
167 HB2 GLU 19 2HB GLU 19 -4.593 8.801 0.510
168 HB3 GLU 19 3HB GLU 19 -4.204 7.649 -0.749
169 HG2 GLU 19 2HG GLU 19 -5.670 5.967 0.222
170 HG3 GLU 19 3HG GLU 19 -5.974 6.988 1.629
171 H VAL 20 H VAL 20 -1.956 5.399 2.345
172 HA VAL 20 HA VAL 20 -1.501 3.595 0.101
173 HB VAL 20 HB VAL 20 -0.886 3.247 3.080
174 HG11 VAL 20 1HG1 VAL 20 0.114 1.660 0.684
175 HG12 VAL 20 2HG1 VAL 20 -1.026 1.087 1.905
176 HG13 VAL 20 3HG1 VAL 20 0.642 1.443 2.355
177 HG21 VAL 20 1HG2 VAL 20 0.963 4.149 0.852
178 HG22 VAL 20 2HG2 VAL 20 1.420 3.869 2.533
179 HG23 VAL 20 3HG2 VAL 20 0.304 5.174 2.129
180 H ARG 21 H ARG 21 -3.046 2.038 -0.475
181 HA ARG 21 HA ARG 21 -4.770 0.952 1.704
182 HB2 ARG 21 2HB ARG 21 -5.566 1.569 -1.172
183 HB3 ARG 21 3HB ARG 21 -6.563 0.650 -0.049
184 HG2 ARG 21 2HG ARG 21 -6.637 2.670 1.447
185 HG3 ARG 21 3HG ARG 21 -5.766 3.571 0.204
186 HD2 ARG 21 2HD ARG 21 -7.622 3.130 -1.389
187 HD3 ARG 21 3HD ARG 21 -8.498 2.270 -0.118
188 HE ARG 21 HE ARG 21 -7.869 4.885 0.771
189 HH11 ARG 21 1HH1 ARG 21 -10.033 3.252 -1.492
190 HH12 ARG 21 2HH1 ARG 21 -11.238 4.498 -1.431
191 HH21 ARG 21 1HH2 ARG 21 -9.423 6.543 0.790
192 HH22 ARG 21 2HH2 ARG 21 -10.887 6.375 -0.126
193 H CYS 22 H CYS 22 -4.758 -1.183 1.925
194 HA CYS 22 HA CYS 22 -3.129 -2.911 0.299
195 HB2 CYS 22 2HB CYS 22 -5.079 -3.865 2.420
196 HB3 CYS 22 3HB CYS 22 -3.511 -4.535 1.981
197 H ASP 23 H ASP 23 -3.879 -4.508 -1.135
198 HA ASP 23 HA ASP 23 -6.782 -4.707 -1.656
199 HB2 ASP 23 2HB ASP 23 -4.718 -3.969 -3.780
200 HB3 ASP 23 3HB ASP 23 -6.328 -4.558 -4.166
201 H GLU 24 H GLU 24 -6.523 -6.748 -0.655
202 HA GLU 24 HA GLU 24 -4.676 -8.721 -1.490
203 HB2 GLU 24 2HB GLU 24 -5.974 -10.277 -0.128
204 HB3 GLU 24 3HB GLU 24 -5.748 -8.751 0.721
205 HG2 GLU 24 2HG GLU 24 -8.066 -8.088 0.004
206 HG3 GLU 24 3HG GLU 24 -8.267 -9.713 -0.658
207 H SER 25 H SER 25 -7.929 -7.935 -2.530
208 HA SER 25 HA SER 25 -8.487 -10.203 -4.106
209 HB2 SER 25 2HB SER 25 -9.522 -7.360 -4.472
210 HB3 SER 25 3HB SER 25 -10.298 -8.843 -5.038
211 HG SER 25 HG SER 25 -10.967 -9.268 -3.072
212 H ASN 26 H ASN 26 -7.056 -7.079 -4.891
213 HA ASN 26 HA ASN 26 -6.634 -7.632 -7.696
214 HB2 ASN 26 2HB ASN 26 -5.654 -5.329 -5.944
215 HB3 ASN 26 3HB ASN 26 -5.493 -5.411 -7.697
216 HD21 ASN 26 1HD2 ASN 26 -6.652 -3.441 -7.820
217 HD22 ASN 26 2HD2 ASN 26 -8.371 -3.409 -7.665
218 H HIS 27 H HIS 27 -4.952 -8.197 -4.756
219 HA HIS 27 HA HIS 27 -2.884 -8.809 -4.114
220 HB2 HIS 27 2HB HIS 27 -2.630 -9.757 -7.001
221 HB3 HIS 27 3HB HIS 27 -1.457 -10.118 -5.735
222 HD1 HIS 27 HD1 HIS 27 -2.004 -11.987 -4.110
223 HD2 HIS 27 HD2 HIS 27 -5.179 -11.071 -6.633
224 HE1 HIS 27 HE1 HIS 27 -3.728 -13.774 -3.716
225 HE2 HIS 27 HE2 HIS 27 -5.515 -13.321 -5.419
226 H CYS 28 H CYS 28 -3.334 -6.183 -4.740
227 HA CYS 28 HA CYS 28 -0.672 -5.178 -5.504
228 HB2 CYS 28 2HB CYS 28 -3.353 -4.174 -6.524
229 HB3 CYS 28 3HB CYS 28 -1.844 -3.280 -6.694
230 H VAL 29 H VAL 29 -0.565 -2.768 -4.936
231 HA VAL 29 HA VAL 29 -2.130 -1.992 -2.543
232 HB VAL 29 HB VAL 29 0.914 -1.692 -2.854
233 HG11 VAL 29 1HG1 VAL 29 -0.844 -0.886 -0.504
234 HG12 VAL 29 2HG1 VAL 29 -0.067 0.219 -1.642
235 HG13 VAL 29 3HG1 VAL 29 0.919 -0.778 -0.570
236 HG21 VAL 29 1HG2 VAL 29 -0.623 -3.476 -0.941
237 HG22 VAL 29 2HG2 VAL 29 1.131 -3.253 -0.967
238 HG23 VAL 29 3HG2 VAL 29 0.315 -4.010 -2.338
239 H GLU 30 H GLU 30 -3.190 -0.134 -3.271
240 HA GLU 30 HA GLU 30 -1.718 1.596 -5.175
241 HB2 GLU 30 2HB GLU 30 -3.912 0.800 -5.968
242 HB3 GLU 30 3HB GLU 30 -4.698 1.582 -4.603
243 HG2 GLU 30 2HG GLU 30 -4.285 3.745 -5.410
244 HG3 GLU 30 3HG GLU 30 -2.971 3.215 -6.449
245 H VAL 31 H VAL 31 -0.769 3.226 -4.396
246 HA VAL 31 HA VAL 31 -1.522 4.521 -1.863
247 HB VAL 31 HB VAL 31 1.138 4.572 -3.354
248 HG11 VAL 31 1HG1 VAL 31 2.044 5.452 -1.232
249 HG12 VAL 31 2HG1 VAL 31 0.413 5.485 -0.554
250 HG13 VAL 31 3HG1 VAL 31 0.822 6.517 -1.929
251 HG21 VAL 31 1HG2 VAL 31 0.355 2.854 -0.982
252 HG22 VAL 31 2HG2 VAL 31 1.981 2.988 -1.666
253 HG23 VAL 31 3HG2 VAL 31 0.671 2.294 -2.629
254 H ARG 32 H ARG 32 -2.715 6.333 -2.358
255 HA ARG 32 HA ARG 32 -1.732 8.227 -4.391
256 HB2 ARG 32 2HB ARG 32 -4.234 8.130 -2.661
257 HB3 ARG 32 3HB ARG 32 -3.747 9.616 -3.469
258 HG2 ARG 32 2HG ARG 32 -5.318 8.662 -4.909
259 HG3 ARG 32 3HG ARG 32 -3.755 8.278 -5.616
260 HD2 ARG 32 2HD ARG 32 -5.176 6.319 -5.773
261 HD3 ARG 32 3HD ARG 32 -3.916 5.980 -4.576
262 HE ARG 32 HE ARG 32 -5.888 6.934 -3.033
263 HH11 ARG 32 1HH1 ARG 32 -6.016 4.386 -5.480
264 HH12 ARG 32 2HH1 ARG 32 -7.340 3.577 -4.703
265 HH21 ARG 32 1HH2 ARG 32 -7.697 5.907 -2.143
266 HH22 ARG 32 2HH2 ARG 32 -8.283 4.433 -2.839
267 H CYS 33 H CYS 33 -1.446 10.573 -3.589
268 HA CYS 33 HA CYS 33 -1.087 10.986 -0.739
269 HB2 CYS 33 2HB CYS 33 1.126 9.953 -1.687
270 HB3 CYS 33 3HB CYS 33 1.381 11.528 -2.412
271 H SER 34 H SER 34 0.258 12.557 -3.663
272 HA SER 34 HA SER 34 -1.658 14.729 -3.632
273 HB2 SER 34 2HB SER 34 1.276 15.307 -2.982
274 HB3 SER 34 3HB SER 34 0.074 16.538 -3.358
275 HG SER 34 HG SER 34 -1.033 15.263 -1.452
276 H ASP 35 H ASP 35 1.673 13.996 -4.721
277 HA ASP 35 HA ASP 35 0.922 14.599 -7.544
278 HB2 ASP 35 2HB ASP 35 3.521 15.228 -6.071
279 HB3 ASP 35 3HB ASP 35 3.303 15.422 -7.802
280 H THR 36 H THR 36 1.170 11.976 -5.906
281 HA THR 36 HA THR 36 3.359 10.681 -7.431
282 HB THR 36 HB THR 36 3.262 8.926 -5.606
283 HG1 THR 36 HG1 THR 36 2.247 9.568 -3.640
284 HG21 THR 36 1HG2 THR 36 5.024 10.647 -5.597
285 HG22 THR 36 2HG2 THR 36 4.533 10.264 -3.944
286 HG23 THR 36 3HG2 THR 36 3.963 11.746 -4.716
287 H LYS 37 H LYS 37 0.602 9.117 -5.779
288 HA LYS 37 HA LYS 37 -0.907 7.579 -6.393
289 HB2 LYS 37 2HB LYS 37 -1.654 9.693 -7.720
290 HB3 LYS 37 3HB LYS 37 -1.061 8.862 -9.144
291 HG2 LYS 37 2HG LYS 37 -3.234 7.788 -7.305
292 HG3 LYS 37 3HG LYS 37 -3.543 8.702 -8.778
293 HD2 LYS 37 2HD LYS 37 -2.196 5.987 -8.605
294 HD3 LYS 37 3HD LYS 37 -3.851 6.290 -9.125
295 HE2 LYS 37 2HE LYS 37 -1.343 7.240 -10.562
296 HE3 LYS 37 3HE LYS 37 -2.372 5.894 -11.042
297 HZ1 LYS 37 1HZ LYS 37 -3.245 8.726 -10.898
298 HZ2 LYS 37 2HZ LYS 37 -4.176 7.416 -11.417
299 HZ3 LYS 37 3HZ LYS 37 -2.822 7.900 -12.307
300 H TYR 38 H TYR 38 0.401 5.770 -6.308
301 HA TYR 38 HA TYR 38 1.144 4.524 -8.861
302 HB2 TYR 38 2HB TYR 38 3.261 3.633 -7.707
303 HB3 TYR 38 3HB TYR 38 3.273 5.318 -8.177
304 HD1 TYR 38 HD1 TYR 38 3.236 2.999 -5.338
305 HD2 TYR 38 HD2 TYR 38 3.255 7.098 -6.495
306 HE1 TYR 38 HE1 TYR 38 3.841 3.629 -3.052
307 HE2 TYR 38 HE2 TYR 38 3.861 7.733 -4.203
308 HH TYR 38 HH TYR 38 4.870 5.472 -1.888
309 H THR 39 H THR 39 1.328 2.188 -8.767
310 HA THR 39 HA THR 39 -0.086 0.937 -6.492
311 HB THR 39 HB THR 39 -0.509 0.161 -9.424
312 HG1 THR 39 HG1 THR 39 -2.580 1.384 -8.004
313 HG21 THR 39 1HG2 THR 39 -2.062 -0.567 -6.910
314 HG22 THR 39 2HG2 THR 39 -0.976 -1.644 -7.793
315 HG23 THR 39 3HG2 THR 39 -2.464 -1.073 -8.555
316 H LEU 40 H LEU 40 1.376 -0.391 -5.526
317 HA LEU 40 HA LEU 40 3.508 -1.727 -7.005
318 HB2 LEU 40 2HB LEU 40 2.825 -1.565 -4.044
319 HB3 LEU 40 3HB LEU 40 4.036 -2.671 -4.661
320 HG LEU 40 HG LEU 40 5.185 -0.539 -5.649
321 HD11 LEU 40 1HD1 LEU 40 3.432 0.749 -3.551
322 HD12 LEU 40 2HD1 LEU 40 3.376 1.035 -5.294
323 HD13 LEU 40 3HD1 LEU 40 4.798 1.520 -4.365
324 HD21 LEU 40 1HD2 LEU 40 5.173 -1.023 -2.655
325 HD22 LEU 40 2HD2 LEU 40 6.433 -0.191 -3.572
326 HD23 LEU 40 3HD2 LEU 40 6.134 -1.906 -3.844
327 H CYS 41 H CYS 41 3.045 -3.618 -7.998
328 HA CYS 41 HA CYS 41 1.121 -5.518 -6.773
329 HB2 CYS 41 2HB CYS 41 1.660 -5.021 -9.727
330 HB3 CYS 41 3HB CYS 41 0.591 -6.270 -9.089
Start of MODEL 16
1 H1 SER 1 1H SER 1 -0.510 -15.699 2.116
2 H2 SER 1 2H SER 1 -0.292 -16.098 3.744
3 H3 SER 1 3H SER 1 -0.281 -17.310 2.568
4 HA SER 1 HA SER 1 1.931 -16.844 3.303
5 HB2 SER 1 2HB SER 1 1.354 -15.883 0.472
6 HB3 SER 1 3HB SER 1 2.929 -16.435 1.050
7 HG SER 1 HG SER 1 1.956 -18.477 1.462
8 H GLN 2 H GLN 2 0.011 -14.111 3.165
9 HA GLN 2 HA GLN 2 0.242 -11.897 3.503
10 HB2 GLN 2 2HB GLN 2 1.291 -12.782 5.624
11 HB3 GLN 2 3HB GLN 2 2.869 -12.651 4.856
12 HG2 GLN 2 2HG GLN 2 2.458 -10.164 4.625
13 HG3 GLN 2 3HG GLN 2 0.987 -10.386 5.578
14 HE21 GLN 2 1HE2 GLN 2 4.498 -10.526 5.653
15 HE22 GLN 2 2HE2 GLN 2 4.655 -10.433 7.372
16 H GLU 3 H GLU 3 0.501 -11.985 1.115
17 HA GLU 3 HA GLU 3 3.162 -11.533 -0.008
18 HB2 GLU 3 2HB GLU 3 1.753 -11.529 -2.212
19 HB3 GLU 3 3HB GLU 3 1.951 -13.042 -1.340
20 HG2 GLU 3 2HG GLU 3 -0.289 -12.969 -0.486
21 HG3 GLU 3 3HG GLU 3 -0.480 -11.281 -0.954
22 H THR 4 H THR 4 0.373 -9.899 -1.396
23 HA THR 4 HA THR 4 1.560 -7.397 -1.600
24 HB THR 4 HB THR 4 -0.134 -8.187 -3.142
25 HG1 THR 4 HG1 THR 4 -0.258 -6.071 -3.216
26 HG21 THR 4 1HG2 THR 4 -1.501 -9.561 -1.628
27 HG22 THR 4 2HG2 THR 4 -2.503 -8.421 -2.521
28 HG23 THR 4 3HG2 THR 4 -2.117 -8.104 -0.831
29 H ARG 5 H ARG 5 -0.411 -8.846 0.905
30 HA ARG 5 HA ARG 5 -1.254 -6.556 2.311
31 HB2 ARG 5 2HB ARG 5 -0.669 -9.348 3.386
32 HB3 ARG 5 3HB ARG 5 -1.516 -8.081 4.272
33 HG2 ARG 5 2HG ARG 5 -3.283 -8.102 2.484
34 HG3 ARG 5 3HG ARG 5 -2.475 -9.501 1.764
35 HD2 ARG 5 2HD ARG 5 -2.823 -10.779 3.843
36 HD3 ARG 5 3HD ARG 5 -3.557 -9.362 4.603
37 HE ARG 5 HE ARG 5 -4.911 -10.117 2.209
38 HH11 ARG 5 1HH1 ARG 5 -4.628 -10.987 5.611
39 HH12 ARG 5 2HH1 ARG 5 -6.213 -11.682 5.690
40 HH21 ARG 5 1HH2 ARG 5 -7.028 -10.985 2.354
41 HH22 ARG 5 2HH2 ARG 5 -7.563 -11.682 3.846
42 H LYS 6 H LYS 6 1.712 -8.567 2.598
43 HA LYS 6 HA LYS 6 2.981 -7.271 4.727
44 HB2 LYS 6 2HB LYS 6 4.083 -9.257 4.128
45 HB3 LYS 6 3HB LYS 6 3.954 -8.941 2.409
46 HG2 LYS 6 2HG LYS 6 5.779 -7.158 3.981
47 HG3 LYS 6 3HG LYS 6 6.299 -8.823 3.764
48 HD2 LYS 6 2HD LYS 6 6.775 -8.528 1.536
49 HD3 LYS 6 3HD LYS 6 5.363 -7.512 1.254
50 HE2 LYS 6 2HE LYS 6 7.380 -6.243 0.838
51 HE3 LYS 6 3HE LYS 6 6.574 -5.597 2.267
52 HZ1 LYS 6 1HZ LYS 6 8.179 -6.879 3.639
53 HZ2 LYS 6 2HZ LYS 6 8.924 -5.727 2.660
54 HZ3 LYS 6 3HZ LYS 6 8.978 -7.358 2.227
55 H LYS 7 H LYS 7 2.889 -6.571 1.300
56 HA LYS 7 HA LYS 7 4.875 -4.576 1.208
57 HB2 LYS 7 2HB LYS 7 4.064 -5.898 -0.717
58 HB3 LYS 7 3HB LYS 7 2.524 -5.053 -0.657
59 HG2 LYS 7 2HG LYS 7 3.510 -2.990 -1.397
60 HG3 LYS 7 3HG LYS 7 5.148 -3.588 -1.097
61 HD2 LYS 7 2HD LYS 7 3.247 -4.696 -3.199
62 HD3 LYS 7 3HD LYS 7 4.572 -3.574 -3.522
63 HE2 LYS 7 2HE LYS 7 6.223 -5.233 -2.864
64 HE3 LYS 7 3HE LYS 7 4.972 -6.320 -2.269
65 HZ1 LYS 7 1HZ LYS 7 5.844 -6.991 -4.410
66 HZ2 LYS 7 2HZ LYS 7 5.313 -5.549 -5.110
67 HZ3 LYS 7 3HZ LYS 7 4.194 -6.648 -4.489
68 H CYS 8 H CYS 8 1.310 -4.395 1.475
69 HA CYS 8 HA CYS 8 1.117 -1.580 1.516
70 HB2 CYS 8 2HB CYS 8 -0.816 -3.067 1.033
71 HB3 CYS 8 3HB CYS 8 -0.835 -3.574 2.724
72 H THR 9 H THR 9 1.375 -4.002 4.117
73 HA THR 9 HA THR 9 1.162 -2.401 6.388
74 HB THR 9 HB THR 9 2.917 -4.875 5.976
75 HG1 THR 9 HG1 THR 9 0.553 -5.031 5.658
76 HG21 THR 9 1HG2 THR 9 2.833 -5.195 8.412
77 HG22 THR 9 2HG2 THR 9 1.908 -3.702 8.588
78 HG23 THR 9 3HG2 THR 9 3.578 -3.638 8.026
79 H GLU 10 H GLU 10 3.945 -3.195 4.390
80 HA GLU 10 HA GLU 10 5.973 -1.903 5.917
81 HB2 GLU 10 2HB GLU 10 6.415 -3.814 4.425
82 HB3 GLU 10 3HB GLU 10 5.896 -2.879 3.026
83 HG2 GLU 10 2HG GLU 10 7.807 -1.321 3.417
84 HG3 GLU 10 3HG GLU 10 8.349 -2.364 4.734
85 H MET 11 H MET 11 3.996 -0.968 3.130
86 HA MET 11 HA MET 11 5.463 1.469 2.624
87 HB2 MET 11 2HB MET 11 2.933 0.370 1.351
88 HB3 MET 11 3HB MET 11 3.713 1.876 0.861
89 HG2 MET 11 2HG MET 11 4.858 -0.921 0.671
90 HG3 MET 11 3HG MET 11 4.425 0.162 -0.654
91 HE1 MET 11 1HE MET 11 7.261 -1.399 -0.237
92 HE2 MET 11 2HE MET 11 8.412 -0.149 -0.706
93 HE3 MET 11 3HE MET 11 6.952 -0.398 -1.663
94 H LYS 12 H LYS 12 2.597 0.648 4.464
95 HA LYS 12 HA LYS 12 1.683 3.324 4.894
96 HB2 LYS 12 2HB LYS 12 1.277 0.749 6.455
97 HB3 LYS 12 3HB LYS 12 0.625 2.284 7.027
98 HG2 LYS 12 2HG LYS 12 -0.710 2.522 5.001
99 HG3 LYS 12 3HG LYS 12 -0.014 1.052 4.324
100 HD2 LYS 12 2HD LYS 12 -1.731 1.176 6.843
101 HD3 LYS 12 3HD LYS 12 -2.322 0.726 5.239
102 HE2 LYS 12 2HE LYS 12 -0.684 -1.178 5.243
103 HE3 LYS 12 3HE LYS 12 -0.263 -0.758 6.903
104 HZ1 LYS 12 1HZ LYS 12 -2.579 -1.159 7.528
105 HZ2 LYS 12 2HZ LYS 12 -1.863 -2.535 6.869
106 HZ3 LYS 12 3HZ LYS 12 -2.943 -1.621 5.944
107 H LYS 13 H LYS 13 4.203 1.334 6.323
108 HA LYS 13 HA LYS 13 4.886 3.005 8.527
109 HB2 LYS 13 2HB LYS 13 6.580 0.992 6.999
110 HB3 LYS 13 3HB LYS 13 7.041 1.722 8.536
111 HG2 LYS 13 2HG LYS 13 5.209 0.612 9.679
112 HG3 LYS 13 3HG LYS 13 4.566 0.001 8.149
113 HD2 LYS 13 2HD LYS 13 6.686 -1.320 7.850
114 HD3 LYS 13 3HD LYS 13 7.217 -0.757 9.437
115 HE2 LYS 13 2HE LYS 13 4.731 -2.423 8.911
116 HE3 LYS 13 3HE LYS 13 6.264 -3.047 9.525
117 HZ1 LYS 13 1HZ LYS 13 4.710 -2.689 11.317
118 HZ2 LYS 13 2HZ LYS 13 4.516 -1.067 10.892
119 HZ3 LYS 13 3HZ LYS 13 6.005 -1.614 11.474
120 H LYS 14 H LYS 14 6.047 2.796 5.178
121 HA LYS 14 HA LYS 14 8.033 4.880 5.405
122 HB2 LYS 14 2HB LYS 14 6.760 3.554 2.962
123 HB3 LYS 14 3HB LYS 14 8.077 4.721 2.865
124 HG2 LYS 14 2HG LYS 14 9.565 3.192 4.058
125 HG3 LYS 14 3HG LYS 14 8.248 2.034 4.278
126 HD2 LYS 14 2HD LYS 14 8.111 1.666 1.870
127 HD3 LYS 14 3HD LYS 14 9.310 2.924 1.560
128 HE2 LYS 14 2HE LYS 14 10.182 0.559 1.397
129 HE3 LYS 14 3HE LYS 14 11.064 1.581 2.532
130 HZ1 LYS 14 1HZ LYS 14 10.020 0.529 4.354
131 HZ2 LYS 14 2HZ LYS 14 10.522 -0.717 3.327
132 HZ3 LYS 14 3HZ LYS 14 8.898 -0.252 3.367
133 H PHE 15 H PHE 15 5.058 4.681 3.495
134 HA PHE 15 HA PHE 15 4.934 7.566 3.116
135 HB2 PHE 15 2HB PHE 15 3.122 5.456 1.889
136 HB3 PHE 15 3HB PHE 15 3.448 7.067 1.274
137 HD1 PHE 15 HD1 PHE 15 3.952 3.820 0.453
138 HD2 PHE 15 HD2 PHE 15 6.302 7.341 1.113
139 HE1 PHE 15 HE1 PHE 15 5.751 2.888 -0.935
140 HE2 PHE 15 HE2 PHE 15 8.088 6.394 -0.278
141 HZ PHE 15 HZ PHE 15 7.818 4.173 -1.301
142 H LYS 16 H LYS 16 4.419 7.519 5.577
143 HA LYS 16 HA LYS 16 1.885 6.738 6.560
144 HB2 LYS 16 2HB LYS 16 3.783 7.154 8.045
145 HB3 LYS 16 3HB LYS 16 3.862 8.839 7.535
146 HG2 LYS 16 2HG LYS 16 1.612 9.213 8.551
147 HG3 LYS 16 3HG LYS 16 1.629 7.541 9.129
148 HD2 LYS 16 2HD LYS 16 3.625 8.014 10.503
149 HD3 LYS 16 3HD LYS 16 3.683 9.670 9.881
150 HE2 LYS 16 2HE LYS 16 1.487 10.121 10.901
151 HE3 LYS 16 3HE LYS 16 1.437 8.471 11.526
152 HZ1 LYS 16 1HZ LYS 16 3.477 10.508 12.236
153 HZ2 LYS 16 2HZ LYS 16 3.376 8.941 12.859
154 HZ3 LYS 16 3HZ LYS 16 2.159 10.067 13.200
155 H ASN 17 H ASN 17 3.039 9.700 5.013
156 HA ASN 17 HA ASN 17 0.560 11.175 5.466
157 HB2 ASN 17 2HB ASN 17 3.105 11.938 3.977
158 HB3 ASN 17 3HB ASN 17 1.740 13.024 4.223
159 HD21 ASN 17 1HD2 ASN 17 4.527 13.259 5.128
160 HD22 ASN 17 2HD2 ASN 17 4.462 13.428 6.848
161 H CYS 18 H CYS 18 1.075 8.733 3.530
162 HA CYS 18 HA CYS 18 -0.481 9.789 1.239
163 HB2 CYS 18 2HB CYS 18 1.510 7.494 1.336
164 HB3 CYS 18 3HB CYS 18 0.463 7.839 -0.029
165 H GLU 19 H GLU 19 -2.029 8.354 0.324
166 HA GLU 19 HA GLU 19 -3.420 6.664 2.254
167 HB2 GLU 19 2HB GLU 19 -4.724 8.293 0.896
168 HB3 GLU 19 3HB GLU 19 -4.187 7.507 -0.579
169 HG2 GLU 19 2HG GLU 19 -6.435 6.790 -0.157
170 HG3 GLU 19 3HG GLU 19 -5.378 5.419 0.161
171 H VAL 20 H VAL 20 -1.797 5.010 2.345
172 HA VAL 20 HA VAL 20 -1.181 3.426 -0.032
173 HB VAL 20 HB VAL 20 -0.555 2.894 2.912
174 HG11 VAL 20 1HG1 VAL 20 1.159 1.319 2.076
175 HG12 VAL 20 2HG1 VAL 20 0.639 1.633 0.416
176 HG13 VAL 20 3HG1 VAL 20 -0.455 0.834 1.548
177 HG21 VAL 20 1HG2 VAL 20 1.683 3.766 2.447
178 HG22 VAL 20 2HG2 VAL 20 0.460 4.995 2.116
179 HG23 VAL 20 3HG2 VAL 20 1.211 4.119 0.782
180 H ARG 21 H ARG 21 -2.815 2.169 -0.756
181 HA ARG 21 HA ARG 21 -4.970 1.278 1.027
182 HB2 ARG 21 2HB ARG 21 -4.828 1.426 -2.014
183 HB3 ARG 21 3HB ARG 21 -6.236 0.890 -1.093
184 HG2 ARG 21 2HG ARG 21 -6.412 3.130 -0.058
185 HG3 ARG 21 3HG ARG 21 -5.007 3.674 -0.980
186 HD2 ARG 21 2HD ARG 21 -7.147 4.414 -2.000
187 HD3 ARG 21 3HD ARG 21 -6.224 3.355 -3.077
188 HE ARG 21 HE ARG 21 -8.367 2.231 -1.388
189 HH11 ARG 21 1HH1 ARG 21 -7.184 2.952 -4.635
190 HH12 ARG 21 2HH1 ARG 21 -8.359 1.953 -5.414
191 HH21 ARG 21 1HH2 ARG 21 -9.845 0.864 -2.438
192 HH22 ARG 21 2HH2 ARG 21 -9.863 0.767 -4.171
193 H CYS 22 H CYS 22 -4.706 -0.692 1.828
194 HA CYS 22 HA CYS 22 -3.171 -2.795 0.610
195 HB2 CYS 22 2HB CYS 22 -5.155 -3.027 2.919
196 HB3 CYS 22 3HB CYS 22 -3.808 -4.108 2.559
197 H ASP 23 H ASP 23 -3.929 -4.500 -0.609
198 HA ASP 23 HA ASP 23 -6.721 -5.209 -0.752
199 HB2 ASP 23 2HB ASP 23 -6.888 -3.444 -2.381
200 HB3 ASP 23 3HB ASP 23 -5.362 -3.887 -3.141
201 H GLU 24 H GLU 24 -7.011 -7.233 -1.397
202 HA GLU 24 HA GLU 24 -4.792 -8.862 -2.451
203 HB2 GLU 24 2HB GLU 24 -5.677 -10.630 -0.657
204 HB3 GLU 24 3HB GLU 24 -4.534 -9.383 -0.184
205 HG2 GLU 24 2HG GLU 24 -6.204 -9.538 1.534
206 HG3 GLU 24 3HG GLU 24 -6.403 -8.005 0.696
207 H SER 25 H SER 25 -7.632 -7.691 -3.195
208 HA SER 25 HA SER 25 -8.974 -10.137 -4.096
209 HB2 SER 25 2HB SER 25 -9.683 -7.228 -4.668
210 HB3 SER 25 3HB SER 25 -10.725 -8.642 -4.862
211 HG SER 25 HG SER 25 -9.736 -7.524 -2.438
212 H ASN 26 H ASN 26 -7.777 -7.124 -5.609
213 HA ASN 26 HA ASN 26 -7.075 -8.418 -8.130
214 HB2 ASN 26 2HB ASN 26 -7.867 -6.061 -8.098
215 HB3 ASN 26 3HB ASN 26 -6.519 -5.607 -7.064
216 HD21 ASN 26 1HD2 ASN 26 -5.752 -4.071 -8.507
217 HD22 ASN 26 2HD2 ASN 26 -5.030 -4.470 -10.025
218 H HIS 27 H HIS 27 -5.664 -7.749 -5.045
219 HA HIS 27 HA HIS 27 -3.815 -8.466 -4.002
220 HB2 HIS 27 2HB HIS 27 -3.104 -9.850 -6.621
221 HB3 HIS 27 3HB HIS 27 -2.150 -9.995 -5.152
222 HD1 HIS 27 HD1 HIS 27 -2.946 -11.652 -3.399
223 HD2 HIS 27 HD2 HIS 27 -5.653 -11.190 -6.500
224 HE1 HIS 27 HE1 HIS 27 -4.625 -13.482 -3.098
225 HE2 HIS 27 HE2 HIS 27 -6.125 -13.297 -5.118
226 H CYS 28 H CYS 28 -4.000 -5.884 -5.203
227 HA CYS 28 HA CYS 28 -1.131 -5.219 -5.523
228 HB2 CYS 28 2HB CYS 28 -3.341 -4.086 -7.276
229 HB3 CYS 28 3HB CYS 28 -1.654 -3.604 -7.318
230 H VAL 29 H VAL 29 -0.471 -3.293 -4.619
231 HA VAL 29 HA VAL 29 -2.320 -1.983 -2.721
232 HB VAL 29 HB VAL 29 0.725 -1.838 -2.919
233 HG11 VAL 29 1HG1 VAL 29 0.643 -0.870 -0.636
234 HG12 VAL 29 2HG1 VAL 29 -1.120 -0.863 -0.714
235 HG13 VAL 29 3HG1 VAL 29 -0.185 0.148 -1.817
236 HG21 VAL 29 1HG2 VAL 29 0.784 -3.347 -0.974
237 HG22 VAL 29 2HG2 VAL 29 -0.004 -4.117 -2.354
238 HG23 VAL 29 3HG2 VAL 29 -0.976 -3.487 -1.021
239 H GLU 30 H GLU 30 -3.235 -0.109 -3.471
240 HA GLU 30 HA GLU 30 -1.831 1.601 -5.408
241 HB2 GLU 30 2HB GLU 30 -4.208 1.190 -5.874
242 HB3 GLU 30 3HB GLU 30 -4.655 1.783 -4.275
243 HG2 GLU 30 2HG GLU 30 -3.752 4.040 -4.918
244 HG3 GLU 30 3HG GLU 30 -3.436 3.412 -6.530
245 H VAL 31 H VAL 31 -0.402 3.028 -4.497
246 HA VAL 31 HA VAL 31 -1.073 4.301 -1.918
247 HB VAL 31 HB VAL 31 1.505 4.549 -3.506
248 HG11 VAL 31 1HG1 VAL 31 2.461 5.334 -1.353
249 HG12 VAL 31 2HG1 VAL 31 0.854 5.243 -0.623
250 HG13 VAL 31 3HG1 VAL 31 1.165 6.384 -1.935
251 HG21 VAL 31 1HG2 VAL 31 0.922 2.645 -1.213
252 HG22 VAL 31 2HG2 VAL 31 2.505 2.913 -1.956
253 HG23 VAL 31 3HG2 VAL 31 1.197 2.197 -2.902
254 H ARG 32 H ARG 32 -2.411 5.984 -2.276
255 HA ARG 32 HA ARG 32 -2.042 7.832 -4.504
256 HB2 ARG 32 2HB ARG 32 -4.343 7.073 -3.825
257 HB3 ARG 32 3HB ARG 32 -4.104 7.845 -2.260
258 HG2 ARG 32 2HG ARG 32 -3.806 10.051 -3.514
259 HG3 ARG 32 3HG ARG 32 -4.323 9.199 -4.969
260 HD2 ARG 32 2HD ARG 32 -5.927 9.660 -2.436
261 HD3 ARG 32 3HD ARG 32 -6.236 10.350 -4.030
262 HE ARG 32 HE ARG 32 -6.711 8.007 -4.778
263 HH11 ARG 32 1HH1 ARG 32 -7.097 8.848 -1.370
264 HH12 ARG 32 2HH1 ARG 32 -8.257 7.596 -1.064
265 HH21 ARG 32 1HH2 ARG 32 -8.240 6.372 -4.368
266 HH22 ARG 32 2HH2 ARG 32 -8.906 6.188 -2.774
267 H CYS 33 H CYS 33 -0.075 8.793 -3.972
268 HA CYS 33 HA CYS 33 0.148 10.410 -1.518
269 HB2 CYS 33 2HB CYS 33 2.051 9.835 -3.789
270 HB3 CYS 33 3HB CYS 33 2.394 10.993 -2.521
271 H SER 34 H SER 34 -1.838 10.995 -3.525
272 HA SER 34 HA SER 34 -2.948 12.676 -4.464
273 HB2 SER 34 2HB SER 34 -2.383 13.961 -2.433
274 HB3 SER 34 3HB SER 34 -0.859 14.459 -3.160
275 HG SER 34 HG SER 34 -3.397 15.444 -3.529
276 H ASP 35 H ASP 35 0.342 14.046 -4.813
277 HA ASP 35 HA ASP 35 -0.311 14.814 -7.545
278 HB2 ASP 35 2HB ASP 35 0.864 16.269 -5.721
279 HB3 ASP 35 3HB ASP 35 2.321 15.369 -6.128
280 H THR 36 H THR 36 0.889 11.990 -6.361
281 HA THR 36 HA THR 36 2.275 11.375 -8.916
282 HB THR 36 HB THR 36 3.437 9.486 -7.599
283 HG1 THR 36 HG1 THR 36 3.666 10.129 -5.283
284 HG21 THR 36 1HG2 THR 36 4.685 11.493 -8.316
285 HG22 THR 36 2HG2 THR 36 5.242 10.926 -6.743
286 HG23 THR 36 3HG2 THR 36 4.192 12.341 -6.847
287 H LYS 37 H LYS 37 0.768 9.545 -6.220
288 HA LYS 37 HA LYS 37 -0.631 7.767 -6.132
289 HB2 LYS 37 2HB LYS 37 -2.272 9.314 -7.196
290 HB3 LYS 37 3HB LYS 37 -1.729 8.786 -8.782
291 HG2 LYS 37 2HG LYS 37 -2.479 6.415 -8.089
292 HG3 LYS 37 3HG LYS 37 -3.267 7.185 -6.708
293 HD2 LYS 37 2HD LYS 37 -3.831 7.798 -9.639
294 HD3 LYS 37 3HD LYS 37 -4.848 6.798 -8.598
295 HE2 LYS 37 2HE LYS 37 -5.420 8.701 -7.222
296 HE3 LYS 37 3HE LYS 37 -4.226 9.717 -8.034
297 HZ1 LYS 37 1HZ LYS 37 -6.632 8.554 -9.324
298 HZ2 LYS 37 2HZ LYS 37 -5.504 9.569 -10.063
299 HZ3 LYS 37 3HZ LYS 37 -6.477 10.155 -8.810
300 H TYR 38 H TYR 38 0.780 6.097 -6.261
301 HA TYR 38 HA TYR 38 1.350 4.860 -8.898
302 HB2 TYR 38 2HB TYR 38 3.601 4.164 -7.875
303 HB3 TYR 38 3HB TYR 38 3.425 5.861 -8.265
304 HD1 TYR 38 HD1 TYR 38 3.739 3.440 -5.516
305 HD2 TYR 38 HD2 TYR 38 3.331 7.569 -6.482
306 HE1 TYR 38 HE1 TYR 38 4.344 4.002 -3.220
307 HE2 TYR 38 HE2 TYR 38 3.971 8.167 -4.179
308 HH TYR 38 HH TYR 38 5.416 6.027 -2.065
309 H THR 39 H THR 39 1.119 2.657 -9.005
310 HA THR 39 HA THR 39 -0.160 1.388 -6.660
311 HB THR 39 HB THR 39 -0.558 0.710 -9.606
312 HG1 THR 39 HG1 THR 39 -1.402 2.804 -9.041
313 HG21 THR 39 1HG2 THR 39 -2.552 -0.544 -8.802
314 HG22 THR 39 2HG2 THR 39 -2.114 -0.168 -7.137
315 HG23 THR 39 3HG2 THR 39 -1.059 -1.198 -8.101
316 H LEU 40 H LEU 40 1.412 0.238 -5.694
317 HA LEU 40 HA LEU 40 3.215 -1.541 -7.115
318 HB2 LEU 40 2HB LEU 40 2.632 -1.130 -4.151
319 HB3 LEU 40 3HB LEU 40 3.748 -2.349 -4.751
320 HG LEU 40 HG LEU 40 4.999 -0.350 -5.880
321 HD11 LEU 40 1HD1 LEU 40 3.430 1.197 -3.819
322 HD12 LEU 40 2HD1 LEU 40 3.274 1.337 -5.572
323 HD13 LEU 40 3HD1 LEU 40 4.778 1.807 -4.782
324 HD21 LEU 40 1HD2 LEU 40 6.336 0.065 -3.878
325 HD22 LEU 40 2HD2 LEU 40 5.915 -1.644 -3.998
326 HD23 LEU 40 3HD2 LEU 40 5.054 -0.603 -2.860
327 H CYS 41 H CYS 41 3.137 -3.955 -6.042
328 HA CYS 41 HA CYS 41 0.480 -4.962 -5.664
329 HB2 CYS 41 2HB CYS 41 0.629 -4.550 -8.188
330 HB3 CYS 41 3HB CYS 41 1.858 -5.813 -8.257
Start of MODEL 17
1 H1 SER 1 1H SER 1 -0.774 -16.437 0.446
2 H2 SER 1 2H SER 1 0.147 -15.725 1.660
3 H3 SER 1 3H SER 1 0.166 -15.078 0.106
4 HA SER 1 HA SER 1 -2.166 -14.514 0.270
5 HB2 SER 1 2HB SER 1 -1.885 -15.446 3.160
6 HB3 SER 1 3HB SER 1 -3.350 -14.815 2.399
7 HG SER 1 HG SER 1 -2.493 -17.326 2.469
8 H GLN 2 H GLN 2 0.557 -14.138 2.420
9 HA GLN 2 HA GLN 2 -0.280 -11.541 3.456
10 HB2 GLN 2 2HB GLN 2 0.593 -13.390 4.950
11 HB3 GLN 2 3HB GLN 2 2.157 -13.245 4.162
12 HG2 GLN 2 2HG GLN 2 2.149 -12.124 6.352
13 HG3 GLN 2 3HG GLN 2 2.420 -10.965 5.048
14 HE21 GLN 2 1HE2 GLN 2 1.714 -9.212 6.266
15 HE22 GLN 2 2HE2 GLN 2 0.061 -8.980 6.702
16 H GLU 3 H GLU 3 1.323 -12.443 0.666
17 HA GLU 3 HA GLU 3 3.713 -10.897 0.689
18 HB2 GLU 3 2HB GLU 3 3.289 -12.737 -0.914
19 HB3 GLU 3 3HB GLU 3 2.001 -11.801 -1.665
20 HG2 GLU 3 2HG GLU 3 3.710 -10.087 -2.332
21 HG3 GLU 3 3HG GLU 3 4.967 -11.142 -1.687
22 H THR 4 H THR 4 0.510 -10.231 -0.729
23 HA THR 4 HA THR 4 1.045 -7.581 -1.611
24 HB THR 4 HB THR 4 -1.745 -8.620 -0.939
25 HG1 THR 4 HG1 THR 4 0.058 -9.512 -2.878
26 HG21 THR 4 1HG2 THR 4 -0.726 -6.881 -3.217
27 HG22 THR 4 2HG2 THR 4 -1.521 -6.269 -1.763
28 HG23 THR 4 3HG2 THR 4 -2.409 -7.294 -2.893
29 H ARG 5 H ARG 5 -0.319 -8.981 1.317
30 HA ARG 5 HA ARG 5 -1.329 -6.617 2.511
31 HB2 ARG 5 2HB ARG 5 -0.619 -9.312 3.728
32 HB3 ARG 5 3HB ARG 5 -1.456 -8.029 4.593
33 HG2 ARG 5 2HG ARG 5 -3.302 -8.157 2.917
34 HG3 ARG 5 3HG ARG 5 -2.483 -9.535 2.171
35 HD2 ARG 5 2HD ARG 5 -2.722 -10.843 4.204
36 HD3 ARG 5 3HD ARG 5 -3.361 -9.450 5.083
37 HE ARG 5 HE ARG 5 -4.876 -10.329 2.756
38 HH11 ARG 5 1HH1 ARG 5 -4.564 -10.499 6.275
39 HH12 ARG 5 2HH1 ARG 5 -6.202 -11.013 6.507
40 HH21 ARG 5 1HH2 ARG 5 -7.027 -10.965 3.109
41 HH22 ARG 5 2HH2 ARG 5 -7.586 -11.276 4.716
42 H LYS 6 H LYS 6 1.792 -8.325 2.785
43 HA LYS 6 HA LYS 6 2.800 -6.725 4.962
44 HB2 LYS 6 2HB LYS 6 4.771 -8.034 4.876
45 HB3 LYS 6 3HB LYS 6 3.565 -9.155 4.276
46 HG2 LYS 6 2HG LYS 6 5.206 -9.554 2.713
47 HG3 LYS 6 3HG LYS 6 4.392 -8.216 1.901
48 HD2 LYS 6 2HD LYS 6 6.164 -6.720 3.213
49 HD3 LYS 6 3HD LYS 6 7.062 -8.232 3.350
50 HE2 LYS 6 2HE LYS 6 7.066 -8.444 0.893
51 HE3 LYS 6 3HE LYS 6 6.144 -6.941 0.757
52 HZ1 LYS 6 1HZ LYS 6 8.497 -6.574 0.374
53 HZ2 LYS 6 2HZ LYS 6 8.882 -7.203 1.896
54 HZ3 LYS 6 3HZ LYS 6 8.005 -5.764 1.776
55 H LYS 7 H LYS 7 2.890 -6.648 1.454
56 HA LYS 7 HA LYS 7 4.850 -4.645 1.056
57 HB2 LYS 7 2HB LYS 7 4.065 -6.120 -0.749
58 HB3 LYS 7 3HB LYS 7 2.443 -5.442 -0.641
59 HG2 LYS 7 2HG LYS 7 3.269 -3.270 -1.459
60 HG3 LYS 7 3HG LYS 7 4.923 -3.889 -1.488
61 HD2 LYS 7 2HD LYS 7 2.621 -4.971 -3.162
62 HD3 LYS 7 3HD LYS 7 3.868 -3.869 -3.750
63 HE2 LYS 7 2HE LYS 7 5.588 -5.547 -3.416
64 HE3 LYS 7 3HE LYS 7 4.438 -6.638 -2.637
65 HZ1 LYS 7 1HZ LYS 7 4.325 -5.756 -5.472
66 HZ2 LYS 7 2HZ LYS 7 3.250 -6.825 -4.727
67 HZ3 LYS 7 3HZ LYS 7 4.870 -7.264 -4.931
68 H CYS 8 H CYS 8 1.311 -4.558 1.469
69 HA CYS 8 HA CYS 8 0.950 -1.758 1.346
70 HB2 CYS 8 2HB CYS 8 -0.911 -3.383 1.121
71 HB3 CYS 8 3HB CYS 8 -0.759 -3.798 2.826
72 H THR 9 H THR 9 1.632 -3.976 4.064
73 HA THR 9 HA THR 9 1.444 -2.211 6.232
74 HB THR 9 HB THR 9 3.328 -4.600 5.891
75 HG1 THR 9 HG1 THR 9 0.821 -4.712 5.812
76 HG21 THR 9 1HG2 THR 9 3.377 -4.720 8.358
77 HG22 THR 9 2HG2 THR 9 2.377 -3.271 8.465
78 HG23 THR 9 3HG2 THR 9 4.013 -3.163 7.812
79 H GLU 10 H GLU 10 4.206 -3.069 4.198
80 HA GLU 10 HA GLU 10 6.215 -1.525 5.387
81 HB2 GLU 10 2HB GLU 10 6.555 -3.452 3.806
82 HB3 GLU 10 3HB GLU 10 6.044 -2.417 2.477
83 HG2 GLU 10 2HG GLU 10 7.944 -0.898 2.951
84 HG3 GLU 10 3HG GLU 10 8.462 -1.968 4.258
85 H MET 11 H MET 11 4.038 -0.865 2.653
86 HA MET 11 HA MET 11 5.194 1.661 1.983
87 HB2 MET 11 2HB MET 11 2.489 0.503 1.213
88 HB3 MET 11 3HB MET 11 3.176 1.967 0.539
89 HG2 MET 11 2HG MET 11 4.412 -0.776 0.223
90 HG3 MET 11 3HG MET 11 3.316 -0.043 -0.936
91 HE1 MET 11 1HE MET 11 6.824 0.549 0.901
92 HE2 MET 11 2HE MET 11 7.788 0.728 -0.567
93 HE3 MET 11 3HE MET 11 6.909 -0.773 -0.270
94 H LYS 12 H LYS 12 2.567 0.689 4.226
95 HA LYS 12 HA LYS 12 1.472 3.322 4.636
96 HB2 LYS 12 2HB LYS 12 1.398 0.848 6.416
97 HB3 LYS 12 3HB LYS 12 0.583 2.349 6.837
98 HG2 LYS 12 2HG LYS 12 -0.849 2.135 4.832
99 HG3 LYS 12 3HG LYS 12 -0.037 0.627 4.413
100 HD2 LYS 12 2HD LYS 12 -1.754 1.153 6.875
101 HD3 LYS 12 3HD LYS 12 -2.149 0.100 5.515
102 HE2 LYS 12 2HE LYS 12 -0.251 -1.380 6.128
103 HE3 LYS 12 3HE LYS 12 0.120 -0.329 7.493
104 HZ1 LYS 12 1HZ LYS 12 -2.261 -2.042 7.114
105 HZ2 LYS 12 2HZ LYS 12 -2.206 -0.816 8.273
106 HZ3 LYS 12 3HZ LYS 12 -1.118 -2.103 8.356
107 H LYS 13 H LYS 13 3.752 1.338 6.512
108 HA LYS 13 HA LYS 13 4.284 3.282 8.517
109 HB2 LYS 13 2HB LYS 13 6.013 1.711 9.315
110 HB3 LYS 13 3HB LYS 13 4.509 0.875 8.949
111 HG2 LYS 13 2HG LYS 13 5.550 0.295 6.682
112 HG3 LYS 13 3HG LYS 13 7.080 0.857 7.349
113 HD2 LYS 13 2HD LYS 13 5.388 -1.414 8.475
114 HD3 LYS 13 3HD LYS 13 6.822 -1.607 7.469
115 HE2 LYS 13 2HE LYS 13 6.746 -0.386 10.244
116 HE3 LYS 13 3HE LYS 13 7.376 -1.973 9.808
117 HZ1 LYS 13 1HZ LYS 13 8.462 0.641 8.918
118 HZ2 LYS 13 2HZ LYS 13 9.038 -0.866 8.423
119 HZ3 LYS 13 3HZ LYS 13 9.165 -0.406 10.043
120 H LYS 14 H LYS 14 5.615 2.756 5.374
121 HA LYS 14 HA LYS 14 7.922 4.515 5.722
122 HB2 LYS 14 2HB LYS 14 7.544 2.407 4.072
123 HB3 LYS 14 3HB LYS 14 6.868 3.624 3.011
124 HG2 LYS 14 2HG LYS 14 9.695 3.604 4.119
125 HG3 LYS 14 3HG LYS 14 9.220 3.094 2.499
126 HD2 LYS 14 2HD LYS 14 8.404 5.427 2.070
127 HD3 LYS 14 3HD LYS 14 9.035 5.899 3.650
128 HE2 LYS 14 2HE LYS 14 10.679 4.813 1.334
129 HE3 LYS 14 3HE LYS 14 10.594 6.499 1.841
130 HZ1 LYS 14 1HZ LYS 14 11.624 4.272 3.513
131 HZ2 LYS 14 2HZ LYS 14 11.601 5.908 3.936
132 HZ3 LYS 14 3HZ LYS 14 12.575 5.380 2.664
133 H PHE 15 H PHE 15 5.177 4.535 3.438
134 HA PHE 15 HA PHE 15 5.161 7.438 3.208
135 HB2 PHE 15 2HB PHE 15 3.335 5.416 1.845
136 HB3 PHE 15 3HB PHE 15 3.587 7.083 1.364
137 HD1 PHE 15 HD1 PHE 15 4.341 3.839 0.453
138 HD2 PHE 15 HD2 PHE 15 6.318 7.595 1.037
139 HE1 PHE 15 HE1 PHE 15 6.150 3.128 -1.041
140 HE2 PHE 15 HE2 PHE 15 8.127 6.859 -0.469
141 HZ PHE 15 HZ PHE 15 8.036 4.622 -1.512
142 H LYS 16 H LYS 16 4.573 7.507 5.552
143 HA LYS 16 HA LYS 16 1.954 6.959 6.498
144 HB2 LYS 16 2HB LYS 16 2.617 8.435 8.402
145 HB3 LYS 16 3HB LYS 16 3.845 7.231 8.017
146 HG2 LYS 16 2HG LYS 16 5.160 8.935 6.797
147 HG3 LYS 16 3HG LYS 16 3.936 10.153 7.167
148 HD2 LYS 16 2HD LYS 16 4.415 9.885 9.591
149 HD3 LYS 16 3HD LYS 16 5.631 8.662 9.216
150 HE2 LYS 16 2HE LYS 16 6.966 10.341 8.010
151 HE3 LYS 16 3HE LYS 16 5.736 11.568 8.330
152 HZ1 LYS 16 1HZ LYS 16 7.404 10.166 10.351
153 HZ2 LYS 16 2HZ LYS 16 6.145 11.230 10.722
154 HZ3 LYS 16 3HZ LYS 16 7.511 11.793 9.901
155 H ASN 17 H ASN 17 3.236 9.475 4.536
156 HA ASN 17 HA ASN 17 1.075 11.413 5.039
157 HB2 ASN 17 2HB ASN 17 3.632 11.608 3.383
158 HB3 ASN 17 3HB ASN 17 2.483 12.925 3.614
159 HD21 ASN 17 1HD2 ASN 17 5.348 12.670 4.355
160 HD22 ASN 17 2HD2 ASN 17 5.411 13.014 6.048
161 H CYS 18 H CYS 18 1.068 8.742 3.337
162 HA CYS 18 HA CYS 18 -0.532 9.842 1.107
163 HB2 CYS 18 2HB CYS 18 1.552 7.625 0.847
164 HB3 CYS 18 3HB CYS 18 0.447 8.141 -0.426
165 H GLU 19 H GLU 19 -2.213 8.432 0.361
166 HA GLU 19 HA GLU 19 -3.350 6.744 2.413
167 HB2 GLU 19 2HB GLU 19 -4.813 8.265 1.057
168 HB3 GLU 19 3HB GLU 19 -4.420 7.336 -0.385
169 HG2 GLU 19 2HG GLU 19 -5.391 5.284 0.838
170 HG3 GLU 19 3HG GLU 19 -6.022 6.416 2.031
171 H VAL 20 H VAL 20 -1.751 5.090 2.430
172 HA VAL 20 HA VAL 20 -1.417 3.318 0.146
173 HB VAL 20 HB VAL 20 -0.573 2.949 3.059
174 HG11 VAL 20 1HG1 VAL 20 0.951 1.221 2.167
175 HG12 VAL 20 2HG1 VAL 20 0.299 1.475 0.546
176 HG13 VAL 20 3HG1 VAL 20 -0.732 0.822 1.822
177 HG21 VAL 20 1HG2 VAL 20 1.634 3.710 2.377
178 HG22 VAL 20 2HG2 VAL 20 0.441 4.959 2.032
179 HG23 VAL 20 3HG2 VAL 20 1.074 3.957 0.726
180 H ARG 21 H ARG 21 -3.141 2.071 -0.353
181 HA ARG 21 HA ARG 21 -4.985 1.127 1.750
182 HB2 ARG 21 2HB ARG 21 -6.718 1.063 -0.062
183 HB3 ARG 21 3HB ARG 21 -6.091 2.674 0.258
184 HG2 ARG 21 2HG ARG 21 -4.572 2.365 -1.765
185 HG3 ARG 21 3HG ARG 21 -5.494 0.904 -2.128
186 HD2 ARG 21 2HD ARG 21 -6.582 3.740 -1.979
187 HD3 ARG 21 3HD ARG 21 -6.326 2.787 -3.444
188 HE ARG 21 HE ARG 21 -8.049 1.219 -2.532
189 HH11 ARG 21 1HH1 ARG 21 -8.073 4.596 -1.506
190 HH12 ARG 21 2HH1 ARG 21 -9.773 4.588 -1.152
191 HH21 ARG 21 1HH2 ARG 21 -10.279 1.256 -2.093
192 HH22 ARG 21 2HH2 ARG 21 -11.015 2.700 -1.483
193 H CYS 22 H CYS 22 -5.068 -0.956 2.102
194 HA CYS 22 HA CYS 22 -3.419 -2.813 0.651
195 HB2 CYS 22 2HB CYS 22 -5.304 -3.332 2.981
196 HB3 CYS 22 3HB CYS 22 -4.001 -4.384 2.430
197 H ASP 23 H ASP 23 -4.124 -4.748 -0.294
198 HA ASP 23 HA ASP 23 -6.920 -5.161 -0.977
199 HB2 ASP 23 2HB ASP 23 -6.301 -3.569 -2.717
200 HB3 ASP 23 3HB ASP 23 -4.802 -4.424 -3.052
201 H GLU 24 H GLU 24 -7.291 -7.192 -1.862
202 HA GLU 24 HA GLU 24 -5.121 -9.147 -2.181
203 HB2 GLU 24 2HB GLU 24 -6.229 -10.762 -0.688
204 HB3 GLU 24 3HB GLU 24 -5.866 -9.286 0.202
205 HG2 GLU 24 2HG GLU 24 -8.262 -8.553 -0.219
206 HG3 GLU 24 3HG GLU 24 -8.563 -10.163 -0.870
207 H SER 25 H SER 25 -7.828 -7.663 -3.336
208 HA SER 25 HA SER 25 -9.366 -9.914 -4.300
209 HB2 SER 25 2HB SER 25 -10.474 -7.829 -3.579
210 HB3 SER 25 3HB SER 25 -9.626 -6.921 -4.832
211 HG SER 25 HG SER 25 -11.233 -7.435 -6.069
212 H ASN 26 H ASN 26 -7.280 -7.369 -5.742
213 HA ASN 26 HA ASN 26 -6.915 -9.088 -8.158
214 HB2 ASN 26 2HB ASN 26 -6.318 -6.984 -9.388
215 HB3 ASN 26 3HB ASN 26 -7.971 -6.965 -8.782
216 HD21 ASN 26 1HD2 ASN 26 -8.478 -5.601 -6.987
217 HD22 ASN 26 2HD2 ASN 26 -7.460 -4.271 -6.561
218 H HIS 27 H HIS 27 -5.506 -8.259 -5.328
219 HA HIS 27 HA HIS 27 -3.496 -8.278 -4.375
220 HB2 HIS 27 2HB HIS 27 -2.898 -10.065 -6.749
221 HB3 HIS 27 3HB HIS 27 -1.666 -9.716 -5.542
222 HD1 HIS 27 HD1 HIS 27 -1.690 -11.085 -3.461
223 HD2 HIS 27 HD2 HIS 27 -5.200 -11.478 -5.635
224 HE1 HIS 27 HE1 HIS 27 -3.026 -12.830 -2.262
225 HE2 HIS 27 HE2 HIS 27 -5.215 -12.906 -3.488
226 H CYS 28 H CYS 28 -3.661 -5.927 -4.893
227 HA CYS 28 HA CYS 28 -1.059 -5.044 -5.777
228 HB2 CYS 28 2HB CYS 28 -2.445 -5.177 -7.905
229 HB3 CYS 28 3HB CYS 28 -3.463 -3.902 -7.250
230 H VAL 29 H VAL 29 -0.433 -3.437 -4.513
231 HA VAL 29 HA VAL 29 -2.284 -2.071 -2.705
232 HB VAL 29 HB VAL 29 0.777 -2.018 -2.839
233 HG11 VAL 29 1HG1 VAL 29 -1.039 -0.966 -0.633
234 HG12 VAL 29 2HG1 VAL 29 -0.074 0.014 -1.741
235 HG13 VAL 29 3HG1 VAL 29 0.727 -1.037 -0.571
236 HG21 VAL 29 1HG2 VAL 29 0.737 -3.538 -0.902
237 HG22 VAL 29 2HG2 VAL 29 -0.051 -4.263 -2.308
238 HG23 VAL 29 3HG2 VAL 29 -1.025 -3.608 -0.988
239 H GLU 30 H GLU 30 -3.165 -0.191 -3.462
240 HA GLU 30 HA GLU 30 -1.639 1.620 -5.214
241 HB2 GLU 30 2HB GLU 30 -3.989 1.270 -5.785
242 HB3 GLU 30 3HB GLU 30 -4.495 1.710 -4.160
243 HG2 GLU 30 2HG GLU 30 -3.794 4.032 -4.525
244 HG3 GLU 30 3HG GLU 30 -3.176 3.619 -6.123
245 H VAL 31 H VAL 31 -0.787 3.516 -4.504
246 HA VAL 31 HA VAL 31 -1.140 4.362 -1.686
247 HB VAL 31 HB VAL 31 1.422 4.589 -3.342
248 HG11 VAL 31 1HG1 VAL 31 0.841 5.312 -0.454
249 HG12 VAL 31 2HG1 VAL 31 1.194 6.426 -1.774
250 HG13 VAL 31 3HG1 VAL 31 2.445 5.328 -1.191
251 HG21 VAL 31 1HG2 VAL 31 1.048 2.239 -2.727
252 HG22 VAL 31 2HG2 VAL 31 0.856 2.695 -1.031
253 HG23 VAL 31 3HG2 VAL 31 2.416 2.911 -1.833
254 H ARG 32 H ARG 32 -2.227 6.228 -1.752
255 HA ARG 32 HA ARG 32 -2.169 7.893 -4.190
256 HB2 ARG 32 2HB ARG 32 -4.303 6.671 -3.618
257 HB3 ARG 32 3HB ARG 32 -4.385 7.590 -2.118
258 HG2 ARG 32 2HG ARG 32 -4.611 9.678 -3.379
259 HG3 ARG 32 3HG ARG 32 -4.429 8.799 -4.894
260 HD2 ARG 32 2HD ARG 32 -6.519 7.467 -4.191
261 HD3 ARG 32 3HD ARG 32 -6.742 8.699 -2.943
262 HE ARG 32 HE ARG 32 -6.416 9.647 -5.673
263 HH11 ARG 32 1HH1 ARG 32 -8.725 8.867 -3.138
264 HH12 ARG 32 2HH1 ARG 32 -10.002 9.798 -3.855
265 HH21 ARG 32 1HH2 ARG 32 -8.101 10.846 -6.607
266 HH22 ARG 32 2HH2 ARG 32 -9.644 10.913 -5.820
267 H CYS 33 H CYS 33 -0.437 9.216 -3.524
268 HA CYS 33 HA CYS 33 -0.378 10.647 -1.059
269 HB2 CYS 33 2HB CYS 33 1.119 11.153 -3.663
270 HB3 CYS 33 3HB CYS 33 1.482 11.931 -2.121
271 H SER 34 H SER 34 -0.545 12.232 -4.270
272 HA SER 34 HA SER 34 -3.039 13.578 -3.722
273 HB2 SER 34 2HB SER 34 -0.470 15.246 -3.852
274 HB3 SER 34 3HB SER 34 -2.104 15.910 -3.875
275 HG SER 34 HG SER 34 -2.238 14.599 -1.767
276 H ASP 35 H ASP 35 -0.167 14.445 -5.638
277 HA ASP 35 HA ASP 35 -1.716 14.288 -8.151
278 HB2 ASP 35 2HB ASP 35 0.863 15.769 -7.470
279 HB3 ASP 35 3HB ASP 35 0.188 15.694 -9.093
280 H THR 36 H THR 36 0.582 12.583 -6.362
281 HA THR 36 HA THR 36 2.157 11.578 -8.578
282 HB THR 36 HB THR 36 2.231 10.677 -5.659
283 HG1 THR 36 HG1 THR 36 3.754 12.728 -6.946
284 HG21 THR 36 1HG2 THR 36 3.409 9.143 -7.192
285 HG22 THR 36 2HG2 THR 36 4.560 10.019 -6.178
286 HG23 THR 36 3HG2 THR 36 4.323 10.499 -7.859
287 H LYS 37 H LYS 37 0.575 9.753 -5.935
288 HA LYS 37 HA LYS 37 -0.504 7.802 -5.791
289 HB2 LYS 37 2HB LYS 37 -2.253 9.361 -6.790
290 HB3 LYS 37 3HB LYS 37 -1.927 8.638 -8.350
291 HG2 LYS 37 2HG LYS 37 -2.895 7.002 -5.974
292 HG3 LYS 37 3HG LYS 37 -4.007 7.820 -7.066
293 HD2 LYS 37 2HD LYS 37 -2.036 5.635 -7.824
294 HD3 LYS 37 3HD LYS 37 -3.778 5.446 -7.634
295 HE2 LYS 37 2HE LYS 37 -2.413 7.160 -9.747
296 HE3 LYS 37 3HE LYS 37 -3.139 5.574 -10.002
297 HZ1 LYS 37 1HZ LYS 37 -4.597 7.385 -10.674
298 HZ2 LYS 37 2HZ LYS 37 -4.622 7.972 -9.090
299 HZ3 LYS 37 3HZ LYS 37 -5.273 6.457 -9.440
300 H TYR 38 H TYR 38 1.035 6.251 -6.010
301 HA TYR 38 HA TYR 38 1.499 5.021 -8.675
302 HB2 TYR 38 2HB TYR 38 3.669 4.131 -7.553
303 HB3 TYR 38 3HB TYR 38 3.629 5.827 -7.996
304 HD1 TYR 38 HD1 TYR 38 3.712 3.478 -5.142
305 HD2 TYR 38 HD2 TYR 38 3.503 7.585 -6.293
306 HE1 TYR 38 HE1 TYR 38 4.228 4.144 -2.847
307 HE2 TYR 38 HE2 TYR 38 4.057 8.259 -4.006
308 HH TYR 38 HH TYR 38 3.834 7.327 -1.759
309 H THR 39 H THR 39 1.655 2.697 -8.672
310 HA THR 39 HA THR 39 0.059 1.397 -6.544
311 HB THR 39 HB THR 39 -0.413 1.092 -9.556
312 HG1 THR 39 HG1 THR 39 -1.461 2.838 -7.630
313 HG21 THR 39 1HG2 THR 39 -2.011 0.114 -7.162
314 HG22 THR 39 2HG2 THR 39 -1.113 -0.895 -8.298
315 HG23 THR 39 3HG2 THR 39 -2.535 -0.001 -8.839
316 H LEU 40 H LEU 40 1.360 -0.108 -5.723
317 HA LEU 40 HA LEU 40 3.388 -1.551 -7.289
318 HB2 LEU 40 2HB LEU 40 3.042 -0.931 -4.331
319 HB3 LEU 40 3HB LEU 40 3.981 -2.340 -4.802
320 HG LEU 40 HG LEU 40 5.443 -0.717 -6.188
321 HD11 LEU 40 1HD1 LEU 40 4.033 1.352 -4.494
322 HD12 LEU 40 2HD1 LEU 40 3.956 1.201 -6.252
323 HD13 LEU 40 3HD1 LEU 40 5.479 1.629 -5.471
324 HD21 LEU 40 1HD2 LEU 40 6.229 -1.752 -4.110
325 HD22 LEU 40 2HD2 LEU 40 5.468 -0.472 -3.161
326 HD23 LEU 40 3HD2 LEU 40 6.812 -0.091 -4.240
327 H CYS 41 H CYS 41 2.381 -3.252 -8.253
328 HA CYS 41 HA CYS 41 0.267 -4.728 -6.940
329 HB2 CYS 41 2HB CYS 41 1.526 -5.023 -9.682
330 HB3 CYS 41 3HB CYS 41 0.253 -6.079 -9.082
Start of MODEL 18
1 H1 SER 1 1H SER 1 4.597 -15.158 -0.338
2 H2 SER 1 2H SER 1 4.789 -16.762 0.152
3 H3 SER 1 3H SER 1 5.397 -15.511 1.106
4 HA SER 1 HA SER 1 2.546 -16.012 0.530
5 HB2 SER 1 2HB SER 1 2.468 -16.596 3.003
6 HB3 SER 1 3HB SER 1 3.418 -17.719 2.036
7 HG SER 1 HG SER 1 5.234 -17.012 2.947
8 H GLN 2 H GLN 2 1.201 -14.297 0.963
9 HA GLN 2 HA GLN 2 0.298 -12.421 1.839
10 HB2 GLN 2 2HB GLN 2 1.140 -13.494 4.011
11 HB3 GLN 2 3HB GLN 2 2.559 -12.463 3.901
12 HG2 GLN 2 2HG GLN 2 1.137 -10.475 4.118
13 HG3 GLN 2 3HG GLN 2 -0.300 -11.494 4.171
14 HE21 GLN 2 1HE2 GLN 2 0.863 -13.535 5.909
15 HE22 GLN 2 2HE2 GLN 2 1.002 -12.820 7.475
16 H GLU 3 H GLU 3 2.033 -12.170 -0.376
17 HA GLU 3 HA GLU 3 4.221 -10.412 -0.138
18 HB2 GLU 3 2HB GLU 3 2.475 -10.810 -2.600
19 HB3 GLU 3 3HB GLU 3 4.067 -10.069 -2.594
20 HG2 GLU 3 2HG GLU 3 4.392 -12.236 -3.438
21 HG3 GLU 3 3HG GLU 3 4.966 -12.296 -1.777
22 H THR 4 H THR 4 0.981 -9.740 -1.454
23 HA THR 4 HA THR 4 1.415 -6.930 -1.714
24 HB THR 4 HB THR 4 -0.034 -8.141 -3.268
25 HG1 THR 4 HG1 THR 4 -1.863 -6.466 -1.985
26 HG21 THR 4 1HG2 THR 4 -1.964 -8.536 -0.946
27 HG22 THR 4 2HG2 THR 4 -1.040 -9.814 -1.738
28 HG23 THR 4 3HG2 THR 4 -2.282 -8.941 -2.633
29 H ARG 5 H ARG 5 0.043 -8.934 0.810
30 HA ARG 5 HA ARG 5 -1.535 -6.905 2.094
31 HB2 ARG 5 2HB ARG 5 -0.542 -9.596 3.101
32 HB3 ARG 5 3HB ARG 5 -1.631 -8.557 4.009
33 HG2 ARG 5 2HG ARG 5 -3.312 -8.765 2.178
34 HG3 ARG 5 3HG ARG 5 -2.216 -9.860 1.331
35 HD2 ARG 5 2HD ARG 5 -2.395 -11.518 3.080
36 HD3 ARG 5 3HD ARG 5 -3.268 -10.399 4.131
37 HE ARG 5 HE ARG 5 -4.885 -10.530 1.993
38 HH11 ARG 5 1HH1 ARG 5 -3.472 -13.097 3.949
39 HH12 ARG 5 2HH1 ARG 5 -4.783 -14.195 3.653
40 HH21 ARG 5 1HH2 ARG 5 -6.567 -11.998 1.629
41 HH22 ARG 5 2HH2 ARG 5 -6.526 -13.573 2.352
42 H LYS 6 H LYS 6 1.631 -8.424 2.865
43 HA LYS 6 HA LYS 6 2.233 -6.648 5.030
44 HB2 LYS 6 2HB LYS 6 4.355 -7.739 5.180
45 HB3 LYS 6 3HB LYS 6 3.234 -8.990 4.676
46 HG2 LYS 6 2HG LYS 6 5.032 -9.458 3.277
47 HG3 LYS 6 3HG LYS 6 4.092 -8.388 2.238
48 HD2 LYS 6 2HD LYS 6 5.591 -6.475 3.159
49 HD3 LYS 6 3HD LYS 6 6.624 -7.749 3.793
50 HE2 LYS 6 2HE LYS 6 5.891 -7.380 0.878
51 HE3 LYS 6 3HE LYS 6 7.404 -6.862 1.618
52 HZ1 LYS 6 1HZ LYS 6 7.895 -9.162 2.149
53 HZ2 LYS 6 2HZ LYS 6 7.655 -8.967 0.488
54 HZ3 LYS 6 3HZ LYS 6 6.443 -9.657 1.439
55 H LYS 7 H LYS 7 2.634 -6.531 1.560
56 HA LYS 7 HA LYS 7 4.643 -4.563 1.333
57 HB2 LYS 7 2HB LYS 7 3.874 -5.981 -0.554
58 HB3 LYS 7 3HB LYS 7 2.324 -5.152 -0.547
59 HG2 LYS 7 2HG LYS 7 3.495 -3.031 -1.136
60 HG3 LYS 7 3HG LYS 7 5.015 -3.925 -1.235
61 HD2 LYS 7 2HD LYS 7 2.549 -4.392 -2.962
62 HD3 LYS 7 3HD LYS 7 4.018 -3.561 -3.464
63 HE2 LYS 7 2HE LYS 7 5.299 -5.667 -3.149
64 HE3 LYS 7 3HE LYS 7 3.806 -6.492 -2.696
65 HZ1 LYS 7 1HZ LYS 7 4.425 -6.840 -5.014
66 HZ2 LYS 7 2HZ LYS 7 4.295 -5.190 -5.307
67 HZ3 LYS 7 3HZ LYS 7 2.926 -6.078 -4.873
68 H CYS 8 H CYS 8 1.094 -4.347 1.515
69 HA CYS 8 HA CYS 8 0.880 -1.532 1.429
70 HB2 CYS 8 2HB CYS 8 -1.066 -3.042 1.088
71 HB3 CYS 8 3HB CYS 8 -1.005 -3.501 2.794
72 H THR 9 H THR 9 1.296 -3.815 4.124
73 HA THR 9 HA THR 9 1.147 -2.024 6.299
74 HB THR 9 HB THR 9 2.840 -4.570 6.108
75 HG1 THR 9 HG1 THR 9 0.432 -4.641 5.632
76 HG21 THR 9 1HG2 THR 9 1.621 -3.209 8.546
77 HG22 THR 9 2HG2 THR 9 3.335 -3.213 8.129
78 HG23 THR 9 3HG2 THR 9 2.533 -4.725 8.549
79 H GLU 10 H GLU 10 3.794 -2.941 4.170
80 HA GLU 10 HA GLU 10 5.917 -1.614 5.562
81 HB2 GLU 10 2HB GLU 10 6.366 -3.541 4.117
82 HB3 GLU 10 3HB GLU 10 5.677 -2.706 2.732
83 HG2 GLU 10 2HG GLU 10 7.533 -1.044 2.839
84 HG3 GLU 10 3HG GLU 10 8.234 -1.943 4.181
85 H MET 11 H MET 11 3.799 -0.852 2.833
86 HA MET 11 HA MET 11 4.952 1.662 2.144
87 HB2 MET 11 2HB MET 11 2.177 0.537 1.584
88 HB3 MET 11 3HB MET 11 2.760 2.062 0.933
89 HG2 MET 11 2HG MET 11 3.959 -0.653 0.333
90 HG3 MET 11 3HG MET 11 2.824 0.206 -0.702
91 HE1 MET 11 1HE MET 11 7.336 0.852 -0.480
92 HE2 MET 11 2HE MET 11 6.439 -0.651 -0.288
93 HE3 MET 11 3HE MET 11 6.446 0.544 1.012
94 H LYS 12 H LYS 12 2.593 0.632 4.583
95 HA LYS 12 HA LYS 12 1.694 3.229 5.381
96 HB2 LYS 12 2HB LYS 12 1.954 0.653 6.995
97 HB3 LYS 12 3HB LYS 12 1.162 2.104 7.596
98 HG2 LYS 12 2HG LYS 12 0.261 0.638 5.109
99 HG3 LYS 12 3HG LYS 12 -0.369 0.284 6.724
100 HD2 LYS 12 2HD LYS 12 -1.174 2.634 6.893
101 HD3 LYS 12 3HD LYS 12 -0.550 2.953 5.271
102 HE2 LYS 12 2HE LYS 12 -2.102 1.184 4.392
103 HE3 LYS 12 3HE LYS 12 -2.790 1.043 6.013
104 HZ1 LYS 12 1HZ LYS 12 -3.482 3.315 5.907
105 HZ2 LYS 12 2HZ LYS 12 -4.064 2.503 4.545
106 HZ3 LYS 12 3HZ LYS 12 -2.732 3.533 4.409
107 H LYS 13 H LYS 13 4.331 1.119 6.428
108 HA LYS 13 HA LYS 13 5.387 2.718 8.519
109 HB2 LYS 13 2HB LYS 13 6.690 0.546 6.829
110 HB3 LYS 13 3HB LYS 13 7.411 1.227 8.287
111 HG2 LYS 13 2HG LYS 13 5.625 0.336 9.660
112 HG3 LYS 13 3HG LYS 13 4.738 -0.204 8.230
113 HD2 LYS 13 2HD LYS 13 6.591 -1.778 7.689
114 HD3 LYS 13 3HD LYS 13 7.445 -1.259 9.147
115 HE2 LYS 13 2HE LYS 13 5.628 -2.132 10.547
116 HE3 LYS 13 3HE LYS 13 4.707 -2.581 9.109
117 HZ1 LYS 13 1HZ LYS 13 7.346 -3.696 9.880
118 HZ2 LYS 13 2HZ LYS 13 6.429 -4.147 8.528
119 HZ3 LYS 13 3HZ LYS 13 5.850 -4.464 10.084
120 H LYS 14 H LYS 14 5.964 2.692 5.048
121 HA LYS 14 HA LYS 14 8.243 4.530 5.252
122 HB2 LYS 14 2HB LYS 14 8.356 2.606 3.666
123 HB3 LYS 14 3HB LYS 14 6.984 3.259 2.782
124 HG2 LYS 14 2HG LYS 14 8.256 5.211 2.113
125 HG3 LYS 14 3HG LYS 14 9.609 4.744 3.147
126 HD2 LYS 14 2HD LYS 14 10.005 2.752 1.747
127 HD3 LYS 14 3HD LYS 14 8.633 3.182 0.718
128 HE2 LYS 14 2HE LYS 14 10.758 3.848 -0.327
129 HE3 LYS 14 3HE LYS 14 9.786 5.269 0.056
130 HZ1 LYS 14 1HZ LYS 14 12.098 4.243 1.608
131 HZ2 LYS 14 2HZ LYS 14 11.144 5.566 2.059
132 HZ3 LYS 14 3HZ LYS 14 12.071 5.634 0.647
133 H PHE 15 H PHE 15 4.863 4.491 4.266
134 HA PHE 15 HA PHE 15 5.005 7.333 3.433
135 HB2 PHE 15 2HB PHE 15 3.284 5.137 2.195
136 HB3 PHE 15 3HB PHE 15 3.296 6.827 1.704
137 HD1 PHE 15 HD1 PHE 15 4.385 3.709 0.685
138 HD2 PHE 15 HD2 PHE 15 5.930 7.666 1.207
139 HE1 PHE 15 HE1 PHE 15 6.124 3.263 -0.991
140 HE2 PHE 15 HE2 PHE 15 7.662 7.202 -0.473
141 HZ PHE 15 HZ PHE 15 7.755 5.002 -1.579
142 H LYS 16 H LYS 16 4.487 7.483 5.838
143 HA LYS 16 HA LYS 16 1.699 7.172 6.571
144 HB2 LYS 16 2HB LYS 16 2.310 8.437 8.628
145 HB3 LYS 16 3HB LYS 16 3.339 7.044 8.345
146 HG2 LYS 16 2HG LYS 16 5.121 8.529 7.482
147 HG3 LYS 16 3HG LYS 16 4.092 9.932 7.788
148 HD2 LYS 16 2HD LYS 16 4.111 9.474 10.201
149 HD3 LYS 16 3HD LYS 16 5.008 7.978 9.939
150 HE2 LYS 16 2HE LYS 16 6.089 10.729 9.249
151 HE3 LYS 16 3HE LYS 16 6.402 9.910 10.775
152 HZ1 LYS 16 1HZ LYS 16 7.519 8.154 9.595
153 HZ2 LYS 16 2HZ LYS 16 8.200 9.642 9.164
154 HZ3 LYS 16 3HZ LYS 16 7.150 8.854 8.101
155 H ASN 17 H ASN 17 3.425 9.452 4.711
156 HA ASN 17 HA ASN 17 1.604 11.700 5.116
157 HB2 ASN 17 2HB ASN 17 3.790 11.299 3.026
158 HB3 ASN 17 3HB ASN 17 2.952 12.811 3.363
159 HD21 ASN 17 1HD2 ASN 17 5.309 10.510 4.558
160 HD22 ASN 17 2HD2 ASN 17 6.005 11.550 5.746
161 H CYS 18 H CYS 18 1.674 8.838 3.278
162 HA CYS 18 HA CYS 18 -0.024 9.894 1.092
163 HB2 CYS 18 2HB CYS 18 1.684 7.376 1.183
164 HB3 CYS 18 3HB CYS 18 0.818 8.000 -0.219
165 H GLU 19 H GLU 19 -1.907 8.628 0.414
166 HA GLU 19 HA GLU 19 -3.169 7.075 2.565
167 HB2 GLU 19 2HB GLU 19 -4.514 8.783 1.261
168 HB3 GLU 19 3HB GLU 19 -4.313 7.799 -0.171
169 HG2 GLU 19 2HG GLU 19 -5.533 5.941 0.928
170 HG3 GLU 19 3HG GLU 19 -5.767 6.949 2.353
171 H VAL 20 H VAL 20 -2.057 5.158 2.600
172 HA VAL 20 HA VAL 20 -1.505 3.611 0.190
173 HB VAL 20 HB VAL 20 -1.075 2.973 3.148
174 HG11 VAL 20 1HG1 VAL 20 0.037 1.533 0.708
175 HG12 VAL 20 2HG1 VAL 20 -1.198 0.904 1.800
176 HG13 VAL 20 3HG1 VAL 20 0.439 1.179 2.390
177 HG21 VAL 20 1HG2 VAL 20 0.227 4.938 2.388
178 HG22 VAL 20 2HG2 VAL 20 0.934 3.968 1.093
179 HG23 VAL 20 3HG2 VAL 20 1.272 3.570 2.777
180 H ARG 21 H ARG 21 -2.942 2.149 -0.628
181 HA ARG 21 HA ARG 21 -5.246 1.243 1.012
182 HB2 ARG 21 2HB ARG 21 -5.054 1.591 -2.011
183 HB3 ARG 21 3HB ARG 21 -6.459 0.958 -1.154
184 HG2 ARG 21 2HG ARG 21 -6.720 3.131 0.013
185 HG3 ARG 21 3HG ARG 21 -5.324 3.763 -0.862
186 HD2 ARG 21 2HD ARG 21 -6.498 3.530 -2.987
187 HD3 ARG 21 3HD ARG 21 -7.865 2.756 -2.179
188 HE ARG 21 HE ARG 21 -7.284 5.383 -1.148
189 HH11 ARG 21 1HH1 ARG 21 -8.976 3.689 -3.713
190 HH12 ARG 21 2HH1 ARG 21 -10.115 4.972 -3.972
191 HH21 ARG 21 1HH2 ARG 21 -8.810 7.045 -1.489
192 HH22 ARG 21 2HH2 ARG 21 -10.024 6.866 -2.723
193 H CYS 22 H CYS 22 -5.003 -0.765 1.662
194 HA CYS 22 HA CYS 22 -3.263 -2.708 0.430
195 HB2 CYS 22 2HB CYS 22 -5.315 -3.189 2.634
196 HB3 CYS 22 3HB CYS 22 -3.842 -4.093 2.321
197 H ASP 23 H ASP 23 -3.903 -4.653 -0.567
198 HA ASP 23 HA ASP 23 -6.678 -5.327 -1.029
199 HB2 ASP 23 2HB ASP 23 -6.484 -3.697 -2.823
200 HB3 ASP 23 3HB ASP 23 -4.921 -4.326 -3.314
201 H GLU 24 H GLU 24 -6.953 -7.420 -1.710
202 HA GLU 24 HA GLU 24 -4.734 -9.040 -2.692
203 HB2 GLU 24 2HB GLU 24 -5.293 -10.927 -1.112
204 HB3 GLU 24 3HB GLU 24 -4.575 -9.535 -0.322
205 HG2 GLU 24 2HG GLU 24 -7.583 -9.924 -0.351
206 HG3 GLU 24 3HG GLU 24 -6.562 -10.721 0.843
207 H SER 25 H SER 25 -7.548 -7.844 -3.405
208 HA SER 25 HA SER 25 -9.024 -10.210 -4.217
209 HB2 SER 25 2HB SER 25 -10.168 -8.056 -3.528
210 HB3 SER 25 3HB SER 25 -9.536 -7.309 -4.991
211 HG SER 25 HG SER 25 -11.401 -9.421 -4.748
212 H ASN 26 H ASN 26 -7.251 -7.551 -5.833
213 HA ASN 26 HA ASN 26 -6.744 -9.339 -8.151
214 HB2 ASN 26 2HB ASN 26 -6.263 -7.372 -9.483
215 HB3 ASN 26 3HB ASN 26 -7.802 -7.108 -8.678
216 HD21 ASN 26 1HD2 ASN 26 -7.893 -5.554 -6.971
217 HD22 ASN 26 2HD2 ASN 26 -6.683 -4.332 -6.806
218 H HIS 27 H HIS 27 -5.418 -8.378 -5.289
219 HA HIS 27 HA HIS 27 -3.451 -8.472 -4.251
220 HB2 HIS 27 2HB HIS 27 -2.608 -10.116 -6.670
221 HB3 HIS 27 3HB HIS 27 -1.546 -9.833 -5.293
222 HD1 HIS 27 HD1 HIS 27 -1.728 -11.485 -3.443
223 HD2 HIS 27 HD2 HIS 27 -5.106 -11.498 -5.858
224 HE1 HIS 27 HE1 HIS 27 -3.148 -13.371 -2.604
225 HE2 HIS 27 HE2 HIS 27 -5.109 -13.462 -4.182
226 H CYS 28 H CYS 28 -3.436 -6.191 -4.453
227 HA CYS 28 HA CYS 28 -0.924 -5.218 -5.494
228 HB2 CYS 28 2HB CYS 28 -2.513 -5.017 -7.451
229 HB3 CYS 28 3HB CYS 28 -3.468 -3.884 -6.493
230 H VAL 29 H VAL 29 -0.730 -2.785 -4.988
231 HA VAL 29 HA VAL 29 -2.276 -1.902 -2.630
232 HB VAL 29 HB VAL 29 0.761 -1.607 -2.976
233 HG11 VAL 29 1HG1 VAL 29 -0.223 0.328 -1.811
234 HG12 VAL 29 2HG1 VAL 29 0.755 -0.628 -0.700
235 HG13 VAL 29 3HG1 VAL 29 -1.006 -0.745 -0.648
236 HG21 VAL 29 1HG2 VAL 29 -0.739 -3.356 -0.978
237 HG22 VAL 29 2HG2 VAL 29 1.009 -3.106 -1.021
238 HG23 VAL 29 3HG2 VAL 29 0.204 -3.928 -2.356
239 H GLU 30 H GLU 30 -3.366 -0.130 -3.443
240 HA GLU 30 HA GLU 30 -2.023 1.670 -5.359
241 HB2 GLU 30 2HB GLU 30 -4.375 1.200 -5.874
242 HB3 GLU 30 3HB GLU 30 -4.878 1.713 -4.262
243 HG2 GLU 30 2HG GLU 30 -4.051 4.025 -4.784
244 HG3 GLU 30 3HG GLU 30 -3.648 3.479 -6.406
245 H VAL 31 H VAL 31 -0.651 3.105 -4.385
246 HA VAL 31 HA VAL 31 -1.456 4.301 -1.802
247 HB VAL 31 HB VAL 31 1.203 4.632 -3.258
248 HG11 VAL 31 1HG1 VAL 31 2.046 5.314 -1.027
249 HG12 VAL 31 2HG1 VAL 31 0.413 5.181 -0.369
250 HG13 VAL 31 3HG1 VAL 31 0.771 6.382 -1.612
251 HG21 VAL 31 1HG2 VAL 31 0.559 2.595 -1.081
252 HG22 VAL 31 2HG2 VAL 31 2.157 2.920 -1.757
253 HG23 VAL 31 3HG2 VAL 31 0.895 2.235 -2.778
254 H ARG 32 H ARG 32 -2.851 5.847 -2.256
255 HA ARG 32 HA ARG 32 -2.539 7.805 -4.398
256 HB2 ARG 32 2HB ARG 32 -4.762 6.760 -3.910
257 HB3 ARG 32 3HB ARG 32 -4.725 7.426 -2.288
258 HG2 ARG 32 2HG ARG 32 -4.772 9.718 -3.241
259 HG3 ARG 32 3HG ARG 32 -4.841 9.030 -4.853
260 HD2 ARG 32 2HD ARG 32 -6.934 8.782 -2.674
261 HD3 ARG 32 3HD ARG 32 -7.086 9.677 -4.190
262 HE ARG 32 HE ARG 32 -6.790 6.721 -4.112
263 HH11 ARG 32 1HH1 ARG 32 -8.550 9.535 -5.289
264 HH12 ARG 32 2HH1 ARG 32 -9.586 8.593 -6.318
265 HH21 ARG 32 1HH2 ARG 32 -8.124 5.529 -5.473
266 HH22 ARG 32 2HH2 ARG 32 -9.345 6.334 -6.423
267 H CYS 33 H CYS 33 -0.628 8.860 -3.581
268 HA CYS 33 HA CYS 33 -0.387 9.584 -0.858
269 HB2 CYS 33 2HB CYS 33 1.555 9.171 -2.447
270 HB3 CYS 33 3HB CYS 33 1.283 10.796 -3.065
271 H SER 34 H SER 34 -0.855 11.657 -3.715
272 HA SER 34 HA SER 34 -2.955 13.162 -2.612
273 HB2 SER 34 2HB SER 34 -1.144 14.218 -1.217
274 HB3 SER 34 3HB SER 34 -0.308 14.700 -2.693
275 HG SER 34 HG SER 34 -2.548 15.777 -1.474
276 H ASP 35 H ASP 35 -0.150 13.295 -4.755
277 HA ASP 35 HA ASP 35 -1.826 14.296 -6.994
278 HB2 ASP 35 2HB ASP 35 1.158 14.704 -6.489
279 HB3 ASP 35 3HB ASP 35 0.310 15.233 -7.937
280 H THR 36 H THR 36 0.744 12.067 -6.021
281 HA THR 36 HA THR 36 1.516 11.287 -8.655
282 HB THR 36 HB THR 36 2.845 9.474 -7.434
283 HG1 THR 36 HG1 THR 36 2.889 9.879 -5.060
284 HG21 THR 36 1HG2 THR 36 3.203 12.316 -6.402
285 HG22 THR 36 2HG2 THR 36 3.862 11.679 -7.912
286 HG23 THR 36 3HG2 THR 36 4.420 11.039 -6.366
287 H LYS 37 H LYS 37 -0.040 9.370 -6.072
288 HA LYS 37 HA LYS 37 -1.106 7.398 -6.010
289 HB2 LYS 37 2HB LYS 37 -2.912 8.747 -7.068
290 HB3 LYS 37 3HB LYS 37 -2.342 8.246 -8.655
291 HG2 LYS 37 2HG LYS 37 -2.836 5.869 -8.055
292 HG3 LYS 37 3HG LYS 37 -3.471 6.413 -6.501
293 HD2 LYS 37 2HD LYS 37 -4.580 7.134 -9.239
294 HD3 LYS 37 3HD LYS 37 -5.276 5.961 -8.122
295 HE2 LYS 37 2HE LYS 37 -5.680 7.783 -6.484
296 HE3 LYS 37 3HE LYS 37 -5.003 8.946 -7.627
297 HZ1 LYS 37 1HZ LYS 37 -7.404 7.275 -8.108
298 HZ2 LYS 37 2HZ LYS 37 -6.769 8.437 -9.158
299 HZ3 LYS 37 3HZ LYS 37 -7.416 8.910 -7.675
300 H TYR 38 H TYR 38 0.758 6.206 -6.142
301 HA TYR 38 HA TYR 38 1.422 4.884 -8.709
302 HB2 TYR 38 2HB TYR 38 3.621 4.308 -7.523
303 HB3 TYR 38 3HB TYR 38 3.380 6.006 -7.905
304 HD1 TYR 38 HD1 TYR 38 3.708 3.569 -5.194
305 HD2 TYR 38 HD2 TYR 38 2.947 7.659 -6.112
306 HE1 TYR 38 HE1 TYR 38 4.092 4.138 -2.854
307 HE2 TYR 38 HE2 TYR 38 3.347 8.266 -3.778
308 HH TYR 38 HH TYR 38 4.745 6.148 -1.556
309 H THR 39 H THR 39 1.418 2.639 -8.771
310 HA THR 39 HA THR 39 -0.117 1.362 -6.583
311 HB THR 39 HB THR 39 -0.506 0.936 -9.587
312 HG1 THR 39 HG1 THR 39 -1.820 2.670 -7.744
313 HG21 THR 39 1HG2 THR 39 -2.699 -0.008 -8.867
314 HG22 THR 39 2HG2 THR 39 -2.203 0.175 -7.182
315 HG23 THR 39 3HG2 THR 39 -1.331 -0.929 -8.247
316 H LEU 40 H LEU 40 1.279 0.022 -5.651
317 HA LEU 40 HA LEU 40 3.322 -1.494 -7.064
318 HB2 LEU 40 2HB LEU 40 2.648 -1.098 -4.123
319 HB3 LEU 40 3HB LEU 40 3.793 -2.325 -4.639
320 HG LEU 40 HG LEU 40 5.065 -0.340 -5.763
321 HD11 LEU 40 1HD1 LEU 40 3.303 1.342 -5.530
322 HD12 LEU 40 2HD1 LEU 40 4.765 1.832 -4.679
323 HD13 LEU 40 3HD1 LEU 40 3.387 1.207 -3.772
324 HD21 LEU 40 1HD2 LEU 40 6.309 0.091 -3.693
325 HD22 LEU 40 2HD2 LEU 40 5.916 -1.620 -3.843
326 HD23 LEU 40 3HD2 LEU 40 4.994 -0.599 -2.736
327 H CYS 41 H CYS 41 2.272 -3.093 -8.226
328 HA CYS 41 HA CYS 41 0.324 -4.859 -6.890
329 HB2 CYS 41 2HB CYS 41 1.031 -4.545 -9.826
330 HB3 CYS 41 3HB CYS 41 -0.193 -5.645 -9.193
Start of MODEL 19
1 H1 SER 1 1H SER 1 -3.731 -15.945 1.593
2 H2 SER 1 2H SER 1 -4.109 -14.301 1.609
3 H3 SER 1 3H SER 1 -3.149 -14.953 2.835
4 HA SER 1 HA SER 1 -1.409 -15.432 1.289
5 HB2 SER 1 2HB SER 1 -3.257 -14.142 -0.767
6 HB3 SER 1 3HB SER 1 -1.583 -14.643 -1.065
7 HG SER 1 HG SER 1 -2.182 -16.739 -0.898
8 H GLN 2 H GLN 2 -0.238 -14.101 2.541
9 HA GLN 2 HA GLN 2 -0.782 -11.239 2.749
10 HB2 GLN 2 2HB GLN 2 -0.273 -12.738 4.744
11 HB3 GLN 2 3HB GLN 2 1.365 -12.917 4.129
12 HG2 GLN 2 2HG GLN 2 1.648 -10.427 4.340
13 HG3 GLN 2 3HG GLN 2 0.062 -10.347 5.103
14 HE21 GLN 2 1HE2 GLN 2 2.753 -9.679 6.133
15 HE22 GLN 2 2HE2 GLN 2 2.944 -10.619 7.567
16 H GLU 3 H GLU 3 0.108 -12.277 0.215
17 HA GLU 3 HA GLU 3 2.795 -11.726 -0.424
18 HB2 GLU 3 2HB GLU 3 1.351 -13.052 -1.885
19 HB3 GLU 3 3HB GLU 3 0.210 -11.725 -2.057
20 HG2 GLU 3 2HG GLU 3 1.949 -10.452 -3.312
21 HG3 GLU 3 3HG GLU 3 3.020 -11.850 -3.196
22 H THR 4 H THR 4 -0.038 -9.833 -1.412
23 HA THR 4 HA THR 4 1.400 -7.343 -1.576
24 HB THR 4 HB THR 4 -0.341 -7.925 -3.231
25 HG1 THR 4 HG1 THR 4 -0.197 -5.792 -3.214
26 HG21 THR 4 1HG2 THR 4 -1.906 -9.143 -1.763
27 HG22 THR 4 2HG2 THR 4 -2.730 -7.860 -2.650
28 HG23 THR 4 3HG2 THR 4 -2.328 -7.634 -0.946
29 H ARG 5 H ARG 5 -0.451 -8.980 0.860
30 HA ARG 5 HA ARG 5 -1.464 -6.675 2.256
31 HB2 ARG 5 2HB ARG 5 -1.087 -9.429 3.484
32 HB3 ARG 5 3HB ARG 5 -2.219 -8.168 3.961
33 HG2 ARG 5 2HG ARG 5 -3.370 -8.491 1.738
34 HG3 ARG 5 3HG ARG 5 -2.330 -9.900 1.487
35 HD2 ARG 5 2HD ARG 5 -4.377 -10.714 2.368
36 HD3 ARG 5 3HD ARG 5 -3.225 -10.805 3.694
37 HE ARG 5 HE ARG 5 -4.316 -8.409 4.144
38 HH11 ARG 5 1HH1 ARG 5 -5.912 -11.493 3.492
39 HH12 ARG 5 2HH1 ARG 5 -7.326 -11.075 4.407
40 HH21 ARG 5 1HH2 ARG 5 -6.174 -7.884 5.307
41 HH22 ARG 5 2HH2 ARG 5 -7.474 -9.032 5.433
42 H LYS 6 H LYS 6 1.434 -8.718 2.605
43 HA LYS 6 HA LYS 6 2.465 -7.421 4.929
44 HB2 LYS 6 2HB LYS 6 4.439 -8.639 4.628
45 HB3 LYS 6 3HB LYS 6 3.310 -9.628 3.724
46 HG2 LYS 6 2HG LYS 6 5.041 -9.601 2.214
47 HG3 LYS 6 3HG LYS 6 4.202 -8.148 1.673
48 HD2 LYS 6 2HD LYS 6 5.810 -6.909 3.371
49 HD3 LYS 6 3HD LYS 6 6.767 -8.389 3.278
50 HE2 LYS 6 2HE LYS 6 6.008 -6.600 0.943
51 HE3 LYS 6 3HE LYS 6 7.589 -6.680 1.718
52 HZ1 LYS 6 1HZ LYS 6 7.582 -7.966 -0.291
53 HZ2 LYS 6 2HZ LYS 6 6.255 -8.871 0.228
54 HZ3 LYS 6 3HZ LYS 6 7.735 -9.010 1.027
55 H LYS 7 H LYS 7 2.569 -6.713 1.493
56 HA LYS 7 HA LYS 7 4.405 -4.550 1.503
57 HB2 LYS 7 2HB LYS 7 3.892 -5.801 -0.534
58 HB3 LYS 7 3HB LYS 7 2.209 -5.291 -0.471
59 HG2 LYS 7 2HG LYS 7 2.885 -2.956 -0.879
60 HG3 LYS 7 3HG LYS 7 4.584 -3.438 -0.899
61 HD2 LYS 7 2HD LYS 7 2.442 -4.335 -2.865
62 HD3 LYS 7 3HD LYS 7 3.705 -3.147 -3.179
63 HE2 LYS 7 2HE LYS 7 4.106 -6.102 -2.628
64 HE3 LYS 7 3HE LYS 7 4.320 -5.277 -4.172
65 HZ1 LYS 7 1HZ LYS 7 6.161 -4.066 -3.291
66 HZ2 LYS 7 2HZ LYS 7 6.421 -5.705 -2.968
67 HZ3 LYS 7 3HZ LYS 7 5.907 -4.669 -1.734
68 H CYS 8 H CYS 8 0.952 -4.786 2.123
69 HA CYS 8 HA CYS 8 0.139 -2.130 2.080
70 HB2 CYS 8 2HB CYS 8 -1.336 -4.107 2.583
71 HB3 CYS 8 3HB CYS 8 -0.631 -4.192 4.188
72 H THR 9 H THR 9 1.626 -3.961 4.755
73 HA THR 9 HA THR 9 1.816 -1.809 6.608
74 HB THR 9 HB THR 9 3.545 -4.332 6.645
75 HG1 THR 9 HG1 THR 9 0.769 -4.026 7.049
76 HG21 THR 9 1HG2 THR 9 3.996 -2.640 8.421
77 HG22 THR 9 2HG2 THR 9 3.318 -4.123 9.094
78 HG23 THR 9 3HG2 THR 9 2.299 -2.695 8.900
79 H GLU 10 H GLU 10 4.016 -3.253 4.272
80 HA GLU 10 HA GLU 10 6.445 -1.986 4.807
81 HB2 GLU 10 2HB GLU 10 6.269 -3.890 3.314
82 HB3 GLU 10 3HB GLU 10 5.202 -3.016 2.227
83 HG2 GLU 10 2HG GLU 10 7.072 -1.540 1.598
84 HG3 GLU 10 3HG GLU 10 8.134 -2.426 2.687
85 H MET 11 H MET 11 3.702 -0.945 2.829
86 HA MET 11 HA MET 11 4.913 1.551 2.006
87 HB2 MET 11 2HB MET 11 2.051 0.562 1.704
88 HB3 MET 11 3HB MET 11 2.699 2.017 0.967
89 HG2 MET 11 2HG MET 11 3.654 -0.787 0.353
90 HG3 MET 11 3HG MET 11 2.467 0.097 -0.593
91 HE1 MET 11 1HE MET 11 6.064 -0.935 -0.413
92 HE2 MET 11 2HE MET 11 6.259 0.391 0.734
93 HE3 MET 11 3HE MET 11 7.011 0.485 -0.856
94 H LYS 12 H LYS 12 2.842 0.479 4.672
95 HA LYS 12 HA LYS 12 1.893 3.047 5.503
96 HB2 LYS 12 2HB LYS 12 2.289 0.450 7.045
97 HB3 LYS 12 3HB LYS 12 1.571 1.876 7.774
98 HG2 LYS 12 2HG LYS 12 0.312 0.859 5.251
99 HG3 LYS 12 3HG LYS 12 0.120 -0.121 6.701
100 HD2 LYS 12 2HD LYS 12 -1.800 1.302 6.534
101 HD3 LYS 12 3HD LYS 12 -0.826 1.893 7.875
102 HE2 LYS 12 2HE LYS 12 0.050 3.696 6.423
103 HE3 LYS 12 3HE LYS 12 -0.942 3.097 5.091
104 HZ1 LYS 12 1HZ LYS 12 -1.952 4.148 7.682
105 HZ2 LYS 12 2HZ LYS 12 -2.915 3.530 6.441
106 HZ3 LYS 12 3HZ LYS 12 -2.023 4.938 6.187
107 H LYS 13 H LYS 13 4.796 1.186 6.264
108 HA LYS 13 HA LYS 13 5.787 2.819 8.383
109 HB2 LYS 13 2HB LYS 13 7.251 0.850 6.567
110 HB3 LYS 13 3HB LYS 13 7.925 1.541 8.041
111 HG2 LYS 13 2HG LYS 13 6.235 0.416 9.394
112 HG3 LYS 13 3HG LYS 13 5.442 -0.203 7.943
113 HD2 LYS 13 2HD LYS 13 7.529 -1.491 7.404
114 HD3 LYS 13 3HD LYS 13 8.235 -0.927 8.924
115 HE2 LYS 13 2HE LYS 13 6.453 -2.074 10.183
116 HE3 LYS 13 3HE LYS 13 5.714 -2.603 8.670
117 HZ1 LYS 13 1HZ LYS 13 8.380 -3.402 9.709
118 HZ2 LYS 13 2HZ LYS 13 7.783 -3.830 8.190
119 HZ3 LYS 13 3HZ LYS 13 7.004 -4.376 9.583
120 H LYS 14 H LYS 14 6.073 2.998 4.909
121 HA LYS 14 HA LYS 14 8.156 5.080 4.988
122 HB2 LYS 14 2HB LYS 14 6.743 3.778 2.607
123 HB3 LYS 14 3HB LYS 14 8.133 4.858 2.518
124 HG2 LYS 14 2HG LYS 14 9.554 3.209 3.609
125 HG3 LYS 14 3HG LYS 14 8.164 2.156 3.898
126 HD2 LYS 14 2HD LYS 14 7.877 1.884 1.438
127 HD3 LYS 14 3HD LYS 14 9.294 2.906 1.169
128 HE2 LYS 14 2HE LYS 14 9.821 0.488 0.991
129 HE3 LYS 14 3HE LYS 14 10.727 1.265 2.291
130 HZ1 LYS 14 1HZ LYS 14 9.195 0.365 3.886
131 HZ2 LYS 14 2HZ LYS 14 9.784 -0.895 2.932
132 HZ3 LYS 14 3HZ LYS 14 8.228 -0.291 2.673
133 H PHE 15 H PHE 15 4.968 4.586 3.526
134 HA PHE 15 HA PHE 15 4.632 7.459 3.007
135 HB2 PHE 15 2HB PHE 15 2.981 5.104 1.982
136 HB3 PHE 15 3HB PHE 15 3.002 6.743 1.342
137 HD1 PHE 15 HD1 PHE 15 3.978 3.622 0.443
138 HD2 PHE 15 HD2 PHE 15 5.753 7.479 0.998
139 HE1 PHE 15 HE1 PHE 15 5.817 3.004 -1.064
140 HE2 PHE 15 HE2 PHE 15 7.585 6.843 -0.522
141 HZ PHE 15 HZ PHE 15 7.609 4.605 -1.555
142 H LYS 16 H LYS 16 4.379 7.543 5.405
143 HA LYS 16 HA LYS 16 1.960 6.604 6.648
144 HB2 LYS 16 2HB LYS 16 2.784 7.868 8.622
145 HB3 LYS 16 3HB LYS 16 3.990 6.775 7.958
146 HG2 LYS 16 2HG LYS 16 5.169 8.644 6.903
147 HG3 LYS 16 3HG LYS 16 3.928 9.776 7.459
148 HD2 LYS 16 2HD LYS 16 4.521 9.277 9.810
149 HD3 LYS 16 3HD LYS 16 5.738 8.119 9.268
150 HE2 LYS 16 2HE LYS 16 6.999 9.957 8.197
151 HE3 LYS 16 3HE LYS 16 5.779 11.114 8.744
152 HZ1 LYS 16 1HZ LYS 16 6.330 10.604 11.019
153 HZ2 LYS 16 2HZ LYS 16 7.746 11.020 10.195
154 HZ3 LYS 16 3HZ LYS 16 7.411 9.401 10.540
155 H ASN 17 H ASN 17 2.761 9.362 4.794
156 HA ASN 17 HA ASN 17 0.448 10.949 5.756
157 HB2 ASN 17 2HB ASN 17 2.782 11.772 3.962
158 HB3 ASN 17 3HB ASN 17 1.478 12.835 4.488
159 HD21 ASN 17 1HD2 ASN 17 4.386 13.015 4.937
160 HD22 ASN 17 2HD2 ASN 17 4.578 13.116 6.652
161 H CYS 18 H CYS 18 1.305 8.777 3.326
162 HA CYS 18 HA CYS 18 -0.448 9.898 1.245
163 HB2 CYS 18 2HB CYS 18 1.439 7.521 1.249
164 HB3 CYS 18 3HB CYS 18 0.465 8.018 -0.134
165 H GLU 19 H GLU 19 -2.129 8.598 0.291
166 HA GLU 19 HA GLU 19 -3.603 6.944 2.166
167 HB2 GLU 19 2HB GLU 19 -4.690 8.661 0.616
168 HB3 GLU 19 3HB GLU 19 -4.305 7.600 -0.731
169 HG2 GLU 19 2HG GLU 19 -5.674 5.799 0.354
170 HG3 GLU 19 3HG GLU 19 -6.150 6.954 1.597
171 H VAL 20 H VAL 20 -2.301 5.108 2.362
172 HA VAL 20 HA VAL 20 -1.488 3.479 0.088
173 HB VAL 20 HB VAL 20 -1.346 3.024 3.121
174 HG11 VAL 20 1HG1 VAL 20 0.198 1.163 2.657
175 HG12 VAL 20 2HG1 VAL 20 -0.056 1.375 0.923
176 HG13 VAL 20 3HG1 VAL 20 -1.393 0.860 1.953
177 HG21 VAL 20 1HG2 VAL 20 1.055 3.543 2.891
178 HG22 VAL 20 2HG2 VAL 20 0.053 4.896 2.359
179 HG23 VAL 20 3HG2 VAL 20 0.830 3.853 1.166
180 H ARG 21 H ARG 21 -3.111 2.385 -0.924
181 HA ARG 21 HA ARG 21 -5.405 1.227 0.568
182 HB2 ARG 21 2HB ARG 21 -5.150 1.595 -2.455
183 HB3 ARG 21 3HB ARG 21 -6.612 1.251 -1.536
184 HG2 ARG 21 2HG ARG 21 -6.579 3.515 -0.593
185 HG3 ARG 21 3HG ARG 21 -5.051 3.851 -1.416
186 HD2 ARG 21 2HD ARG 21 -6.911 4.837 -2.660
187 HD3 ARG 21 3HD ARG 21 -6.166 3.546 -3.607
188 HE ARG 21 HE ARG 21 -8.555 2.927 -2.001
189 HH11 ARG 21 1HH1 ARG 21 -7.172 3.392 -5.225
190 HH12 ARG 21 2HH1 ARG 21 -8.535 2.672 -6.029
191 HH21 ARG 21 1HH2 ARG 21 -10.333 2.028 -3.080
192 HH22 ARG 21 2HH2 ARG 21 -10.325 1.901 -4.811
193 H CYS 22 H CYS 22 -4.755 -0.849 1.152
194 HA CYS 22 HA CYS 22 -3.407 -2.546 -0.881
195 HB2 CYS 22 2HB CYS 22 -2.841 -4.014 1.078
196 HB3 CYS 22 3HB CYS 22 -2.152 -2.398 1.166
197 H ASP 23 H ASP 23 -4.151 -4.749 -1.169
198 HA ASP 23 HA ASP 23 -6.751 -5.572 -0.320
199 HB2 ASP 23 2HB ASP 23 -7.210 -3.601 -1.956
200 HB3 ASP 23 3HB ASP 23 -6.635 -4.660 -3.237
201 H GLU 24 H GLU 24 -6.583 -7.735 -0.373
202 HA GLU 24 HA GLU 24 -4.421 -9.022 -1.778
203 HB2 GLU 24 2HB GLU 24 -5.317 -11.133 -0.613
204 HB3 GLU 24 3HB GLU 24 -4.708 -9.838 0.399
205 HG2 GLU 24 2HG GLU 24 -6.634 -10.642 1.492
206 HG3 GLU 24 3HG GLU 24 -7.100 -9.110 0.765
207 H SER 25 H SER 25 -7.779 -8.573 -2.407
208 HA SER 25 HA SER 25 -8.061 -10.724 -4.321
209 HB2 SER 25 2HB SER 25 -10.007 -9.879 -3.020
210 HB3 SER 25 3HB SER 25 -9.860 -8.304 -3.805
211 HG SER 25 HG SER 25 -10.090 -9.643 -5.837
212 H ASN 26 H ASN 26 -7.298 -7.270 -4.381
213 HA ASN 26 HA ASN 26 -7.155 -7.063 -7.270
214 HB2 ASN 26 2HB ASN 26 -6.265 -5.145 -5.061
215 HB3 ASN 26 3HB ASN 26 -6.080 -4.791 -6.778
216 HD21 ASN 26 1HD2 ASN 26 -7.604 -3.276 -4.858
217 HD22 ASN 26 2HD2 ASN 26 -9.244 -3.290 -5.397
218 H HIS 27 H HIS 27 -5.014 -7.940 -4.669
219 HA HIS 27 HA HIS 27 -2.853 -8.600 -4.495
220 HB2 HIS 27 2HB HIS 27 -3.060 -8.997 -7.512
221 HB3 HIS 27 3HB HIS 27 -1.693 -9.531 -6.540
222 HD1 HIS 27 HD1 HIS 27 -1.948 -11.678 -5.212
223 HD2 HIS 27 HD2 HIS 27 -5.448 -10.504 -7.132
224 HE1 HIS 27 HE1 HIS 27 -3.525 -13.624 -5.014
225 HE2 HIS 27 HE2 HIS 27 -5.673 -12.815 -6.021
226 H CYS 28 H CYS 28 -3.464 -5.807 -4.784
227 HA CYS 28 HA CYS 28 -0.931 -4.686 -5.703
228 HB2 CYS 28 2HB CYS 28 -3.612 -4.013 -6.976
229 HB3 CYS 28 3HB CYS 28 -2.186 -2.992 -7.136
230 H VAL 29 H VAL 29 -0.365 -3.006 -4.482
231 HA VAL 29 HA VAL 29 -2.323 -1.713 -2.688
232 HB VAL 29 HB VAL 29 0.742 -1.620 -2.587
233 HG11 VAL 29 1HG1 VAL 29 -1.301 -0.615 -0.564
234 HG12 VAL 29 2HG1 VAL 29 -0.266 0.382 -1.588
235 HG13 VAL 29 3HG1 VAL 29 0.451 -0.632 -0.336
236 HG21 VAL 29 1HG2 VAL 29 -0.050 -3.887 -2.085
237 HG22 VAL 29 2HG2 VAL 29 -1.160 -3.259 -0.866
238 HG23 VAL 29 3HG2 VAL 29 0.585 -3.122 -0.627
239 H GLU 30 H GLU 30 -3.195 0.038 -3.723
240 HA GLU 30 HA GLU 30 -1.553 1.773 -5.434
241 HB2 GLU 30 2HB GLU 30 -3.858 1.324 -6.218
242 HB3 GLU 30 3HB GLU 30 -4.516 1.961 -4.709
243 HG2 GLU 30 2HG GLU 30 -3.395 4.175 -5.268
244 HG3 GLU 30 3HG GLU 30 -3.016 3.512 -6.847
245 H VAL 31 H VAL 31 -0.331 3.180 -4.326
246 HA VAL 31 HA VAL 31 -1.306 4.442 -1.868
247 HB VAL 31 HB VAL 31 1.424 4.654 -3.199
248 HG11 VAL 31 1HG1 VAL 31 2.199 5.396 -0.989
249 HG12 VAL 31 2HG1 VAL 31 0.538 5.330 -0.386
250 HG13 VAL 31 3HG1 VAL 31 0.972 6.470 -1.667
251 HG21 VAL 31 1HG2 VAL 31 2.240 2.975 -1.583
252 HG22 VAL 31 2HG2 VAL 31 1.027 2.309 -2.679
253 HG23 VAL 31 3HG2 VAL 31 0.584 2.717 -1.017
254 H ARG 32 H ARG 32 -2.640 6.045 -2.446
255 HA ARG 32 HA ARG 32 -2.038 7.950 -4.581
256 HB2 ARG 32 2HB ARG 32 -4.366 7.045 -4.247
257 HB3 ARG 32 3HB ARG 32 -4.412 7.802 -2.659
258 HG2 ARG 32 2HG ARG 32 -4.030 10.032 -3.890
259 HG3 ARG 32 3HG ARG 32 -4.375 9.140 -5.368
260 HD2 ARG 32 2HD ARG 32 -6.222 9.945 -3.151
261 HD3 ARG 32 3HD ARG 32 -6.490 9.967 -4.893
262 HE ARG 32 HE ARG 32 -6.513 7.487 -3.263
263 HH11 ARG 32 1HH1 ARG 32 -8.019 9.462 -5.769
264 HH12 ARG 32 2HH1 ARG 32 -9.248 8.286 -6.104
265 HH21 ARG 32 1HH2 ARG 32 -8.116 6.001 -3.675
266 HH22 ARG 32 2HH2 ARG 32 -9.305 6.305 -4.903
267 H CYS 33 H CYS 33 -0.150 8.916 -3.597
268 HA CYS 33 HA CYS 33 -0.215 10.247 -1.086
269 HB2 CYS 33 2HB CYS 33 1.554 10.566 -3.522
270 HB3 CYS 33 3HB CYS 33 1.806 11.483 -2.043
271 H SER 34 H SER 34 -0.076 11.852 -4.324
272 HA SER 34 HA SER 34 -2.590 13.132 -4.133
273 HB2 SER 34 2HB SER 34 -1.808 15.528 -3.885
274 HB3 SER 34 3HB SER 34 -1.588 14.565 -2.427
275 HG SER 34 HG SER 34 0.237 15.942 -3.723
276 H ASP 35 H ASP 35 0.620 14.156 -5.371
277 HA ASP 35 HA ASP 35 -0.535 15.025 -7.895
278 HB2 ASP 35 2HB ASP 35 2.333 15.124 -6.857
279 HB3 ASP 35 3HB ASP 35 1.789 15.856 -8.363
280 H THR 36 H THR 36 1.180 12.270 -6.722
281 HA THR 36 HA THR 36 2.100 11.427 -9.392
282 HB THR 36 HB THR 36 2.856 10.351 -6.628
283 HG1 THR 36 HG1 THR 36 3.867 12.381 -8.244
284 HG21 THR 36 1HG2 THR 36 4.052 9.729 -9.359
285 HG22 THR 36 2HG2 THR 36 3.125 8.611 -8.353
286 HG23 THR 36 3HG2 THR 36 4.697 9.191 -7.804
287 H LYS 37 H LYS 37 0.909 9.671 -6.469
288 HA LYS 37 HA LYS 37 -0.360 7.849 -6.137
289 HB2 LYS 37 2HB LYS 37 -2.201 9.163 -7.120
290 HB3 LYS 37 3HB LYS 37 -1.742 8.627 -8.732
291 HG2 LYS 37 2HG LYS 37 -2.196 6.223 -7.847
292 HG3 LYS 37 3HG LYS 37 -3.016 7.019 -6.500
293 HD2 LYS 37 2HD LYS 37 -3.705 7.292 -9.451
294 HD3 LYS 37 3HD LYS 37 -4.632 6.394 -8.246
295 HE2 LYS 37 2HE LYS 37 -5.212 8.454 -7.089
296 HE3 LYS 37 3HE LYS 37 -4.148 9.398 -8.134
297 HZ1 LYS 37 1HZ LYS 37 -6.606 7.955 -8.964
298 HZ2 LYS 37 2HZ LYS 37 -5.561 8.750 -10.023
299 HZ3 LYS 37 3HZ LYS 37 -6.409 9.631 -8.854
300 H TYR 38 H TYR 38 0.481 5.877 -6.270
301 HA TYR 38 HA TYR 38 1.355 4.726 -8.828
302 HB2 TYR 38 2HB TYR 38 3.474 3.926 -7.556
303 HB3 TYR 38 3HB TYR 38 3.422 5.598 -8.068
304 HD1 TYR 38 HD1 TYR 38 3.645 3.381 -5.193
305 HD2 TYR 38 HD2 TYR 38 2.989 7.422 -6.403
306 HE1 TYR 38 HE1 TYR 38 4.150 4.147 -2.914
307 HE2 TYR 38 HE2 TYR 38 3.508 8.181 -4.131
308 HH TYR 38 HH TYR 38 3.515 7.291 -1.858
309 H THR 39 H THR 39 1.527 2.421 -8.785
310 HA THR 39 HA THR 39 0.041 1.114 -6.580
311 HB THR 39 HB THR 39 -0.375 0.551 -9.562
312 HG1 THR 39 HG1 THR 39 -1.423 2.471 -8.006
313 HG21 THR 39 1HG2 THR 39 -1.847 -0.506 -7.110
314 HG22 THR 39 2HG2 THR 39 -0.759 -1.443 -8.136
315 HG23 THR 39 3HG2 THR 39 -2.279 -0.840 -8.794
316 H LEU 40 H LEU 40 1.563 -0.106 -5.654
317 HA LEU 40 HA LEU 40 3.565 -1.591 -7.202
318 HB2 LEU 40 2HB LEU 40 3.300 -0.807 -4.283
319 HB3 LEU 40 3HB LEU 40 4.294 -2.189 -4.716
320 HG LEU 40 HG LEU 40 5.678 -0.694 -6.186
321 HD11 LEU 40 1HD1 LEU 40 4.065 1.561 -4.979
322 HD12 LEU 40 2HD1 LEU 40 4.105 1.075 -6.675
323 HD13 LEU 40 3HD1 LEU 40 5.548 1.745 -5.920
324 HD21 LEU 40 1HD2 LEU 40 6.425 -1.268 -3.927
325 HD22 LEU 40 2HD2 LEU 40 5.544 0.110 -3.261
326 HD23 LEU 40 3HD2 LEU 40 6.912 0.376 -4.344
327 H CYS 41 H CYS 41 2.811 -3.456 -7.927
328 HA CYS 41 HA CYS 41 1.009 -5.140 -6.311
329 HB2 CYS 41 2HB CYS 41 1.761 -5.390 -9.262
330 HB3 CYS 41 3HB CYS 41 0.537 -6.324 -8.409
Start of MODEL 20
1 H1 SER 1 1H SER 1 -1.220 -17.589 1.493
2 H2 SER 1 2H SER 1 -1.948 -16.095 1.211
3 H3 SER 1 3H SER 1 -1.416 -16.496 2.761
4 HA SER 1 HA SER 1 0.849 -16.513 2.056
5 HB2 SER 1 2HB SER 1 0.495 -17.257 -0.275
6 HB3 SER 1 3HB SER 1 -0.309 -15.740 -0.663
7 HG SER 1 HG SER 1 1.850 -15.711 -1.346
8 H GLN 2 H GLN 2 1.580 -14.753 3.140
9 HA GLN 2 HA GLN 2 0.238 -12.185 3.089
10 HB2 GLN 2 2HB GLN 2 1.364 -13.146 5.129
11 HB3 GLN 2 3HB GLN 2 2.919 -12.949 4.333
12 HG2 GLN 2 2HG GLN 2 2.428 -10.451 4.232
13 HG3 GLN 2 3HG GLN 2 1.022 -10.759 5.250
14 HE21 GLN 2 1HE2 GLN 2 1.859 -9.485 6.943
15 HE22 GLN 2 2HE2 GLN 2 3.171 -10.021 7.925
16 H GLU 3 H GLU 3 0.434 -11.923 0.781
17 HA GLU 3 HA GLU 3 3.060 -11.368 -0.423
18 HB2 GLU 3 2HB GLU 3 1.613 -12.917 -1.642
19 HB3 GLU 3 3HB GLU 3 0.268 -11.783 -1.568
20 HG2 GLU 3 2HG GLU 3 1.606 -10.217 -3.031
21 HG3 GLU 3 3HG GLU 3 2.807 -11.502 -3.210
22 H THR 4 H THR 4 -0.133 -9.881 -1.034
23 HA THR 4 HA THR 4 1.051 -7.337 -1.643
24 HB THR 4 HB THR 4 -0.844 -8.128 -2.962
25 HG1 THR 4 HG1 THR 4 -0.775 -5.964 -2.982
26 HG21 THR 4 1HG2 THR 4 -3.137 -8.228 -2.070
27 HG22 THR 4 2HG2 THR 4 -2.542 -7.882 -0.444
28 HG23 THR 4 3HG2 THR 4 -2.098 -9.392 -1.248
29 H ARG 5 H ARG 5 -0.585 -8.742 1.121
30 HA ARG 5 HA ARG 5 -1.177 -6.316 2.503
31 HB2 ARG 5 2HB ARG 5 -0.845 -9.124 3.646
32 HB3 ARG 5 3HB ARG 5 -1.487 -7.733 4.514
33 HG2 ARG 5 2HG ARG 5 -3.378 -7.637 2.898
34 HG3 ARG 5 3HG ARG 5 -2.765 -9.109 2.133
35 HD2 ARG 5 2HD ARG 5 -2.953 -10.257 4.353
36 HD3 ARG 5 3HD ARG 5 -3.714 -8.802 5.002
37 HE ARG 5 HE ARG 5 -5.334 -9.335 2.961
38 HH11 ARG 5 1HH1 ARG 5 -3.985 -11.528 5.369
39 HH12 ARG 5 2HH1 ARG 5 -5.334 -12.609 5.309
40 HH21 ARG 5 1HH2 ARG 5 -7.123 -10.738 2.965
41 HH22 ARG 5 2HH2 ARG 5 -7.106 -12.163 3.948
42 H LYS 6 H LYS 6 1.609 -8.563 2.527
43 HA LYS 6 HA LYS 6 3.154 -7.395 4.546
44 HB2 LYS 6 2HB LYS 6 3.955 -9.496 3.734
45 HB3 LYS 6 3HB LYS 6 3.881 -8.978 2.059
46 HG2 LYS 6 2HG LYS 6 5.829 -7.529 3.818
47 HG3 LYS 6 3HG LYS 6 6.217 -9.207 3.440
48 HD2 LYS 6 2HD LYS 6 6.509 -8.770 1.154
49 HD3 LYS 6 3HD LYS 6 5.464 -7.352 1.172
50 HE2 LYS 6 2HE LYS 6 7.828 -6.769 0.805
51 HE3 LYS 6 3HE LYS 6 7.200 -6.046 2.287
52 HZ1 LYS 6 1HZ LYS 6 8.315 -7.729 3.582
53 HZ2 LYS 6 2HZ LYS 6 9.439 -7.035 2.533
54 HZ3 LYS 6 3HZ LYS 6 8.799 -8.553 2.191
55 H LYS 7 H LYS 7 2.982 -6.748 1.069
56 HA LYS 7 HA LYS 7 4.886 -4.700 0.880
57 HB2 LYS 7 2HB LYS 7 4.039 -5.937 -1.049
58 HB3 LYS 7 3HB LYS 7 2.429 -5.258 -0.832
59 HG2 LYS 7 2HG LYS 7 3.153 -3.073 -1.518
60 HG3 LYS 7 3HG LYS 7 4.858 -3.519 -1.376
61 HD2 LYS 7 2HD LYS 7 2.924 -4.717 -3.389
62 HD3 LYS 7 3HD LYS 7 4.044 -3.401 -3.741
63 HE2 LYS 7 2HE LYS 7 5.958 -4.867 -3.340
64 HE3 LYS 7 3HE LYS 7 4.892 -6.166 -2.802
65 HZ1 LYS 7 1HZ LYS 7 3.950 -6.282 -5.007
66 HZ2 LYS 7 2HZ LYS 7 5.619 -6.505 -5.064
67 HZ3 LYS 7 3HZ LYS 7 4.953 -5.024 -5.540
68 H CYS 8 H CYS 8 1.364 -4.602 1.328
69 HA CYS 8 HA CYS 8 0.841 -1.905 1.488
70 HB2 CYS 8 2HB CYS 8 -1.032 -3.340 1.494
71 HB3 CYS 8 3HB CYS 8 -0.404 -4.309 2.822
72 H THR 9 H THR 9 1.912 -4.131 4.059
73 HA THR 9 HA THR 9 1.649 -2.388 6.255
74 HB THR 9 HB THR 9 3.459 -4.842 5.974
75 HG1 THR 9 HG1 THR 9 0.896 -4.780 5.836
76 HG21 THR 9 1HG2 THR 9 4.081 -3.464 7.939
77 HG22 THR 9 2HG2 THR 9 3.326 -4.978 8.443
78 HG23 THR 9 3HG2 THR 9 2.399 -3.477 8.476
79 H GLU 10 H GLU 10 4.432 -3.182 4.154
80 HA GLU 10 HA GLU 10 6.345 -1.504 5.409
81 HB2 GLU 10 2HB GLU 10 6.990 -3.351 3.888
82 HB3 GLU 10 3HB GLU 10 6.272 -2.488 2.527
83 HG2 GLU 10 2HG GLU 10 7.893 -0.621 2.911
84 HG3 GLU 10 3HG GLU 10 8.660 -1.579 4.180
85 H MET 11 H MET 11 4.048 -0.986 2.731
86 HA MET 11 HA MET 11 4.886 1.633 2.022
87 HB2 MET 11 2HB MET 11 2.189 0.294 1.597
88 HB3 MET 11 3HB MET 11 2.678 1.804 0.849
89 HG2 MET 11 2HG MET 11 3.961 -0.892 0.340
90 HG3 MET 11 3HG MET 11 2.765 -0.125 -0.689
91 HE1 MET 11 1HE MET 11 6.452 -0.786 -0.191
92 HE2 MET 11 2HE MET 11 6.385 0.581 0.923
93 HE3 MET 11 3HE MET 11 7.260 0.727 -0.602
94 H LYS 12 H LYS 12 2.754 0.408 4.538
95 HA LYS 12 HA LYS 12 1.457 2.886 5.180
96 HB2 LYS 12 2HB LYS 12 1.765 0.260 6.680
97 HB3 LYS 12 3HB LYS 12 0.905 1.631 7.368
98 HG2 LYS 12 2HG LYS 12 0.017 0.756 4.646
99 HG3 LYS 12 3HG LYS 12 -0.314 -0.367 5.962
100 HD2 LYS 12 2HD LYS 12 -2.239 1.091 5.556
101 HD3 LYS 12 3HD LYS 12 -1.571 1.395 7.158
102 HE2 LYS 12 2HE LYS 12 -0.464 3.437 6.299
103 HE3 LYS 12 3HE LYS 12 -1.109 3.102 4.689
104 HZ1 LYS 12 1HZ LYS 12 -2.408 4.744 5.988
105 HZ2 LYS 12 2HZ LYS 12 -2.814 3.517 7.074
106 HZ3 LYS 12 3HZ LYS 12 -3.307 3.413 5.470
107 H LYS 13 H LYS 13 4.312 1.146 6.341
108 HA LYS 13 HA LYS 13 4.964 2.882 8.501
109 HB2 LYS 13 2HB LYS 13 6.711 0.926 6.934
110 HB3 LYS 13 3HB LYS 13 7.182 1.709 8.445
111 HG2 LYS 13 2HG LYS 13 5.365 0.587 9.633
112 HG3 LYS 13 3HG LYS 13 4.807 -0.152 8.130
113 HD2 LYS 13 2HD LYS 13 6.945 -1.401 7.960
114 HD3 LYS 13 3HD LYS 13 7.501 -0.658 9.462
115 HE2 LYS 13 2HE LYS 13 5.588 -1.736 10.645
116 HE3 LYS 13 3HE LYS 13 5.134 -2.527 9.135
117 HZ1 LYS 13 1HZ LYS 13 7.693 -2.903 10.599
118 HZ2 LYS 13 2HZ LYS 13 7.287 -3.648 9.141
119 HZ3 LYS 13 3HZ LYS 13 6.410 -3.996 10.538
120 H LYS 14 H LYS 14 6.170 2.560 5.186
121 HA LYS 14 HA LYS 14 7.931 4.778 5.144
122 HB2 LYS 14 2HB LYS 14 6.785 2.870 3.139
123 HB3 LYS 14 3HB LYS 14 7.263 4.425 2.482
124 HG2 LYS 14 2HG LYS 14 9.106 2.646 4.098
125 HG3 LYS 14 3HG LYS 14 9.006 2.626 2.332
126 HD2 LYS 14 2HD LYS 14 9.657 5.036 2.281
127 HD3 LYS 14 3HD LYS 14 9.787 5.037 4.042
128 HE2 LYS 14 2HE LYS 14 11.995 4.840 2.921
129 HE3 LYS 14 3HE LYS 14 11.626 3.448 3.935
130 HZ1 LYS 14 1HZ LYS 14 11.226 3.503 1.001
131 HZ2 LYS 14 2HZ LYS 14 11.083 2.167 2.022
132 HZ3 LYS 14 3HZ LYS 14 12.595 2.871 1.761
133 H PHE 15 H PHE 15 4.888 4.405 3.391
134 HA PHE 15 HA PHE 15 4.653 7.291 3.023
135 HB2 PHE 15 2HB PHE 15 3.003 5.044 1.788
136 HB3 PHE 15 3HB PHE 15 3.130 6.699 1.205
137 HD1 PHE 15 HD1 PHE 15 3.892 3.702 0.037
138 HD2 PHE 15 HD2 PHE 15 6.080 7.169 1.301
139 HE1 PHE 15 HE1 PHE 15 5.809 3.025 -1.354
140 HE2 PHE 15 HE2 PHE 15 7.978 6.462 -0.091
141 HZ PHE 15 HZ PHE 15 7.842 4.401 -1.418
142 H LYS 16 H LYS 16 4.249 7.430 5.335
143 HA LYS 16 HA LYS 16 1.977 6.359 6.642
144 HB2 LYS 16 2HB LYS 16 4.075 6.944 7.791
145 HB3 LYS 16 3HB LYS 16 3.872 8.639 7.349
146 HG2 LYS 16 2HG LYS 16 1.832 8.738 8.753
147 HG3 LYS 16 3HG LYS 16 2.083 7.049 9.213
148 HD2 LYS 16 2HD LYS 16 4.248 7.663 10.249
149 HD3 LYS 16 3HD LYS 16 3.994 9.350 9.786
150 HE2 LYS 16 2HE LYS 16 3.405 9.023 12.132
151 HE3 LYS 16 3HE LYS 16 1.961 9.407 11.197
152 HZ1 LYS 16 1HZ LYS 16 1.455 7.626 12.685
153 HZ2 LYS 16 2HZ LYS 16 2.789 6.728 12.176
154 HZ3 LYS 16 3HZ LYS 16 1.494 6.985 11.122
155 H ASN 17 H ASN 17 2.725 9.513 5.189
156 HA ASN 17 HA ASN 17 0.046 10.579 5.800
157 HB2 ASN 17 2HB ASN 17 2.523 11.981 4.696
158 HB3 ASN 17 3HB ASN 17 0.991 12.774 5.048
159 HD21 ASN 17 1HD2 ASN 17 1.847 14.161 6.589
160 HD22 ASN 17 2HD2 ASN 17 2.412 13.632 8.129
161 H CYS 18 H CYS 18 1.280 8.704 3.478
162 HA CYS 18 HA CYS 18 -0.277 9.902 1.254
163 HB2 CYS 18 2HB CYS 18 1.848 7.718 1.184
164 HB3 CYS 18 3HB CYS 18 1.015 8.377 -0.217
165 H GLU 19 H GLU 19 -1.973 8.656 0.289
166 HA GLU 19 HA GLU 19 -3.306 6.959 2.211
167 HB2 GLU 19 2HB GLU 19 -4.465 8.712 0.857
168 HB3 GLU 19 3HB GLU 19 -4.138 7.776 -0.586
169 HG2 GLU 19 2HG GLU 19 -5.562 5.953 0.218
170 HG3 GLU 19 3HG GLU 19 -5.875 6.834 1.719
171 H VAL 20 H VAL 20 -2.147 5.047 2.311
172 HA VAL 20 HA VAL 20 -1.456 3.478 -0.043
173 HB VAL 20 HB VAL 20 -1.210 2.923 2.953
174 HG11 VAL 20 1HG1 VAL 20 -0.086 1.266 0.663
175 HG12 VAL 20 2HG1 VAL 20 -1.374 0.766 1.759
176 HG13 VAL 20 3HG1 VAL 20 0.260 1.014 2.378
177 HG21 VAL 20 1HG2 VAL 20 0.226 4.747 2.143
178 HG22 VAL 20 2HG2 VAL 20 0.899 3.678 0.907
179 HG23 VAL 20 3HG2 VAL 20 1.185 3.343 2.616
180 H ARG 21 H ARG 21 -3.111 2.464 -1.039
181 HA ARG 21 HA ARG 21 -5.460 1.454 0.406
182 HB2 ARG 21 2HB ARG 21 -4.975 1.844 -2.581
183 HB3 ARG 21 3HB ARG 21 -6.488 1.287 -1.868
184 HG2 ARG 21 2HG ARG 21 -6.744 3.461 -0.719
185 HG3 ARG 21 3HG ARG 21 -5.220 4.019 -1.420
186 HD2 ARG 21 2HD ARG 21 -6.160 3.869 -3.664
187 HD3 ARG 21 3HD ARG 21 -7.651 3.165 -3.034
188 HE ARG 21 HE ARG 21 -6.785 5.904 -2.323
189 HH11 ARG 21 1HH1 ARG 21 -9.299 3.718 -3.511
190 HH12 ARG 21 2HH1 ARG 21 -10.505 4.962 -3.566
191 HH21 ARG 21 1HH2 ARG 21 -8.395 7.514 -2.436
192 HH22 ARG 21 2HH2 ARG 21 -9.996 7.099 -2.961
193 H CYS 22 H CYS 22 -5.162 -0.550 1.120
194 HA CYS 22 HA CYS 22 -3.533 -2.530 -0.345
195 HB2 CYS 22 2HB CYS 22 -4.642 -2.780 2.474
196 HB3 CYS 22 3HB CYS 22 -3.216 -3.556 1.777
197 H ASP 23 H ASP 23 -4.413 -4.743 -0.603
198 HA ASP 23 HA ASP 23 -7.079 -5.435 -0.004
199 HB2 ASP 23 2HB ASP 23 -7.482 -3.634 -1.798
200 HB3 ASP 23 3HB ASP 23 -6.797 -4.757 -2.968
201 H GLU 24 H GLU 24 -7.333 -7.574 -0.162
202 HA GLU 24 HA GLU 24 -5.118 -9.241 -0.965
203 HB2 GLU 24 2HB GLU 24 -6.428 -11.089 0.006
204 HB3 GLU 24 3HB GLU 24 -6.402 -9.712 1.105
205 HG2 GLU 24 2HG GLU 24 -8.687 -9.074 0.238
206 HG3 GLU 24 3HG GLU 24 -8.708 -10.582 -0.672
207 H SER 25 H SER 25 -8.377 -8.532 -2.202
208 HA SER 25 HA SER 25 -8.520 -10.776 -4.005
209 HB2 SER 25 2HB SER 25 -10.542 -9.769 -3.064
210 HB3 SER 25 3HB SER 25 -10.183 -8.231 -3.847
211 HG SER 25 HG SER 25 -11.304 -10.527 -4.870
212 H ASN 26 H ASN 26 -7.611 -7.419 -4.216
213 HA ASN 26 HA ASN 26 -7.295 -7.250 -7.058
214 HB2 ASN 26 2HB ASN 26 -7.691 -5.297 -5.419
215 HB3 ASN 26 3HB ASN 26 -6.000 -5.444 -4.962
216 HD21 ASN 26 1HD2 ASN 26 -7.327 -3.165 -6.133
217 HD22 ASN 26 2HD2 ASN 26 -6.538 -2.829 -7.631
218 H HIS 27 H HIS 27 -5.273 -8.067 -4.290
219 HA HIS 27 HA HIS 27 -3.157 -8.780 -3.983
220 HB2 HIS 27 2HB HIS 27 -3.298 -9.665 -6.898
221 HB3 HIS 27 3HB HIS 27 -2.017 -10.108 -5.776
222 HD1 HIS 27 HD1 HIS 27 -2.493 -11.962 -4.080
223 HD2 HIS 27 HD2 HIS 27 -5.785 -10.990 -6.425
224 HE1 HIS 27 HE1 HIS 27 -4.198 -13.762 -3.657
225 HE2 HIS 27 HE2 HIS 27 -6.229 -13.038 -4.942
226 H CYS 28 H CYS 28 -3.587 -6.105 -4.523
227 HA CYS 28 HA CYS 28 -0.958 -5.219 -5.332
228 HB2 CYS 28 2HB CYS 28 -2.106 -5.325 -7.525
229 HB3 CYS 28 3HB CYS 28 -3.368 -4.261 -6.922
230 H VAL 29 H VAL 29 -0.467 -3.133 -4.705
231 HA VAL 29 HA VAL 29 -2.319 -1.776 -2.834
232 HB VAL 29 HB VAL 29 0.741 -1.727 -2.870
233 HG11 VAL 29 1HG1 VAL 29 0.570 -0.541 -0.703
234 HG12 VAL 29 2HG1 VAL 29 -1.189 -0.509 -0.866
235 HG13 VAL 29 3HG1 VAL 29 -0.181 0.378 -2.011
236 HG21 VAL 29 1HG2 VAL 29 -1.109 -3.142 -0.914
237 HG22 VAL 29 2HG2 VAL 29 0.652 -3.059 -0.793
238 HG23 VAL 29 3HG2 VAL 29 -0.101 -3.928 -2.134
239 H GLU 30 H GLU 30 -3.002 0.191 -3.508
240 HA GLU 30 HA GLU 30 -1.430 1.735 -5.490
241 HB2 GLU 30 2HB GLU 30 -3.722 1.270 -6.258
242 HB3 GLU 30 3HB GLU 30 -4.378 1.938 -4.761
243 HG2 GLU 30 2HG GLU 30 -3.226 4.140 -5.399
244 HG3 GLU 30 3HG GLU 30 -2.945 3.424 -6.981
245 H VAL 31 H VAL 31 -0.208 3.273 -4.474
246 HA VAL 31 HA VAL 31 -1.159 4.463 -1.949
247 HB VAL 31 HB VAL 31 1.540 4.856 -3.298
248 HG11 VAL 31 1HG1 VAL 31 0.982 6.599 -1.680
249 HG12 VAL 31 2HG1 VAL 31 2.290 5.594 -1.056
250 HG13 VAL 31 3HG1 VAL 31 0.645 5.383 -0.443
251 HG21 VAL 31 1HG2 VAL 31 1.272 2.459 -2.829
252 HG22 VAL 31 2HG2 VAL 31 0.865 2.817 -1.145
253 HG23 VAL 31 3HG2 VAL 31 2.482 3.175 -1.758
254 H ARG 32 H ARG 32 -2.513 6.049 -2.401
255 HA ARG 32 HA ARG 32 -2.063 8.011 -4.549
256 HB2 ARG 32 2HB ARG 32 -4.257 6.861 -4.445
257 HB3 ARG 32 3HB ARG 32 -4.492 7.419 -2.798
258 HG2 ARG 32 2HG ARG 32 -4.683 9.730 -3.559
259 HG3 ARG 32 3HG ARG 32 -4.276 9.250 -5.202
260 HD2 ARG 32 2HD ARG 32 -6.761 8.438 -3.660
261 HD3 ARG 32 3HD ARG 32 -6.687 9.601 -4.990
262 HE ARG 32 HE ARG 32 -5.908 6.780 -5.403
263 HH11 ARG 32 1HH1 ARG 32 -8.094 9.442 -6.247
264 HH12 ARG 32 2HH1 ARG 32 -8.745 8.599 -7.609
265 HH21 ARG 32 1HH2 ARG 32 -6.725 5.762 -7.237
266 HH22 ARG 32 2HH2 ARG 32 -7.972 6.516 -8.170
267 H CYS 33 H CYS 33 -0.331 9.152 -3.397
268 HA CYS 33 HA CYS 33 -0.607 9.965 -0.691
269 HB2 CYS 33 2HB CYS 33 1.574 9.728 -2.009
270 HB3 CYS 33 3HB CYS 33 1.236 11.318 -2.672
271 H SER 34 H SER 34 -0.816 11.886 -3.693
272 HA SER 34 HA SER 34 -3.126 13.318 -2.929
273 HB2 SER 34 2HB SER 34 -1.496 14.517 -1.430
274 HB3 SER 34 3HB SER 34 -0.542 14.961 -2.842
275 HG SER 34 HG SER 34 -2.740 16.140 -1.810
276 H ASP 35 H ASP 35 -0.104 13.685 -4.739
277 HA ASP 35 HA ASP 35 -1.575 14.301 -7.236
278 HB2 ASP 35 2HB ASP 35 -0.639 16.364 -6.296
279 HB3 ASP 35 3HB ASP 35 0.944 15.614 -6.128
280 H THR 36 H THR 36 1.064 12.580 -5.646
281 HA THR 36 HA THR 36 2.484 11.810 -8.013
282 HB THR 36 HB THR 36 3.459 9.982 -6.459
283 HG1 THR 36 HG1 THR 36 2.864 11.106 -4.150
284 HG21 THR 36 1HG2 THR 36 4.638 12.126 -6.854
285 HG22 THR 36 2HG2 THR 36 4.860 11.560 -5.199
286 HG23 THR 36 3HG2 THR 36 3.724 12.867 -5.537
287 H LYS 37 H LYS 37 0.634 9.742 -5.758
288 HA LYS 37 HA LYS 37 -0.592 7.886 -5.963
289 HB2 LYS 37 2HB LYS 37 -2.173 9.506 -6.965
290 HB3 LYS 37 3HB LYS 37 -1.524 9.138 -8.558
291 HG2 LYS 37 2HG LYS 37 -2.294 6.724 -8.207
292 HG3 LYS 37 3HG LYS 37 -3.125 7.275 -6.747
293 HD2 LYS 37 2HD LYS 37 -4.703 7.184 -8.649
294 HD3 LYS 37 3HD LYS 37 -4.472 8.853 -8.116
295 HE2 LYS 37 2HE LYS 37 -2.830 9.188 -9.975
296 HE3 LYS 37 3HE LYS 37 -3.154 7.542 -10.523
297 HZ1 LYS 37 1HZ LYS 37 -5.223 9.649 -10.321
298 HZ2 LYS 37 2HZ LYS 37 -5.371 8.131 -11.034
299 HZ3 LYS 37 3HZ LYS 37 -4.375 9.290 -11.736
300 H TYR 38 H TYR 38 1.139 6.492 -6.101
301 HA TYR 38 HA TYR 38 1.800 5.312 -8.743
302 HB2 TYR 38 2HB TYR 38 3.933 4.475 -7.477
303 HB3 TYR 38 3HB TYR 38 3.862 6.154 -7.960
304 HD1 TYR 38 HD1 TYR 38 3.724 3.875 -5.052
305 HD2 TYR 38 HD2 TYR 38 3.734 7.952 -6.342
306 HE1 TYR 38 HE1 TYR 38 4.140 4.597 -2.749
307 HE2 TYR 38 HE2 TYR 38 4.174 8.687 -4.040
308 HH TYR 38 HH TYR 38 5.166 6.617 -1.606
309 H THR 39 H THR 39 2.055 3.006 -8.816
310 HA THR 39 HA THR 39 0.401 1.577 -6.823
311 HB THR 39 HB THR 39 0.474 1.205 -9.849
312 HG1 THR 39 HG1 THR 39 -0.989 2.825 -8.211
313 HG21 THR 39 1HG2 THR 39 -1.425 -0.359 -9.491
314 HG22 THR 39 2HG2 THR 39 -1.223 -0.186 -7.746
315 HG23 THR 39 3HG2 THR 39 0.049 -0.943 -8.706
316 H LEU 40 H LEU 40 1.431 0.012 -5.840
317 HA LEU 40 HA LEU 40 3.686 -1.451 -7.077
318 HB2 LEU 40 2HB LEU 40 3.279 -0.507 -4.217
319 HB3 LEU 40 3HB LEU 40 4.251 -1.933 -4.549
320 HG LEU 40 HG LEU 40 5.684 -0.418 -6.070
321 HD11 LEU 40 1HD1 LEU 40 4.277 1.782 -4.538
322 HD12 LEU 40 2HD1 LEU 40 4.165 1.482 -6.275
323 HD13 LEU 40 3HD1 LEU 40 5.701 1.977 -5.567
324 HD21 LEU 40 1HD2 LEU 40 6.455 -1.280 -3.910
325 HD22 LEU 40 2HD2 LEU 40 5.691 0.077 -3.079
326 HD23 LEU 40 3HD2 LEU 40 7.041 0.361 -4.180
327 H CYS 41 H CYS 41 2.627 -3.200 -7.852
328 HA CYS 41 HA CYS 41 0.475 -4.475 -6.369
329 HB2 CYS 41 2HB CYS 41 1.587 -5.040 -9.151
330 HB3 CYS 41 3HB CYS 41 0.231 -5.902 -8.420