Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639046 | 6dri RC | 30479 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 -1.770 17.356 0.553
2 H2 GLU 1 HT2 GLU 1 -0.643 17.215 -0.698
3 H3 GLU 1 HT3 GLU 1 -0.334 16.541 0.827
4 HA GLU 1 HA GLU 1 -2.501 15.688 -0.956
5 HB2 GLU 1 HB2 GLU 1 -0.239 15.111 -1.813
6 HB3 GLU 1 HB1 GLU 1 0.131 14.352 -0.277
7 HG2 GLU 1 HG2 GLU 1 -0.411 12.664 -1.901
8 HG3 GLU 1 HG1 GLU 1 -1.678 12.724 -0.678
9 H HIS 2 H HIS 2 -4.112 15.307 0.508
10 HA HIS 2 HA HIS 2 -3.431 14.063 3.024
11 HB2 HIS 2 HB2 HIS 2 -6.129 14.847 1.865
12 HB3 HIS 2 HB1 HIS 2 -5.913 14.099 3.442
13 HD1 HIS 2 HD1 HIS 2 -6.450 17.340 2.076
14 HD2 HIS 2 HD2 HIS 2 -3.958 15.801 5.031
15 HE1 HIS 2 HE1 HIS 2 -5.763 19.290 3.489
16 H CYS 3 H CYS 3 -3.129 12.033 3.138
17 HA CYS 3 HA CYS 3 -3.644 10.410 0.834
18 HB2 CYS 3 HB2 CYS 3 -2.215 8.799 2.053
19 HB3 CYS 3 HB1 CYS 3 -1.464 10.375 1.802
20 H ALA 4 H ALA 4 -4.820 8.493 0.832
21 HA ALA 4 HA ALA 4 -6.106 7.588 3.246
22 HB1 ALA 4 HB1 ALA 4 -7.698 9.257 2.419
23 HB2 ALA 4 HB2 ALA 4 -8.353 7.631 2.227
24 HB3 ALA 4 HB3 ALA 4 -7.696 8.488 0.833
25 H ASP 5 H ASP 5 -6.140 5.433 3.189
26 HA ASP 5 HA ASP 5 -5.063 3.933 1.079
27 HB2 ASP 5 HB2 ASP 5 -7.021 2.898 3.136
28 HB3 ASP 5 HB1 ASP 5 -5.875 1.944 2.209
29 H GLU 6 H GLU 6 -5.914 2.802 -0.543
30 HA GLU 6 HA GLU 6 -8.277 3.775 -1.733
31 HB2 GLU 6 HB2 GLU 6 -6.000 2.587 -2.684
32 HB3 GLU 6 HB1 GLU 6 -7.118 1.240 -2.762
33 HG2 GLU 6 HG2 GLU 6 -7.415 3.912 -4.111
34 HG3 GLU 6 HG1 GLU 6 -7.047 2.367 -4.873
35 H LYS 7 H LYS 7 -10.116 2.556 -2.294
36 HA LYS 7 HA LYS 7 -11.087 0.954 -0.094
37 HB2 LYS 7 HB2 LYS 7 -13.274 1.339 -1.020
38 HB3 LYS 7 HB1 LYS 7 -12.378 2.845 -0.892
39 HG2 LYS 7 HG2 LYS 7 -11.794 2.515 -3.354
40 HG3 LYS 7 HG1 LYS 7 -13.038 1.268 -3.362
41 HD2 LYS 7 HD2 LYS 7 -14.122 3.230 -4.084
42 HD3 LYS 7 HD1 LYS 7 -14.551 2.990 -2.377
43 HE2 LYS 7 HE2 LYS 7 -14.011 5.343 -2.833
44 HE3 LYS 7 HE1 LYS 7 -12.897 4.625 -1.682
45 HZ1 LYS 7 HZ1 LYS 7 -12.361 5.105 -4.573
46 HZ2 LYS 7 HZ2 LYS 7 -11.268 4.357 -3.543
47 HZ3 LYS 7 HZ3 LYS 7 -11.716 5.952 -3.284
48 H ASN 8 H ASN 8 -10.360 0.551 -3.415
49 HA ASN 8 HA ASN 8 -11.584 -2.115 -3.464
50 HB2 ASN 8 HB2 ASN 8 -10.411 -0.472 -5.712
51 HB3 ASN 8 HB1 ASN 8 -11.050 -2.098 -5.915
52 HD21 ASN 8 HD21 ASN 8 -11.909 0.435 -7.095
53 HD22 ASN 8 HD22 ASN 8 -13.565 0.615 -6.675
54 H PHE 9 H PHE 9 -8.568 -0.624 -3.229
55 HA PHE 9 HA PHE 9 -7.010 -3.004 -3.902
56 HB2 PHE 9 HB2 PHE 9 -6.260 -0.543 -4.138
57 HB3 PHE 9 HB1 PHE 9 -6.089 -0.583 -2.386
58 HD1 PHE 9 HD1 PHE 9 -5.074 -2.345 -5.442
59 HD2 PHE 9 HD2 PHE 9 -4.146 -1.378 -1.431
60 HE1 PHE 9 HE1 PHE 9 -2.913 -3.352 -5.731
61 HE2 PHE 9 HE2 PHE 9 -1.931 -2.381 -1.689
62 HZ PHE 9 HZ PHE 9 -1.278 -3.365 -3.835
63 H ASP 10 H ASP 10 -6.600 -4.583 -2.413
64 HA ASP 10 HA ASP 10 -7.644 -4.081 0.237
65 HB2 ASP 10 HB2 ASP 10 -8.062 -6.286 -0.925
66 HB3 ASP 10 HB1 ASP 10 -6.354 -6.654 -0.670
67 H CYS 11 H CYS 11 -6.480 -3.059 1.544
68 HA CYS 11 HA CYS 11 -3.666 -2.798 1.348
69 HB2 CYS 11 HB2 CYS 11 -5.509 -1.877 3.576
70 HB3 CYS 11 HB1 CYS 11 -3.884 -1.311 3.227
71 H ARG 12 H ARG 12 -5.778 -4.894 3.136
72 HA ARG 12 HA ARG 12 -3.894 -5.382 5.273
73 HB2 ARG 12 HB2 ARG 12 -6.356 -6.967 4.548
74 HB3 ARG 12 HB1 ARG 12 -5.475 -7.030 6.067
75 HG2 ARG 12 HG2 ARG 12 -7.019 -4.688 4.991
76 HG3 ARG 12 HG1 ARG 12 -7.505 -5.748 6.314
77 HD2 ARG 12 HD2 ARG 12 -5.611 -4.979 7.636
78 HD3 ARG 12 HD1 ARG 12 -5.057 -3.986 6.290
79 HE ARG 12 HE ARG 12 -7.707 -3.358 6.929
80 HH11 ARG 12 HH11 ARG 12 -4.441 -2.952 8.281
81 HH12 ARG 12 HH12 ARG 12 -4.757 -1.429 8.963
82 HH21 ARG 12 HH21 ARG 12 -8.151 -1.266 7.952
83 HH22 ARG 12 HH22 ARG 12 -6.911 -0.457 8.771
84 H ARG 13 H ARG 13 -5.099 -7.124 2.493
85 HA ARG 13 HA ARG 13 -3.579 -9.459 2.732
86 HB2 ARG 13 HB2 ARG 13 -5.493 -9.103 1.199
87 HB3 ARG 13 HB1 ARG 13 -4.482 -8.041 0.236
88 HG2 ARG 13 HG2 ARG 13 -2.952 -9.966 -0.150
89 HG3 ARG 13 HG1 ARG 13 -4.140 -10.994 0.660
90 HD2 ARG 13 HD2 ARG 13 -4.586 -9.316 -1.785
91 HD3 ARG 13 HD1 ARG 13 -4.461 -11.080 -1.739
92 HE ARG 13 HE ARG 13 -6.468 -10.682 -0.090
93 HH11 ARG 13 HH11 ARG 13 -5.892 -9.092 -3.217
94 HH12 ARG 13 HH12 ARG 13 -7.530 -8.969 -3.621
95 HH21 ARG 13 HH21 ARG 13 -8.769 -10.538 -0.682
96 HH22 ARG 13 HH22 ARG 13 -9.207 -9.834 -2.151
97 H SER 14 H SER 14 -3.006 -6.468 0.933
98 HA SER 14 HA SER 14 -0.539 -7.189 -0.157
99 HB2 SER 14 HB2 SER 14 -1.526 -4.414 0.534
100 HB3 SER 14 HB1 SER 14 -0.252 -4.804 -0.625
101 HG SER 14 HG SER 14 -3.021 -5.114 -0.832
102 H LEU 15 H LEU 15 -1.305 -5.765 2.969
103 HA LEU 15 HA LEU 15 1.386 -5.219 3.704
104 HB2 LEU 15 HB2 LEU 15 -0.603 -4.150 4.736
105 HB3 LEU 15 HB1 LEU 15 -1.027 -5.686 5.453
106 HG LEU 15 HG LEU 15 1.084 -5.640 6.745
107 HD11 LEU 15 HD11 LEU 15 1.354 -2.865 5.606
108 HD12 LEU 15 HD12 LEU 15 2.394 -4.250 5.273
109 HD13 LEU 15 HD13 LEU 15 2.349 -3.555 6.894
110 HD21 LEU 15 HD21 LEU 15 -0.998 -4.865 7.733
111 HD22 LEU 15 HD22 LEU 15 -0.705 -3.240 7.109
112 HD23 LEU 15 HD23 LEU 15 0.370 -3.924 8.332
113 H ARG 16 H ARG 16 -0.865 -7.915 4.221
114 HA ARG 16 HA ARG 16 0.734 -9.445 5.882
115 HB2 ARG 16 HB2 ARG 16 -1.641 -9.662 5.774
116 HB3 ARG 16 HB1 ARG 16 -1.583 -10.018 4.060
117 HG2 ARG 16 HG2 ARG 16 -2.041 -11.961 5.351
118 HG3 ARG 16 HG1 ARG 16 -0.486 -12.057 4.493
119 HD2 ARG 16 HD2 ARG 16 -0.360 -12.949 6.838
120 HD3 ARG 16 HD1 ARG 16 0.730 -11.600 6.527
121 HE ARG 16 HE ARG 16 -1.761 -10.725 7.555
122 HH11 ARG 16 HH11 ARG 16 1.332 -12.134 8.555
123 HH12 ARG 16 HH12 ARG 16 1.241 -11.552 10.142
124 HH21 ARG 16 HH21 ARG 16 -1.860 -9.915 9.724
125 HH22 ARG 16 HH22 ARG 16 -0.607 -10.259 10.834
126 H ASN 17 H ASN 17 0.404 -9.222 2.393
127 HA ASN 17 HA ASN 17 1.914 -11.541 1.693
128 HB2 ASN 17 HB2 ASN 17 1.586 -8.963 0.140
129 HB3 ASN 17 HB1 ASN 17 2.256 -10.448 -0.493
130 HD21 ASN 17 HD21 ASN 17 0.080 -8.816 -1.322
131 HD22 ASN 17 HD22 ASN 17 -1.324 -9.833 -1.419
132 H GLY 18 H GLY 18 2.638 -8.153 2.053
133 HA2 GLY 18 HA2 GLY 18 4.761 -7.479 3.021
134 HA3 GLY 18 HA1 GLY 18 5.493 -8.822 2.138
135 H ASP 19 H ASP 19 3.017 -7.115 0.500
136 HA ASP 19 HA ASP 19 4.588 -6.393 -1.692
137 HB2 ASP 19 HB2 ASP 19 1.945 -5.258 -0.749
138 HB3 ASP 19 HB1 ASP 19 2.690 -4.823 -2.275
139 H CYS 20 H CYS 20 3.676 -4.659 1.166
140 HA CYS 20 HA CYS 20 4.746 -2.167 0.228
141 HB2 CYS 20 HB2 CYS 20 2.768 -2.330 1.746
142 HB3 CYS 20 HB1 CYS 20 3.838 -2.899 3.016
143 H ASP 21 H ASP 21 6.286 -4.891 1.338
144 HA ASP 21 HA ASP 21 8.393 -3.307 2.630
145 HB2 ASP 21 HB2 ASP 21 7.487 -5.491 3.632
146 HB3 ASP 21 HB1 ASP 21 8.314 -6.302 2.314
147 H ASN 22 H ASN 22 7.434 -4.463 -0.290
148 HA ASN 22 HA ASN 22 10.039 -5.007 -1.429
149 HB2 ASN 22 HB2 ASN 22 8.150 -6.338 -2.193
150 HB3 ASN 22 HB1 ASN 22 7.232 -4.905 -2.599
151 HD21 ASN 22 HD21 ASN 22 7.942 -7.238 -4.233
152 HD22 ASN 22 HD22 ASN 22 8.808 -6.615 -5.583
153 H ASP 23 H ASP 23 11.276 -3.489 -2.211
154 HA ASP 23 HA ASP 23 10.822 -0.776 -1.901
155 HB2 ASP 23 HB2 ASP 23 13.059 -1.649 -2.021
156 HB3 ASP 23 HB1 ASP 23 12.807 -2.176 -3.680
157 H ASP 24 H ASP 24 10.371 -2.731 -4.798
158 HA ASP 24 HA ASP 24 9.912 -0.378 -6.398
159 HB2 ASP 24 HB2 ASP 24 9.648 -3.310 -7.077
160 HB3 ASP 24 HB1 ASP 24 9.333 -2.008 -8.222
161 H LYS 25 H LYS 25 8.050 -2.331 -4.417
162 HA LYS 25 HA LYS 25 5.580 -1.470 -5.666
163 HB2 LYS 25 HB2 LYS 25 6.266 -3.414 -3.535
164 HB3 LYS 25 HB1 LYS 25 4.627 -2.794 -3.673
165 HG2 LYS 25 HG2 LYS 25 4.390 -3.675 -5.824
166 HG3 LYS 25 HG1 LYS 25 6.113 -4.063 -5.921
167 HD2 LYS 25 HD2 LYS 25 5.955 -5.761 -4.419
168 HD3 LYS 25 HD1 LYS 25 4.461 -5.133 -3.720
169 HE2 LYS 25 HE2 LYS 25 4.649 -6.137 -6.542
170 HE3 LYS 25 HE1 LYS 25 4.239 -7.203 -5.191
171 HZ1 LYS 25 HZ1 LYS 25 2.274 -6.186 -6.431
172 HZ2 LYS 25 HZ2 LYS 25 2.659 -4.709 -5.717
173 HZ3 LYS 25 HZ3 LYS 25 2.305 -6.056 -4.768
174 H LEU 26 H LEU 26 7.722 -0.360 -3.412
175 HA LEU 26 HA LEU 26 6.105 0.814 -1.477
176 HB2 LEU 26 HB2 LEU 26 8.668 1.816 -2.685
177 HB3 LEU 26 HB1 LEU 26 7.873 2.614 -1.337
178 HG LEU 26 HG LEU 26 8.898 -0.220 -1.312
179 HD11 LEU 26 HD11 LEU 26 10.027 2.306 -0.120
180 HD12 LEU 26 HD12 LEU 26 10.711 1.408 -1.475
181 HD13 LEU 26 HD13 LEU 26 10.660 0.679 0.134
182 HD21 LEU 26 HD21 LEU 26 8.543 -0.033 1.101
183 HD22 LEU 26 HD22 LEU 26 7.040 0.128 0.198
184 HD23 LEU 26 HD23 LEU 26 7.823 1.562 0.867
185 H LEU 27 H LEU 27 6.951 2.094 -4.694
186 HA LEU 27 HA LEU 27 5.679 4.524 -4.588
187 HB2 LEU 27 HB2 LEU 27 7.123 3.886 -6.368
188 HB3 LEU 27 HB1 LEU 27 6.121 2.500 -6.758
189 HG LEU 27 HG LEU 27 4.337 4.111 -7.226
190 HD11 LEU 27 HD11 LEU 27 5.046 6.391 -7.968
191 HD12 LEU 27 HD12 LEU 27 6.647 6.057 -7.306
192 HD13 LEU 27 HD13 LEU 27 5.245 6.115 -6.239
193 HD21 LEU 27 HD21 LEU 27 5.150 4.497 -9.536
194 HD22 LEU 27 HD22 LEU 27 5.369 2.863 -8.898
195 HD23 LEU 27 HD23 LEU 27 6.752 3.960 -8.990
196 H GLU 28 H GLU 28 4.552 1.346 -5.555
197 HA GLU 28 HA GLU 28 1.931 1.916 -6.342
198 HB2 GLU 28 HB2 GLU 28 3.074 -0.169 -6.908
199 HB3 GLU 28 HB1 GLU 28 3.204 -0.589 -5.218
200 HG2 GLU 28 HG2 GLU 28 0.828 -0.943 -5.069
201 HG3 GLU 28 HG1 GLU 28 0.609 -0.365 -6.723
202 H MET 29 H MET 29 3.372 1.282 -3.273
203 HA MET 29 HA MET 29 0.820 0.939 -1.950
204 HB2 MET 29 HB2 MET 29 3.641 0.850 -0.939
205 HB3 MET 29 HB1 MET 29 2.247 0.671 0.122
206 HG2 MET 29 HG2 MET 29 3.095 -1.127 -2.144
207 HG3 MET 29 HG1 MET 29 3.085 -1.486 -0.418
208 HE1 MET 29 HE1 MET 29 0.820 -1.523 1.022
209 HE2 MET 29 HE2 MET 29 -0.792 -1.444 0.293
210 HE3 MET 29 3HE MET 29 0.277 -0.028 0.253
211 H GLY 30 H GLY 30 3.066 3.357 -2.514
212 HA2 GLY 30 HA2 GLY 30 2.491 5.154 -0.401
213 HA3 GLY 30 HA1 GLY 30 3.209 5.586 -1.946
214 H TYR 31 H TYR 31 0.933 4.529 -3.436
215 HA TYR 31 HA TYR 31 -0.892 6.663 -2.751
216 HB2 TYR 31 HB2 TYR 31 -1.770 6.577 -5.078
217 HB3 TYR 31 HB1 TYR 31 -0.098 7.092 -4.855
218 HD1 TYR 31 HD1 TYR 31 -2.198 4.252 -5.907
219 HD2 TYR 31 HD2 TYR 31 1.595 6.120 -6.048
220 HE1 TYR 31 HE1 TYR 31 -1.531 2.732 -7.666
221 HE2 TYR 31 HE2 TYR 31 2.299 4.609 -7.798
222 HH TYR 31 HH TYR 31 0.034 2.579 -9.429
223 H TYR 32 H TYR 32 -0.830 3.321 -3.385
224 HA TYR 32 HA TYR 32 -3.660 3.057 -3.250
225 HB2 TYR 32 HB2 TYR 32 -1.505 0.980 -3.170
226 HB3 TYR 32 HB1 TYR 32 -3.152 0.545 -2.764
227 HD1 TYR 32 HD1 TYR 32 -0.972 0.299 -5.289
228 HD2 TYR 32 HD2 TYR 32 -4.835 1.888 -4.562
229 HE1 TYR 32 HE1 TYR 32 -1.509 0.070 -7.670
230 HE2 TYR 32 HE2 TYR 32 -5.395 1.680 -6.905
231 HH TYR 32 HH TYR 32 -4.296 1.513 -9.040
232 H CYS 33 H CYS 33 -1.270 2.087 -0.775
233 HA CYS 33 HA CYS 33 -3.398 2.669 1.140
234 HB2 CYS 33 HB2 CYS 33 -1.760 0.147 1.173
235 HB3 CYS 33 HB1 CYS 33 -2.949 0.633 2.383
236 HA PRO 34 HA PRO 34 0.713 4.409 2.190
237 HB2 PRO 34 HB2 PRO 34 -0.010 6.981 2.515
238 HB3 PRO 34 HB1 PRO 34 0.308 6.286 0.919
239 HG2 PRO 34 HG2 PRO 34 -2.313 6.743 2.289
240 HG3 PRO 34 HG1 PRO 34 -1.868 7.088 0.609
241 HD2 PRO 34 HD2 PRO 34 -3.247 4.890 1.369
242 HD3 PRO 34 HD1 PRO 34 -2.160 4.904 -0.036
243 H VAL 35 H VAL 35 -2.387 4.587 3.670
244 HA VAL 35 HA VAL 35 -1.338 5.668 6.092
245 HB VAL 35 HB VAL 35 -4.118 4.626 5.533
246 HG11 VAL 35 HG11 VAL 35 -4.785 5.971 7.478
247 HG12 VAL 35 HG12 VAL 35 -3.096 6.399 7.754
248 HG13 VAL 35 3HG1 VAL 35 -3.619 4.724 7.926
249 HG21 VAL 35 HG21 VAL 35 -4.700 6.993 5.180
250 HG22 VAL 35 HG22 VAL 35 -3.477 6.426 4.037
251 HG23 VAL 35 HG23 VAL 35 -3.000 7.420 5.402
252 H THR 36 H THR 36 -2.487 2.649 4.803
253 HA THR 36 HA THR 36 -2.209 1.021 7.072
254 HB THR 36 HB THR 36 -1.838 0.267 4.159
255 HG1 THR 36 HG1 THR 36 -3.825 1.254 4.464
256 HG21 THR 36 HG21 THR 36 -2.572 -1.993 4.866
257 HG22 THR 36 HG22 THR 36 -2.669 -1.443 6.535
258 HG23 THR 36 HG23 THR 36 -1.108 -1.517 5.721
259 H CYS 37 H CYS 37 0.156 2.077 4.658
260 HA CYS 37 HA CYS 37 2.238 0.485 5.857
261 HB2 CYS 37 HB2 CYS 37 2.289 2.514 3.635
262 HB3 CYS 37 HB1 CYS 37 3.717 1.657 4.203
263 H GLY 38 H GLY 38 0.789 3.163 6.906
264 HA2 GLY 38 HA2 GLY 38 1.292 4.570 8.621
265 HA3 GLY 38 HA1 GLY 38 2.787 3.678 8.826
266 H PHE 39 H PHE 39 2.059 5.251 5.770
267 HA PHE 39 HA PHE 39 4.430 6.862 6.044
268 HB2 PHE 39 HB2 PHE 39 2.258 7.032 3.935
269 HB3 PHE 39 HB1 PHE 39 3.816 7.833 3.868
270 HD1 PHE 39 HD1 PHE 39 5.703 5.741 4.557
271 HD2 PHE 39 HD2 PHE 39 2.160 5.567 2.267
272 HE1 PHE 39 HE1 PHE 39 6.630 3.827 3.308
273 HE2 PHE 39 HE2 PHE 39 3.059 3.627 1.000
274 HZ PHE 39 HZ PHE 39 5.303 2.767 1.528
275 HA CYS 40 HA CYS 40 1.265 9.616 7.830
276 HB2 CYS 40 HB2 CYS 40 -0.354 10.837 6.233
277 HB3 CYS 40 HB1 CYS 40 1.349 10.747 5.780
278 HN1 NH2 41 H1 CYS 40 0.298 8.339 9.366
279 HN2 NH2 41 H2 CYS 40 -1.344 7.814 9.296
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 -5.388 18.188 -0.003
2 H2 GLU 1 HT2 GLU 1 -4.588 17.380 1.269
3 H3 GLU 1 HT3 GLU 1 -6.143 17.979 1.492
4 HA GLU 1 HA GLU 1 -7.083 16.460 0.036
5 HB2 GLU 1 HB2 GLU 1 -5.686 14.646 -0.940
6 HB3 GLU 1 HB1 GLU 1 -5.286 16.224 -1.594
7 HG2 GLU 1 HG2 GLU 1 -3.345 16.324 -0.087
8 HG3 GLU 1 HG1 GLU 1 -3.746 14.712 0.505
9 H HIS 2 H HIS 2 -7.133 13.953 0.566
10 HA HIS 2 HA HIS 2 -6.610 13.758 3.439
11 HB2 HIS 2 HB2 HIS 2 -8.622 12.286 1.713
12 HB3 HIS 2 HB1 HIS 2 -8.331 11.926 3.403
13 HD1 HIS 2 HD1 HIS 2 -9.588 13.372 5.116
14 HD2 HIS 2 HD2 HIS 2 -9.863 14.793 1.224
15 HE1 HIS 2 HE1 HIS 2 -11.355 15.154 5.151
16 H CYS 3 H CYS 3 -4.746 12.664 3.801
17 HA CYS 3 HA CYS 3 -3.812 10.792 1.907
18 HB2 CYS 3 HB2 CYS 3 -2.051 10.257 3.588
19 HB3 CYS 3 HB1 CYS 3 -2.175 11.979 3.271
20 H ALA 4 H ALA 4 -4.959 9.053 1.546
21 HA ALA 4 HA ALA 4 -5.632 7.296 3.745
22 HB1 ALA 4 HB1 ALA 4 -7.605 8.735 3.522
23 HB2 ALA 4 HB2 ALA 4 -7.957 7.080 3.027
24 HB3 ALA 4 HB3 ALA 4 -7.707 8.329 1.807
25 H ASP 5 H ASP 5 -5.767 5.217 3.123
26 HA ASP 5 HA ASP 5 -4.415 4.371 0.783
27 HB2 ASP 5 HB2 ASP 5 -6.281 2.660 2.419
28 HB3 ASP 5 HB1 ASP 5 -4.876 2.150 1.494
29 H GLU 6 H GLU 6 -5.304 2.967 -0.879
30 HA GLU 6 HA GLU 6 -7.636 4.113 -2.066
31 HB2 GLU 6 HB2 GLU 6 -5.480 3.078 -3.149
32 HB3 GLU 6 HB1 GLU 6 -6.296 1.546 -2.936
33 HG2 GLU 6 HG2 GLU 6 -7.434 3.837 -4.533
34 HG3 GLU 6 HG1 GLU 6 -6.431 2.573 -5.219
35 H LYS 7 H LYS 7 -9.675 3.130 -2.251
36 HA LYS 7 HA LYS 7 -10.287 1.609 0.084
37 HB2 LYS 7 HB2 LYS 7 -12.603 2.129 -0.492
38 HB3 LYS 7 HB1 LYS 7 -11.573 3.551 -0.365
39 HG2 LYS 7 HG2 LYS 7 -11.343 3.436 -2.881
40 HG3 LYS 7 HG1 LYS 7 -12.643 2.251 -2.847
41 HD2 LYS 7 HD2 LYS 7 -12.748 5.028 -1.757
42 HD3 LYS 7 HD1 LYS 7 -13.472 4.505 -3.286
43 HE2 LYS 7 HE2 LYS 7 -14.873 2.925 -2.006
44 HE3 LYS 7 HE1 LYS 7 -14.157 3.558 -0.523
45 HZ1 LYS 7 HZ1 LYS 7 -15.044 5.725 -1.050
46 HZ2 LYS 7 HZ2 LYS 7 -16.300 4.603 -0.983
47 HZ3 LYS 7 HZ3 LYS 7 -15.735 5.143 -2.470
48 H ASN 8 H ASN 8 -10.095 1.045 -3.243
49 HA ASN 8 HA ASN 8 -11.638 -1.441 -3.070
50 HB2 ASN 8 HB2 ASN 8 -10.199 -0.228 -5.443
51 HB3 ASN 8 HB1 ASN 8 -11.212 -1.666 -5.496
52 HD21 ASN 8 HD21 ASN 8 -11.136 1.786 -5.206
53 HD22 ASN 8 HD22 ASN 8 -12.831 2.044 -5.437
54 H PHE 9 H PHE 9 -8.440 -0.298 -3.338
55 HA PHE 9 HA PHE 9 -7.143 -2.838 -3.659
56 HB2 PHE 9 HB2 PHE 9 -6.273 -0.484 -4.235
57 HB3 PHE 9 HB1 PHE 9 -6.012 -0.329 -2.498
58 HD1 PHE 9 HD1 PHE 9 -5.338 -2.726 -5.212
59 HD2 PHE 9 HD2 PHE 9 -3.954 -0.820 -1.701
60 HE1 PHE 9 HE1 PHE 9 -3.225 -3.843 -5.474
61 HE2 PHE 9 HE2 PHE 9 -1.788 -1.927 -1.943
62 HZ PHE 9 HZ PHE 9 -1.387 -3.431 -3.825
63 H ASP 10 H ASP 10 -7.088 -4.282 -2.060
64 HA ASP 10 HA ASP 10 -7.621 -3.385 0.636
65 HB2 ASP 10 HB2 ASP 10 -8.729 -5.456 -0.256
66 HB3 ASP 10 HB1 ASP 10 -7.146 -6.227 -0.292
67 H CYS 11 H CYS 11 -5.898 -2.382 1.345
68 HA CYS 11 HA CYS 11 -3.237 -3.212 0.848
69 HB2 CYS 11 HB2 CYS 11 -4.350 -1.227 2.813
70 HB3 CYS 11 HB1 CYS 11 -2.631 -1.501 2.554
71 H ARG 12 H ARG 12 -5.559 -4.142 3.147
72 HA ARG 12 HA ARG 12 -3.767 -4.948 5.209
73 HB2 ARG 12 HB2 ARG 12 -6.486 -6.040 4.502
74 HB3 ARG 12 HB1 ARG 12 -5.640 -6.327 6.017
75 HG2 ARG 12 HG2 ARG 12 -6.692 -3.697 5.002
76 HG3 ARG 12 HG1 ARG 12 -7.358 -4.681 6.306
77 HD2 ARG 12 HD2 ARG 12 -5.321 -4.357 7.593
78 HD3 ARG 12 HD1 ARG 12 -4.625 -3.403 6.283
79 HE ARG 12 HE ARG 12 -7.123 -2.403 7.238
80 HH11 ARG 12 HH11 ARG 12 -3.637 -2.354 7.808
81 HH12 ARG 12 HH12 ARG 12 -3.643 -0.868 8.641
82 HH21 ARG 12 HH21 ARG 12 -7.128 -0.356 8.433
83 HH22 ARG 12 HH22 ARG 12 -5.663 0.289 8.980
84 H ARG 13 H ARG 13 -5.263 -6.572 2.484
85 HA ARG 13 HA ARG 13 -3.967 -9.036 2.779
86 HB2 ARG 13 HB2 ARG 13 -5.938 -8.631 1.289
87 HB3 ARG 13 HB1 ARG 13 -4.896 -7.733 0.199
88 HG2 ARG 13 HG2 ARG 13 -3.614 -9.719 -0.287
89 HG3 ARG 13 HG1 ARG 13 -4.521 -10.633 0.915
90 HD2 ARG 13 HD2 ARG 13 -5.385 -11.205 -1.245
91 HD3 ARG 13 HD1 ARG 13 -6.587 -10.217 -0.429
92 HE ARG 13 HE ARG 13 -4.931 -8.596 -2.044
93 HH11 ARG 13 HH11 ARG 13 -7.619 -10.918 -2.301
94 HH12 ARG 13 HH12 ARG 13 -8.118 -10.375 -3.835
95 HH21 ARG 13 HH21 ARG 13 -5.610 -7.911 -4.210
96 HH22 ARG 13 HH22 ARG 13 -6.953 -8.633 -4.940
97 H SER 14 H SER 14 -3.091 -6.174 0.818
98 HA SER 14 HA SER 14 -0.780 -7.157 -0.352
99 HB2 SER 14 HB2 SER 14 -1.278 -4.311 0.517
100 HB3 SER 14 HB1 SER 14 -0.270 -4.860 -0.827
101 HG SER 14 HG SER 14 -1.983 -4.935 -2.014
102 H LEU 15 H LEU 15 -1.190 -5.564 2.787
103 HA LEU 15 HA LEU 15 1.519 -5.305 3.478
104 HB2 LEU 15 HB2 LEU 15 -0.361 -4.128 4.579
105 HB3 LEU 15 HB1 LEU 15 -0.875 -5.645 5.281
106 HG LEU 15 HG LEU 15 1.283 -5.746 6.523
107 HD11 LEU 15 HD11 LEU 15 1.634 -2.959 5.438
108 HD12 LEU 15 HD12 LEU 15 2.627 -4.378 5.082
109 HD13 LEU 15 HD13 LEU 15 2.611 -3.700 6.707
110 HD21 LEU 15 HD21 LEU 15 -0.396 -3.290 6.978
111 HD22 LEU 15 HD22 LEU 15 0.676 -4.044 8.162
112 HD23 LEU 15 HD23 LEU 15 -0.740 -4.916 7.568
113 H ARG 16 H ARG 16 -0.828 -7.853 4.030
114 HA ARG 16 HA ARG 16 1.009 -9.465 5.526
115 HB2 ARG 16 HB2 ARG 16 -1.716 -10.013 4.387
116 HB3 ARG 16 HB1 ARG 16 -0.798 -11.201 5.303
117 HG2 ARG 16 HG2 ARG 16 -0.810 -9.794 7.244
118 HG3 ARG 16 HG1 ARG 16 -1.586 -8.496 6.333
119 HD2 ARG 16 HD2 ARG 16 -2.787 -11.219 6.765
120 HD3 ARG 16 HD1 ARG 16 -3.139 -9.812 7.766
121 HE ARG 16 HE ARG 16 -3.811 -8.750 5.593
122 HH11 ARG 16 HH11 ARG 16 -4.128 -12.252 6.069
123 HH12 ARG 16 HH12 ARG 16 -5.602 -12.390 5.234
124 HH21 ARG 16 HH21 ARG 16 -5.902 -8.967 4.390
125 HH22 ARG 16 HH22 ARG 16 -6.601 -10.505 4.278
126 H ASN 17 H ASN 17 0.078 -9.167 2.239
127 HA ASN 17 HA ASN 17 1.163 -11.619 1.260
128 HB2 ASN 17 HB2 ASN 17 0.399 -9.044 -0.073
129 HB3 ASN 17 HB1 ASN 17 1.294 -10.254 -0.972
130 HD21 ASN 17 HD21 ASN 17 -1.058 -11.214 1.448
131 HD22 ASN 17 HD22 ASN 17 -2.233 -11.779 0.335
132 H GLY 18 H GLY 18 2.538 -8.598 2.060
133 HA2 GLY 18 HA2 GLY 18 4.882 -8.505 2.616
134 HA3 GLY 18 HA1 GLY 18 5.166 -9.728 1.392
135 H ASP 19 H ASP 19 2.993 -7.495 0.221
136 HA ASP 19 HA ASP 19 4.943 -6.531 -1.637
137 HB2 ASP 19 HB2 ASP 19 2.000 -5.974 -1.350
138 HB3 ASP 19 HB1 ASP 19 2.992 -5.060 -2.478
139 H CYS 20 H CYS 20 3.595 -5.336 1.260
140 HA CYS 20 HA CYS 20 4.449 -2.641 0.759
141 HB2 CYS 20 HB2 CYS 20 2.446 -3.022 2.099
142 HB3 CYS 20 HB1 CYS 20 3.362 -3.979 3.245
143 H ASP 21 H ASP 21 5.926 -5.474 1.673
144 HA ASP 21 HA ASP 21 8.102 -4.121 3.103
145 HB2 ASP 21 HB2 ASP 21 7.182 -6.170 4.137
146 HB3 ASP 21 HB1 ASP 21 7.540 -7.072 2.674
147 H ASN 22 H ASN 22 7.154 -4.976 0.078
148 HA ASN 22 HA ASN 22 9.773 -5.721 -0.927
149 HB2 ASN 22 HB2 ASN 22 7.658 -6.811 -1.776
150 HB3 ASN 22 HB1 ASN 22 7.211 -5.263 -2.473
151 HD21 ASN 22 HD21 ASN 22 7.656 -7.759 -3.815
152 HD22 ASN 22 HD22 ASN 22 8.942 -7.481 -4.940
153 H ASP 23 H ASP 23 11.143 -4.276 -1.599
154 HA ASP 23 HA ASP 23 10.766 -1.509 -1.518
155 HB2 ASP 23 HB2 ASP 23 12.914 -3.172 -2.820
156 HB3 ASP 23 HB1 ASP 23 12.938 -1.414 -2.850
157 H ASP 24 H ASP 24 10.474 -3.785 -4.099
158 HA ASP 24 HA ASP 24 10.395 -1.973 -6.269
159 HB2 ASP 24 HB2 ASP 24 10.917 -4.229 -6.740
160 HB3 ASP 24 HB1 ASP 24 9.502 -4.816 -5.883
161 H LYS 25 H LYS 25 7.978 -3.145 -4.057
162 HA LYS 25 HA LYS 25 5.853 -2.022 -5.683
163 HB2 LYS 25 HB2 LYS 25 5.689 -3.618 -3.117
164 HB3 LYS 25 HB1 LYS 25 4.334 -3.063 -4.101
165 HG2 LYS 25 HG2 LYS 25 6.437 -4.983 -4.950
166 HG3 LYS 25 HG1 LYS 25 4.798 -5.379 -4.425
167 HD2 LYS 25 HD2 LYS 25 3.970 -3.886 -6.239
168 HD3 LYS 25 HD1 LYS 25 5.628 -3.787 -6.826
169 HE2 LYS 25 HE2 LYS 25 4.617 -5.502 -8.063
170 HE3 LYS 25 HE1 LYS 25 5.694 -6.209 -6.838
171 HZ1 LYS 25 HZ1 LYS 25 3.578 -7.434 -6.967
172 HZ2 LYS 25 HZ2 LYS 25 2.733 -6.046 -6.600
173 HZ3 LYS 25 HZ3 LYS 25 3.745 -6.722 -5.453
174 H LEU 26 H LEU 26 7.938 -0.816 -3.431
175 HA LEU 26 HA LEU 26 6.247 0.454 -1.608
176 HB2 LEU 26 HB2 LEU 26 8.993 1.264 -2.516
177 HB3 LEU 26 HB1 LEU 26 8.129 2.057 -1.214
178 HG LEU 26 HG LEU 26 8.972 -0.829 -1.263
179 HD11 LEU 26 HD11 LEU 26 10.850 0.709 -1.013
180 HD12 LEU 26 HD12 LEU 26 10.544 -0.161 0.491
181 HD13 LEU 26 HD13 LEU 26 10.023 1.515 0.320
182 HD21 LEU 26 HD21 LEU 26 6.934 -0.563 0.010
183 HD22 LEU 26 HD22 LEU 26 7.628 0.800 0.883
184 HD23 LEU 26 HD23 LEU 26 8.289 -0.819 1.108
185 H LEU 27 H LEU 27 7.312 1.594 -4.797
186 HA LEU 27 HA LEU 27 6.369 4.163 -4.748
187 HB2 LEU 27 HB2 LEU 27 7.617 3.290 -6.577
188 HB3 LEU 27 HB1 LEU 27 6.409 2.042 -6.858
189 HG LEU 27 HG LEU 27 4.830 3.837 -7.282
190 HD11 LEU 27 HD11 LEU 27 7.325 5.522 -7.551
191 HD12 LEU 27 HD12 LEU 27 6.011 5.753 -6.399
192 HD13 LEU 27 HD13 LEU 27 5.729 6.011 -8.119
193 HD21 LEU 27 HD21 LEU 27 7.098 3.432 -9.198
194 HD22 LEU 27 HD22 LEU 27 5.498 4.068 -9.632
195 HD23 LEU 27 HD23 LEU 27 5.659 2.431 -8.986
196 H GLU 28 H GLU 28 4.767 1.151 -5.586
197 HA GLU 28 HA GLU 28 2.208 2.095 -6.236
198 HB2 GLU 28 HB2 GLU 28 2.959 -0.576 -5.037
199 HB3 GLU 28 HB1 GLU 28 1.529 -0.219 -5.991
200 HG2 GLU 28 HG2 GLU 28 4.344 -0.049 -7.040
201 HG3 GLU 28 HG1 GLU 28 3.309 -1.464 -7.198
202 H MET 29 H MET 29 3.780 1.191 -3.276
203 HA MET 29 HA MET 29 1.405 0.976 -1.664
204 HB2 MET 29 HB2 MET 29 4.290 1.261 -0.836
205 HB3 MET 29 HB1 MET 29 2.960 0.923 0.255
206 HG2 MET 29 HG2 MET 29 3.918 -0.875 -1.967
207 HG3 MET 29 HG1 MET 29 4.375 -1.016 -0.281
208 HE1 MET 29 HE1 MET 29 1.893 -1.974 -3.047
209 HE2 MET 29 HE2 MET 29 0.881 -0.686 -2.388
210 HE3 MET 29 3HE MET 29 0.403 -2.368 -2.207
211 H GLY 30 H GLY 30 3.521 3.546 -2.560
212 HA2 GLY 30 HA2 GLY 30 2.852 5.230 -0.385
213 HA3 GLY 30 HA1 GLY 30 3.572 5.786 -1.875
214 H TYR 31 H TYR 31 1.370 4.731 -3.516
215 HA TYR 31 HA TYR 31 -0.529 6.760 -2.715
216 HB2 TYR 31 HB2 TYR 31 -1.342 6.863 -5.013
217 HB3 TYR 31 HB1 TYR 31 0.358 7.303 -4.769
218 HD1 TYR 31 HD1 TYR 31 -1.979 5.164 -6.450
219 HD2 TYR 31 HD2 TYR 31 2.134 5.758 -5.607
220 HE1 TYR 31 HE1 TYR 31 -1.391 3.724 -8.311
221 HE2 TYR 31 HE2 TYR 31 2.739 4.332 -7.433
222 HH TYR 31 HH TYR 31 1.748 2.500 -8.769
223 H TYR 32 H TYR 32 -0.353 3.494 -3.409
224 HA TYR 32 HA TYR 32 -3.211 3.209 -3.214
225 HB2 TYR 32 HB2 TYR 32 -1.074 1.090 -3.456
226 HB3 TYR 32 HB1 TYR 32 -2.739 0.663 -3.139
227 HD1 TYR 32 HD1 TYR 32 -4.276 2.422 -4.819
228 HD2 TYR 32 HD2 TYR 32 -0.572 0.501 -5.644
229 HE1 TYR 32 HE1 TYR 32 -4.793 2.482 -7.206
230 HE2 TYR 32 HE2 TYR 32 -1.081 0.564 -8.054
231 HH TYR 32 HH TYR 32 -3.492 2.495 -9.330
232 H CYS 33 H CYS 33 -0.520 2.831 -0.960
233 HA CYS 33 HA CYS 33 -2.500 2.277 1.143
234 HB2 CYS 33 HB2 CYS 33 0.156 0.899 0.789
235 HB3 CYS 33 HB1 CYS 33 -0.979 0.634 2.104
236 HA PRO 34 HA PRO 34 0.904 5.672 2.072
237 HB2 PRO 34 HB2 PRO 34 -0.874 7.645 2.727
238 HB3 PRO 34 HB1 PRO 34 -0.099 7.452 1.146
239 HG2 PRO 34 HG2 PRO 34 -2.789 6.478 2.055
240 HG3 PRO 34 HG1 PRO 34 -2.387 7.344 0.563
241 HD2 PRO 34 HD2 PRO 34 -2.666 4.725 0.448
242 HD3 PRO 34 HD1 PRO 34 -1.272 5.477 -0.337
243 H VAL 35 H VAL 35 -2.135 4.773 3.607
244 HA VAL 35 HA VAL 35 -1.148 5.756 6.140
245 HB VAL 35 HB VAL 35 -3.769 4.370 5.559
246 HG11 VAL 35 HG11 VAL 35 -2.862 5.933 7.972
247 HG12 VAL 35 HG12 VAL 35 -3.108 4.189 7.902
248 HG13 VAL 35 3HG1 VAL 35 -4.485 5.283 7.723
249 HG21 VAL 35 HG21 VAL 35 -3.535 6.439 4.349
250 HG22 VAL 35 HG22 VAL 35 -3.074 7.278 5.821
251 HG23 VAL 35 HG23 VAL 35 -4.719 6.638 5.650
252 H THR 36 H THR 36 -2.057 2.691 4.686
253 HA THR 36 HA THR 36 -1.604 1.064 6.916
254 HB THR 36 HB THR 36 -1.287 0.269 4.020
255 HG1 THR 36 HG1 THR 36 -3.227 1.278 4.196
256 HG21 THR 36 HG21 THR 36 -2.182 -1.295 6.460
257 HG22 THR 36 HG22 THR 36 -0.623 -1.461 5.654
258 HG23 THR 36 HG23 THR 36 -2.103 -1.922 4.813
259 H CYS 37 H CYS 37 0.615 2.050 4.328
260 HA CYS 37 HA CYS 37 2.757 0.552 5.560
261 HB2 CYS 37 HB2 CYS 37 2.546 2.096 3.015
262 HB3 CYS 37 HB1 CYS 37 4.052 1.319 3.531
263 H GLY 38 H GLY 38 1.510 3.311 6.451
264 HA2 GLY 38 HA2 GLY 38 2.283 4.870 7.933
265 HA3 GLY 38 HA1 GLY 38 3.810 4.020 7.930
266 H PHE 39 H PHE 39 2.147 5.800 5.331
267 HA PHE 39 HA PHE 39 4.528 7.495 5.069
268 HB2 PHE 39 HB2 PHE 39 2.043 7.274 3.328
269 HB3 PHE 39 HB1 PHE 39 3.372 8.375 3.016
270 HD1 PHE 39 HD1 PHE 39 5.404 7.604 2.028
271 HD2 PHE 39 HD2 PHE 39 2.311 4.884 3.041
272 HE1 PHE 39 HE1 PHE 39 6.524 5.873 0.697
273 HE2 PHE 39 HE2 PHE 39 3.445 3.121 1.680
274 HZ PHE 39 HZ PHE 39 5.540 3.628 0.528
275 HA CYS 40 HA CYS 40 1.356 10.020 7.160
276 HB2 CYS 40 HB2 CYS 40 0.737 10.629 4.791
277 HB3 CYS 40 HB1 CYS 40 -0.695 9.624 4.985
278 HN1 NH2 41 H1 CYS 40 0.923 8.760 8.961
279 HN2 NH2 41 H2 CYS 40 -0.563 7.921 9.213
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 -2.482 16.869 -0.718
2 H2 GLU 1 HT2 GLU 1 -2.772 16.424 0.902
3 H3 GLU 1 HT3 GLU 1 -4.057 16.787 -0.103
4 HA GLU 1 HA GLU 1 -3.679 14.888 -1.430
5 HB2 GLU 1 HB2 GLU 1 -1.178 14.823 -1.091
6 HB3 GLU 1 HB1 GLU 1 -1.459 14.274 0.548
7 HG2 GLU 1 HG2 GLU 1 -0.856 12.455 -1.008
8 HG3 GLU 1 HG1 GLU 1 -2.416 12.228 -0.213
9 H HIS 2 H HIS 2 -4.746 12.974 -0.829
10 HA HIS 2 HA HIS 2 -5.969 13.189 1.821
11 HB2 HIS 2 HB2 HIS 2 -6.766 11.487 -0.553
12 HB3 HIS 2 HB1 HIS 2 -7.611 11.560 0.986
13 HD1 HIS 2 HD1 HIS 2 -7.856 12.870 -2.302
14 HD2 HIS 2 HD2 HIS 2 -8.409 14.426 1.503
15 HE1 HIS 2 HE1 HIS 2 -9.319 14.891 -2.585
16 H CYS 3 H CYS 3 -4.890 12.134 3.297
17 HA CYS 3 HA CYS 3 -3.392 9.779 2.607
18 HB2 CYS 3 HB2 CYS 3 -3.667 11.167 5.268
19 HB3 CYS 3 HB1 CYS 3 -2.526 9.885 4.860
20 H ALA 4 H ALA 4 -5.049 8.407 2.087
21 HA ALA 4 HA ALA 4 -6.118 6.957 4.350
22 HB1 ALA 4 HB1 ALA 4 -8.408 6.932 3.479
23 HB2 ALA 4 HB2 ALA 4 -7.926 8.009 2.170
24 HB3 ALA 4 HB3 ALA 4 -7.904 8.588 3.837
25 H ASP 5 H ASP 5 -6.048 4.848 3.929
26 HA ASP 5 HA ASP 5 -4.817 3.825 1.606
27 HB2 ASP 5 HB2 ASP 5 -6.609 2.290 3.498
28 HB3 ASP 5 HB1 ASP 5 -5.430 1.606 2.395
29 H GLU 6 H GLU 6 -5.575 2.862 -0.225
30 HA GLU 6 HA GLU 6 -7.990 3.782 -1.258
31 HB2 GLU 6 HB2 GLU 6 -6.066 3.424 -2.665
32 HB3 GLU 6 HB1 GLU 6 -6.005 1.730 -2.245
33 HG2 GLU 6 HG2 GLU 6 -6.846 2.185 -4.499
34 HG3 GLU 6 HG1 GLU 6 -7.980 1.289 -3.491
35 H LYS 7 H LYS 7 -9.859 2.807 -1.710
36 HA LYS 7 HA LYS 7 -10.682 0.693 0.066
37 HB2 LYS 7 HB2 LYS 7 -12.941 1.335 -0.583
38 HB3 LYS 7 HB1 LYS 7 -12.008 2.732 -0.078
39 HG2 LYS 7 HG2 LYS 7 -11.608 3.258 -2.477
40 HG3 LYS 7 HG1 LYS 7 -12.681 1.931 -2.902
41 HD2 LYS 7 HD2 LYS 7 -14.058 3.816 -2.998
42 HD3 LYS 7 HD1 LYS 7 -14.362 3.075 -1.416
43 HE2 LYS 7 HE2 LYS 7 -14.182 5.526 -1.225
44 HE3 LYS 7 HE1 LYS 7 -12.911 4.696 -0.333
45 HZ1 LYS 7 HZ1 LYS 7 -12.119 6.632 -1.601
46 HZ2 LYS 7 HZ2 LYS 7 -12.522 5.855 -3.050
47 HZ3 LYS 7 HZ3 LYS 7 -11.353 5.215 -2.041
48 H ASN 8 H ASN 8 -10.133 1.220 -3.234
49 HA ASN 8 HA ASN 8 -11.438 -1.258 -4.096
50 HB2 ASN 8 HB2 ASN 8 -9.836 0.753 -5.695
51 HB3 ASN 8 HB1 ASN 8 -10.639 -0.650 -6.385
52 HD21 ASN 8 HD21 ASN 8 -11.049 2.510 -5.018
53 HD22 ASN 8 HD22 ASN 8 -12.698 2.703 -5.478
54 H PHE 9 H PHE 9 -8.566 -0.463 -2.816
55 HA PHE 9 HA PHE 9 -7.009 -2.656 -4.076
56 HB2 PHE 9 HB2 PHE 9 -6.253 -0.190 -4.141
57 HB3 PHE 9 HB1 PHE 9 -6.046 -0.361 -2.403
58 HD1 PHE 9 HD1 PHE 9 -4.056 -1.162 -1.566
59 HD2 PHE 9 HD2 PHE 9 -5.112 -1.866 -5.602
60 HE1 PHE 9 HE1 PHE 9 -1.828 -2.084 -1.979
61 HE2 PHE 9 HE2 PHE 9 -2.950 -2.787 -6.045
62 HZ PHE 9 HZ PHE 9 -1.236 -2.891 -4.216
63 H ASP 10 H ASP 10 -6.213 -4.190 -2.502
64 HA ASP 10 HA ASP 10 -7.355 -3.645 0.123
65 HB2 ASP 10 HB2 ASP 10 -8.144 -5.776 -0.968
66 HB3 ASP 10 HB1 ASP 10 -6.500 -6.394 -0.802
67 H CYS 11 H CYS 11 -5.999 -2.579 1.177
68 HA CYS 11 HA CYS 11 -3.206 -2.805 1.029
69 HB2 CYS 11 HB2 CYS 11 -4.978 -1.495 3.078
70 HB3 CYS 11 HB1 CYS 11 -3.236 -1.256 2.943
71 H ARG 12 H ARG 12 -5.516 -4.586 2.765
72 HA ARG 12 HA ARG 12 -3.843 -5.236 5.016
73 HB2 ARG 12 HB2 ARG 12 -6.307 -6.756 4.135
74 HB3 ARG 12 HB1 ARG 12 -5.687 -6.552 5.769
75 HG2 ARG 12 HG2 ARG 12 -6.986 -4.409 4.074
76 HG3 ARG 12 HG1 ARG 12 -7.705 -5.230 5.455
77 HD2 ARG 12 HD2 ARG 12 -6.378 -4.102 6.977
78 HD3 ARG 12 HD1 ARG 12 -5.124 -3.755 5.785
79 HE ARG 12 HE ARG 12 -7.744 -2.467 5.505
80 HH11 ARG 12 HH11 ARG 12 -4.355 -2.176 6.446
81 HH12 ARG 12 HH12 ARG 12 -4.218 -0.534 6.071
82 HH21 ARG 12 HH21 ARG 12 -7.592 -0.120 5.054
83 HH22 ARG 12 HH22 ARG 12 -6.126 0.686 5.338
84 H ARG 13 H ARG 13 -5.051 -6.868 2.119
85 HA ARG 13 HA ARG 13 -3.550 -9.217 2.271
86 HB2 ARG 13 HB2 ARG 13 -5.454 -8.849 0.748
87 HB3 ARG 13 HB1 ARG 13 -4.507 -7.686 -0.153
88 HG2 ARG 13 HG2 ARG 13 -3.010 -9.431 -0.897
89 HG3 ARG 13 HG1 ARG 13 -3.858 -10.613 0.104
90 HD2 ARG 13 HD2 ARG 13 -4.599 -10.780 -2.210
91 HD3 ARG 13 HD1 ARG 13 -5.905 -10.229 -1.168
92 HE ARG 13 HE ARG 13 -4.363 -8.199 -2.553
93 HH11 ARG 13 HH11 ARG 13 -7.393 -10.028 -2.373
94 HH12 ARG 13 HH12 ARG 13 -8.216 -9.077 -3.522
95 HH21 ARG 13 HH21 ARG 13 -5.518 -6.885 -4.141
96 HH22 ARG 13 HH22 ARG 13 -7.120 -7.251 -4.565
97 H SER 14 H SER 14 -2.836 -6.074 0.861
98 HA SER 14 HA SER 14 -0.343 -6.748 -0.264
99 HB2 SER 14 HB2 SER 14 -1.328 -4.059 0.698
100 HB3 SER 14 HB1 SER 14 -0.013 -4.331 -0.448
101 HG SER 14 HG SER 14 -2.770 -4.546 -0.812
102 H LEU 15 H LEU 15 -1.275 -5.862 2.985
103 HA LEU 15 HA LEU 15 1.403 -5.429 3.904
104 HB2 LEU 15 HB2 LEU 15 -0.781 -4.471 4.884
105 HB3 LEU 15 HB1 LEU 15 -1.070 -6.054 5.550
106 HG LEU 15 HG LEU 15 -0.233 -4.413 7.205
107 HD11 LEU 15 HD11 LEU 15 1.504 -5.768 8.231
108 HD12 LEU 15 HD12 LEU 15 1.659 -6.693 6.734
109 HD13 LEU 15 HD13 LEU 15 0.154 -6.747 7.653
110 HD21 LEU 15 HD21 LEU 15 1.205 -3.085 5.754
111 HD22 LEU 15 HD22 LEU 15 2.303 -4.450 5.575
112 HD23 LEU 15 HD23 LEU 15 2.100 -3.684 7.145
113 H ARG 16 H ARG 16 -0.941 -8.034 3.860
114 HA ARG 16 HA ARG 16 0.549 -9.933 5.332
115 HB2 ARG 16 HB2 ARG 16 -1.703 -10.269 3.354
116 HB3 ARG 16 HB1 ARG 16 -1.052 -11.583 4.324
117 HG2 ARG 16 HG2 ARG 16 -1.767 -10.564 6.344
118 HG3 ARG 16 HG1 ARG 16 -2.167 -9.061 5.516
119 HD2 ARG 16 HD2 ARG 16 -4.182 -10.337 6.044
120 HD3 ARG 16 HD1 ARG 16 -3.942 -10.192 4.313
121 HE ARG 16 HE ARG 16 -3.106 -12.483 4.337
122 HH11 ARG 16 HH11 ARG 16 -5.024 -11.498 7.161
123 HH12 ARG 16 HH12 ARG 16 -5.669 -13.056 7.407
124 HH21 ARG 16 HH21 ARG 16 -3.969 -14.563 4.710
125 HH22 ARG 16 HH22 ARG 16 -5.048 -14.848 6.001
126 H ASN 17 H ASN 17 0.193 -9.442 1.812
127 HA ASN 17 HA ASN 17 1.906 -11.541 0.967
128 HB2 ASN 17 HB2 ASN 17 1.439 -8.866 -0.365
129 HB3 ASN 17 HB1 ASN 17 2.227 -10.243 -1.099
130 HD21 ASN 17 HD21 ASN 17 0.042 -8.752 -1.947
131 HD22 ASN 17 HD22 ASN 17 -1.307 -9.815 -2.171
132 H GLY 18 H GLY 18 2.389 -8.240 1.892
133 HA2 GLY 18 HA2 GLY 18 4.419 -7.588 2.978
134 HA3 GLY 18 HA1 GLY 18 5.265 -8.744 1.951
135 H ASP 19 H ASP 19 2.955 -7.225 0.127
136 HA ASP 19 HA ASP 19 4.705 -5.875 -1.634
137 HB2 ASP 19 HB2 ASP 19 1.783 -5.229 -1.136
138 HB3 ASP 19 HB1 ASP 19 2.724 -4.694 -2.513
139 H CYS 20 H CYS 20 2.884 -4.879 1.080
140 HA CYS 20 HA CYS 20 3.136 -2.091 0.946
141 HB2 CYS 20 HB2 CYS 20 1.498 -3.300 2.311
142 HB3 CYS 20 HB1 CYS 20 2.797 -3.890 3.331
143 H ASP 21 H ASP 21 5.429 -4.508 1.991
144 HA ASP 21 HA ASP 21 7.148 -2.363 3.064
145 HB2 ASP 21 HB2 ASP 21 6.534 -4.172 4.669
146 HB3 ASP 21 HB1 ASP 21 7.308 -5.338 3.606
147 H ASN 22 H ASN 22 6.637 -4.304 0.468
148 HA ASN 22 HA ASN 22 9.319 -5.047 -0.222
149 HB2 ASN 22 HB2 ASN 22 7.279 -6.321 -0.960
150 HB3 ASN 22 HB1 ASN 22 6.834 -4.950 -1.960
151 HD21 ASN 22 HD21 ASN 22 7.348 -7.665 -2.762
152 HD22 ASN 22 HD22 ASN 22 8.665 -7.640 -3.868
153 H ASP 23 H ASP 23 10.746 -3.708 -1.005
154 HA ASP 23 HA ASP 23 10.413 -0.994 -1.460
155 HB2 ASP 23 HB2 ASP 23 12.541 -2.850 -2.464
156 HB3 ASP 23 HB1 ASP 23 12.588 -1.113 -2.708
157 H ASP 24 H ASP 24 10.190 -3.637 -3.698
158 HA ASP 24 HA ASP 24 10.326 -2.015 -6.035
159 HB2 ASP 24 HB2 ASP 24 9.341 -4.839 -5.702
160 HB3 ASP 24 HB1 ASP 24 9.647 -4.043 -7.240
161 H LYS 25 H LYS 25 7.786 -2.875 -3.871
162 HA LYS 25 HA LYS 25 5.853 -1.923 -5.831
163 HB2 LYS 25 HB2 LYS 25 5.503 -3.594 -3.360
164 HB3 LYS 25 HB1 LYS 25 4.149 -2.739 -4.078
165 HG2 LYS 25 HG2 LYS 25 4.036 -4.930 -4.866
166 HG3 LYS 25 HG1 LYS 25 4.687 -3.965 -6.191
167 HD2 LYS 25 HD2 LYS 25 6.906 -4.780 -5.741
168 HD3 LYS 25 HD1 LYS 25 6.333 -5.661 -4.320
169 HE2 LYS 25 HE2 LYS 25 4.803 -6.922 -5.790
170 HE3 LYS 25 HE1 LYS 25 5.532 -6.129 -7.184
171 HZ1 LYS 25 HZ1 LYS 25 6.920 -7.907 -5.254
172 HZ2 LYS 25 HZ2 LYS 25 7.668 -7.143 -6.559
173 HZ3 LYS 25 HZ3 LYS 25 6.493 -8.312 -6.823
174 H LEU 26 H LEU 26 7.697 -0.705 -3.399
175 HA LEU 26 HA LEU 26 5.937 0.624 -1.747
176 HB2 LEU 26 HB2 LEU 26 8.726 1.377 -2.510
177 HB3 LEU 26 HB1 LEU 26 7.789 2.322 -1.371
178 HG LEU 26 HG LEU 26 8.551 -0.576 -1.048
179 HD11 LEU 26 HD11 LEU 26 9.984 0.241 0.755
180 HD12 LEU 26 HD12 LEU 26 9.495 1.897 0.397
181 HD13 LEU 26 HD13 LEU 26 10.432 0.985 -0.783
182 HD21 LEU 26 HD21 LEU 26 7.649 -0.305 1.233
183 HD22 LEU 26 HD22 LEU 26 6.417 -0.161 -0.012
184 HD23 LEU 26 HD23 LEU 26 7.039 1.289 0.779
185 H LEU 27 H LEU 27 7.011 1.772 -4.914
186 HA LEU 27 HA LEU 27 6.079 4.355 -4.813
187 HB2 LEU 27 HB2 LEU 27 7.342 3.539 -6.659
188 HB3 LEU 27 HB1 LEU 27 6.148 2.288 -6.977
189 HG LEU 27 HG LEU 27 4.557 4.045 -7.420
190 HD11 LEU 27 HD11 LEU 27 5.426 6.278 -8.156
191 HD12 LEU 27 HD12 LEU 27 7.004 5.816 -7.514
192 HD13 LEU 27 HD13 LEU 27 5.619 5.968 -6.431
193 HD21 LEU 27 HD21 LEU 27 5.347 4.430 -9.742
194 HD22 LEU 27 HD22 LEU 27 5.463 2.764 -9.162
195 HD23 LEU 27 HD23 LEU 27 6.915 3.767 -9.251
196 H GLU 28 H GLU 28 4.423 1.385 -5.757
197 HA GLU 28 HA GLU 28 1.922 2.588 -6.317
198 HB2 GLU 28 HB2 GLU 28 2.594 -0.274 -5.628
199 HB3 GLU 28 HB1 GLU 28 1.055 0.274 -6.271
200 HG2 GLU 28 HG2 GLU 28 2.159 0.991 -8.316
201 HG3 GLU 28 HG1 GLU 28 3.709 0.455 -7.670
202 H MET 29 H MET 29 3.471 1.354 -3.519
203 HA MET 29 HA MET 29 1.056 1.027 -2.004
204 HB2 MET 29 HB2 MET 29 3.923 1.007 -1.082
205 HB3 MET 29 HB1 MET 29 2.546 0.563 -0.093
206 HG2 MET 29 HG2 MET 29 3.597 -0.850 -2.524
207 HG3 MET 29 HG1 MET 29 3.595 -1.445 -0.873
208 HE1 MET 29 HE1 MET 29 1.156 -1.767 0.458
209 HE2 MET 29 HE2 MET 29 -0.394 -1.685 -0.391
210 HE3 MET 29 3HE MET 29 0.606 -0.237 -0.223
211 H GLY 30 H GLY 30 3.337 3.477 -2.571
212 HA2 GLY 30 HA2 GLY 30 2.901 5.062 -0.279
213 HA3 GLY 30 HA1 GLY 30 3.566 5.651 -1.789
214 H TYR 31 H TYR 31 1.320 4.948 -3.385
215 HA TYR 31 HA TYR 31 -0.423 7.022 -2.393
216 HB2 TYR 31 HB2 TYR 31 -1.375 7.212 -4.640
217 HB3 TYR 31 HB1 TYR 31 0.360 7.524 -4.536
218 HD1 TYR 31 HD1 TYR 31 -2.250 5.338 -5.806
219 HD2 TYR 31 HD2 TYR 31 1.932 6.077 -5.698
220 HE1 TYR 31 HE1 TYR 31 -1.947 3.852 -7.682
221 HE2 TYR 31 HE2 TYR 31 2.261 4.594 -7.567
222 HH TYR 31 HH TYR 31 1.123 2.720 -8.713
223 H TYR 32 H TYR 32 -0.556 3.728 -3.331
224 HA TYR 32 HA TYR 32 -3.374 3.545 -3.048
225 HB2 TYR 32 HB2 TYR 32 -1.275 1.399 -3.178
226 HB3 TYR 32 HB1 TYR 32 -2.914 0.988 -2.725
227 HD1 TYR 32 HD1 TYR 32 -4.678 2.300 -4.366
228 HD2 TYR 32 HD2 TYR 32 -0.784 0.951 -5.370
229 HE1 TYR 32 HE1 TYR 32 -5.357 2.150 -6.702
230 HE2 TYR 32 HE2 TYR 32 -1.441 0.802 -7.734
231 HH TYR 32 HH TYR 32 -4.360 2.147 -8.881
232 H CYS 33 H CYS 33 -0.780 2.741 -0.727
233 HA CYS 33 HA CYS 33 -2.895 2.791 1.291
234 HB2 CYS 33 HB2 CYS 33 -0.618 0.820 1.276
235 HB3 CYS 33 HB1 CYS 33 -1.985 0.885 2.388
236 HA PRO 34 HA PRO 34 0.701 5.620 2.208
237 HB2 PRO 34 HB2 PRO 34 -0.806 7.689 3.096
238 HB3 PRO 34 HB1 PRO 34 -0.334 7.452 1.407
239 HG2 PRO 34 HG2 PRO 34 -2.904 6.721 2.764
240 HG3 PRO 34 HG1 PRO 34 -2.677 7.526 1.206
241 HD2 PRO 34 HD2 PRO 34 -3.213 4.930 1.341
242 HD3 PRO 34 HD1 PRO 34 -2.069 5.556 0.138
243 H VAL 35 H VAL 35 -2.147 4.636 3.919
244 HA VAL 35 HA VAL 35 -1.116 5.587 6.432
245 HB VAL 35 HB VAL 35 -3.646 4.023 5.923
246 HG11 VAL 35 HG11 VAL 35 -4.336 4.896 8.115
247 HG12 VAL 35 HG12 VAL 35 -2.753 5.666 8.290
248 HG13 VAL 35 3HG1 VAL 35 -2.875 3.909 8.239
249 HG21 VAL 35 HG21 VAL 35 -4.755 6.218 6.021
250 HG22 VAL 35 HG22 VAL 35 -3.574 6.098 4.698
251 HG23 VAL 35 HG23 VAL 35 -3.160 6.979 6.155
252 H THR 36 H THR 36 -2.008 2.515 4.982
253 HA THR 36 HA THR 36 -1.387 0.778 7.052
254 HB THR 36 HB THR 36 -1.032 0.226 4.107
255 HG1 THR 36 HG1 THR 36 -3.092 1.108 4.592
256 HG21 THR 36 HG21 THR 36 -1.629 -2.082 4.731
257 HG22 THR 36 HG22 THR 36 -1.694 -1.598 6.428
258 HG23 THR 36 HG23 THR 36 -0.164 -1.545 5.555
259 H CYS 37 H CYS 37 0.779 1.699 4.365
260 HA CYS 37 HA CYS 37 2.923 0.205 5.486
261 HB2 CYS 37 HB2 CYS 37 2.930 2.214 3.270
262 HB3 CYS 37 HB1 CYS 37 4.222 1.062 3.609
263 H GLY 38 H GLY 38 1.741 3.267 6.210
264 HA2 GLY 38 HA2 GLY 38 2.515 4.554 7.986
265 HA3 GLY 38 HA1 GLY 38 4.045 3.703 7.905
266 H PHE 39 H PHE 39 2.301 5.550 5.422
267 HA PHE 39 HA PHE 39 4.712 7.176 5.042
268 HB2 PHE 39 HB2 PHE 39 2.183 6.983 3.379
269 HB3 PHE 39 HB1 PHE 39 3.571 7.987 3.006
270 HD1 PHE 39 HD1 PHE 39 5.671 6.944 2.316
271 HD2 PHE 39 HD2 PHE 39 2.123 4.702 2.860
272 HE1 PHE 39 HE1 PHE 39 6.644 5.129 0.961
273 HE2 PHE 39 HE2 PHE 39 3.084 2.868 1.478
274 HZ PHE 39 HZ PHE 39 5.340 3.088 0.548
275 HA CYS 40 HA CYS 40 1.400 9.923 6.779
276 HB2 CYS 40 HB2 CYS 40 1.510 10.701 4.403
277 HB3 CYS 40 HB1 CYS 40 0.001 9.848 4.100
278 HN1 NH2 41 H1 CYS 40 0.203 9.074 8.382
279 HN2 NH2 41 H2 CYS 40 -1.332 8.312 8.189
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 -4.059 17.511 0.889
2 H2 GLU 1 HT2 GLU 1 -2.667 17.795 -0.032
3 H3 GLU 1 HT3 GLU 1 -2.547 17.341 1.596
4 HA GLU 1 HA GLU 1 -3.622 15.658 -0.557
5 HB2 GLU 1 HB2 GLU 1 -1.162 15.958 -0.629
6 HB3 GLU 1 HB1 GLU 1 -1.068 15.474 1.060
7 HG2 GLU 1 HG2 GLU 1 -0.400 13.635 -0.280
8 HG3 GLU 1 HG1 GLU 1 -1.983 13.260 0.396
9 H HIS 2 H HIS 2 -5.338 14.615 0.442
10 HA HIS 2 HA HIS 2 -4.993 13.924 3.222
11 HB2 HIS 2 HB2 HIS 2 -7.330 13.087 3.207
12 HB3 HIS 2 HB1 HIS 2 -7.240 14.737 2.631
13 HD1 HIS 2 HD1 HIS 2 -8.280 11.289 1.600
14 HD2 HIS 2 HD2 HIS 2 -7.920 15.073 -0.079
15 HE1 HIS 2 HE1 HIS 2 -9.559 11.223 -0.560
16 H CYS 3 H CYS 3 -4.113 12.164 3.853
17 HA CYS 3 HA CYS 3 -3.410 10.197 1.886
18 HB2 CYS 3 HB2 CYS 3 -2.095 9.195 3.757
19 HB3 CYS 3 HB1 CYS 3 -1.678 10.871 3.424
20 H ALA 4 H ALA 4 -4.799 8.630 1.390
21 HA ALA 4 HA ALA 4 -6.139 7.224 3.553
22 HB1 ALA 4 HB1 ALA 4 -7.757 8.903 2.793
23 HB2 ALA 4 HB2 ALA 4 -8.283 7.273 2.372
24 HB3 ALA 4 HB3 ALA 4 -7.581 8.320 1.138
25 H ASP 5 H ASP 5 -6.142 5.089 3.209
26 HA ASP 5 HA ASP 5 -4.817 3.980 0.948
27 HB2 ASP 5 HB2 ASP 5 -6.682 2.513 2.849
28 HB3 ASP 5 HB1 ASP 5 -5.536 1.772 1.753
29 H GLU 6 H GLU 6 -5.639 2.771 -0.742
30 HA GLU 6 HA GLU 6 -7.887 3.877 -1.998
31 HB2 GLU 6 HB2 GLU 6 -5.944 3.081 -3.216
32 HB3 GLU 6 HB1 GLU 6 -6.203 1.449 -2.643
33 HG2 GLU 6 HG2 GLU 6 -6.887 1.749 -4.945
34 HG3 GLU 6 HG1 GLU 6 -8.250 1.317 -3.907
35 H LYS 7 H LYS 7 -9.864 2.930 -2.516
36 HA LYS 7 HA LYS 7 -10.854 1.241 -0.370
37 HB2 LYS 7 HB2 LYS 7 -13.081 1.856 -1.071
38 HB3 LYS 7 HB1 LYS 7 -12.081 3.288 -0.912
39 HG2 LYS 7 HG2 LYS 7 -11.831 3.401 -3.331
40 HG3 LYS 7 HG1 LYS 7 -12.786 1.928 -3.506
41 HD2 LYS 7 HD2 LYS 7 -14.332 3.666 -3.897
42 HD3 LYS 7 HD1 LYS 7 -14.587 3.142 -2.232
43 HE2 LYS 7 HE2 LYS 7 -14.640 5.569 -2.351
44 HE3 LYS 7 HE1 LYS 7 -13.246 5.034 -1.416
45 HZ1 LYS 7 HZ1 LYS 7 -13.198 5.914 -4.256
46 HZ2 LYS 7 HZ2 LYS 7 -11.854 5.434 -3.384
47 HZ3 LYS 7 HZ3 LYS 7 -12.677 6.830 -2.957
48 H ASN 8 H ASN 8 -10.143 1.001 -3.657
49 HA ASN 8 HA ASN 8 -11.543 -1.580 -3.846
50 HB2 ASN 8 HB2 ASN 8 -11.148 -1.565 -6.277
51 HB3 ASN 8 HB1 ASN 8 -11.966 -0.103 -5.764
52 HD21 ASN 8 HD21 ASN 8 -10.983 1.845 -6.145
53 HD22 ASN 8 HD22 ASN 8 -9.489 2.012 -6.989
54 H PHE 9 H PHE 9 -8.792 -0.712 -2.691
55 HA PHE 9 HA PHE 9 -7.212 -3.010 -3.731
56 HB2 PHE 9 HB2 PHE 9 -6.433 -0.595 -4.211
57 HB3 PHE 9 HB1 PHE 9 -6.170 -0.517 -2.468
58 HD1 PHE 9 HD1 PHE 9 -5.331 -2.425 -5.469
59 HD2 PHE 9 HD2 PHE 9 -4.232 -1.334 -1.532
60 HE1 PHE 9 HE1 PHE 9 -3.207 -3.484 -5.802
61 HE2 PHE 9 HE2 PHE 9 -2.055 -2.396 -1.837
62 HZ PHE 9 HZ PHE 9 -1.504 -3.469 -3.972
63 H ASP 10 H ASP 10 -6.424 -4.363 -2.087
64 HA ASP 10 HA ASP 10 -7.324 -3.503 0.542
65 HB2 ASP 10 HB2 ASP 10 -8.236 -5.701 -0.302
66 HB3 ASP 10 HB1 ASP 10 -6.592 -6.338 -0.165
67 H CYS 11 H CYS 11 -5.883 -2.590 1.591
68 HA CYS 11 HA CYS 11 -3.128 -3.004 1.084
69 HB2 CYS 11 HB2 CYS 11 -4.537 -1.227 3.062
70 HB3 CYS 11 HB1 CYS 11 -2.804 -1.244 2.745
71 H ARG 12 H ARG 12 -5.360 -4.269 3.374
72 HA ARG 12 HA ARG 12 -3.409 -4.975 5.332
73 HB2 ARG 12 HB2 ARG 12 -6.043 -6.335 4.760
74 HB3 ARG 12 HB1 ARG 12 -5.073 -6.558 6.205
75 HG2 ARG 12 HG2 ARG 12 -6.653 -4.152 5.356
76 HG3 ARG 12 HG1 ARG 12 -6.862 -5.161 6.775
77 HD2 ARG 12 HD2 ARG 12 -4.589 -3.247 6.226
78 HD3 ARG 12 HD1 ARG 12 -5.850 -3.071 7.439
79 HE ARG 12 HE ARG 12 -4.393 -5.468 7.830
80 HH11 ARG 12 HH11 ARG 12 -4.217 -1.978 8.372
81 HH12 ARG 12 HH12 ARG 12 -3.060 -2.072 9.610
82 HH21 ARG 12 HH21 ARG 12 -2.766 -5.614 9.463
83 HH22 ARG 12 HH22 ARG 12 -2.183 -4.229 10.245
84 H ARG 13 H ARG 13 -4.930 -6.644 2.685
85 HA ARG 13 HA ARG 13 -3.599 -9.094 2.717
86 HB2 ARG 13 HB2 ARG 13 -5.488 -8.460 1.254
87 HB3 ARG 13 HB1 ARG 13 -4.390 -7.461 0.324
88 HG2 ARG 13 HG2 ARG 13 -3.120 -9.431 -0.328
89 HG3 ARG 13 HG1 ARG 13 -4.202 -10.447 0.631
90 HD2 ARG 13 HD2 ARG 13 -4.958 -8.732 -1.716
91 HD3 ARG 13 HD1 ARG 13 -4.887 -10.499 -1.674
92 HE ARG 13 HE ARG 13 -6.562 -10.051 0.287
93 HH11 ARG 13 HH11 ARG 13 -6.513 -8.530 -2.920
94 HH12 ARG 13 HH12 ARG 13 -8.202 -8.344 -3.004
95 HH21 ARG 13 HH21 ARG 13 -8.885 -9.737 0.167
96 HH22 ARG 13 HH22 ARG 13 -9.593 -9.044 -1.210
97 H SER 14 H SER 14 -2.745 -6.128 1.031
98 HA SER 14 HA SER 14 -0.335 -6.968 -0.097
99 HB2 SER 14 HB2 SER 14 -1.131 -4.180 0.769
100 HB3 SER 14 HB1 SER 14 0.106 -4.581 -0.425
101 HG SER 14 HG SER 14 -2.694 -4.754 -0.620
102 H LEU 15 H LEU 15 -1.035 -5.674 3.095
103 HA LEU 15 HA LEU 15 1.673 -5.404 3.881
104 HB2 LEU 15 HB2 LEU 15 -0.244 -4.167 4.879
105 HB3 LEU 15 HB1 LEU 15 -0.802 -5.663 5.581
106 HG LEU 15 HG LEU 15 1.203 -5.775 6.993
107 HD11 LEU 15 HD11 LEU 15 1.889 -3.114 5.753
108 HD12 LEU 15 HD12 LEU 15 2.751 -4.629 5.495
109 HD13 LEU 15 HD13 LEU 15 2.742 -3.882 7.095
110 HD21 LEU 15 HD21 LEU 15 -0.792 -4.633 7.819
111 HD22 LEU 15 HD22 LEU 15 -0.207 -3.119 7.120
112 HD23 LEU 15 HD23 LEU 15 0.682 -3.883 8.437
113 H ARG 16 H ARG 16 -0.759 -7.889 4.265
114 HA ARG 16 HA ARG 16 0.743 -9.633 5.922
115 HB2 ARG 16 HB2 ARG 16 -1.516 -10.258 4.032
116 HB3 ARG 16 HB1 ARG 16 -0.869 -11.372 5.222
117 HG2 ARG 16 HG2 ARG 16 -1.604 -9.948 7.016
118 HG3 ARG 16 HG1 ARG 16 -2.146 -8.726 5.860
119 HD2 ARG 16 HD2 ARG 16 -3.716 -10.356 4.906
120 HD3 ARG 16 HD1 ARG 16 -3.204 -11.534 6.110
121 HE ARG 16 HE ARG 16 -3.976 -9.462 7.616
122 HH11 ARG 16 HH11 ARG 16 -5.578 -11.084 4.904
123 HH12 ARG 16 HH12 ARG 16 -7.143 -10.885 5.509
124 HH21 ARG 16 HH21 ARG 16 -6.161 -9.179 8.453
125 HH22 ARG 16 HH22 ARG 16 -7.485 -9.767 7.572
126 H ASN 17 H ASN 17 0.622 -9.249 2.449
127 HA ASN 17 HA ASN 17 2.075 -11.731 2.042
128 HB2 ASN 17 HB2 ASN 17 0.907 -9.764 0.119
129 HB3 ASN 17 HB1 ASN 17 2.005 -11.033 -0.410
130 HD21 ASN 17 HD21 ASN 17 -1.077 -10.302 0.900
131 HD22 ASN 17 HD22 ASN 17 -1.800 -11.854 0.628
132 H GLY 18 H GLY 18 2.806 -8.414 2.240
133 HA2 GLY 18 HA2 GLY 18 5.169 -7.944 2.753
134 HA3 GLY 18 HA1 GLY 18 5.574 -9.175 1.581
135 H ASP 19 H ASP 19 3.041 -7.417 0.378
136 HA ASP 19 HA ASP 19 4.673 -6.233 -1.671
137 HB2 ASP 19 HB2 ASP 19 1.728 -5.934 -1.047
138 HB3 ASP 19 HB1 ASP 19 2.505 -5.062 -2.357
139 H CYS 20 H CYS 20 3.199 -5.214 1.226
140 HA CYS 20 HA CYS 20 3.564 -2.399 0.832
141 HB2 CYS 20 HB2 CYS 20 1.714 -3.301 2.157
142 HB3 CYS 20 HB1 CYS 20 2.874 -4.064 3.230
143 H ASP 21 H ASP 21 5.569 -4.959 1.697
144 HA ASP 21 HA ASP 21 7.433 -3.254 3.228
145 HB2 ASP 21 HB2 ASP 21 6.753 -5.350 4.286
146 HB3 ASP 21 HB1 ASP 21 7.287 -6.251 2.879
147 H ASN 22 H ASN 22 6.831 -4.410 0.194
148 HA ASN 22 HA ASN 22 9.562 -4.986 -0.574
149 HB2 ASN 22 HB2 ASN 22 7.676 -6.336 -1.441
150 HB3 ASN 22 HB1 ASN 22 7.039 -4.902 -2.227
151 HD21 ASN 22 HD21 ASN 22 9.502 -7.308 -2.255
152 HD22 ASN 22 HD22 ASN 22 10.121 -6.943 -3.818
153 H ASP 23 H ASP 23 10.887 -3.505 -1.315
154 HA ASP 23 HA ASP 23 10.197 -0.797 -1.347
155 HB2 ASP 23 HB2 ASP 23 12.475 -1.632 -0.878
156 HB3 ASP 23 HB1 ASP 23 12.656 -2.035 -2.584
157 H ASP 24 H ASP 24 10.528 -3.079 -3.996
158 HA ASP 24 HA ASP 24 10.344 -1.186 -6.118
159 HB2 ASP 24 HB2 ASP 24 9.595 -4.118 -6.072
160 HB3 ASP 24 HB1 ASP 24 9.519 -3.127 -7.517
161 H LYS 25 H LYS 25 7.997 -2.761 -4.144
162 HA LYS 25 HA LYS 25 5.797 -1.911 -5.831
163 HB2 LYS 25 HB2 LYS 25 5.818 -3.456 -3.235
164 HB3 LYS 25 HB1 LYS 25 4.366 -3.091 -4.158
165 HG2 LYS 25 HG2 LYS 25 6.710 -4.736 -5.086
166 HG3 LYS 25 HG1 LYS 25 5.195 -5.379 -4.456
167 HD2 LYS 25 HD2 LYS 25 5.363 -3.590 -6.879
168 HD3 LYS 25 HD1 LYS 25 5.439 -5.350 -6.914
169 HE2 LYS 25 HE2 LYS 25 3.143 -3.857 -5.652
170 HE3 LYS 25 HE1 LYS 25 3.148 -4.316 -7.348
171 HZ1 LYS 25 HZ1 LYS 25 1.996 -5.964 -6.073
172 HZ2 LYS 25 HZ2 LYS 25 3.266 -6.214 -5.023
173 HZ3 LYS 25 HZ3 LYS 25 3.419 -6.637 -6.641
174 H LEU 26 H LEU 26 7.605 -0.560 -3.340
175 HA LEU 26 HA LEU 26 5.620 0.624 -1.814
176 HB2 LEU 26 HB2 LEU 26 8.468 1.458 -2.208
177 HB3 LEU 26 HB1 LEU 26 7.376 2.351 -1.169
178 HG LEU 26 HG LEU 26 8.189 -0.536 -0.818
179 HD11 LEU 26 HD11 LEU 26 9.975 1.030 -0.279
180 HD12 LEU 26 HD12 LEU 26 9.328 0.285 1.182
181 HD13 LEU 26 HD13 LEU 26 8.876 1.935 0.760
182 HD21 LEU 26 HD21 LEU 26 5.915 -0.200 -0.036
183 HD22 LEU 26 HD22 LEU 26 6.415 1.232 0.861
184 HD23 LEU 26 HD23 LEU 26 7.008 -0.358 1.339
185 H LEU 27 H LEU 27 6.859 1.750 -4.896
186 HA LEU 27 HA LEU 27 5.923 4.332 -4.896
187 HB2 LEU 27 HB2 LEU 27 7.228 3.438 -6.695
188 HB3 LEU 27 HB1 LEU 27 6.000 2.219 -7.022
189 HG LEU 27 HG LEU 27 4.471 4.019 -7.476
190 HD11 LEU 27 HD11 LEU 27 5.568 5.918 -6.497
191 HD12 LEU 27 HD12 LEU 27 5.440 6.223 -8.229
192 HD13 LEU 27 HD13 LEU 27 6.974 5.701 -7.534
193 HD21 LEU 27 HD21 LEU 27 6.819 3.680 -9.314
194 HD22 LEU 27 HD22 LEU 27 5.252 4.351 -9.801
195 HD23 LEU 27 HD23 LEU 27 5.364 2.689 -9.210
196 H GLU 28 H GLU 28 4.331 1.329 -5.821
197 HA GLU 28 HA GLU 28 1.813 2.469 -6.368
198 HB2 GLU 28 HB2 GLU 28 2.600 -0.372 -5.723
199 HB3 GLU 28 HB1 GLU 28 1.005 0.107 -6.271
200 HG2 GLU 28 HG2 GLU 28 1.985 0.927 -8.359
201 HG3 GLU 28 HG1 GLU 28 3.570 0.384 -7.806
202 H MET 29 H MET 29 3.410 1.331 -3.537
203 HA MET 29 HA MET 29 0.996 1.018 -1.970
204 HB2 MET 29 HB2 MET 29 3.855 1.216 -1.014
205 HB3 MET 29 HB1 MET 29 2.479 0.767 -0.042
206 HG2 MET 29 HG2 MET 29 3.535 -0.835 -2.365
207 HG3 MET 29 HG1 MET 29 3.936 -1.135 -0.688
208 HE1 MET 29 HE1 MET 29 0.013 -2.253 -2.852
209 HE2 MET 29 HE2 MET 29 1.555 -1.875 -3.614
210 HE3 MET 29 3HE MET 29 0.583 -0.589 -2.910
211 H GLY 30 H GLY 30 3.146 3.594 -2.750
212 HA2 GLY 30 HA2 GLY 30 2.460 5.198 -0.511
213 HA3 GLY 30 HA1 GLY 30 3.234 5.807 -1.951
214 H TYR 31 H TYR 31 0.953 4.611 -3.550
215 HA TYR 31 HA TYR 31 -0.916 6.672 -2.796
216 HB2 TYR 31 HB2 TYR 31 -1.819 6.687 -5.058
217 HB3 TYR 31 HB1 TYR 31 -0.117 7.147 -4.914
218 HD1 TYR 31 HD1 TYR 31 -2.491 4.714 -6.172
219 HD2 TYR 31 HD2 TYR 31 1.603 5.818 -6.014
220 HE1 TYR 31 HE1 TYR 31 -2.034 3.245 -8.029
221 HE2 TYR 31 HE2 TYR 31 2.089 4.358 -7.860
222 HH TYR 31 HH TYR 31 -0.365 3.111 -9.826
223 H TYR 32 H TYR 32 -0.769 3.352 -3.551
224 HA TYR 32 HA TYR 32 -3.572 2.978 -3.241
225 HB2 TYR 32 HB2 TYR 32 -1.310 0.992 -3.235
226 HB3 TYR 32 HB1 TYR 32 -2.934 0.495 -2.830
227 HD1 TYR 32 HD1 TYR 32 -0.667 0.479 -5.330
228 HD2 TYR 32 HD2 TYR 32 -4.706 1.546 -4.663
229 HE1 TYR 32 HE1 TYR 32 -1.144 0.106 -7.715
230 HE2 TYR 32 HE2 TYR 32 -5.219 1.192 -7.021
231 HH TYR 32 HH TYR 32 -3.046 -0.426 -9.101
232 H CYS 33 H CYS 33 -0.820 2.709 -0.982
233 HA CYS 33 HA CYS 33 -2.778 2.367 1.180
234 HB2 CYS 33 HB2 CYS 33 -0.225 0.781 0.916
235 HB3 CYS 33 HB1 CYS 33 -1.456 0.635 2.153
236 HA PRO 34 HA PRO 34 0.757 5.498 1.974
237 HB2 PRO 34 HB2 PRO 34 -0.808 7.615 2.616
238 HB3 PRO 34 HB1 PRO 34 -0.201 7.285 0.986
239 HG2 PRO 34 HG2 PRO 34 -2.881 6.643 2.164
240 HG3 PRO 34 HG1 PRO 34 -2.503 7.342 0.583
241 HD2 PRO 34 HD2 PRO 34 -3.079 4.756 0.844
242 HD3 PRO 34 HD1 PRO 34 -1.841 5.307 -0.303
243 H VAL 35 H VAL 35 -2.230 4.641 3.504
244 HA VAL 35 HA VAL 35 -1.402 5.670 6.060
245 HB VAL 35 HB VAL 35 -3.921 4.178 5.334
246 HG11 VAL 35 HG11 VAL 35 -4.782 5.087 7.458
247 HG12 VAL 35 HG12 VAL 35 -3.186 5.772 7.783
248 HG13 VAL 35 3HG1 VAL 35 -3.393 4.023 7.708
249 HG21 VAL 35 HG21 VAL 35 -4.958 6.392 5.338
250 HG22 VAL 35 HG22 VAL 35 -3.652 6.259 4.143
251 HG23 VAL 35 HG23 VAL 35 -3.371 7.111 5.650
252 H THR 36 H THR 36 -2.408 2.536 4.741
253 HA THR 36 HA THR 36 -1.800 1.029 7.018
254 HB THR 36 HB THR 36 -1.903 0.136 4.131
255 HG1 THR 36 HG1 THR 36 -3.889 1.054 5.014
256 HG21 THR 36 HG21 THR 36 -0.735 -1.530 5.518
257 HG22 THR 36 HG22 THR 36 -2.323 -2.124 5.031
258 HG23 THR 36 HG23 THR 36 -2.072 -1.516 6.668
259 H CYS 37 H CYS 37 0.282 1.802 4.270
260 HA CYS 37 HA CYS 37 2.410 0.202 5.303
261 HB2 CYS 37 HB2 CYS 37 2.236 2.089 2.998
262 HB3 CYS 37 HB1 CYS 37 3.716 1.212 3.401
263 H GLY 38 H GLY 38 1.290 3.034 6.408
264 HA2 GLY 38 HA2 GLY 38 2.178 4.302 8.094
265 HA3 GLY 38 HA1 GLY 38 3.666 3.393 7.945
266 H PHE 39 H PHE 39 2.434 5.014 5.120
267 HA PHE 39 HA PHE 39 4.736 6.736 5.049
268 HB2 PHE 39 HB2 PHE 39 2.177 6.849 3.410
269 HB3 PHE 39 HB1 PHE 39 3.608 7.815 3.100
270 HD1 PHE 39 HD1 PHE 39 5.563 6.820 2.094
271 HD2 PHE 39 HD2 PHE 39 2.068 4.551 2.832
272 HE1 PHE 39 HE1 PHE 39 6.411 5.078 0.587
273 HE2 PHE 39 HE2 PHE 39 2.918 2.782 1.298
274 HZ PHE 39 HZ PHE 39 5.083 3.055 0.193
275 HA CYS 40 HA CYS 40 1.723 9.531 7.068
276 HB2 CYS 40 HB2 CYS 40 0.797 10.086 4.851
277 HB3 CYS 40 HB1 CYS 40 -0.507 8.926 5.134
278 HN1 NH2 41 H1 CYS 40 1.585 8.365 8.964
279 HN2 NH2 41 H2 CYS 40 0.187 7.463 9.437
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 -1.585 15.630 -1.046
2 H2 GLU 1 HT2 GLU 1 -2.378 14.689 -2.199
3 H3 GLU 1 HT3 GLU 1 -0.724 14.884 -2.295
4 HA GLU 1 HA GLU 1 -1.333 12.730 -1.407
5 HB2 GLU 1 HB2 GLU 1 0.780 13.809 -0.637
6 HB3 GLU 1 HB1 GLU 1 -0.137 14.538 0.680
7 HG2 GLU 1 HG2 GLU 1 -0.631 12.374 1.602
8 HG3 GLU 1 HG1 GLU 1 0.187 11.589 0.253
9 H HIS 2 H HIS 2 -3.309 12.037 -0.898
10 HA HIS 2 HA HIS 2 -4.387 13.128 1.565
11 HB2 HIS 2 HB2 HIS 2 -6.603 12.253 0.944
12 HB3 HIS 2 HB1 HIS 2 -6.000 13.336 -0.293
13 HD1 HIS 2 HD1 HIS 2 -7.850 10.363 -0.045
14 HD2 HIS 2 HD2 HIS 2 -4.693 11.577 -2.453
15 HE1 HIS 2 HE1 HIS 2 -7.909 8.879 -2.078
16 H CYS 3 H CYS 3 -4.038 11.973 3.285
17 HA CYS 3 HA CYS 3 -3.058 9.315 2.940
18 HB2 CYS 3 HB2 CYS 3 -3.541 10.825 5.500
19 HB3 CYS 3 HB1 CYS 3 -2.699 9.288 5.341
20 H ALA 4 H ALA 4 -4.758 8.347 2.045
21 HA ALA 4 HA ALA 4 -6.515 7.076 3.939
22 HB1 ALA 4 HB1 ALA 4 -7.550 8.507 1.478
23 HB2 ALA 4 HB2 ALA 4 -7.872 8.965 3.150
24 HB3 ALA 4 HB3 ALA 4 -8.500 7.443 2.514
25 H ASP 5 H ASP 5 -5.975 5.039 3.573
26 HA ASP 5 HA ASP 5 -4.927 3.922 1.205
27 HB2 ASP 5 HB2 ASP 5 -6.651 2.463 3.210
28 HB3 ASP 5 HB1 ASP 5 -5.431 1.767 2.156
29 H GLU 6 H GLU 6 -5.875 2.787 -0.479
30 HA GLU 6 HA GLU 6 -8.405 3.742 -1.333
31 HB2 GLU 6 HB2 GLU 6 -6.557 3.380 -2.877
32 HB3 GLU 6 HB1 GLU 6 -6.508 1.682 -2.457
33 HG2 GLU 6 HG2 GLU 6 -7.510 2.058 -4.621
34 HG3 GLU 6 HG1 GLU 6 -8.656 1.333 -3.495
35 H LYS 7 H LYS 7 -10.306 2.677 -1.561
36 HA LYS 7 HA LYS 7 -10.801 0.429 0.188
37 HB2 LYS 7 HB2 LYS 7 -13.186 0.851 -0.498
38 HB3 LYS 7 HB1 LYS 7 -12.395 2.151 0.380
39 HG2 LYS 7 HG2 LYS 7 -12.102 3.412 -1.606
40 HG3 LYS 7 HG1 LYS 7 -12.619 2.063 -2.613
41 HD2 LYS 7 HD2 LYS 7 -14.334 3.320 -0.538
42 HD3 LYS 7 HD1 LYS 7 -14.321 3.899 -2.218
43 HE2 LYS 7 HE2 LYS 7 -14.865 1.542 -2.893
44 HE3 LYS 7 HE1 LYS 7 -15.080 1.165 -1.190
45 HZ1 LYS 7 HZ1 LYS 7 -16.657 3.150 -2.730
46 HZ2 LYS 7 HZ2 LYS 7 -16.861 2.822 -1.094
47 HZ3 LYS 7 HZ3 LYS 7 -17.181 1.627 -2.247
48 H ASN 8 H ASN 8 -10.534 1.161 -3.086
49 HA ASN 8 HA ASN 8 -11.722 -1.338 -4.031
50 HB2 ASN 8 HB2 ASN 8 -10.464 0.953 -5.552
51 HB3 ASN 8 HB1 ASN 8 -11.151 -0.477 -6.315
52 HD21 ASN 8 HD21 ASN 8 -13.384 -0.788 -6.220
53 HD22 ASN 8 HD22 ASN 8 -14.468 0.502 -5.888
54 H PHE 9 H PHE 9 -9.184 -0.972 -2.491
55 HA PHE 9 HA PHE 9 -7.531 -2.908 -3.923
56 HB2 PHE 9 HB2 PHE 9 -6.774 -0.465 -4.224
57 HB3 PHE 9 HB1 PHE 9 -6.514 -0.469 -2.484
58 HD1 PHE 9 HD1 PHE 9 -4.454 -1.045 -1.696
59 HD2 PHE 9 HD2 PHE 9 -5.717 -2.416 -5.492
60 HE1 PHE 9 HE1 PHE 9 -2.243 -2.020 -2.071
61 HE2 PHE 9 HE2 PHE 9 -3.564 -3.396 -5.890
62 HZ PHE 9 HZ PHE 9 -1.764 -3.193 -4.166
63 H ASP 10 H ASP 10 -6.708 -4.357 -2.295
64 HA ASP 10 HA ASP 10 -7.697 -3.625 0.355
65 HB2 ASP 10 HB2 ASP 10 -8.622 -5.773 -0.484
66 HB3 ASP 10 HB1 ASP 10 -6.984 -6.432 -0.521
67 H CYS 11 H CYS 11 -6.293 -2.631 1.407
68 HA CYS 11 HA CYS 11 -3.515 -2.964 1.078
69 HB2 CYS 11 HB2 CYS 11 -5.090 -1.446 3.130
70 HB3 CYS 11 HB1 CYS 11 -3.339 -1.338 2.931
71 H ARG 12 H ARG 12 -5.707 -4.720 2.987
72 HA ARG 12 HA ARG 12 -3.907 -5.375 5.137
73 HB2 ARG 12 HB2 ARG 12 -6.288 -6.969 4.119
74 HB3 ARG 12 HB1 ARG 12 -5.413 -7.296 5.597
75 HG2 ARG 12 HG2 ARG 12 -7.439 -6.281 6.184
76 HG3 ARG 12 HG1 ARG 12 -6.175 -5.060 6.413
77 HD2 ARG 12 HD2 ARG 12 -6.794 -3.996 4.346
78 HD3 ARG 12 HD1 ARG 12 -7.949 -5.277 3.989
79 HE ARG 12 HE ARG 12 -8.330 -3.769 6.428
80 HH11 ARG 12 HH11 ARG 12 -9.326 -4.408 3.077
81 HH12 ARG 12 HH12 ARG 12 -10.766 -3.521 3.188
82 HH21 ARG 12 HH21 ARG 12 -10.375 -2.549 6.570
83 HH22 ARG 12 HH22 ARG 12 -11.379 -2.453 5.202
84 H ARG 13 H ARG 13 -5.121 -6.942 2.307
85 HA ARG 13 HA ARG 13 -3.551 -9.201 2.040
86 HB2 ARG 13 HB2 ARG 13 -5.375 -8.594 0.527
87 HB3 ARG 13 HB1 ARG 13 -4.401 -7.291 -0.131
88 HG2 ARG 13 HG2 ARG 13 -2.770 -8.972 -0.927
89 HG3 ARG 13 HG1 ARG 13 -3.861 -10.240 -0.359
90 HD2 ARG 13 HD2 ARG 13 -4.520 -8.121 -2.381
91 HD3 ARG 13 HD1 ARG 13 -4.130 -9.806 -2.748
92 HE ARG 13 HE ARG 13 -6.185 -9.984 -1.016
93 HH11 ARG 13 HH11 ARG 13 -5.789 -8.279 -4.087
94 HH12 ARG 13 HH12 ARG 13 -7.421 -8.400 -4.545
95 HH21 ARG 13 HH21 ARG 13 -8.448 -10.128 -1.622
96 HH22 ARG 13 HH22 ARG 13 -8.979 -9.468 -3.102
97 H SER 14 H SER 14 -2.804 -5.980 0.715
98 HA SER 14 HA SER 14 -0.305 -6.468 -0.332
99 HB2 SER 14 HB2 SER 14 -1.186 -3.917 1.021
100 HB3 SER 14 HB1 SER 14 -0.015 -4.084 -0.291
101 HG SER 14 HG SER 14 -2.231 -3.451 -0.855
102 H LEU 15 H LEU 15 -1.172 -5.670 3.017
103 HA LEU 15 HA LEU 15 1.562 -5.411 3.848
104 HB2 LEU 15 HB2 LEU 15 -0.351 -4.152 4.851
105 HB3 LEU 15 HB1 LEU 15 -0.908 -5.652 5.547
106 HG LEU 15 HG LEU 15 1.162 -5.818 6.875
107 HD11 LEU 15 HD11 LEU 15 1.792 -3.118 5.697
108 HD12 LEU 15 HD12 LEU 15 2.662 -4.623 5.396
109 HD13 LEU 15 HD13 LEU 15 2.680 -3.901 7.007
110 HD21 LEU 15 HD21 LEU 15 0.664 -4.002 8.425
111 HD22 LEU 15 HD22 LEU 15 -0.820 -4.742 7.818
112 HD23 LEU 15 HD23 LEU 15 -0.277 -3.189 7.176
113 H ARG 16 H ARG 16 -0.918 -7.841 4.041
114 HA ARG 16 HA ARG 16 0.442 -9.703 5.684
115 HB2 ARG 16 HB2 ARG 16 -1.643 -10.150 3.552
116 HB3 ARG 16 HB1 ARG 16 -1.085 -11.385 4.665
117 HG2 ARG 16 HG2 ARG 16 -2.001 -10.168 6.536
118 HG3 ARG 16 HG1 ARG 16 -2.447 -8.828 5.475
119 HD2 ARG 16 HD2 ARG 16 -3.934 -10.293 4.230
120 HD3 ARG 16 HD1 ARG 16 -3.487 -11.649 5.259
121 HE ARG 16 HE ARG 16 -4.390 -9.856 7.025
122 HH11 ARG 16 HH11 ARG 16 -5.793 -11.000 3.974
123 HH12 ARG 16 HH12 ARG 16 -7.384 -10.911 4.495
124 HH21 ARG 16 HH21 ARG 16 -6.644 -9.719 7.752
125 HH22 ARG 16 HH22 ARG 16 -7.884 -10.151 6.664
126 H ASN 17 H ASN 17 0.401 -9.169 2.251
127 HA ASN 17 HA ASN 17 2.036 -11.446 1.610
128 HB2 ASN 17 HB2 ASN 17 1.259 -9.012 0.028
129 HB3 ASN 17 HB1 ASN 17 2.305 -10.275 -0.607
130 HD21 ASN 17 HD21 ASN 17 -0.301 -9.360 -1.420
131 HD22 ASN 17 HD22 ASN 17 -1.327 -10.760 -1.420
132 H GLY 18 H GLY 18 2.560 -8.035 1.926
133 HA2 GLY 18 HA2 GLY 18 4.616 -7.362 3.103
134 HA3 GLY 18 HA1 GLY 18 5.437 -8.655 2.238
135 H ASP 19 H ASP 19 3.241 -7.197 0.236
136 HA ASP 19 HA ASP 19 5.246 -5.980 -1.395
137 HB2 ASP 19 HB2 ASP 19 2.221 -5.703 -1.482
138 HB3 ASP 19 HB1 ASP 19 3.306 -5.062 -2.705
139 H CYS 20 H CYS 20 3.075 -5.001 1.015
140 HA CYS 20 HA CYS 20 3.177 -2.183 0.759
141 HB2 CYS 20 HB2 CYS 20 1.406 -3.522 1.874
142 HB3 CYS 20 HB1 CYS 20 2.576 -3.944 3.109
143 H ASP 21 H ASP 21 5.536 -4.397 1.805
144 HA ASP 21 HA ASP 21 6.934 -2.339 3.397
145 HB2 ASP 21 HB2 ASP 21 6.301 -4.332 4.729
146 HB3 ASP 21 HB1 ASP 21 7.160 -5.360 3.595
147 H ASN 22 H ASN 22 6.874 -3.901 0.500
148 HA ASN 22 HA ASN 22 9.740 -4.260 0.161
149 HB2 ASN 22 HB2 ASN 22 8.317 -6.007 -0.746
150 HB3 ASN 22 HB1 ASN 22 7.429 -4.830 -1.697
151 HD21 ASN 22 HD21 ASN 22 7.905 -5.942 -3.540
152 HD22 ASN 22 HD22 ASN 22 9.456 -5.806 -4.325
153 H ASP 23 H ASP 23 11.027 -2.940 -0.837
154 HA ASP 23 HA ASP 23 10.489 -0.272 -1.210
155 HB2 ASP 23 HB2 ASP 23 12.680 -0.042 -2.226
156 HB3 ASP 23 HB1 ASP 23 12.755 -1.145 -0.859
157 H ASP 24 H ASP 24 10.550 -2.757 -3.764
158 HA ASP 24 HA ASP 24 10.237 -0.750 -5.781
159 HB2 ASP 24 HB2 ASP 24 10.045 -2.490 -7.458
160 HB3 ASP 24 HB1 ASP 24 11.359 -2.876 -6.365
161 H LYS 25 H LYS 25 8.026 -2.144 -3.706
162 HA LYS 25 HA LYS 25 5.807 -1.655 -5.555
163 HB2 LYS 25 HB2 LYS 25 5.786 -2.854 -2.782
164 HB3 LYS 25 HB1 LYS 25 4.412 -2.708 -3.861
165 HG2 LYS 25 HG2 LYS 25 6.847 -4.382 -4.328
166 HG3 LYS 25 HG1 LYS 25 5.254 -4.950 -3.818
167 HD2 LYS 25 HD2 LYS 25 4.362 -3.869 -5.907
168 HD3 LYS 25 HD1 LYS 25 6.034 -3.685 -6.416
169 HE2 LYS 25 HE2 LYS 25 4.705 -6.264 -5.700
170 HE3 LYS 25 HE1 LYS 25 5.033 -5.727 -7.346
171 HZ1 LYS 25 HZ1 LYS 25 6.954 -6.568 -5.258
172 HZ2 LYS 25 HZ2 LYS 25 7.454 -5.628 -6.541
173 HZ3 LYS 25 HZ3 LYS 25 6.804 -7.168 -6.832
174 H LEU 26 H LEU 26 7.578 -0.115 -3.177
175 HA LEU 26 HA LEU 26 5.609 0.977 -1.578
176 HB2 LEU 26 HB2 LEU 26 8.375 1.966 -2.085
177 HB3 LEU 26 HB1 LEU 26 7.299 2.705 -0.916
178 HG LEU 26 HG LEU 26 8.319 -0.133 -0.855
179 HD11 LEU 26 HD11 LEU 26 9.992 1.569 -0.309
180 HD12 LEU 26 HD12 LEU 26 9.566 0.562 1.070
181 HD13 LEU 26 HD13 LEU 26 8.918 2.200 0.943
182 HD21 LEU 26 HD21 LEU 26 6.080 -0.036 0.074
183 HD22 LEU 26 HD22 LEU 26 6.525 1.351 1.063
184 HD23 LEU 26 HD23 LEU 26 7.257 -0.224 1.375
185 H LEU 27 H LEU 27 6.825 2.407 -4.630
186 HA LEU 27 HA LEU 27 5.668 4.898 -4.217
187 HB2 LEU 27 HB2 LEU 27 7.273 4.512 -5.953
188 HB3 LEU 27 HB1 LEU 27 6.226 3.311 -6.696
189 HG LEU 27 HG LEU 27 4.584 5.105 -6.896
190 HD11 LEU 27 HD11 LEU 27 7.029 6.844 -6.527
191 HD12 LEU 27 HD12 LEU 27 5.573 6.829 -5.531
192 HD13 LEU 27 HD13 LEU 27 5.498 7.418 -7.190
193 HD21 LEU 27 HD21 LEU 27 7.059 5.110 -8.581
194 HD22 LEU 27 HD22 LEU 27 5.502 5.817 -9.063
195 HD23 LEU 27 HD23 LEU 27 5.629 4.085 -8.722
196 H GLU 28 H GLU 28 4.491 1.921 -5.672
197 HA GLU 28 HA GLU 28 1.946 2.874 -6.457
198 HB2 GLU 28 HB2 GLU 28 2.966 0.825 -7.381
199 HB3 GLU 28 HB1 GLU 28 2.865 0.063 -5.803
200 HG2 GLU 28 HG2 GLU 28 0.440 0.187 -5.897
201 HG3 GLU 28 HG1 GLU 28 0.532 0.942 -7.492
202 H MET 29 H MET 29 3.304 1.601 -3.576
203 HA MET 29 HA MET 29 0.783 1.145 -2.204
204 HB2 MET 29 HB2 MET 29 3.586 1.301 -1.080
205 HB3 MET 29 HB1 MET 29 2.166 0.838 -0.178
206 HG2 MET 29 HG2 MET 29 3.299 -0.705 -2.505
207 HG3 MET 29 HG1 MET 29 3.661 -1.046 -0.827
208 HE1 MET 29 HE1 MET 29 -0.171 -2.132 -3.143
209 HE2 MET 29 HE2 MET 29 1.402 -1.742 -3.831
210 HE3 MET 29 3HE MET 29 0.397 -0.467 -3.153
211 H GLY 30 H GLY 30 2.954 3.735 -2.693
212 HA2 GLY 30 HA2 GLY 30 2.355 5.329 -0.487
213 HA3 GLY 30 HA1 GLY 30 2.929 5.917 -2.039
214 H TYR 31 H TYR 31 0.799 5.067 -3.610
215 HA TYR 31 HA TYR 31 -1.125 6.963 -2.626
216 HB2 TYR 31 HB2 TYR 31 -2.120 6.920 -4.945
217 HB3 TYR 31 HB1 TYR 31 -0.496 7.566 -4.728
218 HD1 TYR 31 HD1 TYR 31 1.441 6.458 -5.704
219 HD2 TYR 31 HD2 TYR 31 -2.488 4.896 -6.193
220 HE1 TYR 31 HE1 TYR 31 2.226 5.098 -7.508
221 HE2 TYR 31 HE2 TYR 31 -1.695 3.499 -8.015
222 HH TYR 31 HH TYR 31 1.614 3.020 -8.693
223 H TYR 32 H TYR 32 -0.984 3.666 -3.509
224 HA TYR 32 HA TYR 32 -3.788 3.268 -3.140
225 HB2 TYR 32 HB2 TYR 32 -1.554 1.337 -3.567
226 HB3 TYR 32 HB1 TYR 32 -3.077 0.729 -2.947
227 HD1 TYR 32 HD1 TYR 32 -1.292 1.245 -5.862
228 HD2 TYR 32 HD2 TYR 32 -5.178 1.760 -4.247
229 HE1 TYR 32 HE1 TYR 32 -2.242 1.215 -8.134
230 HE2 TYR 32 HE2 TYR 32 -6.135 1.733 -6.496
231 HH TYR 32 HH TYR 32 -5.413 2.211 -8.722
232 H CYS 33 H CYS 33 -1.063 2.756 -0.922
233 HA CYS 33 HA CYS 33 -3.050 2.454 1.205
234 HB2 CYS 33 HB2 CYS 33 -0.662 0.648 0.809
235 HB3 CYS 33 HB1 CYS 33 -1.797 0.594 2.153
236 HA PRO 34 HA PRO 34 0.683 5.324 1.974
237 HB2 PRO 34 HB2 PRO 34 -0.751 7.458 2.874
238 HB3 PRO 34 HB1 PRO 34 -0.270 7.218 1.190
239 HG2 PRO 34 HG2 PRO 34 -2.888 6.586 2.510
240 HG3 PRO 34 HG1 PRO 34 -2.602 7.370 0.950
241 HD2 PRO 34 HD2 PRO 34 -3.254 4.796 1.094
242 HD3 PRO 34 HD1 PRO 34 -2.065 5.362 -0.097
243 H VAL 35 H VAL 35 -2.204 4.552 3.746
244 HA VAL 35 HA VAL 35 -1.009 5.440 6.189
245 HB VAL 35 HB VAL 35 -3.741 4.252 5.766
246 HG11 VAL 35 HG11 VAL 35 -2.560 5.675 8.156
247 HG12 VAL 35 HG12 VAL 35 -2.932 3.955 8.068
248 HG13 VAL 35 3HG1 VAL 35 -4.238 5.143 8.000
249 HG21 VAL 35 HG21 VAL 35 -2.769 7.073 6.062
250 HG22 VAL 35 HG22 VAL 35 -4.471 6.598 5.946
251 HG23 VAL 35 HG23 VAL 35 -3.358 6.320 4.591
252 H THR 36 H THR 36 -2.183 2.432 4.786
253 HA THR 36 HA THR 36 -1.551 0.756 6.963
254 HB THR 36 HB THR 36 -1.647 -0.046 4.048
255 HG1 THR 36 HG1 THR 36 -3.501 1.100 4.596
256 HG21 THR 36 HG21 THR 36 -0.836 -1.788 5.576
257 HG22 THR 36 HG22 THR 36 -2.434 -2.201 4.950
258 HG23 THR 36 HG23 THR 36 -2.263 -1.573 6.589
259 H CYS 37 H CYS 37 0.339 1.735 4.136
260 HA CYS 37 HA CYS 37 2.520 0.037 4.899
261 HB2 CYS 37 HB2 CYS 37 2.233 2.050 2.703
262 HB3 CYS 37 HB1 CYS 37 3.643 1.001 2.902
263 H GLY 38 H GLY 38 1.537 2.882 6.133
264 HA2 GLY 38 HA2 GLY 38 2.615 4.006 7.839
265 HA3 GLY 38 HA1 GLY 38 4.069 3.118 7.452
266 H PHE 39 H PHE 39 2.602 4.910 4.876
267 HA PHE 39 HA PHE 39 4.846 6.712 4.758
268 HB2 PHE 39 HB2 PHE 39 2.194 6.797 3.276
269 HB3 PHE 39 HB1 PHE 39 3.570 7.836 2.934
270 HD1 PHE 39 HD1 PHE 39 5.493 6.998 1.779
271 HD2 PHE 39 HD2 PHE 39 2.206 4.491 2.696
272 HE1 PHE 39 HE1 PHE 39 6.378 5.322 0.221
273 HE2 PHE 39 HE2 PHE 39 3.096 2.778 1.106
274 HZ PHE 39 HZ PHE 39 5.172 3.207 -0.109
275 HA CYS 40 HA CYS 40 1.880 9.436 6.886
276 HB2 CYS 40 HB2 CYS 40 -0.674 8.008 6.128
277 HB3 CYS 40 HB1 CYS 40 -0.557 9.623 6.819
278 HN1 NH2 41 H1 CYS 40 2.640 8.842 8.850
279 HN2 NH2 41 H2 CYS 40 1.906 7.681 9.903
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 -4.103 17.573 -0.866
2 H2 GLU 1 HT2 GLU 1 -4.030 17.191 -2.510
3 H3 GLU 1 HT3 GLU 1 -2.946 16.492 -1.412
4 HA GLU 1 HA GLU 1 -5.859 16.104 -1.338
5 HB2 GLU 1 HB2 GLU 1 -5.392 13.790 -2.062
6 HB3 GLU 1 HB1 GLU 1 -4.945 14.955 -3.297
7 HG2 GLU 1 HG2 GLU 1 -2.616 14.679 -2.790
8 HG3 GLU 1 HG1 GLU 1 -2.997 13.692 -1.378
9 H HIS 2 H HIS 2 -6.445 14.401 0.159
10 HA HIS 2 HA HIS 2 -4.677 14.346 2.469
11 HB2 HIS 2 HB2 HIS 2 -7.035 14.930 2.894
12 HB3 HIS 2 HB1 HIS 2 -7.559 13.444 2.114
13 HD1 HIS 2 HD1 HIS 2 -7.909 11.474 3.665
14 HD2 HIS 2 HD2 HIS 2 -5.494 14.413 5.336
15 HE1 HIS 2 HE1 HIS 2 -7.437 10.734 6.010
16 H CYS 3 H CYS 3 -3.351 12.651 2.666
17 HA CYS 3 HA CYS 3 -3.684 10.443 0.908
18 HB2 CYS 3 HB2 CYS 3 -1.584 9.578 1.936
19 HB3 CYS 3 HB1 CYS 3 -1.434 11.198 1.278
20 H ALA 4 H ALA 4 -5.003 8.894 1.227
21 HA ALA 4 HA ALA 4 -5.149 7.597 3.813
22 HB1 ALA 4 HB1 ALA 4 -7.069 9.126 3.753
23 HB2 ALA 4 HB2 ALA 4 -7.600 7.450 3.609
24 HB3 ALA 4 HB3 ALA 4 -7.540 8.480 2.180
25 H ASP 5 H ASP 5 -5.839 5.409 3.558
26 HA ASP 5 HA ASP 5 -4.817 4.132 1.225
27 HB2 ASP 5 HB2 ASP 5 -6.730 2.874 3.176
28 HB3 ASP 5 HB1 ASP 5 -5.551 2.061 2.162
29 H GLU 6 H GLU 6 -5.916 2.835 -0.288
30 HA GLU 6 HA GLU 6 -8.356 4.051 -1.223
31 HB2 GLU 6 HB2 GLU 6 -6.162 3.140 -2.512
32 HB3 GLU 6 HB1 GLU 6 -7.120 1.675 -2.543
33 HG2 GLU 6 HG2 GLU 6 -7.926 4.343 -3.672
34 HG3 GLU 6 HG1 GLU 6 -7.357 2.936 -4.569
35 H LYS 7 H LYS 7 -10.247 2.787 -1.675
36 HA LYS 7 HA LYS 7 -10.800 0.977 0.516
37 HB2 LYS 7 HB2 LYS 7 -13.108 1.330 0.065
38 HB3 LYS 7 HB1 LYS 7 -12.283 2.880 0.032
39 HG2 LYS 7 HG2 LYS 7 -12.182 2.560 -2.506
40 HG3 LYS 7 HG1 LYS 7 -13.370 1.286 -2.262
41 HD2 LYS 7 HD2 LYS 7 -14.629 3.210 -2.737
42 HD3 LYS 7 HD1 LYS 7 -14.686 2.976 -0.979
43 HE2 LYS 7 HE2 LYS 7 -14.293 5.338 -1.621
44 HE3 LYS 7 HE1 LYS 7 -13.021 4.658 -0.615
45 HZ1 LYS 7 HZ1 LYS 7 -12.072 5.917 -2.384
46 HZ2 LYS 7 HZ2 LYS 7 -12.945 5.104 -3.552
47 HZ3 LYS 7 HZ3 LYS 7 -11.701 4.312 -2.736
48 H ASN 8 H ASN 8 -10.633 0.847 -2.899
49 HA ASN 8 HA ASN 8 -11.791 -1.835 -2.954
50 HB2 ASN 8 HB2 ASN 8 -10.779 -0.087 -5.211
51 HB3 ASN 8 HB1 ASN 8 -11.412 -1.710 -5.441
52 HD21 ASN 8 HD21 ASN 8 -12.356 0.827 -6.488
53 HD22 ASN 8 HD22 ASN 8 -13.990 0.969 -5.983
54 H PHE 9 H PHE 9 -8.797 -0.223 -3.149
55 HA PHE 9 HA PHE 9 -7.199 -2.457 -3.998
56 HB2 PHE 9 HB2 PHE 9 -6.559 0.042 -3.936
57 HB3 PHE 9 HB1 PHE 9 -6.238 -0.240 -2.221
58 HD1 PHE 9 HD1 PHE 9 -4.378 -1.545 -1.512
59 HD2 PHE 9 HD2 PHE 9 -5.312 -1.105 -5.610
60 HE1 PHE 9 HE1 PHE 9 -2.226 -2.529 -2.098
61 HE2 PHE 9 HE2 PHE 9 -3.199 -2.066 -6.226
62 HZ PHE 9 HZ PHE 9 -1.596 -2.790 -4.456
63 H ASP 10 H ASP 10 -6.318 -4.062 -2.768
64 HA ASP 10 HA ASP 10 -7.407 -4.262 -0.092
65 HB2 ASP 10 HB2 ASP 10 -7.579 -6.166 -1.721
66 HB3 ASP 10 HB1 ASP 10 -5.835 -6.340 -1.605
67 H CYS 11 H CYS 11 -6.194 -2.921 1.085
68 HA CYS 11 HA CYS 11 -3.364 -2.807 0.986
69 HB2 CYS 11 HB2 CYS 11 -5.275 -1.792 3.099
70 HB3 CYS 11 HB1 CYS 11 -3.580 -1.344 2.943
71 H ARG 12 H ARG 12 -5.688 -4.607 2.887
72 HA ARG 12 HA ARG 12 -3.909 -5.302 5.011
73 HB2 ARG 12 HB2 ARG 12 -6.453 -6.678 4.150
74 HB3 ARG 12 HB1 ARG 12 -5.632 -6.890 5.688
75 HG2 ARG 12 HG2 ARG 12 -6.875 -4.339 4.695
76 HG3 ARG 12 HG1 ARG 12 -7.577 -5.433 5.885
77 HD2 ARG 12 HD2 ARG 12 -5.743 -4.974 7.415
78 HD3 ARG 12 HD1 ARG 12 -4.947 -3.977 6.197
79 HE ARG 12 HE ARG 12 -7.272 -2.782 6.367
80 HH11 ARG 12 HH11 ARG 12 -5.150 -3.876 9.009
81 HH12 ARG 12 HH12 ARG 12 -5.612 -2.626 10.061
82 HH21 ARG 12 HH21 ARG 12 -7.894 -1.080 7.855
83 HH22 ARG 12 HH22 ARG 12 -7.180 -1.047 9.409
84 H ARG 13 H ARG 13 -5.116 -7.080 2.201
85 HA ARG 13 HA ARG 13 -3.548 -9.354 2.732
86 HB2 ARG 13 HB2 ARG 13 -5.481 -9.610 1.401
87 HB3 ARG 13 HB1 ARG 13 -4.969 -8.365 0.287
88 HG2 ARG 13 HG2 ARG 13 -3.299 -9.788 -0.636
89 HG3 ARG 13 HG1 ARG 13 -3.588 -11.013 0.602
90 HD2 ARG 13 HD2 ARG 13 -4.663 -11.464 -1.624
91 HD3 ARG 13 HD1 ARG 13 -5.754 -11.489 -0.244
92 HE ARG 13 HE ARG 13 -6.435 -9.218 -0.893
93 HH11 ARG 13 HH11 ARG 13 -5.024 -11.326 -3.349
94 HH12 ARG 13 HH12 ARG 13 -5.759 -10.529 -4.658
95 HH21 ARG 13 HH21 ARG 13 -7.487 -8.188 -2.661
96 HH22 ARG 13 HH22 ARG 13 -7.185 -8.666 -4.267
97 H SER 14 H SER 14 -2.964 -6.496 0.687
98 HA SER 14 HA SER 14 -0.534 -7.390 -0.393
99 HB2 SER 14 HB2 SER 14 -1.396 -4.552 0.246
100 HB3 SER 14 HB1 SER 14 -0.074 -4.983 -0.836
101 HG SER 14 HG SER 14 -2.800 -5.067 -1.209
102 H LEU 15 H LEU 15 -1.275 -5.831 2.664
103 HA LEU 15 HA LEU 15 1.354 -5.412 3.560
104 HB2 LEU 15 HB2 LEU 15 -0.629 -4.316 4.508
105 HB3 LEU 15 HB1 LEU 15 -1.204 -5.855 5.096
106 HG LEU 15 HG LEU 15 0.682 -5.970 6.670
107 HD11 LEU 15 HD11 LEU 15 1.365 -3.230 5.607
108 HD12 LEU 15 HD12 LEU 15 2.306 -4.705 5.375
109 HD13 LEU 15 HD13 LEU 15 2.119 -4.025 6.992
110 HD21 LEU 15 HD21 LEU 15 -1.440 -4.948 7.330
111 HD22 LEU 15 HD22 LEU 15 -0.837 -3.375 6.796
112 HD23 LEU 15 HD23 LEU 15 -0.068 -4.200 8.151
113 H ARG 16 H ARG 16 -0.922 -8.067 3.981
114 HA ARG 16 HA ARG 16 0.785 -9.660 5.592
115 HB2 ARG 16 HB2 ARG 16 -1.608 -10.391 3.929
116 HB3 ARG 16 HB1 ARG 16 -0.767 -11.536 4.961
117 HG2 ARG 16 HG2 ARG 16 -1.315 -10.159 6.909
118 HG3 ARG 16 HG1 ARG 16 -2.150 -9.017 5.854
119 HD2 ARG 16 HD2 ARG 16 -3.713 -10.555 6.937
120 HD3 ARG 16 HD1 ARG 16 -3.714 -10.745 5.183
121 HE ARG 16 HE ARG 16 -1.909 -12.555 6.381
122 HH11 ARG 16 HH11 ARG 16 -5.367 -12.062 5.868
123 HH12 ARG 16 HH12 ARG 16 -5.795 -13.701 6.059
124 HH21 ARG 16 HH21 ARG 16 -2.480 -14.858 6.602
125 HH22 ARG 16 HH22 ARG 16 -4.117 -15.313 6.477
126 H ASN 17 H ASN 17 0.374 -9.404 2.128
127 HA ASN 17 HA ASN 17 1.769 -11.784 1.403
128 HB2 ASN 17 HB2 ASN 17 1.468 -9.220 -0.163
129 HB3 ASN 17 HB1 ASN 17 2.114 -10.719 -0.793
130 HD21 ASN 17 HD21 ASN 17 -0.064 -9.119 -1.602
131 HD22 ASN 17 HD22 ASN 17 -1.482 -10.126 -1.631
132 H GLY 18 H GLY 18 2.738 -8.443 1.740
133 HA2 GLY 18 HA2 GLY 18 5.062 -8.124 2.613
134 HA3 GLY 18 HA1 GLY 18 5.526 -9.322 1.418
135 H ASP 19 H ASP 19 3.027 -7.375 0.285
136 HA ASP 19 HA ASP 19 4.659 -6.202 -1.750
137 HB2 ASP 19 HB2 ASP 19 1.813 -5.573 -0.937
138 HB3 ASP 19 HB1 ASP 19 2.589 -4.986 -2.400
139 H CYS 20 H CYS 20 3.352 -5.260 1.275
140 HA CYS 20 HA CYS 20 3.941 -2.455 0.986
141 HB2 CYS 20 HB2 CYS 20 1.949 -3.222 2.197
142 HB3 CYS 20 HB1 CYS 20 2.961 -4.104 3.324
143 H ASP 21 H ASP 21 5.795 -5.075 1.476
144 HA ASP 21 HA ASP 21 7.733 -3.652 3.187
145 HB2 ASP 21 HB2 ASP 21 6.945 -5.739 4.189
146 HB3 ASP 21 HB1 ASP 21 7.326 -6.621 2.719
147 H ASN 22 H ASN 22 7.005 -4.601 0.073
148 HA ASN 22 HA ASN 22 9.730 -5.167 -0.736
149 HB2 ASN 22 HB2 ASN 22 7.953 -6.548 -1.676
150 HB3 ASN 22 HB1 ASN 22 7.159 -5.134 -2.345
151 HD21 ASN 22 HD21 ASN 22 8.233 -7.602 -3.599
152 HD22 ASN 22 HD22 ASN 22 9.331 -7.044 -4.822
153 H ASP 23 H ASP 23 11.033 -3.760 -1.391
154 HA ASP 23 HA ASP 23 10.734 -1.034 -1.291
155 HB2 ASP 23 HB2 ASP 23 12.891 -2.064 -1.209
156 HB3 ASP 23 HB1 ASP 23 12.717 -2.660 -2.854
157 H ASP 24 H ASP 24 10.552 -3.064 -4.208
158 HA ASP 24 HA ASP 24 10.349 -0.892 -6.041
159 HB2 ASP 24 HB2 ASP 24 9.420 -3.758 -6.361
160 HB3 ASP 24 HB1 ASP 24 9.394 -2.570 -7.650
161 H LYS 25 H LYS 25 8.060 -2.689 -4.186
162 HA LYS 25 HA LYS 25 5.819 -1.567 -5.608
163 HB2 LYS 25 HB2 LYS 25 6.041 -3.615 -3.439
164 HB3 LYS 25 HB1 LYS 25 4.494 -2.848 -3.768
165 HG2 LYS 25 HG2 LYS 25 4.603 -4.940 -4.885
166 HG3 LYS 25 HG1 LYS 25 4.662 -3.658 -6.090
167 HD2 LYS 25 HD2 LYS 25 7.095 -3.950 -6.242
168 HD3 LYS 25 HD1 LYS 25 7.002 -5.256 -5.055
169 HE2 LYS 25 HE2 LYS 25 5.499 -6.471 -6.521
170 HE3 LYS 25 HE1 LYS 25 5.615 -5.170 -7.706
171 HZ1 LYS 25 HZ1 LYS 25 8.016 -5.631 -7.862
172 HZ2 LYS 25 HZ2 LYS 25 7.094 -6.946 -8.320
173 HZ3 LYS 25 HZ3 LYS 25 7.842 -6.934 -6.818
174 H LEU 26 H LEU 26 7.725 -0.602 -3.021
175 HA LEU 26 HA LEU 26 5.817 0.493 -1.318
176 HB2 LEU 26 HB2 LEU 26 8.640 1.416 -1.803
177 HB3 LEU 26 HB1 LEU 26 7.617 2.051 -0.530
178 HG LEU 26 HG LEU 26 8.606 -0.784 -0.798
179 HD11 LEU 26 HD11 LEU 26 9.224 1.356 1.223
180 HD12 LEU 26 HD12 LEU 26 10.310 0.758 -0.033
181 HD13 LEU 26 HD13 LEU 26 9.799 -0.310 1.274
182 HD21 LEU 26 HD21 LEU 26 6.374 -0.816 0.111
183 HD22 LEU 26 HD22 LEU 26 6.788 0.454 1.257
184 HD23 LEU 26 HD23 LEU 26 7.534 -1.140 1.399
185 H LEU 27 H LEU 27 7.153 1.843 -4.277
186 HA LEU 27 HA LEU 27 6.215 4.427 -4.092
187 HB2 LEU 27 HB2 LEU 27 7.672 3.788 -5.834
188 HB3 LEU 27 HB1 LEU 27 6.592 2.501 -6.351
189 HG LEU 27 HG LEU 27 4.975 4.206 -6.920
190 HD11 LEU 27 HD11 LEU 27 5.786 6.127 -5.704
191 HD12 LEU 27 HD12 LEU 27 5.811 6.515 -7.425
192 HD13 LEU 27 HD13 LEU 27 7.309 6.096 -6.592
193 HD21 LEU 27 HD21 LEU 27 7.565 4.166 -8.426
194 HD22 LEU 27 HD22 LEU 27 6.014 4.727 -9.087
195 HD23 LEU 27 HD23 LEU 27 6.204 3.050 -8.550
196 H GLU 28 H GLU 28 4.681 1.501 -5.403
197 HA GLU 28 HA GLU 28 2.222 2.678 -6.107
198 HB2 GLU 28 HB2 GLU 28 3.019 0.540 -7.058
199 HB3 GLU 28 HB1 GLU 28 2.893 -0.205 -5.478
200 HG2 GLU 28 HG2 GLU 28 0.518 0.020 -5.496
201 HG3 GLU 28 HG1 GLU 28 0.573 0.939 -7.003
202 H MET 29 H MET 29 3.531 1.400 -3.214
203 HA MET 29 HA MET 29 1.020 1.046 -1.877
204 HB2 MET 29 HB2 MET 29 3.841 1.102 -0.788
205 HB3 MET 29 HB1 MET 29 2.428 0.781 0.195
206 HG2 MET 29 HG2 MET 29 2.990 -0.923 -2.199
207 HG3 MET 29 HG1 MET 29 3.894 -1.181 -0.720
208 HE1 MET 29 HE1 MET 29 -0.688 -1.854 -1.063
209 HE2 MET 29 HE2 MET 29 0.288 -1.185 -2.379
210 HE3 MET 29 3HE MET 29 -0.056 -0.227 -0.929
211 H GLY 30 H GLY 30 3.357 3.563 -2.249
212 HA2 GLY 30 HA2 GLY 30 2.571 5.206 -0.114
213 HA3 GLY 30 HA1 GLY 30 3.420 5.737 -1.552
214 H TYR 31 H TYR 31 1.220 4.791 -3.305
215 HA TYR 31 HA TYR 31 -0.529 6.971 -2.610
216 HB2 TYR 31 HB2 TYR 31 -1.330 7.031 -4.973
217 HB3 TYR 31 HB1 TYR 31 0.349 7.460 -4.658
218 HD1 TYR 31 HD1 TYR 31 2.144 6.215 -5.631
219 HD2 TYR 31 HD2 TYR 31 -1.884 4.980 -6.145
220 HE1 TYR 31 HE1 TYR 31 2.843 4.762 -7.411
221 HE2 TYR 31 HE2 TYR 31 -1.201 3.494 -7.934
222 HH TYR 31 HH TYR 31 2.107 2.786 -8.600
223 H TYR 32 H TYR 32 -0.706 3.673 -3.420
224 HA TYR 32 HA TYR 32 -3.558 3.648 -3.217
225 HB2 TYR 32 HB2 TYR 32 -1.585 1.425 -3.441
226 HB3 TYR 32 HB1 TYR 32 -3.237 1.071 -2.955
227 HD1 TYR 32 HD1 TYR 32 -1.144 1.213 -5.691
228 HD2 TYR 32 HD2 TYR 32 -5.025 2.384 -4.460
229 HE1 TYR 32 HE1 TYR 32 -1.871 1.262 -8.044
230 HE2 TYR 32 HE2 TYR 32 -5.770 2.440 -6.766
231 HH TYR 32 HH TYR 32 -3.963 1.102 -9.315
232 H CYS 33 H CYS 33 -1.049 2.696 -0.870
233 HA CYS 33 HA CYS 33 -3.159 2.890 1.135
234 HB2 CYS 33 HB2 CYS 33 -1.154 0.624 1.077
235 HB3 CYS 33 HB1 CYS 33 -2.461 0.864 2.233
236 HA PRO 34 HA PRO 34 0.828 5.188 2.029
237 HB2 PRO 34 HB2 PRO 34 -0.345 7.510 2.825
238 HB3 PRO 34 HB1 PRO 34 0.055 7.154 1.140
239 HG2 PRO 34 HG2 PRO 34 -2.554 6.817 2.568
240 HG3 PRO 34 HG1 PRO 34 -2.255 7.565 0.997
241 HD2 PRO 34 HD2 PRO 34 -3.152 5.090 1.162
242 HD3 PRO 34 HD1 PRO 34 -1.928 5.514 -0.054
243 H VAL 35 H VAL 35 -2.130 4.663 3.757
244 HA VAL 35 HA VAL 35 -0.938 5.515 6.228
245 HB VAL 35 HB VAL 35 -3.695 4.385 5.737
246 HG11 VAL 35 HG11 VAL 35 -4.207 5.243 7.983
247 HG12 VAL 35 HG12 VAL 35 -2.517 5.729 8.168
248 HG13 VAL 35 3HG1 VAL 35 -2.931 4.021 8.038
249 HG21 VAL 35 HG21 VAL 35 -4.413 6.721 5.940
250 HG22 VAL 35 HG22 VAL 35 -3.234 6.501 4.626
251 HG23 VAL 35 HG23 VAL 35 -2.721 7.200 6.150
252 H THR 36 H THR 36 -2.211 2.554 4.814
253 HA THR 36 HA THR 36 -1.726 0.770 6.882
254 HB THR 36 HB THR 36 -1.478 0.194 3.923
255 HG1 THR 36 HG1 THR 36 -3.442 1.182 4.294
256 HG21 THR 36 HG21 THR 36 -0.749 -1.662 5.371
257 HG22 THR 36 HG22 THR 36 -2.256 -2.061 4.550
258 HG23 THR 36 HG23 THR 36 -2.277 -1.581 6.246
259 H CYS 37 H CYS 37 0.486 1.845 4.351
260 HA CYS 37 HA CYS 37 2.610 0.232 5.429
261 HB2 CYS 37 HB2 CYS 37 2.473 2.076 3.081
262 HB3 CYS 37 HB1 CYS 37 3.937 1.196 3.534
263 H GLY 38 H GLY 38 1.395 3.005 6.504
264 HA2 GLY 38 HA2 GLY 38 2.161 4.403 8.106
265 HA3 GLY 38 HA1 GLY 38 3.653 3.487 8.135
266 H PHE 39 H PHE 39 2.380 5.243 5.348
267 HA PHE 39 HA PHE 39 4.755 6.936 5.336
268 HB2 PHE 39 HB2 PHE 39 2.360 6.867 3.477
269 HB3 PHE 39 HB1 PHE 39 3.761 7.898 3.262
270 HD1 PHE 39 HD1 PHE 39 5.908 6.932 2.612
271 HD2 PHE 39 HD2 PHE 39 2.388 4.593 2.906
272 HE1 PHE 39 HE1 PHE 39 6.982 5.189 1.246
273 HE2 PHE 39 HE2 PHE 39 3.461 2.823 1.514
274 HZ PHE 39 HZ PHE 39 5.752 3.131 0.700
275 HA CYS 40 HA CYS 40 1.507 9.776 6.833
276 HB2 CYS 40 HB2 CYS 40 -0.851 8.313 5.623
277 HB3 CYS 40 HB1 CYS 40 -0.868 9.964 6.229
278 HN1 NH2 41 H1 CYS 40 1.990 9.117 8.927
279 HN2 NH2 41 H2 CYS 40 0.882 8.218 9.905
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 -6.880 16.544 0.327
2 H2 GLU 1 HT2 GLU 1 -6.474 18.178 0.343
3 H3 GLU 1 HT3 GLU 1 -6.980 17.429 1.758
4 HA GLU 1 HA GLU 1 -4.503 16.886 0.233
5 HB2 GLU 1 HB2 GLU 1 -4.483 19.005 1.576
6 HB3 GLU 1 HB1 GLU 1 -4.880 18.010 2.983
7 HG2 GLU 1 HG2 GLU 1 -2.517 18.580 2.933
8 HG3 GLU 1 HG1 GLU 1 -2.814 16.844 2.836
9 H HIS 2 H HIS 2 -6.570 16.067 3.018
10 HA HIS 2 HA HIS 2 -4.968 14.314 4.366
11 HB2 HIS 2 HB2 HIS 2 -7.090 15.108 5.233
12 HB3 HIS 2 HB1 HIS 2 -7.961 14.266 3.965
13 HD1 HIS 2 HD1 HIS 2 -9.095 12.265 4.873
14 HD2 HIS 2 HD2 HIS 2 -5.507 13.014 6.823
15 HE1 HIS 2 HE1 HIS 2 -8.860 10.473 6.614
16 H CYS 3 H CYS 3 -3.895 12.762 3.611
17 HA CYS 3 HA CYS 3 -4.643 11.206 1.357
18 HB2 CYS 3 HB2 CYS 3 -2.562 9.873 1.935
19 HB3 CYS 3 HB1 CYS 3 -2.305 11.594 1.663
20 H ALA 4 H ALA 4 -5.499 9.188 1.238
21 HA ALA 4 HA ALA 4 -5.962 7.694 3.681
22 HB1 ALA 4 HB1 ALA 4 -7.953 9.097 3.402
23 HB2 ALA 4 HB2 ALA 4 -8.323 7.393 3.130
24 HB3 ALA 4 HB3 ALA 4 -8.146 8.488 1.758
25 H ASP 5 H ASP 5 -6.122 5.548 3.334
26 HA ASP 5 HA ASP 5 -4.893 4.343 1.128
27 HB2 ASP 5 HB2 ASP 5 -6.868 3.038 3.000
28 HB3 ASP 5 HB1 ASP 5 -5.648 2.226 2.031
29 H GLU 6 H GLU 6 -5.596 3.329 -0.708
30 HA GLU 6 HA GLU 6 -8.042 4.113 -1.860
31 HB2 GLU 6 HB2 GLU 6 -6.024 3.763 -3.209
32 HB3 GLU 6 HB1 GLU 6 -5.954 2.086 -2.711
33 HG2 GLU 6 HG2 GLU 6 -6.762 2.391 -4.971
34 HG3 GLU 6 HG1 GLU 6 -7.938 1.587 -3.929
35 H LYS 7 H LYS 7 -9.891 3.024 -2.097
36 HA LYS 7 HA LYS 7 -10.340 0.738 -0.357
37 HB2 LYS 7 HB2 LYS 7 -12.706 1.099 -0.772
38 HB3 LYS 7 HB1 LYS 7 -11.913 2.571 -0.250
39 HG2 LYS 7 HG2 LYS 7 -11.855 3.361 -2.545
40 HG3 LYS 7 HG1 LYS 7 -12.666 1.887 -3.080
41 HD2 LYS 7 HD2 LYS 7 -14.356 3.563 -2.867
42 HD3 LYS 7 HD1 LYS 7 -14.487 2.427 -1.512
43 HE2 LYS 7 HE2 LYS 7 -14.784 4.731 -0.743
44 HE3 LYS 7 HE1 LYS 7 -13.344 4.012 -0.038
45 HZ1 LYS 7 HZ1 LYS 7 -13.402 5.897 -2.339
46 HZ2 LYS 7 HZ2 LYS 7 -12.012 5.228 -1.704
47 HZ3 LYS 7 HZ3 LYS 7 -12.944 6.266 -0.769
48 H ASN 8 H ASN 8 -9.851 1.399 -3.593
49 HA ASN 8 HA ASN 8 -11.088 -1.036 -4.635
50 HB2 ASN 8 HB2 ASN 8 -9.381 1.039 -6.039
51 HB3 ASN 8 HB1 ASN 8 -10.206 -0.290 -6.834
52 HD21 ASN 8 HD21 ASN 8 -12.639 0.022 -5.126
53 HD22 ASN 8 HD22 ASN 8 -13.414 1.424 -5.717
54 H PHE 9 H PHE 9 -8.729 -0.875 -2.758
55 HA PHE 9 HA PHE 9 -6.996 -2.865 -4.020
56 HB2 PHE 9 HB2 PHE 9 -6.148 -0.448 -4.254
57 HB3 PHE 9 HB1 PHE 9 -6.012 -0.463 -2.501
58 HD1 PHE 9 HD1 PHE 9 -4.077 -1.230 -1.528
59 HD2 PHE 9 HD2 PHE 9 -5.030 -2.331 -5.502
60 HE1 PHE 9 HE1 PHE 9 -1.872 -2.260 -1.758
61 HE2 PHE 9 HE2 PHE 9 -2.884 -3.360 -5.765
62 HZ PHE 9 HZ PHE 9 -1.235 -3.311 -3.872
63 H ASP 10 H ASP 10 -6.359 -4.333 -2.328
64 HA ASP 10 HA ASP 10 -7.537 -3.629 0.236
65 HB2 ASP 10 HB2 ASP 10 -8.235 -5.837 -0.714
66 HB3 ASP 10 HB1 ASP 10 -6.567 -6.389 -0.511
67 H CYS 11 H CYS 11 -6.293 -2.579 1.384
68 HA CYS 11 HA CYS 11 -3.516 -2.559 1.208
69 HB2 CYS 11 HB2 CYS 11 -5.328 -1.457 3.349
70 HB3 CYS 11 HB1 CYS 11 -3.648 -1.009 3.069
71 H ARG 12 H ARG 12 -5.694 -4.366 3.311
72 HA ARG 12 HA ARG 12 -3.770 -5.076 5.291
73 HB2 ARG 12 HB2 ARG 12 -6.195 -6.636 4.399
74 HB3 ARG 12 HB1 ARG 12 -5.289 -6.899 5.877
75 HG2 ARG 12 HG2 ARG 12 -6.795 -4.394 5.211
76 HG3 ARG 12 HG1 ARG 12 -7.421 -5.712 6.203
77 HD2 ARG 12 HD2 ARG 12 -5.667 -5.303 7.830
78 HD3 ARG 12 HD1 ARG 12 -4.981 -4.042 6.798
79 HE ARG 12 HE ARG 12 -7.625 -3.426 7.156
80 HH11 ARG 12 HH11 ARG 12 -4.813 -3.739 9.291
81 HH12 ARG 12 HH12 ARG 12 -5.323 -2.533 10.363
82 HH21 ARG 12 HH21 ARG 12 -8.318 -1.782 8.635
83 HH22 ARG 12 HH22 ARG 12 -7.360 -1.403 9.996
84 H ARG 13 H ARG 13 -5.030 -6.735 2.452
85 HA ARG 13 HA ARG 13 -3.656 -9.106 2.522
86 HB2 ARG 13 HB2 ARG 13 -5.511 -8.506 1.039
87 HB3 ARG 13 HB1 ARG 13 -4.429 -7.474 0.127
88 HG2 ARG 13 HG2 ARG 13 -3.169 -9.365 -0.625
89 HG3 ARG 13 HG1 ARG 13 -4.097 -10.445 0.425
90 HD2 ARG 13 HD2 ARG 13 -5.151 -8.826 -1.881
91 HD3 ARG 13 HD1 ARG 13 -4.970 -10.585 -1.818
92 HE ARG 13 HE ARG 13 -6.520 -10.078 0.306
93 HH11 ARG 13 HH11 ARG 13 -6.838 -9.193 -3.087
94 HH12 ARG 13 HH12 ARG 13 -8.537 -9.130 -3.061
95 HH21 ARG 13 HH21 ARG 13 -8.841 -9.875 0.373
96 HH22 ARG 13 HH22 ARG 13 -9.692 -9.465 -1.045
97 H SER 14 H SER 14 -2.711 -6.191 0.678
98 HA SER 14 HA SER 14 -0.312 -7.237 -0.259
99 HB2 SER 14 HB2 SER 14 -1.062 -4.357 0.227
100 HB3 SER 14 HB1 SER 14 0.188 -4.939 -0.877
101 HG SER 14 HG SER 14 -1.271 -5.242 -2.278
102 H LEU 15 H LEU 15 -1.056 -5.543 2.738
103 HA LEU 15 HA LEU 15 1.636 -5.092 3.546
104 HB2 LEU 15 HB2 LEU 15 -0.582 -4.012 4.401
105 HB3 LEU 15 HB1 LEU 15 -0.728 -5.426 5.407
106 HG LEU 15 HG LEU 15 0.098 -3.485 6.654
107 HD11 LEU 15 HD11 LEU 15 2.064 -4.434 7.721
108 HD12 LEU 15 HD12 LEU 15 2.208 -5.603 6.408
109 HD13 LEU 15 HD13 LEU 15 0.799 -5.637 7.469
110 HD21 LEU 15 HD21 LEU 15 2.306 -2.545 6.237
111 HD22 LEU 15 HD22 LEU 15 1.232 -2.316 4.857
112 HD23 LEU 15 HD23 LEU 15 2.477 -3.564 4.811
113 H ARG 16 H ARG 16 -0.748 -7.630 4.099
114 HA ARG 16 HA ARG 16 0.733 -9.265 5.850
115 HB2 ARG 16 HB2 ARG 16 -1.512 -9.894 3.943
116 HB3 ARG 16 HB1 ARG 16 -0.809 -11.096 5.008
117 HG2 ARG 16 HG2 ARG 16 -1.545 -9.875 6.949
118 HG3 ARG 16 HG1 ARG 16 -2.109 -8.542 5.935
119 HD2 ARG 16 HD2 ARG 16 -3.940 -10.038 6.682
120 HD3 ARG 16 HD1 ARG 16 -3.783 -9.951 4.929
121 HE ARG 16 HE ARG 16 -2.357 -12.142 6.134
122 HH11 ARG 16 HH11 ARG 16 -5.517 -11.156 4.885
123 HH12 ARG 16 HH12 ARG 16 -5.993 -12.727 4.441
124 HH21 ARG 16 HH21 ARG 16 -3.005 -14.274 5.536
125 HH22 ARG 16 HH22 ARG 16 -4.535 -14.543 4.794
126 H ASN 17 H ASN 17 0.378 -9.348 2.318
127 HA ASN 17 HA ASN 17 1.868 -11.678 1.769
128 HB2 ASN 17 HB2 ASN 17 1.697 -9.201 0.054
129 HB3 ASN 17 HB1 ASN 17 2.195 -10.794 -0.475
130 HD21 ASN 17 HD21 ASN 17 0.149 -9.034 -1.349
131 HD22 ASN 17 HD22 ASN 17 -1.344 -9.918 -1.313
132 H GLY 18 H GLY 18 2.807 -8.409 2.319
133 HA2 GLY 18 HA2 GLY 18 5.020 -7.891 3.174
134 HA3 GLY 18 HA1 GLY 18 5.615 -9.275 2.266
135 H ASP 19 H ASP 19 3.291 -7.355 0.703
136 HA ASP 19 HA ASP 19 5.077 -6.776 -1.433
137 HB2 ASP 19 HB2 ASP 19 2.255 -5.805 -0.930
138 HB3 ASP 19 HB1 ASP 19 3.180 -5.425 -2.373
139 H CYS 20 H CYS 20 4.020 -5.058 1.382
140 HA CYS 20 HA CYS 20 4.985 -2.532 0.334
141 HB2 CYS 20 HB2 CYS 20 2.968 -2.690 1.876
142 HB3 CYS 20 HB1 CYS 20 4.079 -3.131 3.162
143 H ASP 21 H ASP 21 6.345 -5.233 1.626
144 HA ASP 21 HA ASP 21 8.591 -3.745 2.762
145 HB2 ASP 21 HB2 ASP 21 7.793 -5.664 4.063
146 HB3 ASP 21 HB1 ASP 21 7.981 -6.714 2.667
147 H ASN 22 H ASN 22 7.475 -4.998 -0.097
148 HA ASN 22 HA ASN 22 10.063 -5.655 -1.207
149 HB2 ASN 22 HB2 ASN 22 8.202 -7.089 -1.848
150 HB3 ASN 22 HB1 ASN 22 7.297 -5.701 -2.428
151 HD21 ASN 22 HD21 ASN 22 7.126 -6.731 -4.440
152 HD22 ASN 22 HD22 ASN 22 8.442 -6.776 -5.554
153 H ASP 23 H ASP 23 11.275 -4.241 -2.205
154 HA ASP 23 HA ASP 23 10.697 -1.514 -2.306
155 HB2 ASP 23 HB2 ASP 23 12.985 -2.319 -2.242
156 HB3 ASP 23 HB1 ASP 23 12.809 -3.033 -3.838
157 H ASP 24 H ASP 24 10.379 -3.970 -4.754
158 HA ASP 24 HA ASP 24 9.869 -2.326 -6.983
159 HB2 ASP 24 HB2 ASP 24 10.397 -4.687 -7.259
160 HB3 ASP 24 HB1 ASP 24 8.923 -5.143 -6.416
161 H LYS 25 H LYS 25 7.843 -3.185 -4.299
162 HA LYS 25 HA LYS 25 5.526 -2.100 -5.697
163 HB2 LYS 25 HB2 LYS 25 5.671 -4.095 -3.448
164 HB3 LYS 25 HB1 LYS 25 4.182 -3.335 -3.989
165 HG2 LYS 25 HG2 LYS 25 5.971 -5.146 -5.586
166 HG3 LYS 25 HG1 LYS 25 4.340 -5.491 -4.989
167 HD2 LYS 25 HD2 LYS 25 3.637 -3.423 -6.283
168 HD3 LYS 25 HD1 LYS 25 5.197 -3.527 -7.066
169 HE2 LYS 25 HE2 LYS 25 4.732 -5.717 -7.914
170 HE3 LYS 25 HE1 LYS 25 3.185 -5.752 -7.059
171 HZ1 LYS 25 HZ1 LYS 25 2.859 -5.166 -9.373
172 HZ2 LYS 25 HZ2 LYS 25 3.948 -3.892 -9.234
173 HZ3 LYS 25 HZ3 LYS 25 2.486 -3.827 -8.397
174 H LEU 26 H LEU 26 7.759 -0.913 -3.831
175 HA LEU 26 HA LEU 26 6.376 0.094 -1.620
176 HB2 LEU 26 HB2 LEU 26 8.858 1.057 -2.988
177 HB3 LEU 26 HB1 LEU 26 8.167 1.898 -1.615
178 HG LEU 26 HG LEU 26 9.040 -0.978 -1.565
179 HD11 LEU 26 HD11 LEU 26 10.404 1.514 -0.521
180 HD12 LEU 26 HD12 LEU 26 10.954 0.537 -1.878
181 HD13 LEU 26 HD13 LEU 26 10.952 -0.139 -0.248
182 HD21 LEU 26 HD21 LEU 26 8.210 0.930 0.614
183 HD22 LEU 26 HD22 LEU 26 8.869 -0.684 0.868
184 HD23 LEU 26 HD23 LEU 26 7.317 -0.488 0.060
185 H LEU 27 H LEU 27 6.828 1.561 -4.833
186 HA LEU 27 HA LEU 27 5.548 3.992 -4.065
187 HB2 LEU 27 HB2 LEU 27 5.780 2.832 -6.862
188 HB3 LEU 27 HB1 LEU 27 5.182 4.421 -6.481
189 HG LEU 27 HG LEU 27 7.369 4.656 -7.326
190 HD11 LEU 27 HD11 LEU 27 8.558 5.733 -5.497
191 HD12 LEU 27 HD12 LEU 27 7.455 4.982 -4.345
192 HD13 LEU 27 HD13 LEU 27 6.844 6.144 -5.521
193 HD21 LEU 27 HD21 LEU 27 9.315 3.543 -6.361
194 HD22 LEU 27 HD22 LEU 27 8.088 2.397 -6.965
195 HD23 LEU 27 HD23 LEU 27 8.222 2.710 -5.236
196 H GLU 28 H GLU 28 4.549 1.024 -5.498
197 HA GLU 28 HA GLU 28 1.893 1.637 -6.067
198 HB2 GLU 28 HB2 GLU 28 3.069 -0.386 -6.864
199 HB3 GLU 28 HB1 GLU 28 3.077 -1.013 -5.226
200 HG2 GLU 28 HG2 GLU 28 0.656 -1.111 -5.234
201 HG3 GLU 28 HG1 GLU 28 0.622 -0.445 -6.869
202 H MET 29 H MET 29 3.488 0.647 -3.109
203 HA MET 29 HA MET 29 0.994 0.282 -1.762
204 HB2 MET 29 HB2 MET 29 3.853 0.079 -0.941
205 HB3 MET 29 HB1 MET 29 2.567 0.026 0.272
206 HG2 MET 29 HG2 MET 29 3.069 -1.847 -2.025
207 HG3 MET 29 HG1 MET 29 3.168 -2.202 -0.305
208 HE1 MET 29 HE1 MET 29 0.523 -0.524 0.636
209 HE2 MET 29 HE2 MET 29 0.962 -2.084 1.338
210 HE3 MET 29 3HE MET 29 -0.670 -1.821 0.714
211 H GLY 30 H GLY 30 3.285 2.717 -2.207
212 HA2 GLY 30 HA2 GLY 30 2.404 4.388 -0.057
213 HA3 GLY 30 HA1 GLY 30 3.426 4.885 -1.398
214 H TYR 31 H TYR 31 1.799 4.316 -3.561
215 HA TYR 31 HA TYR 31 -0.003 6.478 -3.205
216 HB2 TYR 31 HB2 TYR 31 -0.528 6.426 -5.536
217 HB3 TYR 31 HB1 TYR 31 1.216 6.467 -5.224
218 HD1 TYR 31 HD1 TYR 31 2.645 4.867 -6.423
219 HD2 TYR 31 HD2 TYR 31 -1.589 4.324 -6.221
220 HE1 TYR 31 HE1 TYR 31 2.788 3.148 -8.075
221 HE2 TYR 31 HE2 TYR 31 -1.441 2.582 -7.849
222 HH TYR 31 HH TYR 31 0.028 1.862 -9.651
223 H TYR 32 H TYR 32 -0.381 3.145 -3.462
224 HA TYR 32 HA TYR 32 -3.219 3.419 -3.502
225 HB2 TYR 32 HB2 TYR 32 -1.544 0.925 -3.230
226 HB3 TYR 32 HB1 TYR 32 -3.251 0.874 -2.867
227 HD1 TYR 32 HD1 TYR 32 -4.585 2.378 -4.793
228 HD2 TYR 32 HD2 TYR 32 -1.080 0.048 -5.279
229 HE1 TYR 32 HE1 TYR 32 -5.132 2.094 -7.139
230 HE2 TYR 32 HE2 TYR 32 -1.600 -0.247 -7.663
231 HH TYR 32 HH TYR 32 -3.580 -0.184 -9.089
232 H CYS 33 H CYS 33 -0.988 2.414 -0.874
233 HA CYS 33 HA CYS 33 -3.201 3.062 0.932
234 HB2 CYS 33 HB2 CYS 33 -1.359 0.696 1.224
235 HB3 CYS 33 HB1 CYS 33 -2.695 1.141 2.285
236 HA PRO 34 HA PRO 34 0.749 5.335 1.937
237 HB2 PRO 34 HB2 PRO 34 -0.436 7.712 2.533
238 HB3 PRO 34 HB1 PRO 34 0.034 7.246 0.894
239 HG2 PRO 34 HG2 PRO 34 -2.645 7.040 2.219
240 HG3 PRO 34 HG1 PRO 34 -2.255 7.665 0.611
241 HD2 PRO 34 HD2 PRO 34 -3.200 5.209 0.929
242 HD3 PRO 34 HD1 PRO 34 -1.937 5.539 -0.274
243 H VAL 35 H VAL 35 -2.293 4.974 3.554
244 HA VAL 35 HA VAL 35 -1.199 5.953 6.011
245 HB VAL 35 HB VAL 35 -3.967 4.841 5.559
246 HG11 VAL 35 HG11 VAL 35 -4.506 6.060 7.635
247 HG12 VAL 35 HG12 VAL 35 -2.807 6.514 7.789
248 HG13 VAL 35 3HG1 VAL 35 -3.277 4.821 7.908
249 HG21 VAL 35 HG21 VAL 35 -3.546 6.744 4.143
250 HG22 VAL 35 HG22 VAL 35 -2.909 7.654 5.501
251 HG23 VAL 35 HG23 VAL 35 -4.629 7.230 5.456
252 H THR 36 H THR 36 -2.322 2.942 4.636
253 HA THR 36 HA THR 36 -2.130 1.247 6.829
254 HB THR 36 HB THR 36 -1.559 0.573 3.943
255 HG1 THR 36 HG1 THR 36 -3.580 1.568 4.234
256 HG21 THR 36 HG21 THR 36 -2.525 -1.191 6.210
257 HG22 THR 36 HG22 THR 36 -0.902 -1.217 5.530
258 HG23 THR 36 HG23 THR 36 -2.275 -1.702 4.540
259 H CYS 37 H CYS 37 0.426 2.103 4.494
260 HA CYS 37 HA CYS 37 2.286 0.498 6.023
261 HB2 CYS 37 HB2 CYS 37 2.669 2.201 3.594
262 HB3 CYS 37 HB1 CYS 37 3.959 1.282 4.359
263 H GLY 38 H GLY 38 0.991 3.304 6.709
264 HA2 GLY 38 HA2 GLY 38 1.548 4.963 8.154
265 HA3 GLY 38 HA1 GLY 38 2.939 3.989 8.589
266 H PHE 39 H PHE 39 2.137 5.541 5.490
267 HA PHE 39 HA PHE 39 4.713 6.892 5.525
268 HB2 PHE 39 HB2 PHE 39 2.437 6.990 3.521
269 HB3 PHE 39 HB1 PHE 39 3.961 7.837 3.332
270 HD1 PHE 39 HD1 PHE 39 6.039 6.527 3.016
271 HD2 PHE 39 HD2 PHE 39 2.196 4.749 2.954
272 HE1 PHE 39 HE1 PHE 39 6.974 4.600 1.813
273 HE2 PHE 39 HE2 PHE 39 3.121 2.799 1.728
274 HZ PHE 39 HZ PHE 39 5.511 2.729 1.169
275 HA CYS 40 HA CYS 40 1.839 10.001 6.971
276 HB2 CYS 40 HB2 CYS 40 0.224 11.331 5.607
277 HB3 CYS 40 HB1 CYS 40 1.682 10.897 4.726
278 HN1 NH2 41 H1 CYS 40 1.064 8.968 8.724
279 HN2 NH2 41 H2 CYS 40 -0.584 8.470 8.906
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 -2.606 18.771 1.634
2 H2 GLU 1 HT2 GLU 1 -1.950 17.668 2.745
3 H3 GLU 1 HT3 GLU 1 -3.461 18.305 3.003
4 HA GLU 1 HA GLU 1 -4.368 17.167 1.137
5 HB2 GLU 1 HB2 GLU 1 -2.233 17.198 -0.203
6 HB3 GLU 1 HB1 GLU 1 -1.594 16.002 0.920
7 HG2 GLU 1 HG2 GLU 1 -3.234 14.388 0.215
8 HG3 GLU 1 HG1 GLU 1 -3.966 15.571 -0.868
9 H HIS 2 H HIS 2 -5.419 15.289 1.747
10 HA HIS 2 HA HIS 2 -4.282 13.837 4.028
11 HB2 HIS 2 HB2 HIS 2 -7.144 14.110 3.103
12 HB3 HIS 2 HB1 HIS 2 -6.642 12.847 4.212
13 HD1 HIS 2 HD1 HIS 2 -5.980 13.615 6.657
14 HD2 HIS 2 HD2 HIS 2 -7.390 16.630 4.165
15 HE1 HIS 2 HE1 HIS 2 -6.590 15.527 8.159
16 H CYS 3 H CYS 3 -3.533 11.898 3.687
17 HA CYS 3 HA CYS 3 -3.911 10.645 1.129
18 HB2 CYS 3 HB2 CYS 3 -2.325 8.971 2.043
19 HB3 CYS 3 HB1 CYS 3 -1.708 10.619 2.063
20 H ALA 4 H ALA 4 -4.799 8.518 0.848
21 HA ALA 4 HA ALA 4 -6.096 7.268 3.113
22 HB1 ALA 4 HB1 ALA 4 -8.254 7.131 1.954
23 HB2 ALA 4 HB2 ALA 4 -7.614 8.118 0.642
24 HB3 ALA 4 HB3 ALA 4 -7.802 8.810 2.253
25 H ASP 5 H ASP 5 -6.028 5.118 2.905
26 HA ASP 5 HA ASP 5 -4.716 3.808 0.737
27 HB2 ASP 5 HB2 ASP 5 -6.687 2.499 2.622
28 HB3 ASP 5 HB1 ASP 5 -5.426 1.708 1.703
29 H GLU 6 H GLU 6 -5.559 2.530 -0.908
30 HA GLU 6 HA GLU 6 -7.939 3.476 -2.092
31 HB2 GLU 6 HB2 GLU 6 -6.011 2.791 -3.428
32 HB3 GLU 6 HB1 GLU 6 -6.079 1.174 -2.765
33 HG2 GLU 6 HG2 GLU 6 -6.924 1.362 -5.046
34 HG3 GLU 6 HG1 GLU 6 -8.116 0.729 -3.908
35 H LYS 7 H LYS 7 -9.936 2.640 -2.028
36 HA LYS 7 HA LYS 7 -10.414 0.585 -0.040
37 HB2 LYS 7 HB2 LYS 7 -12.737 1.194 -0.124
38 HB3 LYS 7 HB1 LYS 7 -11.762 2.646 0.007
39 HG2 LYS 7 HG2 LYS 7 -12.066 3.068 -2.379
40 HG3 LYS 7 HG1 LYS 7 -13.024 1.593 -2.517
41 HD2 LYS 7 HD2 LYS 7 -14.612 3.337 -2.315
42 HD3 LYS 7 HD1 LYS 7 -14.493 2.549 -0.737
43 HE2 LYS 7 HE2 LYS 7 -14.580 4.956 -0.474
44 HE3 LYS 7 HE1 LYS 7 -13.022 4.333 0.055
45 HZ1 LYS 7 HZ1 LYS 7 -13.585 5.600 -2.567
46 HZ2 LYS 7 HZ2 LYS 7 -12.089 5.022 -2.092
47 HZ3 LYS 7 HZ3 LYS 7 -12.766 6.337 -1.300
48 H ASN 8 H ASN 8 -10.255 0.908 -3.365
49 HA ASN 8 HA ASN 8 -11.838 -1.454 -4.011
50 HB2 ASN 8 HB2 ASN 8 -10.008 0.244 -5.737
51 HB3 ASN 8 HB1 ASN 8 -10.964 -1.099 -6.335
52 HD21 ASN 8 HD21 ASN 8 -10.962 1.689 -7.069
53 HD22 ASN 8 HD22 ASN 8 -12.573 2.267 -6.876
54 H PHE 9 H PHE 9 -9.064 -1.135 -2.517
55 HA PHE 9 HA PHE 9 -7.656 -3.427 -3.764
56 HB2 PHE 9 HB2 PHE 9 -6.690 -1.144 -4.229
57 HB3 PHE 9 HB1 PHE 9 -6.487 -0.962 -2.493
58 HD1 PHE 9 HD1 PHE 9 -5.766 -3.436 -5.132
59 HD2 PHE 9 HD2 PHE 9 -4.423 -1.388 -1.678
60 HE1 PHE 9 HE1 PHE 9 -3.647 -4.530 -5.345
61 HE2 PHE 9 HE2 PHE 9 -2.248 -2.478 -1.865
62 HZ PHE 9 HZ PHE 9 -1.817 -4.039 -3.687
63 H ASP 10 H ASP 10 -6.559 -4.739 -2.108
64 HA ASP 10 HA ASP 10 -7.643 -4.128 0.536
65 HB2 ASP 10 HB2 ASP 10 -8.168 -6.416 -0.489
66 HB3 ASP 10 HB1 ASP 10 -6.474 -6.799 -0.170
67 H CYS 11 H CYS 11 -6.319 -2.924 1.510
68 HA CYS 11 HA CYS 11 -3.521 -3.079 1.172
69 HB2 CYS 11 HB2 CYS 11 -5.245 -1.534 3.079
70 HB3 CYS 11 HB1 CYS 11 -3.491 -1.371 2.986
71 H ARG 12 H ARG 12 -5.717 -4.589 3.326
72 HA ARG 12 HA ARG 12 -3.844 -5.049 5.426
73 HB2 ARG 12 HB2 ARG 12 -6.386 -6.542 4.786
74 HB3 ARG 12 HB1 ARG 12 -5.482 -6.659 6.288
75 HG2 ARG 12 HG2 ARG 12 -6.996 -4.283 5.235
76 HG3 ARG 12 HG1 ARG 12 -7.373 -5.259 6.655
77 HD2 ARG 12 HD2 ARG 12 -5.003 -3.437 6.267
78 HD3 ARG 12 HD1 ARG 12 -6.364 -3.180 7.352
79 HE ARG 12 HE ARG 12 -5.315 -5.565 8.119
80 HH11 ARG 12 HH11 ARG 12 -4.105 -2.248 7.852
81 HH12 ARG 12 HH12 ARG 12 -2.893 -2.448 9.027
82 HH21 ARG 12 HH21 ARG 12 -3.625 -5.855 9.726
83 HH22 ARG 12 HH22 ARG 12 -2.632 -4.537 10.137
84 H ARG 13 H ARG 13 -5.193 -7.119 2.905
85 HA ARG 13 HA ARG 13 -3.529 -9.319 3.406
86 HB2 ARG 13 HB2 ARG 13 -5.624 -9.442 2.147
87 HB3 ARG 13 HB1 ARG 13 -4.938 -8.450 0.879
88 HG2 ARG 13 HG2 ARG 13 -3.394 -10.213 0.288
89 HG3 ARG 13 HG1 ARG 13 -3.971 -11.188 1.646
90 HD2 ARG 13 HD2 ARG 13 -4.994 -11.871 -0.498
91 HD3 ARG 13 HD1 ARG 13 -6.178 -11.309 0.683
92 HE ARG 13 HE ARG 13 -5.151 -9.474 -1.347
93 HH11 ARG 13 HH11 ARG 13 -7.899 -11.290 -0.036
94 HH12 ARG 13 HH12 ARG 13 -9.079 -10.388 -0.861
95 HH21 ARG 13 HH21 ARG 13 -6.787 -8.264 -2.530
96 HH22 ARG 13 HH22 ARG 13 -8.428 -8.679 -2.331
97 H SER 14 H SER 14 -3.128 -6.490 1.318
98 HA SER 14 HA SER 14 -0.758 -7.323 0.049
99 HB2 SER 14 HB2 SER 14 -1.708 -4.524 0.692
100 HB3 SER 14 HB1 SER 14 -0.437 -4.922 -0.466
101 HG SER 14 HG SER 14 -3.201 -5.262 -0.646
102 H LEU 15 H LEU 15 -1.340 -5.830 3.161
103 HA LEU 15 HA LEU 15 1.361 -5.255 3.777
104 HB2 LEU 15 HB2 LEU 15 -0.584 -4.198 4.887
105 HB3 LEU 15 HB1 LEU 15 -1.003 -5.740 5.594
106 HG LEU 15 HG LEU 15 1.127 -5.698 6.866
107 HD11 LEU 15 HD11 LEU 15 1.363 -2.910 5.744
108 HD12 LEU 15 HD12 LEU 15 2.398 -4.287 5.375
109 HD13 LEU 15 HD13 LEU 15 2.383 -3.612 7.006
110 HD21 LEU 15 HD21 LEU 15 -0.663 -3.306 7.247
111 HD22 LEU 15 HD22 LEU 15 0.419 -3.991 8.462
112 HD23 LEU 15 HD23 LEU 15 -0.954 -4.931 7.869
113 H ARG 16 H ARG 16 -0.809 -7.944 4.329
114 HA ARG 16 HA ARG 16 0.942 -9.476 5.956
115 HB2 ARG 16 HB2 ARG 16 -1.366 -10.435 4.268
116 HB3 ARG 16 HB1 ARG 16 -0.623 -11.285 5.616
117 HG2 ARG 16 HG2 ARG 16 -2.150 -8.688 5.790
118 HG3 ARG 16 HG1 ARG 16 -2.754 -10.275 6.256
119 HD2 ARG 16 HD2 ARG 16 -0.378 -8.889 7.497
120 HD3 ARG 16 HD1 ARG 16 -2.001 -8.913 8.177
121 HE ARG 16 HE ARG 16 -1.380 -11.510 7.746
122 HH11 ARG 16 HH11 ARG 16 0.105 -8.871 9.612
123 HH12 ARG 16 HH12 ARG 16 0.708 -9.867 10.839
124 HH21 ARG 16 HH21 ARG 16 -0.560 -12.903 9.499
125 HH22 ARG 16 HH22 ARG 16 0.314 -12.220 10.784
126 H ASN 17 H ASN 17 0.398 -9.277 2.506
127 HA ASN 17 HA ASN 17 1.864 -11.620 1.763
128 HB2 ASN 17 HB2 ASN 17 1.309 -9.136 0.151
129 HB3 ASN 17 HB1 ASN 17 2.036 -10.598 -0.479
130 HD21 ASN 17 HD21 ASN 17 -0.241 -9.227 -1.282
131 HD22 ASN 17 HD22 ASN 17 -1.588 -10.325 -1.191
132 H GLY 18 H GLY 18 2.608 -8.278 2.150
133 HA2 GLY 18 HA2 GLY 18 4.898 -7.717 2.885
134 HA3 GLY 18 HA1 GLY 18 5.444 -8.940 1.754
135 H ASP 19 H ASP 19 2.850 -7.310 0.464
136 HA ASP 19 HA ASP 19 4.384 -6.180 -1.647
137 HB2 ASP 19 HB2 ASP 19 1.487 -5.734 -0.880
138 HB3 ASP 19 HB1 ASP 19 2.223 -5.108 -2.346
139 H CYS 20 H CYS 20 2.907 -4.966 1.227
140 HA CYS 20 HA CYS 20 3.327 -2.187 0.698
141 HB2 CYS 20 HB2 CYS 20 1.505 -2.928 2.111
142 HB3 CYS 20 HB1 CYS 20 2.615 -3.747 3.184
143 H ASP 21 H ASP 21 5.331 -4.701 1.697
144 HA ASP 21 HA ASP 21 7.287 -2.836 2.854
145 HB2 ASP 21 HB2 ASP 21 6.689 -4.616 4.391
146 HB3 ASP 21 HB1 ASP 21 6.990 -5.838 3.168
147 H ASN 22 H ASN 22 6.530 -4.276 0.028
148 HA ASN 22 HA ASN 22 9.140 -5.165 -0.803
149 HB2 ASN 22 HB2 ASN 22 7.104 -6.234 -1.713
150 HB3 ASN 22 HB1 ASN 22 6.613 -4.705 -2.419
151 HD21 ASN 22 HD21 ASN 22 7.156 -7.313 -3.626
152 HD22 ASN 22 HD22 ASN 22 8.354 -7.033 -4.840
153 H ASP 23 H ASP 23 10.654 -3.907 -1.373
154 HA ASP 23 HA ASP 23 10.530 -1.125 -1.329
155 HB2 ASP 23 HB2 ASP 23 12.687 -2.805 -2.615
156 HB3 ASP 23 HB1 ASP 23 12.835 -1.124 -2.131
157 H ASP 24 H ASP 24 10.588 -3.315 -4.115
158 HA ASP 24 HA ASP 24 10.813 -1.255 -6.054
159 HB2 ASP 24 HB2 ASP 24 11.390 -3.590 -6.590
160 HB3 ASP 24 HB1 ASP 24 9.704 -4.053 -6.395
161 H LYS 25 H LYS 25 8.116 -2.667 -4.390
162 HA LYS 25 HA LYS 25 6.233 -1.357 -6.178
163 HB2 LYS 25 HB2 LYS 25 5.752 -3.160 -3.838
164 HB3 LYS 25 HB1 LYS 25 4.536 -2.563 -4.961
165 HG2 LYS 25 HG2 LYS 25 5.586 -3.730 -6.776
166 HG3 LYS 25 HG1 LYS 25 6.877 -4.281 -5.705
167 HD2 LYS 25 HD2 LYS 25 5.375 -6.062 -5.903
168 HD3 LYS 25 HD1 LYS 25 5.173 -5.290 -4.318
169 HE2 LYS 25 HE2 LYS 25 3.144 -4.235 -4.925
170 HE3 LYS 25 HE1 LYS 25 3.388 -4.567 -6.638
171 HZ1 LYS 25 HZ1 LYS 25 3.009 -6.892 -6.212
172 HZ2 LYS 25 HZ2 LYS 25 1.706 -6.000 -5.669
173 HZ3 LYS 25 HZ3 LYS 25 2.790 -6.638 -4.558
174 H LEU 26 H LEU 26 7.888 -0.586 -3.460
175 HA LEU 26 HA LEU 26 6.084 0.531 -1.715
176 HB2 LEU 26 HB2 LEU 26 8.854 1.459 -2.322
177 HB3 LEU 26 HB1 LEU 26 7.861 2.287 -1.139
178 HG LEU 26 HG LEU 26 8.677 -0.611 -1.022
179 HD11 LEU 26 HD11 LEU 26 9.596 1.783 0.570
180 HD12 LEU 26 HD12 LEU 26 10.546 0.929 -0.643
181 HD13 LEU 26 HD13 LEU 26 10.086 0.113 0.853
182 HD21 LEU 26 HD21 LEU 26 6.530 -0.268 0.044
183 HD22 LEU 26 HD22 LEU 26 7.164 1.116 0.929
184 HD23 LEU 26 HD23 LEU 26 7.772 -0.503 1.273
185 H LEU 27 H LEU 27 7.301 2.298 -4.582
186 HA LEU 27 HA LEU 27 6.043 4.713 -4.047
187 HB2 LEU 27 HB2 LEU 27 7.656 4.538 -5.777
188 HB3 LEU 27 HB1 LEU 27 6.751 3.264 -6.573
189 HG LEU 27 HG LEU 27 4.960 4.890 -6.851
190 HD11 LEU 27 HD11 LEU 27 7.145 6.885 -6.234
191 HD12 LEU 27 HD12 LEU 27 5.645 6.647 -5.337
192 HD13 LEU 27 HD13 LEU 27 5.599 7.300 -6.975
193 HD21 LEU 27 HD21 LEU 27 6.222 4.099 -8.635
194 HD22 LEU 27 HD22 LEU 27 7.540 5.239 -8.320
195 HD23 LEU 27 HD23 LEU 27 5.966 5.827 -8.901
196 H GLU 28 H GLU 28 5.003 1.825 -5.740
197 HA GLU 28 HA GLU 28 2.466 2.701 -6.583
198 HB2 GLU 28 HB2 GLU 28 3.631 0.791 -7.563
199 HB3 GLU 28 HB1 GLU 28 3.531 -0.074 -6.039
200 HG2 GLU 28 HG2 GLU 28 1.143 -0.192 -6.232
201 HG3 GLU 28 HG1 GLU 28 1.185 0.763 -7.722
202 H MET 29 H MET 29 3.706 1.288 -3.723
203 HA MET 29 HA MET 29 1.117 0.699 -2.597
204 HB2 MET 29 HB2 MET 29 3.869 0.597 -1.376
205 HB3 MET 29 HB1 MET 29 2.409 0.125 -0.525
206 HG2 MET 29 HG2 MET 29 3.585 -1.155 -2.980
207 HG3 MET 29 HG1 MET 29 3.507 -1.844 -1.363
208 HE1 MET 29 HE1 MET 29 -0.442 -2.147 -0.968
209 HE2 MET 29 HE2 MET 29 0.490 -0.667 -0.728
210 HE3 MET 29 3HE MET 29 1.117 -2.201 -0.127
211 H GLY 30 H GLY 30 3.231 3.245 -2.735
212 HA2 GLY 30 HA2 GLY 30 2.405 4.702 -0.445
213 HA3 GLY 30 HA1 GLY 30 3.247 5.376 -1.830
214 H TYR 31 H TYR 31 1.055 4.284 -3.586
215 HA TYR 31 HA TYR 31 -0.867 6.287 -2.802
216 HB2 TYR 31 HB2 TYR 31 -1.728 6.290 -5.170
217 HB3 TYR 31 HB1 TYR 31 -0.132 6.952 -4.846
218 HD1 TYR 31 HD1 TYR 31 1.774 6.130 -5.944
219 HD2 TYR 31 HD2 TYR 31 -1.938 4.105 -6.296
220 HE1 TYR 31 HE1 TYR 31 2.678 4.845 -7.764
221 HE2 TYR 31 HE2 TYR 31 -1.053 2.787 -8.125
222 HH TYR 31 HH TYR 31 0.726 3.078 -9.840
223 H TYR 32 H TYR 32 -0.633 3.027 -3.718
224 HA TYR 32 HA TYR 32 -3.405 2.524 -3.469
225 HB2 TYR 32 HB2 TYR 32 -1.058 0.661 -3.416
226 HB3 TYR 32 HB1 TYR 32 -2.635 0.057 -2.949
227 HD1 TYR 32 HD1 TYR 32 -0.483 0.778 -5.644
228 HD2 TYR 32 HD2 TYR 32 -4.558 0.438 -4.575
229 HE1 TYR 32 HE1 TYR 32 -1.068 0.470 -8.011
230 HE2 TYR 32 HE2 TYR 32 -5.174 0.136 -6.908
231 HH TYR 32 HH TYR 32 -2.788 -0.443 -9.330
232 H CYS 33 H CYS 33 -0.814 2.266 -1.032
233 HA CYS 33 HA CYS 33 -2.948 2.394 0.941
234 HB2 CYS 33 HB2 CYS 33 -0.707 0.375 1.095
235 HB3 CYS 33 HB1 CYS 33 -2.063 0.587 2.203
236 HA PRO 34 HA PRO 34 0.846 5.171 1.691
237 HB2 PRO 34 HB2 PRO 34 -0.625 7.408 2.284
238 HB3 PRO 34 HB1 PRO 34 -0.040 7.018 0.663
239 HG2 PRO 34 HG2 PRO 34 -2.731 6.502 1.872
240 HG3 PRO 34 HG1 PRO 34 -2.346 7.155 0.274
241 HD2 PRO 34 HD2 PRO 34 -3.030 4.619 0.556
242 HD3 PRO 34 HD1 PRO 34 -1.729 5.071 -0.561
243 H VAL 35 H VAL 35 -2.159 4.570 3.293
244 HA VAL 35 HA VAL 35 -1.263 5.696 5.764
245 HB VAL 35 HB VAL 35 -3.828 4.248 5.103
246 HG11 VAL 35 HG11 VAL 35 -3.058 5.897 7.499
247 HG12 VAL 35 HG12 VAL 35 -3.288 4.149 7.478
248 HG13 VAL 35 3HG1 VAL 35 -4.661 5.225 7.187
249 HG21 VAL 35 HG21 VAL 35 -3.199 7.179 5.348
250 HG22 VAL 35 HG22 VAL 35 -4.799 6.492 5.020
251 HG23 VAL 35 HG23 VAL 35 -3.479 6.300 3.855
252 H THR 36 H THR 36 -2.166 2.552 4.478
253 HA THR 36 HA THR 36 -1.662 0.975 6.731
254 HB THR 36 HB THR 36 -1.231 0.145 3.869
255 HG1 THR 36 HG1 THR 36 -3.294 1.142 4.140
256 HG21 THR 36 HG21 THR 36 -0.518 -1.513 5.526
257 HG22 THR 36 HG22 THR 36 -1.965 -2.069 4.687
258 HG23 THR 36 HG23 THR 36 -2.088 -1.415 6.319
259 H CYS 37 H CYS 37 0.535 1.904 4.084
260 HA CYS 37 HA CYS 37 2.728 0.498 5.248
261 HB2 CYS 37 HB2 CYS 37 2.607 2.464 2.983
262 HB3 CYS 37 HB1 CYS 37 4.048 1.535 3.409
263 H GLY 38 H GLY 38 1.315 3.417 6.008
264 HA2 GLY 38 HA2 GLY 38 1.874 4.827 7.720
265 HA3 GLY 38 HA1 GLY 38 3.360 3.923 7.922
266 H PHE 39 H PHE 39 2.294 5.634 5.012
267 HA PHE 39 HA PHE 39 4.740 7.177 4.964
268 HB2 PHE 39 HB2 PHE 39 2.240 7.282 3.251
269 HB3 PHE 39 HB1 PHE 39 3.625 8.328 2.996
270 HD1 PHE 39 HD1 PHE 39 2.388 4.890 2.824
271 HD2 PHE 39 HD2 PHE 39 5.592 7.527 1.953
272 HE1 PHE 39 HE1 PHE 39 3.417 3.172 1.339
273 HE2 PHE 39 HE2 PHE 39 6.618 5.837 0.499
274 HZ PHE 39 HZ PHE 39 5.527 3.656 0.193
275 HA CYS 40 HA CYS 40 1.972 10.003 7.254
276 HB2 CYS 40 HB2 CYS 40 -0.255 10.823 6.144
277 HB3 CYS 40 HB1 CYS 40 1.270 11.000 5.274
278 HN1 NH2 41 H1 CYS 40 1.634 8.817 9.109
279 HN2 NH2 41 H2 CYS 40 0.115 8.116 9.543
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 -2.451 15.829 0.278
2 H2 GLU 1 HT2 GLU 1 -3.362 17.117 0.824
3 H3 GLU 1 HT3 GLU 1 -2.993 17.002 -0.799
4 HA GLU 1 HA GLU 1 -5.260 16.378 -0.340
5 HB2 GLU 1 HB2 GLU 1 -5.247 14.123 -1.382
6 HB3 GLU 1 HB1 GLU 1 -4.254 15.284 -2.258
7 HG2 GLU 1 HG2 GLU 1 -2.257 14.275 -1.259
8 HG3 GLU 1 HG1 GLU 1 -3.276 13.134 -0.378
9 H HIS 2 H HIS 2 -6.425 14.152 0.304
10 HA HIS 2 HA HIS 2 -5.790 13.829 3.104
11 HB2 HIS 2 HB2 HIS 2 -8.150 14.168 2.532
12 HB3 HIS 2 HB1 HIS 2 -8.108 12.786 1.447
13 HD1 HIS 2 HD1 HIS 2 -9.357 10.888 2.512
14 HD2 HIS 2 HD2 HIS 2 -7.188 13.088 5.284
15 HE1 HIS 2 HE1 HIS 2 -9.682 9.741 4.721
16 H CYS 3 H CYS 3 -4.339 12.375 3.580
17 HA CYS 3 HA CYS 3 -3.638 10.252 1.837
18 HB2 CYS 3 HB2 CYS 3 -2.118 9.544 3.662
19 HB3 CYS 3 HB1 CYS 3 -1.928 11.239 3.233
20 H ALA 4 H ALA 4 -5.050 8.678 1.492
21 HA ALA 4 HA ALA 4 -6.008 7.184 3.800
22 HB1 ALA 4 HB1 ALA 4 -7.746 8.071 1.509
23 HB2 ALA 4 HB2 ALA 4 -7.838 8.683 3.164
24 HB3 ALA 4 HB3 ALA 4 -8.225 6.995 2.815
25 H ASP 5 H ASP 5 -6.107 5.054 3.450
26 HA ASP 5 HA ASP 5 -4.741 3.872 1.262
27 HB2 ASP 5 HB2 ASP 5 -6.757 2.536 3.076
28 HB3 ASP 5 HB1 ASP 5 -5.536 1.736 2.105
29 H GLU 6 H GLU 6 -5.481 2.905 -0.551
30 HA GLU 6 HA GLU 6 -7.838 4.017 -1.655
31 HB2 GLU 6 HB2 GLU 6 -5.496 2.982 -2.697
32 HB3 GLU 6 HB1 GLU 6 -6.681 1.767 -3.139
33 HG2 GLU 6 HG2 GLU 6 -6.738 4.697 -3.843
34 HG3 GLU 6 HG1 GLU 6 -6.470 3.335 -4.925
35 H LYS 7 H LYS 7 -9.606 2.966 -2.446
36 HA LYS 7 HA LYS 7 -10.619 0.905 -0.690
37 HB2 LYS 7 HB2 LYS 7 -12.779 1.465 -1.623
38 HB3 LYS 7 HB1 LYS 7 -11.920 2.912 -1.120
39 HG2 LYS 7 HG2 LYS 7 -11.203 3.146 -3.548
40 HG3 LYS 7 HG1 LYS 7 -12.405 1.910 -3.907
41 HD2 LYS 7 HD2 LYS 7 -13.532 3.935 -4.245
42 HD3 LYS 7 HD1 LYS 7 -14.014 3.356 -2.638
43 HE2 LYS 7 HE2 LYS 7 -13.542 5.760 -2.593
44 HE3 LYS 7 HE1 LYS 7 -12.410 4.868 -1.581
45 HZ1 LYS 7 HZ1 LYS 7 -11.301 6.543 -2.880
46 HZ2 LYS 7 HZ2 LYS 7 -11.888 5.896 -4.316
47 HZ3 LYS 7 HZ3 LYS 7 -10.757 5.036 -3.414
48 H ASN 8 H ASN 8 -9.519 1.186 -3.894
49 HA ASN 8 HA ASN 8 -10.721 -1.374 -4.705
50 HB2 ASN 8 HB2 ASN 8 -9.095 0.590 -6.340
51 HB3 ASN 8 HB1 ASN 8 -9.797 -0.894 -6.964
52 HD21 ASN 8 HD21 ASN 8 -10.375 2.312 -5.898
53 HD22 ASN 8 HD22 ASN 8 -12.016 2.437 -6.450
54 H PHE 9 H PHE 9 -8.167 -0.536 -3.028
55 HA PHE 9 HA PHE 9 -6.434 -2.650 -4.144
56 HB2 PHE 9 HB2 PHE 9 -5.669 -0.208 -4.303
57 HB3 PHE 9 HB1 PHE 9 -5.543 -0.276 -2.545
58 HD1 PHE 9 HD1 PHE 9 -4.440 -1.876 -5.644
59 HD2 PHE 9 HD2 PHE 9 -3.689 -1.219 -1.531
60 HE1 PHE 9 HE1 PHE 9 -2.285 -2.907 -5.902
61 HE2 PHE 9 HE2 PHE 9 -1.489 -2.250 -1.761
62 HZ PHE 9 HZ PHE 9 -0.753 -3.085 -3.931
63 H ASP 10 H ASP 10 -5.843 -4.174 -2.607
64 HA ASP 10 HA ASP 10 -7.204 -3.836 -0.050
65 HB2 ASP 10 HB2 ASP 10 -7.436 -5.977 -1.438
66 HB3 ASP 10 HB1 ASP 10 -5.791 -6.346 -0.922
67 H CYS 11 H CYS 11 -6.067 -2.771 1.311
68 HA CYS 11 HA CYS 11 -3.232 -2.690 1.265
69 HB2 CYS 11 HB2 CYS 11 -5.246 -1.485 3.135
70 HB3 CYS 11 HB1 CYS 11 -3.513 -1.156 3.184
71 H ARG 12 H ARG 12 -5.556 -4.497 3.080
72 HA ARG 12 HA ARG 12 -3.751 -5.071 5.249
73 HB2 ARG 12 HB2 ARG 12 -6.254 -6.565 4.447
74 HB3 ARG 12 HB1 ARG 12 -5.419 -6.694 5.984
75 HG2 ARG 12 HG2 ARG 12 -6.849 -4.263 4.929
76 HG3 ARG 12 HG1 ARG 12 -7.427 -5.364 6.176
77 HD2 ARG 12 HD2 ARG 12 -5.544 -4.698 7.618
78 HD3 ARG 12 HD1 ARG 12 -4.964 -3.609 6.357
79 HE ARG 12 HE ARG 12 -7.678 -3.224 7.295
80 HH11 ARG 12 HH11 ARG 12 -4.318 -2.193 7.676
81 HH12 ARG 12 HH12 ARG 12 -4.687 -0.604 8.165
82 HH21 ARG 12 HH21 ARG 12 -8.202 -1.033 8.002
83 HH22 ARG 12 HH22 ARG 12 -6.952 0.074 8.334
84 H ARG 13 H ARG 13 -4.925 -6.745 2.395
85 HA ARG 13 HA ARG 13 -3.498 -9.136 2.627
86 HB2 ARG 13 HB2 ARG 13 -5.337 -8.632 1.036
87 HB3 ARG 13 HB1 ARG 13 -4.219 -7.636 0.126
88 HG2 ARG 13 HG2 ARG 13 -2.834 -9.614 -0.301
89 HG3 ARG 13 HG1 ARG 13 -4.009 -10.597 0.572
90 HD2 ARG 13 HD2 ARG 13 -4.509 -8.983 -1.910
91 HD3 ARG 13 HD1 ARG 13 -4.439 -10.743 -1.787
92 HE ARG 13 HE ARG 13 -6.344 -10.122 -0.035
93 HH11 ARG 13 HH11 ARG 13 -5.871 -9.183 -3.416
94 HH12 ARG 13 HH12 ARG 13 -7.519 -9.057 -3.772
95 HH21 ARG 13 HH21 ARG 13 -8.682 -9.889 -0.518
96 HH22 ARG 13 HH22 ARG 13 -9.139 -9.467 -2.097
97 H SER 14 H SER 14 -2.699 -6.114 0.989
98 HA SER 14 HA SER 14 -0.203 -6.877 -0.007
99 HB2 SER 14 HB2 SER 14 -1.173 -4.119 0.754
100 HB3 SER 14 HB1 SER 14 0.196 -4.470 -0.304
101 HG SER 14 HG SER 14 -2.555 -4.785 -0.763
102 H LEU 15 H LEU 15 -1.105 -5.614 3.143
103 HA LEU 15 HA LEU 15 1.575 -5.173 3.952
104 HB2 LEU 15 HB2 LEU 15 -0.316 -4.022 4.979
105 HB3 LEU 15 HB1 LEU 15 -0.904 -5.543 5.607
106 HG LEU 15 HG LEU 15 1.066 -5.758 7.033
107 HD11 LEU 15 HD11 LEU 15 2.653 -3.912 7.242
108 HD12 LEU 15 HD12 LEU 15 1.840 -3.070 5.916
109 HD13 LEU 15 HD13 LEU 15 2.659 -4.604 5.617
110 HD21 LEU 15 HD21 LEU 15 -0.255 -3.072 7.280
111 HD22 LEU 15 HD22 LEU 15 0.536 -3.982 8.576
112 HD23 LEU 15 HD23 LEU 15 -0.930 -4.607 7.817
113 H ARG 16 H ARG 16 -0.730 -7.775 4.424
114 HA ARG 16 HA ARG 16 0.966 -9.312 6.100
115 HB2 ARG 16 HB2 ARG 16 -1.462 -10.120 4.532
116 HB3 ARG 16 HB1 ARG 16 -0.665 -11.135 5.727
117 HG2 ARG 16 HG2 ARG 16 -1.133 -9.477 7.455
118 HG3 ARG 16 HG1 ARG 16 -1.909 -8.444 6.256
119 HD2 ARG 16 HD2 ARG 16 -2.776 -11.192 7.099
120 HD3 ARG 16 HD1 ARG 16 -3.571 -9.673 7.518
121 HE ARG 16 HE ARG 16 -3.329 -10.691 4.775
122 HH11 ARG 16 HH11 ARG 16 -5.300 -9.150 7.300
123 HH12 ARG 16 HH12 ARG 16 -6.679 -9.041 6.321
124 HH21 ARG 16 HH21 ARG 16 -5.233 -10.548 3.465
125 HH22 ARG 16 HH22 ARG 16 -6.630 -9.819 4.090
126 H ASN 17 H ASN 17 0.445 -9.302 2.646
127 HA ASN 17 HA ASN 17 2.061 -11.658 2.234
128 HB2 ASN 17 HB2 ASN 17 0.928 -9.637 0.334
129 HB3 ASN 17 HB1 ASN 17 2.094 -10.835 -0.206
130 HD21 ASN 17 HD21 ASN 17 -1.086 -10.280 0.956
131 HD22 ASN 17 HD22 ASN 17 -1.721 -11.836 0.553
132 H GLY 18 H GLY 18 2.659 -8.306 2.470
133 HA2 GLY 18 HA2 GLY 18 4.877 -7.617 3.087
134 HA3 GLY 18 HA1 GLY 18 5.506 -8.935 2.113
135 H ASP 19 H ASP 19 3.000 -7.482 0.533
136 HA ASP 19 HA ASP 19 4.611 -6.390 -1.546
137 HB2 ASP 19 HB2 ASP 19 1.675 -5.978 -0.907
138 HB3 ASP 19 HB1 ASP 19 2.453 -5.318 -2.337
139 H CYS 20 H CYS 20 3.006 -5.151 1.214
140 HA CYS 20 HA CYS 20 3.189 -2.399 0.870
141 HB2 CYS 20 HB2 CYS 20 1.883 -3.383 2.629
142 HB3 CYS 20 HB1 CYS 20 3.320 -4.089 3.353
143 H ASP 21 H ASP 21 5.619 -4.709 1.778
144 HA ASP 21 HA ASP 21 7.540 -2.585 2.448
145 HB2 ASP 21 HB2 ASP 21 7.203 -4.182 4.223
146 HB3 ASP 21 HB1 ASP 21 7.440 -5.528 3.122
147 H ASN 22 H ASN 22 6.674 -4.578 -0.078
148 HA ASN 22 HA ASN 22 9.311 -5.418 -0.879
149 HB2 ASN 22 HB2 ASN 22 7.339 -6.834 -1.364
150 HB3 ASN 22 HB1 ASN 22 6.714 -5.577 -2.426
151 HD21 ASN 22 HD21 ASN 22 6.742 -7.084 -4.117
152 HD22 ASN 22 HD22 ASN 22 8.195 -7.521 -4.936
153 H ASP 23 H ASP 23 10.631 -4.551 -2.277
154 HA ASP 23 HA ASP 23 10.673 -1.816 -2.628
155 HB2 ASP 23 HB2 ASP 23 12.685 -3.158 -2.714
156 HB3 ASP 23 HB1 ASP 23 12.178 -3.877 -4.238
157 H ASP 24 H ASP 24 9.817 -4.232 -5.075
158 HA ASP 24 HA ASP 24 9.355 -2.440 -7.195
159 HB2 ASP 24 HB2 ASP 24 9.573 -4.816 -7.604
160 HB3 ASP 24 HB1 ASP 24 8.114 -5.150 -6.679
161 H LYS 25 H LYS 25 7.447 -3.038 -4.411
162 HA LYS 25 HA LYS 25 5.047 -2.058 -5.776
163 HB2 LYS 25 HB2 LYS 25 5.219 -3.236 -3.006
164 HB3 LYS 25 HB1 LYS 25 3.778 -2.972 -3.974
165 HG2 LYS 25 HG2 LYS 25 5.951 -4.973 -4.465
166 HG3 LYS 25 HG1 LYS 25 4.304 -5.291 -3.921
167 HD2 LYS 25 HD2 LYS 25 3.441 -4.460 -6.032
168 HD3 LYS 25 HD1 LYS 25 5.085 -4.092 -6.566
169 HE2 LYS 25 HE2 LYS 25 5.631 -6.485 -6.215
170 HE3 LYS 25 HE1 LYS 25 3.908 -6.765 -5.947
171 HZ1 LYS 25 HZ1 LYS 25 3.465 -5.897 -8.151
172 HZ2 LYS 25 HZ2 LYS 25 4.506 -7.215 -8.244
173 HZ3 LYS 25 HZ3 LYS 25 5.127 -5.638 -8.392
174 H LEU 26 H LEU 26 7.522 -1.028 -3.711
175 HA LEU 26 HA LEU 26 6.296 0.419 -1.751
176 HB2 LEU 26 HB2 LEU 26 8.914 0.972 -3.089
177 HB3 LEU 26 HB1 LEU 26 8.351 1.862 -1.690
178 HG LEU 26 HG LEU 26 8.877 -1.109 -1.788
179 HD11 LEU 26 HD11 LEU 26 10.917 0.218 -1.861
180 HD12 LEU 26 HD12 LEU 26 10.743 -0.593 -0.304
181 HD13 LEU 26 HD13 LEU 26 10.381 1.128 -0.448
182 HD21 LEU 26 HD21 LEU 26 8.038 0.683 0.486
183 HD22 LEU 26 HD22 LEU 26 8.565 -0.990 0.654
184 HD23 LEU 26 HD23 LEU 26 7.088 -0.622 -0.232
185 H LEU 27 H LEU 27 7.113 1.859 -4.966
186 HA LEU 27 HA LEU 27 6.340 4.432 -4.337
187 HB2 LEU 27 HB2 LEU 27 7.581 3.319 -6.337
188 HB3 LEU 27 HB1 LEU 27 5.967 3.094 -6.964
189 HG LEU 27 HG LEU 27 7.286 4.912 -7.846
190 HD11 LEU 27 HD11 LEU 27 5.399 6.576 -7.894
191 HD12 LEU 27 HD12 LEU 27 4.651 5.687 -6.567
192 HD13 LEU 27 HD13 LEU 27 4.851 4.915 -8.141
193 HD21 LEU 27 HD21 LEU 27 7.411 7.052 -6.618
194 HD22 LEU 27 HD22 LEU 27 8.334 5.747 -5.864
195 HD23 LEU 27 HD23 LEU 27 6.774 6.228 -5.198
196 H GLU 28 H GLU 28 4.612 1.676 -5.627
197 HA GLU 28 HA GLU 28 2.124 2.927 -6.036
198 HB2 GLU 28 HB2 GLU 28 3.018 0.081 -5.830
199 HB3 GLU 28 HB1 GLU 28 1.306 0.430 -5.846
200 HG2 GLU 28 HG2 GLU 28 2.163 -0.160 -8.052
201 HG3 GLU 28 HG1 GLU 28 1.509 1.473 -8.014
202 H MET 29 H MET 29 3.629 1.409 -3.314
203 HA MET 29 HA MET 29 1.244 1.139 -1.793
204 HB2 MET 29 HB2 MET 29 4.119 1.152 -0.871
205 HB3 MET 29 HB1 MET 29 2.749 0.707 0.136
206 HG2 MET 29 HG2 MET 29 3.858 -0.716 -2.257
207 HG3 MET 29 HG1 MET 29 3.791 -1.296 -0.602
208 HE1 MET 29 HE1 MET 29 0.744 -0.122 -0.084
209 HE2 MET 29 HE2 MET 29 1.299 -1.638 0.627
210 HE3 MET 29 3HE MET 29 -0.218 -1.587 -0.281
211 H GLY 30 H GLY 30 3.452 3.630 -2.392
212 HA2 GLY 30 HA2 GLY 30 2.937 5.232 -0.098
213 HA3 GLY 30 HA1 GLY 30 3.651 5.820 -1.584
214 H TYR 31 H TYR 31 1.254 4.796 -3.091
215 HA TYR 31 HA TYR 31 -0.517 6.903 -2.198
216 HB2 TYR 31 HB2 TYR 31 -1.432 7.049 -4.516
217 HB3 TYR 31 HB1 TYR 31 0.223 7.584 -4.241
218 HD1 TYR 31 HD1 TYR 31 1.971 6.737 -5.493
219 HD2 TYR 31 HD2 TYR 31 -1.800 4.828 -5.651
220 HE1 TYR 31 HE1 TYR 31 2.736 5.455 -7.379
221 HE2 TYR 31 HE2 TYR 31 -1.056 3.512 -7.554
222 HH TYR 31 HH TYR 31 2.238 3.382 -8.554
223 H TYR 32 H TYR 32 -0.467 3.659 -3.217
224 HA TYR 32 HA TYR 32 -3.277 3.312 -3.036
225 HB2 TYR 32 HB2 TYR 32 -1.064 1.268 -3.038
226 HB3 TYR 32 HB1 TYR 32 -2.718 0.797 -2.753
227 HD1 TYR 32 HD1 TYR 32 -0.419 0.678 -5.103
228 HD2 TYR 32 HD2 TYR 32 -4.304 2.271 -4.597
229 HE1 TYR 32 HE1 TYR 32 -0.787 0.523 -7.535
230 HE2 TYR 32 HE2 TYR 32 -4.704 2.136 -6.995
231 HH TYR 32 HH TYR 32 -3.420 2.035 -9.061
232 H CYS 33 H CYS 33 -0.712 2.700 -0.633
233 HA CYS 33 HA CYS 33 -2.881 2.758 1.310
234 HB2 CYS 33 HB2 CYS 33 -0.695 0.680 1.395
235 HB3 CYS 33 HB1 CYS 33 -2.064 0.850 2.488
236 HA PRO 34 HA PRO 34 0.781 5.382 2.402
237 HB2 PRO 34 HB2 PRO 34 -0.600 7.618 3.029
238 HB3 PRO 34 HB1 PRO 34 -0.068 7.237 1.385
239 HG2 PRO 34 HG2 PRO 34 -2.752 6.829 2.644
240 HG3 PRO 34 HG1 PRO 34 -2.372 7.477 1.045
241 HD2 PRO 34 HD2 PRO 34 -3.146 4.943 1.418
242 HD3 PRO 34 HD1 PRO 34 -1.985 5.385 0.149
243 H VAL 35 H VAL 35 -2.240 4.641 3.850
244 HA VAL 35 HA VAL 35 -1.426 5.581 6.433
245 HB VAL 35 HB VAL 35 -3.967 4.177 5.619
246 HG11 VAL 35 HG11 VAL 35 -4.842 5.051 7.731
247 HG12 VAL 35 HG12 VAL 35 -3.245 5.724 8.092
248 HG13 VAL 35 3HG1 VAL 35 -3.461 3.979 7.998
249 HG21 VAL 35 HG21 VAL 35 -3.336 7.084 6.014
250 HG22 VAL 35 HG22 VAL 35 -4.930 6.421 5.606
251 HG23 VAL 35 HG23 VAL 35 -3.565 6.269 4.479
252 H THR 36 H THR 36 -2.389 2.503 4.973
253 HA THR 36 HA THR 36 -1.869 0.896 7.205
254 HB THR 36 HB THR 36 -1.808 0.100 4.288
255 HG1 THR 36 HG1 THR 36 -3.787 1.142 5.056
256 HG21 THR 36 HG21 THR 36 -2.308 -1.553 6.772
257 HG22 THR 36 HG22 THR 36 -0.869 -1.631 5.754
258 HG23 THR 36 HG23 THR 36 -2.432 -2.134 5.111
259 H CYS 37 H CYS 37 0.297 1.913 4.614
260 HA CYS 37 HA CYS 37 2.410 0.280 5.714
261 HB2 CYS 37 HB2 CYS 37 2.247 2.031 3.309
262 HB3 CYS 37 HB1 CYS 37 3.742 1.209 3.778
263 H GLY 38 H GLY 38 1.233 3.129 6.676
264 HA2 GLY 38 HA2 GLY 38 2.055 4.599 8.229
265 HA3 GLY 38 HA1 GLY 38 3.528 3.654 8.253
266 H PHE 39 H PHE 39 2.070 5.508 5.598
267 HA PHE 39 HA PHE 39 4.551 7.071 5.387
268 HB2 PHE 39 HB2 PHE 39 2.099 6.967 3.600
269 HB3 PHE 39 HB1 PHE 39 3.487 8.002 3.315
270 HD1 PHE 39 HD1 PHE 39 2.219 4.586 3.253
271 HD2 PHE 39 HD2 PHE 39 5.528 7.116 2.464
272 HE1 PHE 39 HE1 PHE 39 3.300 2.789 1.890
273 HE2 PHE 39 HE2 PHE 39 6.603 5.349 1.144
274 HZ PHE 39 HZ PHE 39 5.480 3.181 0.858
275 HA CYS 40 HA CYS 40 1.467 9.911 7.155
276 HB2 CYS 40 HB2 CYS 40 0.777 10.326 4.802
277 HB3 CYS 40 HB1 CYS 40 -0.605 9.265 5.070
278 HN1 NH2 41 H1 CYS 40 1.011 9.105 9.122
279 HN2 NH2 41 H2 CYS 40 -0.410 8.216 9.533
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 -7.067 18.322 1.475
2 H2 GLU 1 HT2 GLU 1 -5.943 18.031 2.709
3 H3 GLU 1 HT3 GLU 1 -7.492 17.382 2.812
4 HA GLU 1 HA GLU 1 -7.067 15.996 0.907
5 HB2 GLU 1 HB2 GLU 1 -5.381 17.651 -0.074
6 HB3 GLU 1 HB1 GLU 1 -4.255 17.038 1.137
7 HG2 GLU 1 HG2 GLU 1 -3.841 16.003 -0.994
8 HG3 GLU 1 HG1 GLU 1 -4.405 14.820 0.192
9 H HIS 2 H HIS 2 -7.360 14.267 2.294
10 HA HIS 2 HA HIS 2 -5.208 13.839 4.219
11 HB2 HIS 2 HB2 HIS 2 -6.695 12.427 5.531
12 HB3 HIS 2 HB1 HIS 2 -7.528 13.929 5.197
13 HD1 HIS 2 HD1 HIS 2 -8.005 10.315 5.119
14 HD2 HIS 2 HD2 HIS 2 -9.540 13.567 3.033
15 HE1 HIS 2 HE1 HIS 2 -10.122 9.522 4.052
16 H CYS 3 H CYS 3 -3.746 12.416 3.716
17 HA CYS 3 HA CYS 3 -3.940 10.735 1.483
18 HB2 CYS 3 HB2 CYS 3 -1.889 9.629 2.331
19 HB3 CYS 3 HB1 CYS 3 -1.747 11.376 2.390
20 H ALA 4 H ALA 4 -4.952 8.860 1.198
21 HA ALA 4 HA ALA 4 -5.700 7.317 3.546
22 HB1 ALA 4 HB1 ALA 4 -8.012 7.136 2.778
23 HB2 ALA 4 HB2 ALA 4 -7.659 8.233 1.444
24 HB3 ALA 4 HB3 ALA 4 -7.581 8.814 3.106
25 H ASP 5 H ASP 5 -5.792 5.202 3.206
26 HA ASP 5 HA ASP 5 -4.565 4.031 0.973
27 HB2 ASP 5 HB2 ASP 5 -6.455 2.719 2.934
28 HB3 ASP 5 HB1 ASP 5 -5.416 1.865 1.807
29 H GLU 6 H GLU 6 -5.352 2.895 -0.770
30 HA GLU 6 HA GLU 6 -7.715 3.850 -1.944
31 HB2 GLU 6 HB2 GLU 6 -5.733 3.243 -3.249
32 HB3 GLU 6 HB1 GLU 6 -5.846 1.586 -2.696
33 HG2 GLU 6 HG2 GLU 6 -6.600 1.908 -4.988
34 HG3 GLU 6 HG1 GLU 6 -7.864 1.268 -3.932
35 H LYS 7 H LYS 7 -9.714 2.976 -2.041
36 HA LYS 7 HA LYS 7 -10.323 0.856 -0.180
37 HB2 LYS 7 HB2 LYS 7 -12.670 1.350 -0.646
38 HB3 LYS 7 HB1 LYS 7 -11.766 2.780 -0.181
39 HG2 LYS 7 HG2 LYS 7 -11.652 3.468 -2.525
40 HG3 LYS 7 HG1 LYS 7 -12.538 2.018 -2.986
41 HD2 LYS 7 HD2 LYS 7 -14.093 3.842 -2.884
42 HD3 LYS 7 HD1 LYS 7 -14.352 2.714 -1.540
43 HE2 LYS 7 HE2 LYS 7 -14.530 5.087 -0.837
44 HE3 LYS 7 HE1 LYS 7 -13.271 4.208 0.016
45 HZ1 LYS 7 HZ1 LYS 7 -11.611 5.260 -1.356
46 HZ2 LYS 7 HZ2 LYS 7 -12.580 6.450 -0.703
47 HZ3 LYS 7 HZ3 LYS 7 -12.777 6.004 -2.313
48 H ASN 8 H ASN 8 -9.916 1.256 -3.472
49 HA ASN 8 HA ASN 8 -11.210 -1.234 -4.260
50 HB2 ASN 8 HB2 ASN 8 -9.707 0.900 -5.774
51 HB3 ASN 8 HB1 ASN 8 -10.145 -0.625 -6.533
52 HD21 ASN 8 HD21 ASN 8 -12.239 -1.019 -7.002
53 HD22 ASN 8 HD22 ASN 8 -13.501 0.154 -6.929
54 H PHE 9 H PHE 9 -8.829 -0.968 -2.460
55 HA PHE 9 HA PHE 9 -7.026 -2.984 -3.655
56 HB2 PHE 9 HB2 PHE 9 -6.358 -0.428 -3.759
57 HB3 PHE 9 HB1 PHE 9 -6.096 -0.651 -2.038
58 HD1 PHE 9 HD1 PHE 9 -4.250 0.012 -4.449
59 HD2 PHE 9 HD2 PHE 9 -5.010 -3.475 -2.193
60 HE1 PHE 9 HE1 PHE 9 -2.012 -0.790 -4.966
61 HE2 PHE 9 HE2 PHE 9 -2.818 -4.301 -2.683
62 HZ PHE 9 HZ PHE 9 -1.241 -2.898 -4.103
63 H ASP 10 H ASP 10 -6.659 -4.518 -2.059
64 HA ASP 10 HA ASP 10 -7.517 -3.783 0.655
65 HB2 ASP 10 HB2 ASP 10 -8.519 -5.890 -0.353
66 HB3 ASP 10 HB1 ASP 10 -6.902 -6.583 -0.329
67 H CYS 11 H CYS 11 -5.704 -2.637 1.224
68 HA CYS 11 HA CYS 11 -3.182 -3.877 0.825
69 HB2 CYS 11 HB2 CYS 11 -3.879 -1.252 2.122
70 HB3 CYS 11 HB1 CYS 11 -2.229 -1.846 1.963
71 H ARG 12 H ARG 12 -5.467 -4.307 3.111
72 HA ARG 12 HA ARG 12 -3.863 -4.793 5.399
73 HB2 ARG 12 HB2 ARG 12 -6.439 -6.072 4.474
74 HB3 ARG 12 HB1 ARG 12 -5.717 -6.372 6.042
75 HG2 ARG 12 HG2 ARG 12 -6.712 -3.693 5.073
76 HG3 ARG 12 HG1 ARG 12 -7.636 -4.811 6.066
77 HD2 ARG 12 HD2 ARG 12 -6.776 -3.327 7.635
78 HD3 ARG 12 HD1 ARG 12 -5.641 -4.669 7.690
79 HE ARG 12 HE ARG 12 -4.879 -2.601 5.884
80 HH11 ARG 12 HH11 ARG 12 -4.640 -3.753 9.225
81 HH12 ARG 12 HH12 ARG 12 -3.488 -2.611 9.714
82 HH21 ARG 12 HH21 ARG 12 -3.271 -0.974 6.580
83 HH22 ARG 12 HH22 ARG 12 -2.665 -1.015 8.169
84 H ARG 13 H ARG 13 -5.129 -6.873 2.801
85 HA ARG 13 HA ARG 13 -3.674 -9.187 3.437
86 HB2 ARG 13 HB2 ARG 13 -5.585 -9.264 1.926
87 HB3 ARG 13 HB1 ARG 13 -4.752 -8.236 0.774
88 HG2 ARG 13 HG2 ARG 13 -3.116 -9.986 0.353
89 HG3 ARG 13 HG1 ARG 13 -3.884 -11.017 1.559
90 HD2 ARG 13 HD2 ARG 13 -4.543 -11.627 -0.721
91 HD3 ARG 13 HD1 ARG 13 -5.919 -11.085 0.237
92 HE ARG 13 HE ARG 13 -4.747 -8.961 -1.255
93 HH11 ARG 13 HH11 ARG 13 -6.879 -11.759 -1.647
94 HH12 ARG 13 HH12 ARG 13 -7.802 -11.037 -2.888
95 HH21 ARG 13 HH21 ARG 13 -6.013 -8.009 -2.951
96 HH22 ARG 13 HH22 ARG 13 -7.314 -8.887 -3.643
97 H SER 14 H SER 14 -2.925 -6.509 1.211
98 HA SER 14 HA SER 14 -0.526 -7.464 0.220
99 HB2 SER 14 HB2 SER 14 -1.226 -4.590 0.814
100 HB3 SER 14 HB1 SER 14 -0.095 -5.178 -0.405
101 HG SER 14 HG SER 14 -1.675 -5.554 -1.691
102 H LEU 15 H LEU 15 -1.230 -5.898 3.300
103 HA LEU 15 HA LEU 15 1.534 -5.550 3.981
104 HB2 LEU 15 HB2 LEU 15 -0.294 -4.073 4.791
105 HB3 LEU 15 HB1 LEU 15 -0.913 -5.413 5.727
106 HG LEU 15 HG LEU 15 1.179 -5.453 7.029
107 HD11 LEU 15 HD11 LEU 15 2.745 -3.573 6.840
108 HD12 LEU 15 HD12 LEU 15 1.835 -2.958 5.458
109 HD13 LEU 15 HD13 LEU 15 2.670 -4.504 5.342
110 HD21 LEU 15 HD21 LEU 15 0.724 -3.466 8.304
111 HD22 LEU 15 HD22 LEU 15 -0.800 -4.191 7.776
112 HD23 LEU 15 HD23 LEU 15 -0.161 -2.762 6.956
113 H ARG 16 H ARG 16 -1.048 -7.796 4.792
114 HA ARG 16 HA ARG 16 0.347 -9.388 6.646
115 HB2 ARG 16 HB2 ARG 16 -1.801 -10.200 4.679
116 HB3 ARG 16 HB1 ARG 16 -1.245 -11.198 6.005
117 HG2 ARG 16 HG2 ARG 16 -2.669 -8.551 6.222
118 HG3 ARG 16 HG1 ARG 16 -3.353 -10.144 6.543
119 HD2 ARG 16 HD2 ARG 16 -1.687 -10.435 8.357
120 HD3 ARG 16 HD1 ARG 16 -1.136 -8.786 8.049
121 HE ARG 16 HE ARG 16 -3.933 -8.970 8.525
122 HH11 ARG 16 HH11 ARG 16 -0.786 -8.601 10.048
123 HH12 ARG 16 HH12 ARG 16 -1.380 -8.031 11.540
124 HH21 ARG 16 HH21 ARG 16 -4.801 -8.158 10.605
125 HH22 ARG 16 HH22 ARG 16 -3.710 -7.785 11.857
126 H ASN 17 H ASN 17 0.200 -9.453 3.166
127 HA ASN 17 HA ASN 17 1.784 -11.841 2.930
128 HB2 ASN 17 HB2 ASN 17 0.826 -9.838 0.897
129 HB3 ASN 17 HB1 ASN 17 1.923 -11.139 0.472
130 HD21 ASN 17 HD21 ASN 17 -0.680 -11.517 2.823
131 HD22 ASN 17 HD22 ASN 17 -1.630 -12.572 1.845
132 H GLY 18 H GLY 18 2.414 -8.395 2.340
133 HA2 GLY 18 HA2 GLY 18 4.668 -7.734 3.257
134 HA3 GLY 18 HA1 GLY 18 5.288 -9.083 2.312
135 H ASP 19 H ASP 19 2.877 -7.856 0.544
136 HA ASP 19 HA ASP 19 4.522 -6.738 -1.474
137 HB2 ASP 19 HB2 ASP 19 1.546 -6.536 -1.009
138 HB3 ASP 19 HB1 ASP 19 2.345 -5.868 -2.419
139 H CYS 20 H CYS 20 2.638 -5.394 1.074
140 HA CYS 20 HA CYS 20 2.845 -2.650 0.331
141 HB2 CYS 20 HB2 CYS 20 1.003 -3.474 1.675
142 HB3 CYS 20 HB1 CYS 20 2.118 -4.032 2.903
143 H ASP 21 H ASP 21 5.148 -4.766 1.595
144 HA ASP 21 HA ASP 21 6.666 -2.523 2.759
145 HB2 ASP 21 HB2 ASP 21 6.076 -4.238 4.430
146 HB3 ASP 21 HB1 ASP 21 6.853 -5.468 3.446
147 H ASN 22 H ASN 22 6.422 -4.487 0.165
148 HA ASN 22 HA ASN 22 9.172 -5.147 -0.251
149 HB2 ASN 22 HB2 ASN 22 7.468 -6.616 -1.151
150 HB3 ASN 22 HB1 ASN 22 6.769 -5.299 -2.079
151 HD21 ASN 22 HD21 ASN 22 6.999 -6.525 -3.945
152 HD22 ASN 22 HD22 ASN 22 8.526 -6.757 -4.713
153 H ASP 23 H ASP 23 10.654 -3.882 -0.942
154 HA ASP 23 HA ASP 23 10.435 -1.160 -1.412
155 HB2 ASP 23 HB2 ASP 23 12.634 -2.993 -2.377
156 HB3 ASP 23 HB1 ASP 23 12.718 -1.243 -2.370
157 H ASP 24 H ASP 24 10.507 -3.773 -3.718
158 HA ASP 24 HA ASP 24 10.774 -2.284 -6.071
159 HB2 ASP 24 HB2 ASP 24 11.042 -4.708 -6.040
160 HB3 ASP 24 HB1 ASP 24 9.340 -4.908 -5.653
161 H LYS 25 H LYS 25 7.884 -3.056 -4.207
162 HA LYS 25 HA LYS 25 6.254 -1.782 -6.258
163 HB2 LYS 25 HB2 LYS 25 5.471 -3.525 -3.924
164 HB3 LYS 25 HB1 LYS 25 4.344 -2.788 -5.053
165 HG2 LYS 25 HG2 LYS 25 6.444 -4.834 -5.713
166 HG3 LYS 25 HG1 LYS 25 4.700 -5.097 -5.625
167 HD2 LYS 25 HD2 LYS 25 4.511 -3.278 -7.384
168 HD3 LYS 25 HD1 LYS 25 6.243 -3.434 -7.579
169 HE2 LYS 25 HE2 LYS 25 6.049 -5.771 -8.155
170 HE3 LYS 25 HE1 LYS 25 4.305 -5.706 -7.894
171 HZ1 LYS 25 HZ1 LYS 25 4.123 -4.167 -9.751
172 HZ2 LYS 25 HZ2 LYS 25 4.886 -5.566 -10.266
173 HZ3 LYS 25 HZ3 LYS 25 5.790 -4.185 -9.971
174 H LEU 26 H LEU 26 7.868 -0.731 -3.641
175 HA LEU 26 HA LEU 26 5.907 0.492 -2.090
176 HB2 LEU 26 HB2 LEU 26 8.791 1.201 -2.430
177 HB3 LEU 26 HB1 LEU 26 7.736 2.106 -1.364
178 HG LEU 26 HG LEU 26 8.455 -0.813 -1.124
179 HD11 LEU 26 HD11 LEU 26 10.254 0.734 -0.500
180 HD12 LEU 26 HD12 LEU 26 9.606 -0.116 0.903
181 HD13 LEU 26 HD13 LEU 26 9.151 1.561 0.601
182 HD21 LEU 26 HD21 LEU 26 7.232 -0.708 1.019
183 HD22 LEU 26 HD22 LEU 26 6.181 -0.478 -0.371
184 HD23 LEU 26 HD23 LEU 26 6.672 0.913 0.600
185 H LEU 27 H LEU 27 7.402 1.746 -5.074
186 HA LEU 27 HA LEU 27 6.607 4.339 -4.949
187 HB2 LEU 27 HB2 LEU 27 7.938 2.906 -6.658
188 HB3 LEU 27 HB1 LEU 27 6.370 2.611 -7.360
189 HG LEU 27 HG LEU 27 7.763 4.252 -8.432
190 HD11 LEU 27 HD11 LEU 27 5.330 4.303 -8.818
191 HD12 LEU 27 HD12 LEU 27 5.951 5.954 -8.809
192 HD13 LEU 27 HD13 LEU 27 5.118 5.319 -7.390
193 HD21 LEU 27 HD21 LEU 27 7.215 5.947 -6.016
194 HD22 LEU 27 HD22 LEU 27 7.941 6.539 -7.511
195 HD23 LEU 27 HD23 LEU 27 8.774 5.318 -6.544
196 H GLU 28 H GLU 28 4.869 1.496 -6.151
197 HA GLU 28 HA GLU 28 2.489 2.856 -6.834
198 HB2 GLU 28 HB2 GLU 28 2.970 -0.060 -6.236
199 HB3 GLU 28 HB1 GLU 28 1.457 0.584 -6.849
200 HG2 GLU 28 HG2 GLU 28 2.654 1.389 -8.839
201 HG3 GLU 28 HG1 GLU 28 4.122 0.613 -8.236
202 H MET 29 H MET 29 3.712 1.439 -3.931
203 HA MET 29 HA MET 29 1.142 1.295 -2.689
204 HB2 MET 29 HB2 MET 29 3.883 0.945 -1.493
205 HB3 MET 29 HB1 MET 29 2.379 0.662 -0.640
206 HG2 MET 29 HG2 MET 29 3.510 -0.870 -2.961
207 HG3 MET 29 HG1 MET 29 3.185 -1.452 -1.332
208 HE1 MET 29 HE1 MET 29 0.309 0.116 -1.042
209 HE2 MET 29 HE2 MET 29 0.599 -1.485 -0.354
210 HE3 MET 29 3HE MET 29 -0.817 -1.201 -1.384
211 H GLY 30 H GLY 30 3.555 3.622 -3.032
212 HA2 GLY 30 HA2 GLY 30 2.991 5.134 -0.702
213 HA3 GLY 30 HA1 GLY 30 3.823 5.767 -2.103
214 H TYR 31 H TYR 31 1.707 5.198 -3.950
215 HA TYR 31 HA TYR 31 -0.036 7.304 -3.081
216 HB2 TYR 31 HB2 TYR 31 -0.899 7.397 -5.433
217 HB3 TYR 31 HB1 TYR 31 0.803 7.772 -5.185
218 HD1 TYR 31 HD1 TYR 31 -1.558 5.335 -6.564
219 HD2 TYR 31 HD2 TYR 31 2.510 6.477 -6.206
220 HE1 TYR 31 HE1 TYR 31 -0.979 3.813 -8.359
221 HE2 TYR 31 HE2 TYR 31 3.121 4.960 -7.972
222 HH TYR 31 HH TYR 31 0.756 3.492 -9.985
223 H TYR 32 H TYR 32 -0.217 4.002 -3.981
224 HA TYR 32 HA TYR 32 -3.021 3.832 -3.814
225 HB2 TYR 32 HB2 TYR 32 -0.905 1.715 -3.822
226 HB3 TYR 32 HB1 TYR 32 -2.519 1.259 -3.354
227 HD1 TYR 32 HD1 TYR 32 -0.402 1.347 -6.041
228 HD2 TYR 32 HD2 TYR 32 -4.362 2.419 -4.965
229 HE1 TYR 32 HE1 TYR 32 -1.086 1.188 -8.400
230 HE2 TYR 32 HE2 TYR 32 -5.062 2.268 -7.278
231 HH TYR 32 HH TYR 32 -4.063 2.406 -9.463
232 H CYS 33 H CYS 33 -0.634 2.904 -1.308
233 HA CYS 33 HA CYS 33 -2.764 3.457 0.542
234 HB2 CYS 33 HB2 CYS 33 -1.241 0.863 0.513
235 HB3 CYS 33 HB1 CYS 33 -2.203 1.430 1.877
236 HA PRO 34 HA PRO 34 1.083 5.472 1.834
237 HB2 PRO 34 HB2 PRO 34 -0.057 7.771 2.634
238 HB3 PRO 34 HB1 PRO 34 0.296 7.441 0.931
239 HG2 PRO 34 HG2 PRO 34 -2.287 7.112 2.415
240 HG3 PRO 34 HG1 PRO 34 -2.007 7.897 0.857
241 HD2 PRO 34 HD2 PRO 34 -2.928 5.407 1.026
242 HD3 PRO 34 HD1 PRO 34 -1.807 5.885 -0.267
243 H VAL 35 H VAL 35 -1.907 4.764 3.361
244 HA VAL 35 HA VAL 35 -0.935 5.563 5.945
245 HB VAL 35 HB VAL 35 -3.528 4.158 5.314
246 HG11 VAL 35 HG11 VAL 35 -2.619 5.746 7.709
247 HG12 VAL 35 HG12 VAL 35 -2.838 4.000 7.649
248 HG13 VAL 35 3HG1 VAL 35 -4.236 5.072 7.487
249 HG21 VAL 35 HG21 VAL 35 -4.515 6.413 5.390
250 HG22 VAL 35 HG22 VAL 35 -3.315 6.223 4.095
251 HG23 VAL 35 HG23 VAL 35 -2.883 7.082 5.563
252 H THR 36 H THR 36 -2.115 2.592 4.455
253 HA THR 36 HA THR 36 -1.379 0.859 6.525
254 HB THR 36 HB THR 36 -1.806 0.319 3.587
255 HG1 THR 36 HG1 THR 36 -3.620 1.041 4.850
256 HG21 THR 36 HG21 THR 36 -0.412 -1.477 4.542
257 HG22 THR 36 HG22 THR 36 -2.041 -2.056 4.186
258 HG23 THR 36 HG23 THR 36 -1.583 -1.680 5.845
259 H CYS 37 H CYS 37 0.511 1.895 3.721
260 HA CYS 37 HA CYS 37 2.624 0.115 4.475
261 HB2 CYS 37 HB2 CYS 37 2.318 2.054 2.223
262 HB3 CYS 37 HB1 CYS 37 3.757 1.035 2.426
263 H GLY 38 H GLY 38 1.779 2.762 5.946
264 HA2 GLY 38 HA2 GLY 38 2.905 3.888 7.593
265 HA3 GLY 38 HA1 GLY 38 4.341 2.994 7.149
266 H PHE 39 H PHE 39 2.512 5.194 5.078
267 HA PHE 39 HA PHE 39 4.900 6.888 4.933
268 HB2 PHE 39 HB2 PHE 39 2.352 6.937 3.280
269 HB3 PHE 39 HB1 PHE 39 3.714 8.024 3.049
270 HD1 PHE 39 HD1 PHE 39 2.521 4.585 2.693
271 HD2 PHE 39 HD2 PHE 39 5.690 7.297 1.950
272 HE1 PHE 39 HE1 PHE 39 3.580 2.954 1.118
273 HE2 PHE 39 HE2 PHE 39 6.736 5.689 0.417
274 HZ PHE 39 HZ PHE 39 5.673 3.518 0.006
275 HA CYS 40 HA CYS 40 1.894 8.888 7.739
276 HB2 CYS 40 HB2 CYS 40 0.107 10.413 6.716
277 HB3 CYS 40 HB1 CYS 40 1.694 10.462 5.956
278 HN1 NH2 41 H1 CYS 40 -1.232 8.704 6.270
279 HN2 NH2 41 H2 CYS 40 -1.911 7.558 7.371
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 -5.978 17.081 0.275
2 H2 GLU 1 HT2 GLU 1 -6.704 17.615 1.683
3 H3 GLU 1 HT3 GLU 1 -7.630 17.485 0.272
4 HA GLU 1 HA GLU 1 -8.112 15.712 1.793
5 HB2 GLU 1 HB2 GLU 1 -7.658 13.797 0.413
6 HB3 GLU 1 HB1 GLU 1 -8.136 15.140 -0.636
7 HG2 GLU 1 HG2 GLU 1 -5.789 15.442 -1.250
8 HG3 GLU 1 HG1 GLU 1 -5.327 14.167 -0.124
9 H HIS 2 H HIS 2 -7.423 14.083 3.111
10 HA HIS 2 HA HIS 2 -4.627 14.200 3.840
11 HB2 HIS 2 HB2 HIS 2 -6.948 12.654 5.042
12 HB3 HIS 2 HB1 HIS 2 -5.309 12.660 5.676
13 HD1 HIS 2 HD1 HIS 2 -8.473 14.581 5.747
14 HD2 HIS 2 HD2 HIS 2 -4.487 15.139 6.775
15 HE1 HIS 2 HE1 HIS 2 -8.408 16.619 7.229
16 H CYS 3 H CYS 3 -3.241 12.704 3.200
17 HA CYS 3 HA CYS 3 -3.838 10.883 1.179
18 HB2 CYS 3 HB2 CYS 3 -1.564 9.890 1.726
19 HB3 CYS 3 HB1 CYS 3 -1.584 11.616 1.392
20 H ALA 4 H ALA 4 -4.999 9.129 1.257
21 HA ALA 4 HA ALA 4 -4.964 7.490 3.665
22 HB1 ALA 4 HB1 ALA 4 -7.430 8.352 2.154
23 HB2 ALA 4 HB2 ALA 4 -6.958 8.911 3.757
24 HB3 ALA 4 HB3 ALA 4 -7.396 7.220 3.506
25 H ASP 5 H ASP 5 -5.573 5.351 3.278
26 HA ASP 5 HA ASP 5 -4.505 4.166 0.944
27 HB2 ASP 5 HB2 ASP 5 -6.477 2.841 2.799
28 HB3 ASP 5 HB1 ASP 5 -5.252 2.075 1.806
29 H GLU 6 H GLU 6 -5.414 3.260 -0.809
30 HA GLU 6 HA GLU 6 -7.898 4.257 -1.775
31 HB2 GLU 6 HB2 GLU 6 -5.716 3.473 -3.059
32 HB3 GLU 6 HB1 GLU 6 -6.372 1.866 -2.884
33 HG2 GLU 6 HG2 GLU 6 -7.722 4.148 -4.304
34 HG3 GLU 6 HG1 GLU 6 -6.788 2.870 -5.066
35 H LYS 7 H LYS 7 -9.862 3.322 -1.441
36 HA LYS 7 HA LYS 7 -9.870 1.226 0.544
37 HB2 LYS 7 HB2 LYS 7 -12.209 1.581 0.952
38 HB3 LYS 7 HB1 LYS 7 -11.392 3.125 0.917
39 HG2 LYS 7 HG2 LYS 7 -12.879 2.058 -1.473
40 HG3 LYS 7 HG1 LYS 7 -13.696 2.919 -0.177
41 HD2 LYS 7 HD2 LYS 7 -11.436 4.037 -1.862
42 HD3 LYS 7 HD1 LYS 7 -13.144 4.355 -2.104
43 HE2 LYS 7 HE2 LYS 7 -11.558 5.080 0.369
44 HE3 LYS 7 HE1 LYS 7 -12.094 6.187 -0.880
45 HZ1 LYS 7 HZ1 LYS 7 -14.416 5.604 -0.297
46 HZ2 LYS 7 HZ2 LYS 7 -13.562 6.296 0.970
47 HZ3 LYS 7 HZ3 LYS 7 -13.848 4.662 0.979
48 H ASN 8 H ASN 8 -10.351 1.315 -2.772
49 HA ASN 8 HA ASN 8 -11.976 -1.102 -2.824
50 HB2 ASN 8 HB2 ASN 8 -10.573 0.329 -5.109
51 HB3 ASN 8 HB1 ASN 8 -11.711 -0.999 -5.291
52 HD21 ASN 8 HD21 ASN 8 -11.308 2.335 -4.535
53 HD22 ASN 8 HD22 ASN 8 -12.959 2.826 -4.656
54 H PHE 9 H PHE 9 -8.745 -0.173 -2.808
55 HA PHE 9 HA PHE 9 -7.562 -2.637 -3.752
56 HB2 PHE 9 HB2 PHE 9 -6.640 -0.238 -3.856
57 HB3 PHE 9 HB1 PHE 9 -6.273 -0.458 -2.149
58 HD1 PHE 9 HD1 PHE 9 -5.766 -1.905 -5.470
59 HD2 PHE 9 HD2 PHE 9 -4.330 -1.559 -1.504
60 HE1 PHE 9 HE1 PHE 9 -3.764 -3.038 -6.130
61 HE2 PHE 9 HE2 PHE 9 -2.268 -2.712 -2.151
62 HZ PHE 9 HZ PHE 9 -1.953 -3.448 -4.465
63 H ASP 10 H ASP 10 -6.793 -4.273 -2.403
64 HA ASP 10 HA ASP 10 -7.727 -4.039 0.336
65 HB2 ASP 10 HB2 ASP 10 -8.152 -6.152 -1.035
66 HB3 ASP 10 HB1 ASP 10 -6.434 -6.499 -0.844
67 H CYS 11 H CYS 11 -6.390 -2.835 1.390
68 HA CYS 11 HA CYS 11 -3.574 -2.858 0.989
69 HB2 CYS 11 HB2 CYS 11 -5.249 -1.524 3.119
70 HB3 CYS 11 HB1 CYS 11 -3.526 -1.259 2.876
71 H ARG 12 H ARG 12 -5.714 -4.649 2.968
72 HA ARG 12 HA ARG 12 -3.810 -5.162 5.063
73 HB2 ARG 12 HB2 ARG 12 -6.304 -6.732 4.411
74 HB3 ARG 12 HB1 ARG 12 -5.408 -6.771 5.919
75 HG2 ARG 12 HG2 ARG 12 -7.105 -4.549 4.820
76 HG3 ARG 12 HG1 ARG 12 -7.355 -5.497 6.281
77 HD2 ARG 12 HD2 ARG 12 -5.178 -3.460 5.774
78 HD3 ARG 12 HD1 ARG 12 -6.545 -3.279 6.862
79 HE ARG 12 HE ARG 12 -5.006 -5.534 7.583
80 HH11 ARG 12 HH11 ARG 12 -4.922 -1.973 7.723
81 HH12 ARG 12 HH12 ARG 12 -3.905 -1.936 9.070
82 HH21 ARG 12 HH21 ARG 12 -3.538 -5.430 9.419
83 HH22 ARG 12 HH22 ARG 12 -3.106 -3.919 10.047
84 H ARG 13 H ARG 13 -5.105 -6.897 2.329
85 HA ARG 13 HA ARG 13 -3.658 -9.277 2.374
86 HB2 ARG 13 HB2 ARG 13 -5.489 -8.627 0.784
87 HB3 ARG 13 HB1 ARG 13 -4.335 -7.599 -0.047
88 HG2 ARG 13 HG2 ARG 13 -2.966 -9.632 -0.487
89 HG3 ARG 13 HG1 ARG 13 -4.293 -10.595 0.167
90 HD2 ARG 13 HD2 ARG 13 -4.634 -10.571 -2.185
91 HD3 ARG 13 HD1 ARG 13 -5.778 -9.414 -1.514
92 HE ARG 13 HE ARG 13 -3.296 -8.212 -2.276
93 HH11 ARG 13 HH11 ARG 13 -6.485 -9.121 -3.473
94 HH12 ARG 13 HH12 ARG 13 -6.411 -8.142 -4.859
95 HH21 ARG 13 HH21 ARG 13 -3.161 -6.888 -4.162
96 HH22 ARG 13 HH22 ARG 13 -4.449 -6.830 -5.269
97 H SER 14 H SER 14 -2.921 -6.193 0.867
98 HA SER 14 HA SER 14 -0.438 -6.812 -0.207
99 HB2 SER 14 HB2 SER 14 -1.486 -4.150 0.736
100 HB3 SER 14 HB1 SER 14 -0.195 -4.404 -0.444
101 HG SER 14 HG SER 14 -2.956 -4.691 -0.747
102 H LEU 15 H LEU 15 -1.307 -5.778 3.034
103 HA LEU 15 HA LEU 15 1.415 -5.295 3.770
104 HB2 LEU 15 HB2 LEU 15 -0.544 -4.135 4.795
105 HB3 LEU 15 HB1 LEU 15 -0.977 -5.648 5.555
106 HG LEU 15 HG LEU 15 1.108 -5.643 6.829
107 HD11 LEU 15 HD11 LEU 15 2.514 -4.487 5.237
108 HD12 LEU 15 HD12 LEU 15 2.565 -3.662 6.798
109 HD13 LEU 15 HD13 LEU 15 1.607 -2.993 5.471
110 HD21 LEU 15 HD21 LEU 15 -0.881 -4.586 7.772
111 HD22 LEU 15 HD22 LEU 15 -0.415 -3.051 7.031
112 HD23 LEU 15 HD23 LEU 15 0.592 -3.763 8.294
113 H ARG 16 H ARG 16 -0.887 -7.878 4.151
114 HA ARG 16 HA ARG 16 0.756 -9.502 5.799
115 HB2 ARG 16 HB2 ARG 16 -1.602 -10.192 4.065
116 HB3 ARG 16 HB1 ARG 16 -0.812 -11.333 5.141
117 HG2 ARG 16 HG2 ARG 16 -1.382 -9.942 7.051
118 HG3 ARG 16 HG1 ARG 16 -2.149 -8.772 5.974
119 HD2 ARG 16 HD2 ARG 16 -3.775 -10.390 5.289
120 HD3 ARG 16 HD1 ARG 16 -2.961 -11.661 6.197
121 HE ARG 16 HE ARG 16 -3.934 -9.332 7.633
122 HH11 ARG 16 HH11 ARG 16 -4.338 -12.775 6.827
123 HH12 ARG 16 HH12 ARG 16 -5.376 -13.089 8.135
124 HH21 ARG 16 HH21 ARG 16 -5.392 -9.817 9.461
125 HH22 ARG 16 HH22 ARG 16 -6.003 -11.405 9.611
126 H ASN 17 H ASN 17 0.334 -9.264 2.325
127 HA ASN 17 HA ASN 17 1.898 -11.576 1.668
128 HB2 ASN 17 HB2 ASN 17 1.320 -9.103 0.035
129 HB3 ASN 17 HB1 ASN 17 2.175 -10.502 -0.568
130 HD21 ASN 17 HD21 ASN 17 -0.130 -9.287 -1.535
131 HD22 ASN 17 HD22 ASN 17 -1.408 -10.477 -1.535
132 H GLY 18 H GLY 18 2.514 -8.168 1.952
133 HA2 GLY 18 HA2 GLY 18 4.687 -7.517 2.884
134 HA3 GLY 18 HA1 GLY 18 5.397 -8.732 1.824
135 H ASP 19 H ASP 19 2.885 -7.376 0.195
136 HA ASP 19 HA ASP 19 4.442 -6.103 -1.797
137 HB2 ASP 19 HB2 ASP 19 1.543 -5.484 -1.129
138 HB3 ASP 19 HB1 ASP 19 2.349 -5.138 -2.644
139 H CYS 20 H CYS 20 2.710 -4.997 0.935
140 HA CYS 20 HA CYS 20 3.095 -2.163 0.559
141 HB2 CYS 20 HB2 CYS 20 1.085 -3.242 1.553
142 HB3 CYS 20 HB1 CYS 20 2.101 -3.788 2.870
143 H ASP 21 H ASP 21 5.162 -4.560 1.544
144 HA ASP 21 HA ASP 21 6.565 -2.794 3.441
145 HB2 ASP 21 HB2 ASP 21 5.526 -4.724 4.565
146 HB3 ASP 21 HB1 ASP 21 6.363 -5.813 3.475
147 H ASN 22 H ASN 22 6.640 -4.329 0.490
148 HA ASN 22 HA ASN 22 9.475 -4.918 0.402
149 HB2 ASN 22 HB2 ASN 22 7.739 -6.334 -0.755
150 HB3 ASN 22 HB1 ASN 22 7.417 -4.977 -1.821
151 HD21 ASN 22 HD21 ASN 22 8.222 -7.539 -2.599
152 HD22 ASN 22 HD22 ASN 22 9.768 -7.444 -3.363
153 H ASP 23 H ASP 23 10.901 -3.500 -0.199
154 HA ASP 23 HA ASP 23 10.463 -0.803 -0.680
155 HB2 ASP 23 HB2 ASP 23 12.591 -1.620 0.111
156 HB3 ASP 23 HB1 ASP 23 12.843 -2.522 -1.375
157 H ASP 24 H ASP 24 10.775 -3.445 -2.930
158 HA ASP 24 HA ASP 24 11.061 -1.886 -5.293
159 HB2 ASP 24 HB2 ASP 24 11.761 -4.227 -5.213
160 HB3 ASP 24 HB1 ASP 24 10.096 -4.730 -4.953
161 H LYS 25 H LYS 25 8.300 -2.955 -3.450
162 HA LYS 25 HA LYS 25 6.503 -2.145 -5.584
163 HB2 LYS 25 HB2 LYS 25 6.138 -3.869 -3.155
164 HB3 LYS 25 HB1 LYS 25 4.745 -3.146 -3.943
165 HG2 LYS 25 HG2 LYS 25 5.058 -5.411 -4.648
166 HG3 LYS 25 HG1 LYS 25 5.351 -4.309 -5.995
167 HD2 LYS 25 HD2 LYS 25 7.763 -4.563 -5.641
168 HD3 LYS 25 HD1 LYS 25 7.444 -5.691 -4.321
169 HE2 LYS 25 HE2 LYS 25 6.367 -7.205 -5.803
170 HE3 LYS 25 HE1 LYS 25 6.482 -6.052 -7.134
171 HZ1 LYS 25 HZ1 LYS 25 8.189 -7.701 -7.355
172 HZ2 LYS 25 HZ2 LYS 25 8.755 -7.439 -5.799
173 HZ3 LYS 25 HZ3 LYS 25 8.906 -6.215 -6.974
174 H LEU 26 H LEU 26 8.003 -0.597 -3.173
175 HA LEU 26 HA LEU 26 5.868 0.494 -1.729
176 HB2 LEU 26 HB2 LEU 26 8.686 1.435 -2.006
177 HB3 LEU 26 HB1 LEU 26 7.513 2.307 -1.043
178 HG LEU 26 HG LEU 26 8.445 -0.525 -0.589
179 HD11 LEU 26 HD11 LEU 26 9.420 0.379 1.453
180 HD12 LEU 26 HD12 LEU 26 8.876 1.994 0.999
181 HD13 LEU 26 HD13 LEU 26 10.091 1.168 0.024
182 HD21 LEU 26 HD21 LEU 26 7.119 -0.398 1.492
183 HD22 LEU 26 HD22 LEU 26 6.120 -0.347 0.049
184 HD23 LEU 26 HD23 LEU 26 6.445 1.139 0.946
185 H LEU 27 H LEU 27 7.342 1.745 -4.744
186 HA LEU 27 HA LEU 27 6.236 4.265 -4.633
187 HB2 LEU 27 HB2 LEU 27 7.953 3.131 -6.193
188 HB3 LEU 27 HB1 LEU 27 6.566 2.559 -7.067
189 HG LEU 27 HG LEU 27 7.757 4.421 -7.977
190 HD11 LEU 27 HD11 LEU 27 4.849 4.978 -7.308
191 HD12 LEU 27 HD12 LEU 27 5.433 4.023 -8.674
192 HD13 LEU 27 HD13 LEU 27 5.725 5.763 -8.623
193 HD21 LEU 27 HD21 LEU 27 7.378 6.712 -7.101
194 HD22 LEU 27 HD22 LEU 27 8.313 5.678 -6.015
195 HD23 LEU 27 HD23 LEU 27 6.608 5.993 -5.689
196 H GLU 28 H GLU 28 5.079 1.217 -5.928
197 HA GLU 28 HA GLU 28 2.610 2.150 -6.904
198 HB2 GLU 28 HB2 GLU 28 3.633 0.067 -7.657
199 HB3 GLU 28 HB1 GLU 28 3.448 -0.620 -6.052
200 HG2 GLU 28 HG2 GLU 28 1.073 -0.604 -6.260
201 HG3 GLU 28 HG1 GLU 28 1.165 0.252 -7.802
202 H MET 29 H MET 29 3.701 1.030 -3.814
203 HA MET 29 HA MET 29 1.015 0.730 -2.854
204 HB2 MET 29 HB2 MET 29 3.676 0.323 -1.538
205 HB3 MET 29 HB1 MET 29 2.153 0.146 -0.680
206 HG2 MET 29 HG2 MET 29 3.095 -1.447 -3.053
207 HG3 MET 29 HG1 MET 29 2.932 -2.033 -1.405
208 HE1 MET 29 HE1 MET 29 -1.035 -1.600 -1.008
209 HE2 MET 29 HE2 MET 29 0.137 -0.292 -0.875
210 HE3 MET 29 3HE MET 29 0.489 -1.858 -0.144
211 H GLY 30 H GLY 30 3.184 3.188 -3.131
212 HA2 GLY 30 HA2 GLY 30 2.397 4.705 -0.839
213 HA3 GLY 30 HA1 GLY 30 3.279 5.342 -2.215
214 H TYR 31 H TYR 31 1.376 4.568 -4.198
215 HA TYR 31 HA TYR 31 -0.565 6.570 -3.595
216 HB2 TYR 31 HB2 TYR 31 -1.404 6.263 -5.965
217 HB3 TYR 31 HB1 TYR 31 0.215 6.908 -5.690
218 HD1 TYR 31 HD1 TYR 31 2.106 5.849 -6.571
219 HD2 TYR 31 HD2 TYR 31 -1.682 3.963 -6.856
220 HE1 TYR 31 HE1 TYR 31 3.042 4.291 -8.166
221 HE2 TYR 31 HE2 TYR 31 -0.781 2.372 -8.465
222 HH TYR 31 HH TYR 31 2.621 2.086 -9.127
223 H TYR 32 H TYR 32 -0.456 3.270 -3.852
224 HA TYR 32 HA TYR 32 -3.298 2.988 -3.635
225 HB2 TYR 32 HB2 TYR 32 -1.141 0.919 -3.489
226 HB3 TYR 32 HB1 TYR 32 -2.782 0.517 -3.003
227 HD1 TYR 32 HD1 TYR 32 -0.646 0.275 -5.635
228 HD2 TYR 32 HD2 TYR 32 -4.558 1.633 -4.745
229 HE1 TYR 32 HE1 TYR 32 -1.282 -0.024 -7.994
230 HE2 TYR 32 HE2 TYR 32 -5.221 1.351 -7.038
231 HH TYR 32 HH TYR 32 -4.125 1.298 -9.236
232 H CYS 33 H CYS 33 -0.783 2.295 -1.144
233 HA CYS 33 HA CYS 33 -2.928 2.886 0.745
234 HB2 CYS 33 HB2 CYS 33 -1.033 0.559 1.052
235 HB3 CYS 33 HB1 CYS 33 -2.386 0.991 2.096
236 HA PRO 34 HA PRO 34 1.041 5.243 1.565
237 HB2 PRO 34 HB2 PRO 34 -0.238 7.519 2.388
238 HB3 PRO 34 HB1 PRO 34 0.215 7.192 0.710
239 HG2 PRO 34 HG2 PRO 34 -2.404 6.723 2.079
240 HG3 PRO 34 HG1 PRO 34 -2.103 7.504 0.520
241 HD2 PRO 34 HD2 PRO 34 -2.892 5.001 0.578
242 HD3 PRO 34 HD1 PRO 34 -1.587 5.471 -0.525
243 H VAL 35 H VAL 35 -1.877 4.706 3.365
244 HA VAL 35 HA VAL 35 -0.615 5.569 5.802
245 HB VAL 35 HB VAL 35 -3.365 4.367 5.457
246 HG11 VAL 35 HG11 VAL 35 -2.488 4.168 7.739
247 HG12 VAL 35 HG12 VAL 35 -3.799 5.352 7.672
248 HG13 VAL 35 3HG1 VAL 35 -2.117 5.890 7.745
249 HG21 VAL 35 HG21 VAL 35 -3.043 6.410 4.208
250 HG22 VAL 35 HG22 VAL 35 -2.450 7.217 5.652
251 HG23 VAL 35 HG23 VAL 35 -4.139 6.687 5.571
252 H THR 36 H THR 36 -1.959 2.601 4.478
253 HA THR 36 HA THR 36 -1.335 0.857 6.576
254 HB THR 36 HB THR 36 -1.347 0.122 3.642
255 HG1 THR 36 HG1 THR 36 -3.229 1.300 4.166
256 HG21 THR 36 HG21 THR 36 -2.196 -2.035 4.476
257 HG22 THR 36 HG22 THR 36 -2.091 -1.435 6.130
258 HG23 THR 36 HG23 THR 36 -0.624 -1.658 5.177
259 H CYS 37 H CYS 37 0.610 1.882 3.830
260 HA CYS 37 HA CYS 37 2.782 0.157 4.584
261 HB2 CYS 37 HB2 CYS 37 2.544 2.195 2.394
262 HB3 CYS 37 HB1 CYS 37 3.876 1.049 2.572
263 H GLY 38 H GLY 38 1.797 2.822 6.018
264 HA2 GLY 38 HA2 GLY 38 2.856 4.004 7.651
265 HA3 GLY 38 HA1 GLY 38 4.333 3.163 7.236
266 H PHE 39 H PHE 39 2.808 4.966 4.693
267 HA PHE 39 HA PHE 39 5.035 6.820 4.655
268 HB2 PHE 39 HB2 PHE 39 2.512 6.768 2.968
269 HB3 PHE 39 HB1 PHE 39 3.872 7.844 2.704
270 HD1 PHE 39 HD1 PHE 39 5.951 6.992 1.803
271 HD2 PHE 39 HD2 PHE 39 2.573 4.499 2.337
272 HE1 PHE 39 HE1 PHE 39 6.962 5.336 0.288
273 HE2 PHE 39 HE2 PHE 39 3.583 2.816 0.798
274 HZ PHE 39 HZ PHE 39 5.769 3.246 -0.210
275 HA CYS 40 HA CYS 40 1.849 9.515 6.462
276 HB2 CYS 40 HB2 CYS 40 -0.611 8.105 5.412
277 HB3 CYS 40 HB1 CYS 40 -0.563 9.738 6.066
278 HN1 NH2 41 H1 CYS 40 2.558 8.665 8.438
279 HN2 NH2 41 H2 CYS 40 1.537 7.718 9.467
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 -4.500 16.889 0.087
2 H2 GLU 1 HT2 GLU 1 -5.939 17.731 -0.033
3 H3 GLU 1 HT3 GLU 1 -5.001 17.462 -1.418
4 HA GLU 1 HA GLU 1 -6.931 15.994 -1.316
5 HB2 GLU 1 HB2 GLU 1 -5.716 13.825 -1.513
6 HB3 GLU 1 HB1 GLU 1 -5.011 15.091 -2.496
7 HG2 GLU 1 HG2 GLU 1 -3.187 15.344 -0.999
8 HG3 GLU 1 HG1 GLU 1 -3.977 14.353 0.225
9 H HIS 2 H HIS 2 -7.468 13.761 -0.354
10 HA HIS 2 HA HIS 2 -7.353 13.979 2.549
11 HB2 HIS 2 HB2 HIS 2 -9.169 12.397 0.704
12 HB3 HIS 2 HB1 HIS 2 -9.202 12.245 2.454
13 HD1 HIS 2 HD1 HIS 2 -10.503 14.058 3.749
14 HD2 HIS 2 HD2 HIS 2 -10.145 14.855 -0.311
15 HE1 HIS 2 HE1 HIS 2 -12.049 15.974 3.280
16 H CYS 3 H CYS 3 -5.768 12.863 3.394
17 HA CYS 3 HA CYS 3 -4.471 10.843 1.813
18 HB2 CYS 3 HB2 CYS 3 -3.201 12.546 3.047
19 HB3 CYS 3 HB1 CYS 3 -3.816 11.841 4.555
20 H ALA 4 H ALA 4 -5.661 9.207 1.770
21 HA ALA 4 HA ALA 4 -5.961 7.549 4.144
22 HB1 ALA 4 HB1 ALA 4 -8.060 8.796 4.066
23 HB2 ALA 4 HB2 ALA 4 -8.328 7.092 3.703
24 HB3 ALA 4 HB3 ALA 4 -8.316 8.281 2.399
25 H ASP 5 H ASP 5 -6.007 5.396 3.652
26 HA ASP 5 HA ASP 5 -4.732 4.495 1.316
27 HB2 ASP 5 HB2 ASP 5 -6.571 2.821 3.021
28 HB3 ASP 5 HB1 ASP 5 -5.268 2.246 1.998
29 H GLU 6 H GLU 6 -5.485 3.337 -0.485
30 HA GLU 6 HA GLU 6 -7.861 4.438 -1.513
31 HB2 GLU 6 HB2 GLU 6 -5.816 4.090 -2.837
32 HB3 GLU 6 HB1 GLU 6 -6.013 2.354 -2.664
33 HG2 GLU 6 HG2 GLU 6 -6.731 3.242 -4.824
34 HG3 GLU 6 HG1 GLU 6 -8.003 2.380 -3.949
35 H LYS 7 H LYS 7 -9.661 3.401 -2.207
36 HA LYS 7 HA LYS 7 -10.592 1.307 -0.430
37 HB2 LYS 7 HB2 LYS 7 -12.781 1.873 -1.267
38 HB3 LYS 7 HB1 LYS 7 -11.909 3.327 -0.817
39 HG2 LYS 7 HG2 LYS 7 -11.301 3.504 -3.299
40 HG3 LYS 7 HG1 LYS 7 -12.569 2.307 -3.557
41 HD2 LYS 7 HD2 LYS 7 -13.611 4.401 -3.848
42 HD3 LYS 7 HD1 LYS 7 -14.048 3.804 -2.233
43 HE2 LYS 7 HE2 LYS 7 -13.481 6.196 -2.166
44 HE3 LYS 7 HE1 LYS 7 -12.369 5.236 -1.202
45 HZ1 LYS 7 HZ1 LYS 7 -11.170 6.862 -2.472
46 HZ2 LYS 7 HZ2 LYS 7 -11.863 6.360 -3.908
47 HZ3 LYS 7 HZ3 LYS 7 -10.762 5.360 -3.128
48 H ASN 8 H ASN 8 -9.643 1.714 -3.623
49 HA ASN 8 HA ASN 8 -10.877 -0.738 -4.649
50 HB2 ASN 8 HB2 ASN 8 -8.912 1.100 -6.034
51 HB3 ASN 8 HB1 ASN 8 -9.833 -0.186 -6.793
52 HD21 ASN 8 HD21 ASN 8 -12.053 0.150 -7.193
53 HD22 ASN 8 HD22 ASN 8 -12.720 1.742 -7.167
54 H PHE 9 H PHE 9 -8.439 -0.278 -2.689
55 HA PHE 9 HA PHE 9 -6.755 -2.395 -3.845
56 HB2 PHE 9 HB2 PHE 9 -5.903 0.047 -3.949
57 HB3 PHE 9 HB1 PHE 9 -5.726 -0.114 -2.204
58 HD1 PHE 9 HD1 PHE 9 -3.865 -1.165 -1.307
59 HD2 PHE 9 HD2 PHE 9 -4.805 -1.627 -5.407
60 HE1 PHE 9 HE1 PHE 9 -1.718 -2.277 -1.667
61 HE2 PHE 9 HE2 PHE 9 -2.704 -2.732 -5.796
62 HZ PHE 9 HZ PHE 9 -1.104 -3.052 -3.906
63 H ASP 10 H ASP 10 -6.100 -3.870 -2.244
64 HA ASP 10 HA ASP 10 -7.401 -3.433 0.344
65 HB2 ASP 10 HB2 ASP 10 -7.960 -5.560 -0.949
66 HB3 ASP 10 HB1 ASP 10 -6.300 -6.071 -0.649
67 H CYS 11 H CYS 11 -6.062 -2.415 1.550
68 HA CYS 11 HA CYS 11 -3.267 -2.605 1.257
69 HB2 CYS 11 HB2 CYS 11 -4.994 -1.194 3.252
70 HB3 CYS 11 HB1 CYS 11 -3.236 -1.020 3.160
71 H ARG 12 H ARG 12 -5.525 -4.233 3.308
72 HA ARG 12 HA ARG 12 -3.575 -4.949 5.291
73 HB2 ARG 12 HB2 ARG 12 -6.243 -6.223 4.684
74 HB3 ARG 12 HB1 ARG 12 -5.253 -6.565 6.094
75 HG2 ARG 12 HG2 ARG 12 -6.492 -3.900 5.440
76 HG3 ARG 12 HG1 ARG 12 -7.124 -5.075 6.591
77 HD2 ARG 12 HD2 ARG 12 -5.143 -4.826 7.973
78 HD3 ARG 12 HD1 ARG 12 -4.414 -3.749 6.782
79 HE ARG 12 HE ARG 12 -6.959 -2.850 7.708
80 HH11 ARG 12 HH11 ARG 12 -3.527 -2.877 8.560
81 HH12 ARG 12 HH12 ARG 12 -3.588 -1.420 9.414
82 HH21 ARG 12 HH21 ARG 12 -7.019 -0.780 8.862
83 HH22 ARG 12 HH22 ARG 12 -5.587 -0.193 9.557
84 H ARG 13 H ARG 13 -5.107 -6.644 2.592
85 HA ARG 13 HA ARG 13 -3.705 -9.060 2.839
86 HB2 ARG 13 HB2 ARG 13 -5.707 -8.832 1.449
87 HB3 ARG 13 HB1 ARG 13 -4.857 -7.739 0.374
88 HG2 ARG 13 HG2 ARG 13 -3.394 -9.549 -0.329
89 HG3 ARG 13 HG1 ARG 13 -4.197 -10.647 0.794
90 HD2 ARG 13 HD2 ARG 13 -5.073 -10.970 -1.442
91 HD3 ARG 13 HD1 ARG 13 -6.311 -10.289 -0.386
92 HE ARG 13 HE ARG 13 -4.787 -8.422 -2.007
93 HH11 ARG 13 HH11 ARG 13 -7.830 -10.241 -1.623
94 HH12 ARG 13 HH12 ARG 13 -8.673 -9.272 -2.751
95 HH21 ARG 13 HH21 ARG 13 -5.998 -7.160 -3.600
96 HH22 ARG 13 HH22 ARG 13 -7.628 -7.562 -3.887
97 H SER 14 H SER 14 -2.949 -6.131 1.040
98 HA SER 14 HA SER 14 -0.680 -7.171 -0.269
99 HB2 SER 14 HB2 SER 14 -1.321 -4.292 0.407
100 HB3 SER 14 HB1 SER 14 -0.241 -4.855 -0.873
101 HG SER 14 HG SER 14 -3.006 -4.780 -0.772
102 H LEU 15 H LEU 15 -1.109 -5.411 2.784
103 HA LEU 15 HA LEU 15 1.596 -5.081 3.449
104 HB2 LEU 15 HB2 LEU 15 -0.207 -3.870 4.540
105 HB3 LEU 15 HB1 LEU 15 -0.844 -5.362 5.192
106 HG LEU 15 HG LEU 15 1.236 -5.608 6.529
107 HD11 LEU 15 HD11 LEU 15 2.728 -4.270 5.167
108 HD12 LEU 15 HD12 LEU 15 2.682 -3.679 6.825
109 HD13 LEU 15 HD13 LEU 15 1.808 -2.815 5.557
110 HD21 LEU 15 HD21 LEU 15 -0.789 -4.697 7.503
111 HD22 LEU 15 HD22 LEU 15 -0.342 -3.080 6.955
112 HD23 LEU 15 HD23 LEU 15 0.638 -3.904 8.169
113 H ARG 16 H ARG 16 -0.733 -7.609 4.210
114 HA ARG 16 HA ARG 16 1.042 -9.138 5.808
115 HB2 ARG 16 HB2 ARG 16 -1.591 -9.828 4.526
116 HB3 ARG 16 HB1 ARG 16 -0.724 -10.912 5.604
117 HG2 ARG 16 HG2 ARG 16 -0.897 -9.281 7.411
118 HG3 ARG 16 HG1 ARG 16 -1.706 -8.156 6.326
119 HD2 ARG 16 HD2 ARG 16 -3.298 -9.328 7.778
120 HD3 ARG 16 HD1 ARG 16 -3.565 -9.688 6.074
121 HE ARG 16 HE ARG 16 -1.876 -11.627 7.121
122 HH11 ARG 16 HH11 ARG 16 -5.263 -10.611 7.510
123 HH12 ARG 16 HH12 ARG 16 -5.839 -12.158 7.880
124 HH21 ARG 16 HH21 ARG 16 -2.687 -13.780 7.687
125 HH22 ARG 16 HH22 ARG 16 -4.347 -13.986 8.009
126 H ASN 17 H ASN 17 0.368 -9.109 2.395
127 HA ASN 17 HA ASN 17 1.738 -11.603 1.910
128 HB2 ASN 17 HB2 ASN 17 0.558 -9.544 0.112
129 HB3 ASN 17 HB1 ASN 17 1.776 -10.642 -0.532
130 HD21 ASN 17 HD21 ASN 17 -1.333 -10.421 0.924
131 HD22 ASN 17 HD22 ASN 17 -1.913 -11.973 0.399
132 H GLY 18 H GLY 18 2.582 -8.304 1.884
133 HA2 GLY 18 HA2 GLY 18 4.952 -7.929 2.594
134 HA3 GLY 18 HA1 GLY 18 5.368 -9.200 1.462
135 H ASP 19 H ASP 19 2.929 -7.113 0.372
136 HA ASP 19 HA ASP 19 4.423 -6.205 -1.842
137 HB2 ASP 19 HB2 ASP 19 1.812 -5.303 -0.680
138 HB3 ASP 19 HB1 ASP 19 2.520 -4.506 -2.077
139 H CYS 20 H CYS 20 3.834 -4.783 1.286
140 HA CYS 20 HA CYS 20 4.892 -2.222 0.424
141 HB2 CYS 20 HB2 CYS 20 2.938 -2.528 2.062
142 HB3 CYS 20 HB1 CYS 20 4.131 -3.046 3.237
143 H ASP 21 H ASP 21 6.119 -5.107 1.279
144 HA ASP 21 HA ASP 21 8.592 -4.033 2.476
145 HB2 ASP 21 HB2 ASP 21 7.494 -5.926 3.661
146 HB3 ASP 21 HB1 ASP 21 7.600 -6.887 2.195
147 H ASN 22 H ASN 22 7.185 -4.844 -0.365
148 HA ASN 22 HA ASN 22 9.456 -6.084 -1.658
149 HB2 ASN 22 HB2 ASN 22 7.106 -6.826 -2.089
150 HB3 ASN 22 HB1 ASN 22 6.757 -5.242 -2.750
151 HD21 ASN 22 HD21 ASN 22 6.520 -7.829 -3.987
152 HD22 ASN 22 HD22 ASN 22 7.565 -7.840 -5.357
153 H ASP 23 H ASP 23 11.023 -4.786 -2.376
154 HA ASP 23 HA ASP 23 10.888 -1.999 -2.437
155 HB2 ASP 23 HB2 ASP 23 12.855 -3.872 -3.712
156 HB3 ASP 23 HB1 ASP 23 12.979 -2.129 -3.914
157 H ASP 24 H ASP 24 10.306 -4.282 -4.985
158 HA ASP 24 HA ASP 24 10.217 -2.352 -7.082
159 HB2 ASP 24 HB2 ASP 24 9.056 -5.139 -6.961
160 HB3 ASP 24 HB1 ASP 24 8.967 -4.108 -8.377
161 H LYS 25 H LYS 25 7.930 -3.331 -4.695
162 HA LYS 25 HA LYS 25 5.818 -1.939 -6.146
163 HB2 LYS 25 HB2 LYS 25 5.754 -4.088 -4.067
164 HB3 LYS 25 HB1 LYS 25 4.359 -3.049 -4.307
165 HG2 LYS 25 HG2 LYS 25 4.064 -5.091 -5.485
166 HG3 LYS 25 HG1 LYS 25 4.295 -3.768 -6.634
167 HD2 LYS 25 HD2 LYS 25 6.578 -4.489 -7.024
168 HD3 LYS 25 HD1 LYS 25 6.404 -5.764 -5.813
169 HE2 LYS 25 HE2 LYS 25 4.658 -6.790 -7.099
170 HE3 LYS 25 HE1 LYS 25 4.740 -5.497 -8.294
171 HZ1 LYS 25 HZ1 LYS 25 5.889 -7.466 -9.051
172 HZ2 LYS 25 HZ2 LYS 25 6.926 -7.459 -7.728
173 HZ3 LYS 25 HZ3 LYS 25 6.968 -6.201 -8.870
174 H LEU 26 H LEU 26 8.060 -0.964 -4.092
175 HA LEU 26 HA LEU 26 6.655 0.010 -1.879
176 HB2 LEU 26 HB2 LEU 26 9.210 0.947 -3.120
177 HB3 LEU 26 HB1 LEU 26 8.533 1.716 -1.696
178 HG LEU 26 HG LEU 26 9.283 -1.186 -1.893
179 HD11 LEU 26 HD11 LEU 26 10.674 1.121 -0.525
180 HD12 LEU 26 HD12 LEU 26 11.240 0.301 -1.980
181 HD13 LEU 26 HD13 LEU 26 11.170 -0.570 -0.446
182 HD21 LEU 26 HD21 LEU 26 9.030 -1.134 0.559
183 HD22 LEU 26 HD22 LEU 26 7.523 -0.833 -0.294
184 HD23 LEU 26 HD23 LEU 26 8.406 0.511 0.435
185 H LEU 27 H LEU 27 7.317 1.727 -4.944
186 HA LEU 27 HA LEU 27 6.181 4.161 -4.244
187 HB2 LEU 27 HB2 LEU 27 7.508 3.886 -6.224
188 HB3 LEU 27 HB1 LEU 27 6.418 2.654 -6.834
189 HG LEU 27 HG LEU 27 4.684 4.381 -6.789
190 HD11 LEU 27 HD11 LEU 27 5.435 6.743 -7.096
191 HD12 LEU 27 HD12 LEU 27 7.066 6.235 -6.657
192 HD13 LEU 27 HD13 LEU 27 5.756 6.103 -5.484
193 HD21 LEU 27 HD21 LEU 27 5.329 5.232 -9.027
194 HD22 LEU 27 HD22 LEU 27 5.520 3.491 -8.780
195 HD23 LEU 27 HD23 LEU 27 6.941 4.542 -8.755
196 H GLU 28 H GLU 28 4.957 1.276 -5.751
197 HA GLU 28 HA GLU 28 2.336 1.959 -6.424
198 HB2 GLU 28 HB2 GLU 28 3.717 -0.131 -6.984
199 HB3 GLU 28 HB1 GLU 28 3.256 -0.734 -5.406
200 HG2 GLU 28 HG2 GLU 28 1.772 -1.750 -6.874
201 HG3 GLU 28 HG1 GLU 28 0.844 -0.410 -6.203
202 H MET 29 H MET 29 3.803 0.878 -3.460
203 HA MET 29 HA MET 29 1.256 0.401 -2.161
204 HB2 MET 29 HB2 MET 29 4.091 -0.013 -1.337
205 HB3 MET 29 HB1 MET 29 2.786 -0.161 -0.166
206 HG2 MET 29 HG2 MET 29 3.163 -1.744 -2.695
207 HG3 MET 29 HG1 MET 29 3.391 -2.327 -1.050
208 HE1 MET 29 HE1 MET 29 1.325 -2.345 0.750
209 HE2 MET 29 HE2 MET 29 -0.346 -1.995 0.290
210 HE3 MET 29 3HE MET 29 0.868 -0.714 0.257
211 H GLY 30 H GLY 30 3.653 2.798 -2.257
212 HA2 GLY 30 HA2 GLY 30 2.905 4.006 0.206
213 HA3 GLY 30 HA1 GLY 30 3.944 4.777 -0.956
214 H TYR 31 H TYR 31 1.872 4.479 -3.124
215 HA TYR 31 HA TYR 31 0.271 6.642 -2.086
216 HB2 TYR 31 HB2 TYR 31 -0.502 7.156 -4.267
217 HB3 TYR 31 HB1 TYR 31 1.269 7.084 -4.232
218 HD1 TYR 31 HD1 TYR 31 2.378 5.273 -5.464
219 HD2 TYR 31 HD2 TYR 31 -1.819 5.808 -5.580
220 HE1 TYR 31 HE1 TYR 31 2.285 3.917 -7.460
221 HE2 TYR 31 HE2 TYR 31 -1.968 4.449 -7.566
222 HH TYR 31 HH TYR 31 0.480 2.467 -8.615
223 H TYR 32 H TYR 32 -0.206 3.445 -3.209
224 HA TYR 32 HA TYR 32 -3.019 3.615 -3.047
225 HB2 TYR 32 HB2 TYR 32 -1.197 1.224 -3.106
226 HB3 TYR 32 HB1 TYR 32 -2.887 1.006 -2.720
227 HD1 TYR 32 HD1 TYR 32 -0.597 0.886 -5.274
228 HD2 TYR 32 HD2 TYR 32 -4.493 2.338 -4.446
229 HE1 TYR 32 HE1 TYR 32 -1.126 0.791 -7.657
230 HE2 TYR 32 HE2 TYR 32 -5.038 2.258 -6.831
231 HH TYR 32 HH TYR 32 -2.934 0.706 -9.106
232 H CYS 33 H CYS 33 -0.588 2.699 -0.629
233 HA CYS 33 HA CYS 33 -2.735 2.798 1.366
234 HB2 CYS 33 HB2 CYS 33 -0.484 0.806 1.300
235 HB3 CYS 33 HB1 CYS 33 -1.780 0.899 2.489
236 HA PRO 34 HA PRO 34 1.019 5.443 2.418
237 HB2 PRO 34 HB2 PRO 34 -0.366 7.713 3.025
238 HB3 PRO 34 HB1 PRO 34 0.252 7.341 1.412
239 HG2 PRO 34 HG2 PRO 34 -2.509 6.986 2.509
240 HG3 PRO 34 HG1 PRO 34 -2.003 7.595 0.926
241 HD2 PRO 34 HD2 PRO 34 -2.873 5.080 1.283
242 HD3 PRO 34 HD1 PRO 34 -1.625 5.487 0.089
243 H VAL 35 H VAL 35 -2.100 4.916 3.852
244 HA VAL 35 HA VAL 35 -1.226 5.855 6.427
245 HB VAL 35 HB VAL 35 -3.932 4.807 5.590
246 HG11 VAL 35 HG11 VAL 35 -3.053 6.237 8.098
247 HG12 VAL 35 HG12 VAL 35 -3.539 4.545 7.987
248 HG13 VAL 35 3HG1 VAL 35 -4.721 5.825 7.688
249 HG21 VAL 35 HG21 VAL 35 -2.905 7.599 5.992
250 HG22 VAL 35 HG22 VAL 35 -4.571 7.168 5.574
251 HG23 VAL 35 HG23 VAL 35 -3.234 6.826 4.451
252 H THR 36 H THR 36 -2.461 2.850 5.010
253 HA THR 36 HA THR 36 -2.268 1.292 7.320
254 HB THR 36 HB THR 36 -2.091 0.432 4.425
255 HG1 THR 36 HG1 THR 36 -4.057 1.502 5.300
256 HG21 THR 36 HG21 THR 36 -2.732 -1.829 5.198
257 HG22 THR 36 HG22 THR 36 -2.637 -1.285 6.871
258 HG23 THR 36 HG23 THR 36 -1.181 -1.346 5.879
259 H CYS 37 H CYS 37 0.280 1.959 4.906
260 HA CYS 37 HA CYS 37 2.054 0.174 6.274
261 HB2 CYS 37 HB2 CYS 37 2.574 2.214 4.132
262 HB3 CYS 37 HB1 CYS 37 3.834 1.204 4.827
263 H GLY 38 H GLY 38 1.163 3.451 6.714
264 HA2 GLY 38 HA2 GLY 38 1.661 4.607 8.698
265 HA3 GLY 38 HA1 GLY 38 3.061 3.575 8.921
266 H PHE 39 H PHE 39 2.211 5.416 6.035
267 HA PHE 39 HA PHE 39 4.714 6.940 6.286
268 HB2 PHE 39 HB2 PHE 39 2.662 6.912 4.060
269 HB3 PHE 39 HB1 PHE 39 4.203 7.739 4.026
270 HD1 PHE 39 HD1 PHE 39 6.290 6.345 3.997
271 HD2 PHE 39 HD2 PHE 39 2.428 4.725 3.355
272 HE1 PHE 39 HE1 PHE 39 7.306 4.418 2.866
273 HE2 PHE 39 HE2 PHE 39 3.432 2.774 2.220
274 HZ PHE 39 HZ PHE 39 5.872 2.621 1.975
275 HA CYS 40 HA CYS 40 1.276 10.055 6.536
276 HB2 CYS 40 HB2 CYS 40 0.161 9.079 4.532
277 HB3 CYS 40 HB1 CYS 40 -0.889 8.184 5.616
278 HN1 NH2 41 H1 CYS 40 1.461 10.104 8.754
279 HN2 NH2 41 H2 CYS 40 0.371 9.332 9.846
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 -4.670 15.314 -1.248
2 H2 GLU 1 HT2 GLU 1 -3.655 14.065 -1.705
3 H3 GLU 1 HT3 GLU 1 -3.233 15.659 -2.057
4 HA GLU 1 HA GLU 1 -1.899 14.885 -0.281
5 HB2 GLU 1 HB2 GLU 1 -2.354 16.575 1.362
6 HB3 GLU 1 HB1 GLU 1 -2.709 17.251 -0.227
7 HG2 GLU 1 HG2 GLU 1 -5.067 16.962 0.137
8 HG3 GLU 1 HG1 GLU 1 -4.737 16.078 1.628
9 H HIS 2 H HIS 2 -5.349 14.134 0.083
10 HA HIS 2 HA HIS 2 -5.372 13.608 2.812
11 HB2 HIS 2 HB2 HIS 2 -7.171 12.646 0.594
12 HB3 HIS 2 HB1 HIS 2 -7.447 12.273 2.287
13 HD1 HIS 2 HD1 HIS 2 -9.145 13.827 3.316
14 HD2 HIS 2 HD2 HIS 2 -6.958 15.675 0.303
15 HE1 HIS 2 HE1 HIS 2 -10.132 16.103 3.029
16 H CYS 3 H CYS 3 -4.291 12.274 3.760
17 HA CYS 3 HA CYS 3 -3.230 9.921 2.489
18 HB2 CYS 3 HB2 CYS 3 -2.020 11.363 4.148
19 HB3 CYS 3 HB1 CYS 3 -3.096 10.657 5.368
20 H ALA 4 H ALA 4 -4.762 8.597 2.087
21 HA ALA 4 HA ALA 4 -5.995 7.079 4.232
22 HB1 ALA 4 HB1 ALA 4 -7.689 8.804 3.770
23 HB2 ALA 4 HB2 ALA 4 -8.253 7.215 3.251
24 HB3 ALA 4 HB3 ALA 4 -7.664 8.374 2.059
25 H ASP 5 H ASP 5 -6.106 4.985 3.694
26 HA ASP 5 HA ASP 5 -4.861 4.016 1.320
27 HB2 ASP 5 HB2 ASP 5 -6.618 2.453 3.226
28 HB3 ASP 5 HB1 ASP 5 -5.508 1.780 2.048
29 H GLU 6 H GLU 6 -5.647 3.103 -0.491
30 HA GLU 6 HA GLU 6 -8.149 3.914 -1.501
31 HB2 GLU 6 HB2 GLU 6 -6.230 3.622 -2.943
32 HB3 GLU 6 HB1 GLU 6 -6.047 1.955 -2.441
33 HG2 GLU 6 HG2 GLU 6 -6.931 2.159 -4.702
34 HG3 GLU 6 HG1 GLU 6 -8.058 1.343 -3.623
35 H LYS 7 H LYS 7 -10.040 2.732 -1.805
36 HA LYS 7 HA LYS 7 -10.410 0.530 -0.003
37 HB2 LYS 7 HB2 LYS 7 -12.783 0.805 -0.624
38 HB3 LYS 7 HB1 LYS 7 -12.049 2.246 0.068
39 HG2 LYS 7 HG2 LYS 7 -11.749 3.108 -2.264
40 HG3 LYS 7 HG1 LYS 7 -12.679 1.723 -2.829
41 HD2 LYS 7 HD2 LYS 7 -13.602 3.743 -0.840
42 HD3 LYS 7 HD1 LYS 7 -14.041 3.768 -2.557
43 HE2 LYS 7 HE2 LYS 7 -15.043 1.544 -2.266
44 HE3 LYS 7 HE1 LYS 7 -14.635 1.619 -0.553
45 HZ1 LYS 7 HZ1 LYS 7 -16.931 2.236 -0.908
46 HZ2 LYS 7 HZ2 LYS 7 -16.469 3.454 -1.988
47 HZ3 LYS 7 HZ3 LYS 7 -16.062 3.582 -0.367
48 H ASN 8 H ASN 8 -9.962 1.118 -3.265
49 HA ASN 8 HA ASN 8 -11.089 -1.394 -4.271
50 HB2 ASN 8 HB2 ASN 8 -9.585 0.829 -5.661
51 HB3 ASN 8 HB1 ASN 8 -10.194 -0.605 -6.480
52 HD21 ASN 8 HD21 ASN 8 -11.038 2.369 -4.878
53 HD22 ASN 8 HD22 ASN 8 -12.666 2.413 -5.410
54 H PHE 9 H PHE 9 -8.664 -1.036 -2.478
55 HA PHE 9 HA PHE 9 -6.907 -2.951 -3.819
56 HB2 PHE 9 HB2 PHE 9 -6.217 -0.427 -3.936
57 HB3 PHE 9 HB1 PHE 9 -5.868 -0.646 -2.224
58 HD1 PHE 9 HD1 PHE 9 -5.131 -1.838 -5.583
59 HD2 PHE 9 HD2 PHE 9 -3.930 -1.768 -1.528
60 HE1 PHE 9 HE1 PHE 9 -3.025 -2.793 -6.224
61 HE2 PHE 9 HE2 PHE 9 -1.771 -2.735 -2.152
62 HZ PHE 9 HZ PHE 9 -1.281 -3.229 -4.495
63 H ASP 10 H ASP 10 -6.471 -4.517 -2.240
64 HA ASP 10 HA ASP 10 -7.552 -3.904 0.405
65 HB2 ASP 10 HB2 ASP 10 -8.055 -6.118 -0.779
66 HB3 ASP 10 HB1 ASP 10 -6.394 -6.568 -0.412
67 H CYS 11 H CYS 11 -6.154 -2.667 1.411
68 HA CYS 11 HA CYS 11 -3.375 -2.890 1.110
69 HB2 CYS 11 HB2 CYS 11 -4.915 -1.407 3.239
70 HB3 CYS 11 HB1 CYS 11 -3.235 -1.171 2.794
71 H ARG 12 H ARG 12 -5.600 -4.302 3.385
72 HA ARG 12 HA ARG 12 -3.604 -5.000 5.296
73 HB2 ARG 12 HB2 ARG 12 -6.333 -6.204 4.834
74 HB3 ARG 12 HB1 ARG 12 -5.300 -6.553 6.213
75 HG2 ARG 12 HG2 ARG 12 -6.516 -3.892 5.515
76 HG3 ARG 12 HG1 ARG 12 -7.019 -4.993 6.798
77 HD2 ARG 12 HD2 ARG 12 -4.843 -4.690 7.914
78 HD3 ARG 12 HD1 ARG 12 -4.314 -3.641 6.604
79 HE ARG 12 HE ARG 12 -6.701 -2.844 8.025
80 HH11 ARG 12 HH11 ARG 12 -3.220 -2.404 7.631
81 HH12 ARG 12 HH12 ARG 12 -3.182 -0.888 8.419
82 HH21 ARG 12 HH21 ARG 12 -6.625 -0.782 9.121
83 HH22 ARG 12 HH22 ARG 12 -5.140 0.047 9.263
84 H ARG 13 H ARG 13 -5.228 -6.769 2.739
85 HA ARG 13 HA ARG 13 -3.815 -9.179 2.919
86 HB2 ARG 13 HB2 ARG 13 -5.807 -8.829 1.485
87 HB3 ARG 13 HB1 ARG 13 -4.850 -7.805 0.436
88 HG2 ARG 13 HG2 ARG 13 -3.471 -9.693 -0.198
89 HG3 ARG 13 HG1 ARG 13 -4.371 -10.738 0.903
90 HD2 ARG 13 HD2 ARG 13 -5.175 -11.015 -1.381
91 HD3 ARG 13 HD1 ARG 13 -6.421 -10.298 -0.362
92 HE ARG 13 HE ARG 13 -4.764 -8.465 -1.884
93 HH11 ARG 13 HH11 ARG 13 -7.881 -10.169 -1.709
94 HH12 ARG 13 HH12 ARG 13 -8.650 -9.116 -2.810
95 HH21 ARG 13 HH21 ARG 13 -5.865 -7.067 -3.419
96 HH22 ARG 13 HH22 ARG 13 -7.507 -7.355 -3.779
97 H SER 14 H SER 14 -3.049 -6.221 1.173
98 HA SER 14 HA SER 14 -0.702 -7.139 -0.073
99 HB2 SER 14 HB2 SER 14 -1.450 -4.327 0.747
100 HB3 SER 14 HB1 SER 14 -0.246 -4.756 -0.467
101 HG SER 14 HG SER 14 -3.032 -4.904 -0.565
102 H LEU 15 H LEU 15 -1.318 -5.808 3.114
103 HA LEU 15 HA LEU 15 1.423 -5.463 3.777
104 HB2 LEU 15 HB2 LEU 15 -0.493 -4.220 4.821
105 HB3 LEU 15 HB1 LEU 15 -0.942 -5.702 5.636
106 HG LEU 15 HG LEU 15 1.246 -5.676 6.813
107 HD11 LEU 15 HD11 LEU 15 2.511 -4.404 5.182
108 HD12 LEU 15 HD12 LEU 15 2.585 -3.628 6.765
109 HD13 LEU 15 HD13 LEU 15 1.536 -2.974 5.506
110 HD21 LEU 15 HD21 LEU 15 0.688 -3.849 8.330
111 HD22 LEU 15 HD22 LEU 15 -0.761 -4.745 7.860
112 HD23 LEU 15 HD23 LEU 15 -0.410 -3.178 7.125
113 H ARG 16 H ARG 16 -1.027 -7.896 4.367
114 HA ARG 16 HA ARG 16 0.454 -9.634 6.004
115 HB2 ARG 16 HB2 ARG 16 -1.893 -10.155 4.172
116 HB3 ARG 16 HB1 ARG 16 -1.264 -11.333 5.316
117 HG2 ARG 16 HG2 ARG 16 -1.865 -9.965 7.178
118 HG3 ARG 16 HG1 ARG 16 -2.237 -8.605 6.123
119 HD2 ARG 16 HD2 ARG 16 -4.268 -9.675 6.925
120 HD3 ARG 16 HD1 ARG 16 -4.119 -9.844 5.180
121 HE ARG 16 HE ARG 16 -3.022 -12.099 6.429
122 HH11 ARG 16 HH11 ARG 16 -6.200 -10.592 5.979
123 HH12 ARG 16 HH12 ARG 16 -7.065 -12.051 5.961
124 HH21 ARG 16 HH21 ARG 16 -4.170 -14.089 6.442
125 HH22 ARG 16 HH22 ARG 16 -5.878 -14.123 6.243
126 H ASN 17 H ASN 17 0.323 -9.298 2.536
127 HA ASN 17 HA ASN 17 1.823 -11.741 2.115
128 HB2 ASN 17 HB2 ASN 17 0.742 -9.685 0.225
129 HB3 ASN 17 HB1 ASN 17 1.906 -10.883 -0.319
130 HD21 ASN 17 HD21 ASN 17 -1.288 -10.365 0.895
131 HD22 ASN 17 HD22 ASN 17 -1.938 -11.894 0.445
132 H GLY 18 H GLY 18 2.497 -8.270 1.913
133 HA2 GLY 18 HA2 GLY 18 4.880 -7.881 2.749
134 HA3 GLY 18 HA1 GLY 18 5.317 -9.024 1.500
135 H ASP 19 H ASP 19 2.819 -7.458 0.204
136 HA ASP 19 HA ASP 19 4.297 -6.135 -1.806
137 HB2 ASP 19 HB2 ASP 19 1.417 -5.800 -0.962
138 HB3 ASP 19 HB1 ASP 19 2.099 -5.112 -2.426
139 H CYS 20 H CYS 20 2.797 -5.079 1.110
140 HA CYS 20 HA CYS 20 2.954 -2.272 0.537
141 HB2 CYS 20 HB2 CYS 20 1.116 -3.301 1.805
142 HB3 CYS 20 HB1 CYS 20 2.260 -3.792 3.036
143 H ASP 21 H ASP 21 5.180 -4.534 1.687
144 HA ASP 21 HA ASP 21 6.719 -2.434 3.086
145 HB2 ASP 21 HB2 ASP 21 6.061 -4.283 4.532
146 HB3 ASP 21 HB1 ASP 21 6.788 -5.436 3.423
147 H ASN 22 H ASN 22 6.511 -4.096 0.290
148 HA ASN 22 HA ASN 22 9.299 -4.678 -0.161
149 HB2 ASN 22 HB2 ASN 22 7.390 -5.987 -1.168
150 HB3 ASN 22 HB1 ASN 22 7.054 -4.589 -2.181
151 HD21 ASN 22 HD21 ASN 22 9.143 -7.224 -1.579
152 HD22 ASN 22 HD22 ASN 22 10.085 -7.125 -3.014
153 H ASP 23 H ASP 23 10.706 -3.163 -0.630
154 HA ASP 23 HA ASP 23 10.194 -0.454 -0.957
155 HB2 ASP 23 HB2 ASP 23 12.332 -1.319 -0.205
156 HB3 ASP 23 HB1 ASP 23 12.646 -1.997 -1.798
157 H ASP 24 H ASP 24 10.702 -2.900 -3.385
158 HA ASP 24 HA ASP 24 10.927 -1.054 -5.552
159 HB2 ASP 24 HB2 ASP 24 10.605 -4.029 -5.461
160 HB3 ASP 24 HB1 ASP 24 10.550 -3.150 -6.981
161 H LYS 25 H LYS 25 8.244 -2.206 -3.855
162 HA LYS 25 HA LYS 25 6.503 -1.514 -6.124
163 HB2 LYS 25 HB2 LYS 25 5.769 -3.044 -3.640
164 HB3 LYS 25 HB1 LYS 25 4.819 -2.875 -5.114
165 HG2 LYS 25 HG2 LYS 25 6.449 -4.137 -6.357
166 HG3 LYS 25 HG1 LYS 25 7.484 -4.240 -4.936
167 HD2 LYS 25 HD2 LYS 25 6.424 -6.279 -4.976
168 HD3 LYS 25 HD1 LYS 25 5.526 -5.294 -3.812
169 HE2 LYS 25 HE2 LYS 25 3.755 -4.888 -5.339
170 HE3 LYS 25 HE1 LYS 25 4.671 -5.543 -6.691
171 HZ1 LYS 25 HZ1 LYS 25 4.541 -7.736 -5.537
172 HZ2 LYS 25 HZ2 LYS 25 3.084 -7.136 -6.075
173 HZ3 LYS 25 HZ3 LYS 25 3.434 -7.067 -4.446
174 H LEU 26 H LEU 26 7.785 -0.292 -3.438
175 HA LEU 26 HA LEU 26 5.686 0.800 -2.005
176 HB2 LEU 26 HB2 LEU 26 8.490 1.780 -2.225
177 HB3 LEU 26 HB1 LEU 26 7.297 2.619 -1.255
178 HG LEU 26 HG LEU 26 8.230 -0.219 -0.863
179 HD11 LEU 26 HD11 LEU 26 9.856 1.491 -0.200
180 HD12 LEU 26 HD12 LEU 26 9.187 0.651 1.201
181 HD13 LEU 26 HD13 LEU 26 8.622 2.269 0.790
182 HD21 LEU 26 HD21 LEU 26 5.891 -0.045 -0.246
183 HD22 LEU 26 HD22 LEU 26 6.215 1.421 0.671
184 HD23 LEU 26 HD23 LEU 26 6.880 -0.120 1.213
185 H LEU 27 H LEU 27 7.061 2.222 -4.980
186 HA LEU 27 HA LEU 27 5.966 4.734 -4.757
187 HB2 LEU 27 HB2 LEU 27 7.565 3.616 -6.453
188 HB3 LEU 27 HB1 LEU 27 6.108 3.059 -7.227
189 HG LEU 27 HG LEU 27 7.250 4.927 -8.204
190 HD11 LEU 27 HD11 LEU 27 5.183 6.251 -8.713
191 HD12 LEU 27 HD12 LEU 27 4.403 5.485 -7.331
192 HD13 LEU 27 HD13 LEU 27 4.873 4.512 -8.727
193 HD21 LEU 27 HD21 LEU 27 6.941 7.195 -7.294
194 HD22 LEU 27 HD22 LEU 27 7.911 6.156 -6.243
195 HD23 LEU 27 HD23 LEU 27 6.223 6.483 -5.854
196 H GLU 28 H GLU 28 4.753 1.744 -6.136
197 HA GLU 28 HA GLU 28 2.191 2.668 -6.833
198 HB2 GLU 28 HB2 GLU 28 3.266 0.714 -7.845
199 HB3 GLU 28 HB1 GLU 28 3.205 -0.126 -6.308
200 HG2 GLU 28 HG2 GLU 28 0.815 -0.217 -6.401
201 HG3 GLU 28 HG1 GLU 28 0.795 0.780 -7.858
202 H MET 29 H MET 29 3.569 1.403 -3.903
203 HA MET 29 HA MET 29 1.009 0.802 -2.750
204 HB2 MET 29 HB2 MET 29 3.778 0.708 -1.601
205 HB3 MET 29 HB1 MET 29 2.343 0.322 -0.677
206 HG2 MET 29 HG2 MET 29 3.376 -1.109 -3.109
207 HG3 MET 29 HG1 MET 29 3.335 -1.718 -1.456
208 HE1 MET 29 HE1 MET 29 -0.629 -1.798 -0.901
209 HE2 MET 29 HE2 MET 29 0.388 -0.370 -0.765
210 HE3 MET 29 3HE MET 29 0.948 -1.905 -0.111
211 H GLY 30 H GLY 30 2.991 3.481 -2.976
212 HA2 GLY 30 HA2 GLY 30 2.100 4.686 -0.537
213 HA3 GLY 30 HA1 GLY 30 3.002 5.540 -1.757
214 H TYR 31 H TYR 31 1.188 4.986 -3.929
215 HA TYR 31 HA TYR 31 -0.826 6.825 -3.126
216 HB2 TYR 31 HB2 TYR 31 -1.685 6.722 -5.489
217 HB3 TYR 31 HB1 TYR 31 -0.049 7.319 -5.222
218 HD1 TYR 31 HD1 TYR 31 -1.971 4.370 -6.353
219 HD2 TYR 31 HD2 TYR 31 1.732 6.428 -6.372
220 HE1 TYR 31 HE1 TYR 31 -1.166 2.884 -8.092
221 HE2 TYR 31 HE2 TYR 31 2.574 4.952 -8.089
222 HH TYR 31 HH TYR 31 0.482 2.743 -9.766
223 H TYR 32 H TYR 32 -0.688 3.532 -3.747
224 HA TYR 32 HA TYR 32 -3.499 3.217 -3.474
225 HB2 TYR 32 HB2 TYR 32 -1.301 1.200 -3.660
226 HB3 TYR 32 HB1 TYR 32 -2.835 0.676 -3.000
227 HD1 TYR 32 HD1 TYR 32 -1.048 0.798 -5.927
228 HD2 TYR 32 HD2 TYR 32 -4.893 1.728 -4.399
229 HE1 TYR 32 HE1 TYR 32 -2.008 0.558 -8.183
230 HE2 TYR 32 HE2 TYR 32 -5.860 1.492 -6.632
231 HH TYR 32 HH TYR 32 -5.135 1.635 -8.904
232 H CYS 33 H CYS 33 -0.894 2.569 -1.077
233 HA CYS 33 HA CYS 33 -3.020 2.872 0.892
234 HB2 CYS 33 HB2 CYS 33 -0.933 0.700 1.025
235 HB3 CYS 33 HB1 CYS 33 -2.288 0.965 2.120
236 HA PRO 34 HA PRO 34 0.731 5.428 1.892
237 HB2 PRO 34 HB2 PRO 34 -0.636 7.621 2.735
238 HB3 PRO 34 HB1 PRO 34 -0.231 7.332 1.037
239 HG2 PRO 34 HG2 PRO 34 -2.786 6.761 2.491
240 HG3 PRO 34 HG1 PRO 34 -2.565 7.542 0.921
241 HD2 PRO 34 HD2 PRO 34 -3.251 4.982 1.106
242 HD3 PRO 34 HD1 PRO 34 -2.134 5.532 -0.160
243 H VAL 35 H VAL 35 -2.161 4.598 3.595
244 HA VAL 35 HA VAL 35 -1.086 5.464 6.118
245 HB VAL 35 HB VAL 35 -3.700 4.044 5.578
246 HG11 VAL 35 HG11 VAL 35 -4.324 4.803 7.830
247 HG12 VAL 35 HG12 VAL 35 -2.706 5.480 8.040
248 HG13 VAL 35 3HG1 VAL 35 -2.915 3.737 7.877
249 HG21 VAL 35 HG21 VAL 35 -3.063 6.947 6.029
250 HG22 VAL 35 HG22 VAL 35 -4.689 6.268 5.835
251 HG23 VAL 35 HG23 VAL 35 -3.521 6.206 4.503
252 H THR 36 H THR 36 -2.152 2.437 4.644
253 HA THR 36 HA THR 36 -1.372 0.757 6.752
254 HB THR 36 HB THR 36 -1.621 0.061 3.821
255 HG1 THR 36 HG1 THR 36 -3.505 1.036 4.925
256 HG21 THR 36 HG21 THR 36 -0.474 -1.684 5.127
257 HG22 THR 36 HG22 THR 36 -2.082 -2.213 4.631
258 HG23 THR 36 HG23 THR 36 -1.802 -1.680 6.288
259 H CYS 37 H CYS 37 0.442 1.876 3.934
260 HA CYS 37 HA CYS 37 2.681 0.249 4.655
261 HB2 CYS 37 HB2 CYS 37 2.312 2.278 2.470
262 HB3 CYS 37 HB1 CYS 37 3.780 1.310 2.670
263 H GLY 38 H GLY 38 1.570 2.870 6.078
264 HA2 GLY 38 HA2 GLY 38 2.482 4.092 7.755
265 HA3 GLY 38 HA1 GLY 38 3.967 3.198 7.521
266 H PHE 39 H PHE 39 2.282 5.418 5.302
267 HA PHE 39 HA PHE 39 4.746 6.934 5.172
268 HB2 PHE 39 HB2 PHE 39 2.127 7.221 3.672
269 HB3 PHE 39 HB1 PHE 39 3.476 8.334 3.472
270 HD1 PHE 39 HD1 PHE 39 5.431 7.703 2.243
271 HD2 PHE 39 HD2 PHE 39 2.288 4.915 2.875
272 HE1 PHE 39 HE1 PHE 39 6.423 6.228 0.553
273 HE2 PHE 39 HE2 PHE 39 3.287 3.423 1.166
274 HZ PHE 39 HZ PHE 39 5.348 4.081 0.014
275 HA CYS 40 HA CYS 40 2.261 9.713 7.722
276 HB2 CYS 40 HB2 CYS 40 -0.544 8.711 7.234
277 HB3 CYS 40 HB1 CYS 40 -0.046 10.328 7.718
278 HN1 NH2 41 H1 CYS 40 3.298 8.159 9.269
279 HN2 NH2 41 H2 CYS 40 2.314 7.457 10.503
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 -5.226 16.740 -2.234
2 H2 GLU 1 HT2 GLU 1 -5.724 16.648 -0.634
3 H3 GLU 1 HT3 GLU 1 -5.949 15.331 -1.674
4 HA GLU 1 HA GLU 1 -3.587 15.025 -1.895
5 HB2 GLU 1 HB2 GLU 1 -2.009 16.302 -0.647
6 HB3 GLU 1 HB1 GLU 1 -3.026 17.453 -1.501
7 HG2 GLU 1 HG2 GLU 1 -4.274 17.903 0.533
8 HG3 GLU 1 HG1 GLU 1 -3.352 16.648 1.366
9 H HIS 2 H HIS 2 -6.092 14.781 0.258
10 HA HIS 2 HA HIS 2 -4.778 13.993 2.603
11 HB2 HIS 2 HB2 HIS 2 -7.162 14.656 2.551
12 HB3 HIS 2 HB1 HIS 2 -7.530 13.261 1.549
13 HD1 HIS 2 HD1 HIS 2 -8.655 11.471 2.917
14 HD2 HIS 2 HD2 HIS 2 -5.866 13.619 5.134
15 HE1 HIS 2 HE1 HIS 2 -8.740 10.538 5.237
16 H CYS 3 H CYS 3 -3.419 12.442 2.629
17 HA CYS 3 HA CYS 3 -3.684 10.208 0.825
18 HB2 CYS 3 HB2 CYS 3 -1.491 9.452 1.722
19 HB3 CYS 3 HB1 CYS 3 -1.450 11.094 1.102
20 H ALA 4 H ALA 4 -5.011 8.652 1.269
21 HA ALA 4 HA ALA 4 -4.932 7.392 3.876
22 HB1 ALA 4 HB1 ALA 4 -7.468 8.248 2.481
23 HB2 ALA 4 HB2 ALA 4 -6.835 8.940 3.975
24 HB3 ALA 4 HB3 ALA 4 -7.384 7.262 3.941
25 H ASP 5 H ASP 5 -5.768 5.232 3.754
26 HA ASP 5 HA ASP 5 -4.789 3.812 1.532
27 HB2 ASP 5 HB2 ASP 5 -6.799 2.792 3.525
28 HB3 ASP 5 HB1 ASP 5 -5.736 1.829 2.515
29 H GLU 6 H GLU 6 -5.679 3.017 -0.277
30 HA GLU 6 HA GLU 6 -8.143 4.018 -1.168
31 HB2 GLU 6 HB2 GLU 6 -6.276 3.526 -2.673
32 HB3 GLU 6 HB1 GLU 6 -6.360 1.829 -2.242
33 HG2 GLU 6 HG2 GLU 6 -7.343 2.283 -4.406
34 HG3 GLU 6 HG1 GLU 6 -8.525 1.636 -3.264
35 H LYS 7 H LYS 7 -10.080 3.198 -0.956
36 HA LYS 7 HA LYS 7 -10.421 0.784 0.599
37 HB2 LYS 7 HB2 LYS 7 -12.767 1.422 0.723
38 HB3 LYS 7 HB1 LYS 7 -11.700 2.727 1.214
39 HG2 LYS 7 HG2 LYS 7 -11.985 3.721 -1.047
40 HG3 LYS 7 HG1 LYS 7 -13.178 2.469 -1.390
41 HD2 LYS 7 HD2 LYS 7 -14.404 4.357 -0.668
42 HD3 LYS 7 HD1 LYS 7 -14.358 3.187 0.662
43 HE2 LYS 7 HE2 LYS 7 -12.598 4.439 1.772
44 HE3 LYS 7 HE1 LYS 7 -12.536 5.581 0.431
45 HZ1 LYS 7 HZ1 LYS 7 -14.815 5.154 2.276
46 HZ2 LYS 7 HZ2 LYS 7 -14.825 6.222 0.972
47 HZ3 LYS 7 HZ3 LYS 7 -13.791 6.489 2.257
48 H ASN 8 H ASN 8 -10.337 1.662 -2.599
49 HA ASN 8 HA ASN 8 -11.941 -0.610 -3.535
50 HB2 ASN 8 HB2 ASN 8 -10.333 1.428 -5.116
51 HB3 ASN 8 HB1 ASN 8 -11.347 0.183 -5.823
52 HD21 ASN 8 HD21 ASN 8 -13.467 0.604 -3.737
53 HD22 ASN 8 HD22 ASN 8 -14.232 2.074 -4.200
54 H PHE 9 H PHE 9 -9.343 -0.658 -2.013
55 HA PHE 9 HA PHE 9 -7.844 -2.570 -3.675
56 HB2 PHE 9 HB2 PHE 9 -6.909 -0.167 -3.548
57 HB3 PHE 9 HB1 PHE 9 -6.612 -0.521 -1.851
58 HD1 PHE 9 HD1 PHE 9 -5.966 -1.709 -5.248
59 HD2 PHE 9 HD2 PHE 9 -4.671 -1.628 -1.224
60 HE1 PHE 9 HE1 PHE 9 -3.923 -2.755 -5.920
61 HE2 PHE 9 HE2 PHE 9 -2.565 -2.690 -1.873
62 HZ PHE 9 HZ PHE 9 -2.154 -3.256 -4.228
63 H ASP 10 H ASP 10 -6.818 -4.160 -2.233
64 HA ASP 10 HA ASP 10 -7.888 -4.067 0.506
65 HB2 ASP 10 HB2 ASP 10 -8.279 -6.158 -0.963
66 HB3 ASP 10 HB1 ASP 10 -6.566 -6.491 -0.727
67 H CYS 11 H CYS 11 -6.502 -2.854 1.572
68 HA CYS 11 HA CYS 11 -3.734 -2.749 1.047
69 HB2 CYS 11 HB2 CYS 11 -5.329 -1.720 3.388
70 HB3 CYS 11 HB1 CYS 11 -3.652 -1.308 3.036
71 H ARG 12 H ARG 12 -5.687 -4.592 3.250
72 HA ARG 12 HA ARG 12 -3.596 -5.383 4.995
73 HB2 ARG 12 HB2 ARG 12 -6.177 -6.755 4.322
74 HB3 ARG 12 HB1 ARG 12 -5.086 -7.249 5.603
75 HG2 ARG 12 HG2 ARG 12 -6.612 -4.666 5.427
76 HG3 ARG 12 HG1 ARG 12 -6.943 -6.044 6.481
77 HD2 ARG 12 HD2 ARG 12 -4.544 -4.213 6.539
78 HD3 ARG 12 HD1 ARG 12 -5.813 -4.328 7.749
79 HE ARG 12 HE ARG 12 -4.747 -6.841 7.610
80 HH11 ARG 12 HH11 ARG 12 -3.639 -3.600 8.469
81 HH12 ARG 12 HH12 ARG 12 -2.304 -4.113 9.372
82 HH21 ARG 12 HH21 ARG 12 -2.854 -7.591 8.861
83 HH22 ARG 12 HH22 ARG 12 -1.831 -6.436 9.566
84 H ARG 13 H ARG 13 -5.049 -6.811 2.154
85 HA ARG 13 HA ARG 13 -3.589 -9.179 2.074
86 HB2 ARG 13 HB2 ARG 13 -5.550 -8.666 0.623
87 HB3 ARG 13 HB1 ARG 13 -4.528 -7.595 -0.321
88 HG2 ARG 13 HG2 ARG 13 -3.108 -9.490 -0.927
89 HG3 ARG 13 HG1 ARG 13 -4.145 -10.554 0.016
90 HD2 ARG 13 HD2 ARG 13 -4.715 -10.707 -2.339
91 HD3 ARG 13 HD1 ARG 13 -6.045 -9.977 -1.440
92 HE ARG 13 HE ARG 13 -4.324 -8.003 -2.468
93 HH11 ARG 13 HH11 ARG 13 -6.847 -10.256 -3.557
94 HH12 ARG 13 HH12 ARG 13 -7.315 -9.255 -4.857
95 HH21 ARG 13 HH21 ARG 13 -4.979 -6.714 -4.241
96 HH22 ARG 13 HH22 ARG 13 -6.253 -7.247 -5.251
97 H SER 14 H SER 14 -2.790 -6.045 0.551
98 HA SER 14 HA SER 14 -0.343 -6.962 -0.491
99 HB2 SER 14 HB2 SER 14 -1.248 -4.157 0.152
100 HB3 SER 14 HB1 SER 14 0.173 -4.564 -0.815
101 HG SER 14 HG SER 14 -1.090 -5.446 -2.340
102 H LEU 15 H LEU 15 -1.192 -5.761 2.671
103 HA LEU 15 HA LEU 15 1.501 -5.361 3.493
104 HB2 LEU 15 HB2 LEU 15 -0.409 -4.232 4.569
105 HB3 LEU 15 HB1 LEU 15 -0.984 -5.775 5.151
106 HG LEU 15 HG LEU 15 0.967 -6.001 6.601
107 HD11 LEU 15 HD11 LEU 15 2.600 -4.829 5.219
108 HD12 LEU 15 HD12 LEU 15 2.561 -4.158 6.848
109 HD13 LEU 15 HD13 LEU 15 1.775 -3.300 5.521
110 HD21 LEU 15 HD21 LEU 15 -0.375 -3.319 6.847
111 HD22 LEU 15 HD22 LEU 15 0.469 -4.167 8.138
112 HD23 LEU 15 HD23 LEU 15 -1.005 -4.851 7.450
113 H ARG 16 H ARG 16 -0.840 -7.949 3.884
114 HA ARG 16 HA ARG 16 0.851 -9.639 5.387
115 HB2 ARG 16 HB2 ARG 16 -1.516 -10.362 3.659
116 HB3 ARG 16 HB1 ARG 16 -0.741 -11.440 4.811
117 HG2 ARG 16 HG2 ARG 16 -1.326 -9.865 6.621
118 HG3 ARG 16 HG1 ARG 16 -2.174 -8.871 5.441
119 HD2 ARG 16 HD2 ARG 16 -2.814 -11.739 6.104
120 HD3 ARG 16 HD1 ARG 16 -3.698 -10.336 6.682
121 HE ARG 16 HE ARG 16 -4.242 -9.889 4.309
122 HH11 ARG 16 HH11 ARG 16 -3.358 -13.197 5.265
123 HH12 ARG 16 HH12 ARG 16 -4.309 -13.948 4.084
124 HH21 ARG 16 HH21 ARG 16 -5.574 -10.944 2.669
125 HH22 ARG 16 HH22 ARG 16 -5.592 -12.643 2.577
126 H ASN 17 H ASN 17 0.358 -9.257 1.952
127 HA ASN 17 HA ASN 17 2.006 -11.462 1.153
128 HB2 ASN 17 HB2 ASN 17 0.931 -9.072 -0.259
129 HB3 ASN 17 HB1 ASN 17 2.245 -9.969 -1.001
130 HD21 ASN 17 HD21 ASN 17 -1.026 -10.045 0.014
131 HD22 ASN 17 HD22 ASN 17 -1.494 -11.451 -0.883
132 H GLY 18 H GLY 18 2.600 -8.191 1.987
133 HA2 GLY 18 HA2 GLY 18 4.737 -7.595 2.911
134 HA3 GLY 18 HA1 GLY 18 5.472 -8.772 1.830
135 H ASP 19 H ASP 19 3.237 -7.274 0.013
136 HA ASP 19 HA ASP 19 5.113 -5.874 -1.603
137 HB2 ASP 19 HB2 ASP 19 2.100 -5.571 -1.505
138 HB3 ASP 19 HB1 ASP 19 3.138 -4.915 -2.761
139 H CYS 20 H CYS 20 3.042 -4.989 0.930
140 HA CYS 20 HA CYS 20 3.121 -2.168 0.784
141 HB2 CYS 20 HB2 CYS 20 1.526 -3.632 2.060
142 HB3 CYS 20 HB1 CYS 20 2.834 -3.924 3.194
143 H ASP 21 H ASP 21 5.482 -4.499 1.919
144 HA ASP 21 HA ASP 21 7.050 -2.308 3.106
145 HB2 ASP 21 HB2 ASP 21 6.430 -4.067 4.744
146 HB3 ASP 21 HB1 ASP 21 7.198 -5.274 3.725
147 H ASN 22 H ASN 22 6.798 -4.145 0.423
148 HA ASN 22 HA ASN 22 9.563 -4.779 0.005
149 HB2 ASN 22 HB2 ASN 22 7.847 -6.193 -1.022
150 HB3 ASN 22 HB1 ASN 22 7.216 -4.814 -1.911
151 HD21 ASN 22 HD21 ASN 22 9.786 -7.120 -1.683
152 HD22 ASN 22 HD22 ASN 22 10.493 -6.791 -3.228
153 H ASP 23 H ASP 23 11.051 -3.499 -0.856
154 HA ASP 23 HA ASP 23 10.622 -0.755 -1.106
155 HB2 ASP 23 HB2 ASP 23 12.950 -2.468 -1.853
156 HB3 ASP 23 HB1 ASP 23 12.933 -0.756 -2.266
157 H ASP 24 H ASP 24 10.798 -3.145 -3.652
158 HA ASP 24 HA ASP 24 10.722 -1.259 -5.784
159 HB2 ASP 24 HB2 ASP 24 11.514 -3.522 -6.197
160 HB3 ASP 24 HB1 ASP 24 9.962 -4.188 -5.716
161 H LYS 25 H LYS 25 8.292 -2.703 -3.782
162 HA LYS 25 HA LYS 25 6.167 -1.753 -5.539
163 HB2 LYS 25 HB2 LYS 25 5.896 -3.391 -3.005
164 HB3 LYS 25 HB1 LYS 25 4.665 -3.078 -4.219
165 HG2 LYS 25 HG2 LYS 25 7.158 -4.668 -4.643
166 HG3 LYS 25 HG1 LYS 25 5.533 -5.308 -4.387
167 HD2 LYS 25 HD2 LYS 25 4.787 -4.128 -6.407
168 HD3 LYS 25 HD1 LYS 25 6.438 -3.564 -6.654
169 HE2 LYS 25 HE2 LYS 25 5.641 -6.414 -6.446
170 HE3 LYS 25 HE1 LYS 25 5.845 -5.576 -7.995
171 HZ1 LYS 25 HZ1 LYS 25 7.971 -6.077 -5.939
172 HZ2 LYS 25 HZ2 LYS 25 8.184 -5.154 -7.345
173 HZ3 LYS 25 HZ3 LYS 25 7.847 -6.796 -7.456
174 H LEU 26 H LEU 26 7.966 -0.416 -3.114
175 HA LEU 26 HA LEU 26 6.065 0.594 -1.348
176 HB2 LEU 26 HB2 LEU 26 8.754 1.699 -2.090
177 HB3 LEU 26 HB1 LEU 26 7.727 2.445 -0.885
178 HG LEU 26 HG LEU 26 8.813 -0.354 -0.745
179 HD11 LEU 26 HD11 LEU 26 9.587 2.147 0.769
180 HD12 LEU 26 HD12 LEU 26 10.553 1.369 -0.480
181 HD13 LEU 26 HD13 LEU 26 10.245 0.535 1.043
182 HD21 LEU 26 HD21 LEU 26 6.691 -0.162 0.404
183 HD22 LEU 26 HD22 LEU 26 7.255 1.279 1.248
184 HD23 LEU 26 HD23 LEU 26 8.006 -0.283 1.571
185 H LEU 27 H LEU 27 7.228 2.108 -4.360
186 HA LEU 27 HA LEU 27 5.846 4.481 -4.094
187 HB2 LEU 27 HB2 LEU 27 7.523 4.125 -5.775
188 HB3 LEU 27 HB1 LEU 27 6.563 2.849 -6.510
189 HG LEU 27 HG LEU 27 4.808 4.525 -6.754
190 HD11 LEU 27 HD11 LEU 27 5.628 6.298 -5.361
191 HD12 LEU 27 HD12 LEU 27 5.507 6.890 -7.013
192 HD13 LEU 27 HD13 LEU 27 7.085 6.459 -6.347
193 HD21 LEU 27 HD21 LEU 27 7.295 4.708 -8.412
194 HD22 LEU 27 HD22 LEU 27 5.721 5.366 -8.899
195 HD23 LEU 27 HD23 LEU 27 5.905 3.633 -8.598
196 H GLU 28 H GLU 28 4.985 1.394 -5.471
197 HA GLU 28 HA GLU 28 2.468 1.934 -6.574
198 HB2 GLU 28 HB2 GLU 28 3.410 -0.619 -5.264
199 HB3 GLU 28 HB1 GLU 28 2.118 -0.466 -6.439
200 HG2 GLU 28 HG2 GLU 28 5.016 0.127 -6.972
201 HG3 GLU 28 HG1 GLU 28 4.196 -1.378 -7.378
202 H MET 29 H MET 29 3.563 1.188 -3.404
203 HA MET 29 HA MET 29 0.867 0.742 -2.459
204 HB2 MET 29 HB2 MET 29 3.533 0.330 -1.169
205 HB3 MET 29 HB1 MET 29 2.020 0.129 -0.293
206 HG2 MET 29 HG2 MET 29 2.944 -1.392 -2.714
207 HG3 MET 29 HG1 MET 29 2.784 -2.034 -1.088
208 HE1 MET 29 HE1 MET 29 0.306 -1.914 0.187
209 HE2 MET 29 HE2 MET 29 -1.197 -1.591 -0.688
210 HE3 MET 29 3HE MET 29 -0.007 -0.307 -0.467
211 H GLY 30 H GLY 30 3.090 3.198 -2.573
212 HA2 GLY 30 HA2 GLY 30 2.261 4.646 -0.263
213 HA3 GLY 30 HA1 GLY 30 3.155 5.324 -1.613
214 H TYR 31 H TYR 31 1.311 4.735 -3.665
215 HA TYR 31 HA TYR 31 -0.609 6.724 -2.969
216 HB2 TYR 31 HB2 TYR 31 -1.407 6.588 -5.355
217 HB3 TYR 31 HB1 TYR 31 0.234 7.144 -5.030
218 HD1 TYR 31 HD1 TYR 31 -1.685 4.158 -6.110
219 HD2 TYR 31 HD2 TYR 31 1.999 6.249 -6.175
220 HE1 TYR 31 HE1 TYR 31 -0.855 2.617 -7.790
221 HE2 TYR 31 HE2 TYR 31 2.868 4.721 -7.843
222 HH TYR 31 HH TYR 31 2.466 2.437 -8.726
223 H TYR 32 H TYR 32 -0.606 3.438 -3.428
224 HA TYR 32 HA TYR 32 -3.466 3.245 -3.299
225 HB2 TYR 32 HB2 TYR 32 -1.369 1.129 -3.342
226 HB3 TYR 32 HB1 TYR 32 -2.961 0.702 -2.735
227 HD1 TYR 32 HD1 TYR 32 -4.876 1.908 -4.301
228 HD2 TYR 32 HD2 TYR 32 -1.064 0.512 -5.562
229 HE1 TYR 32 HE1 TYR 32 -5.742 1.638 -6.565
230 HE2 TYR 32 HE2 TYR 32 -1.936 0.238 -7.855
231 HH TYR 32 HH TYR 32 -4.060 -0.056 -8.989
232 H CYS 33 H CYS 33 -1.047 2.268 -0.816
233 HA CYS 33 HA CYS 33 -3.179 2.833 1.093
234 HB2 CYS 33 HB2 CYS 33 -1.425 0.387 1.194
235 HB3 CYS 33 HB1 CYS 33 -2.694 0.828 2.336
236 HA PRO 34 HA PRO 34 0.846 4.910 2.033
237 HB2 PRO 34 HB2 PRO 34 -0.232 7.267 2.857
238 HB3 PRO 34 HB1 PRO 34 0.109 6.895 1.162
239 HG2 PRO 34 HG2 PRO 34 -2.469 6.639 2.665
240 HG3 PRO 34 HG1 PRO 34 -2.190 7.379 1.085
241 HD2 PRO 34 HD2 PRO 34 -3.159 4.931 1.280
242 HD3 PRO 34 HD1 PRO 34 -1.965 5.321 0.025
243 H VAL 35 H VAL 35 -2.072 4.458 3.825
244 HA VAL 35 HA VAL 35 -0.836 5.298 6.293
245 HB VAL 35 HB VAL 35 -3.614 4.203 5.828
246 HG11 VAL 35 HG11 VAL 35 -2.419 5.630 8.196
247 HG12 VAL 35 HG12 VAL 35 -2.839 3.919 8.139
248 HG13 VAL 35 3HG1 VAL 35 -4.109 5.148 8.034
249 HG21 VAL 35 HG21 VAL 35 -3.150 6.264 4.638
250 HG22 VAL 35 HG22 VAL 35 -2.610 7.018 6.131
251 HG23 VAL 35 HG23 VAL 35 -4.310 6.549 5.945
252 H THR 36 H THR 36 -2.095 2.384 4.835
253 HA THR 36 HA THR 36 -1.521 0.604 6.928
254 HB THR 36 HB THR 36 -1.552 0.019 3.957
255 HG1 THR 36 HG1 THR 36 -3.448 1.059 4.573
256 HG21 THR 36 HG21 THR 36 -2.287 -2.228 4.662
257 HG22 THR 36 HG22 THR 36 -2.133 -1.747 6.351
258 HG23 THR 36 HG23 THR 36 -0.701 -1.838 5.324
259 H CYS 37 H CYS 37 0.461 1.698 4.209
260 HA CYS 37 HA CYS 37 2.642 0.008 4.995
261 HB2 CYS 37 HB2 CYS 37 2.373 2.038 2.803
262 HB3 CYS 37 HB1 CYS 37 3.790 1.004 3.026
263 H GLY 38 H GLY 38 1.625 2.728 6.373
264 HA2 GLY 38 HA2 GLY 38 2.628 3.978 8.000
265 HA3 GLY 38 HA1 GLY 38 4.087 3.050 7.739
266 H PHE 39 H PHE 39 2.409 5.153 5.438
267 HA PHE 39 HA PHE 39 4.793 6.894 5.398
268 HB2 PHE 39 HB2 PHE 39 2.442 6.785 3.483
269 HB3 PHE 39 HB1 PHE 39 3.841 7.830 3.321
270 HD1 PHE 39 HD1 PHE 39 6.024 6.863 2.730
271 HD2 PHE 39 HD2 PHE 39 2.478 4.556 2.818
272 HE1 PHE 39 HE1 PHE 39 7.123 5.160 1.339
273 HE2 PHE 39 HE2 PHE 39 3.578 2.825 1.401
274 HZ PHE 39 HZ PHE 39 5.896 3.139 0.676
275 HA CYS 40 HA CYS 40 1.323 9.513 6.754
276 HB2 CYS 40 HB2 CYS 40 -0.933 8.033 5.386
277 HB3 CYS 40 HB1 CYS 40 -1.006 9.683 6.004
278 HN1 NH2 41 H1 CYS 40 1.417 9.225 8.860
279 HN2 NH2 41 H2 CYS 40 0.487 8.118 9.797
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 -1.640 10.044 -2.460
2 H2 GLU 1 HT2 GLU 1 -1.350 11.000 -3.818
3 H3 GLU 1 HT3 GLU 1 -2.751 11.195 -2.910
4 HA GLU 1 HA GLU 1 -0.016 11.646 -1.875
5 HB2 GLU 1 HB2 GLU 1 -0.718 13.406 -3.482
6 HB3 GLU 1 HB1 GLU 1 -2.152 13.623 -2.455
7 HG2 GLU 1 HG2 GLU 1 -0.873 14.336 -0.627
8 HG3 GLU 1 HG1 GLU 1 0.638 13.981 -1.444
9 H HIS 2 H HIS 2 -3.430 12.554 -1.377
10 HA HIS 2 HA HIS 2 -3.141 13.055 1.355
11 HB2 HIS 2 HB2 HIS 2 -5.613 12.270 -0.212
12 HB3 HIS 2 HB1 HIS 2 -5.613 12.941 1.412
13 HD1 HIS 2 HD1 HIS 2 -5.869 13.946 -2.075
14 HD2 HIS 2 HD2 HIS 2 -4.484 15.654 1.450
15 HE1 HIS 2 HE1 HIS 2 -5.790 16.418 -2.484
16 H CYS 3 H CYS 3 -2.492 11.653 2.594
17 HA CYS 3 HA CYS 3 -2.610 8.909 2.229
18 HB2 CYS 3 HB2 CYS 3 -1.803 8.537 4.495
19 HB3 CYS 3 HB1 CYS 3 -0.927 9.835 3.710
20 H ALA 4 H ALA 4 -4.528 8.257 1.670
21 HA ALA 4 HA ALA 4 -6.196 7.332 3.851
22 HB1 ALA 4 HB1 ALA 4 -8.216 7.825 2.487
23 HB2 ALA 4 HB2 ALA 4 -7.200 8.673 1.322
24 HB3 ALA 4 HB3 ALA 4 -7.372 9.301 2.961
25 H ASP 5 H ASP 5 -6.250 5.193 3.599
26 HA ASP 5 HA ASP 5 -5.092 3.872 1.391
27 HB2 ASP 5 HB2 ASP 5 -7.049 2.666 3.361
28 HB3 ASP 5 HB1 ASP 5 -5.897 1.796 2.359
29 H GLU 6 H GLU 6 -5.883 2.936 -0.393
30 HA GLU 6 HA GLU 6 -8.153 4.121 -1.585
31 HB2 GLU 6 HB2 GLU 6 -5.895 3.031 -2.524
32 HB3 GLU 6 HB1 GLU 6 -6.934 1.630 -2.686
33 HG2 GLU 6 HG2 GLU 6 -7.333 4.322 -3.986
34 HG3 GLU 6 HG1 GLU 6 -6.793 2.852 -4.777
35 H LYS 7 H LYS 7 -10.147 3.314 -1.941
36 HA LYS 7 HA LYS 7 -11.078 1.423 -0.029
37 HB2 LYS 7 HB2 LYS 7 -13.318 1.951 -0.918
38 HB3 LYS 7 HB1 LYS 7 -12.402 3.313 -0.290
39 HG2 LYS 7 HG2 LYS 7 -11.810 3.940 -2.591
40 HG3 LYS 7 HG1 LYS 7 -12.778 2.591 -3.186
41 HD2 LYS 7 HD2 LYS 7 -14.093 4.595 -3.320
42 HD3 LYS 7 HD1 LYS 7 -14.701 3.521 -2.046
43 HE2 LYS 7 HE2 LYS 7 -14.702 5.886 -1.360
44 HE3 LYS 7 HE1 LYS 7 -13.687 4.895 -0.325
45 HZ1 LYS 7 HZ1 LYS 7 -11.740 5.767 -1.461
46 HZ2 LYS 7 HZ2 LYS 7 -12.675 7.054 -0.948
47 HZ3 LYS 7 HZ3 LYS 7 -12.690 6.596 -2.554
48 H ASN 8 H ASN 8 -10.416 1.161 -3.348
49 HA ASN 8 HA ASN 8 -11.883 -1.376 -3.378
50 HB2 ASN 8 HB2 ASN 8 -10.784 0.278 -5.650
51 HB3 ASN 8 HB1 ASN 8 -11.366 -1.366 -5.882
52 HD21 ASN 8 HD21 ASN 8 -13.552 -1.770 -5.745
53 HD22 ASN 8 HD22 ASN 8 -14.744 -0.523 -5.758
54 H PHE 9 H PHE 9 -8.958 -0.336 -2.611
55 HA PHE 9 HA PHE 9 -7.495 -2.634 -3.725
56 HB2 PHE 9 HB2 PHE 9 -6.681 -0.166 -3.799
57 HB3 PHE 9 HB1 PHE 9 -6.343 -0.403 -2.084
58 HD1 PHE 9 HD1 PHE 9 -4.334 -1.380 -1.435
59 HD2 PHE 9 HD2 PHE 9 -5.735 -1.833 -5.407
60 HE1 PHE 9 HE1 PHE 9 -2.220 -2.457 -2.054
61 HE2 PHE 9 HE2 PHE 9 -3.672 -2.902 -6.047
62 HZ PHE 9 HZ PHE 9 -1.861 -3.220 -4.366
63 H ASP 10 H ASP 10 -6.628 -4.162 -2.272
64 HA ASP 10 HA ASP 10 -7.754 -3.878 0.414
65 HB2 ASP 10 HB2 ASP 10 -8.431 -5.919 -0.843
66 HB3 ASP 10 HB1 ASP 10 -6.741 -6.431 -0.831
67 H CYS 11 H CYS 11 -6.411 -2.907 1.631
68 HA CYS 11 HA CYS 11 -3.619 -2.956 1.307
69 HB2 CYS 11 HB2 CYS 11 -5.260 -1.949 3.634
70 HB3 CYS 11 HB1 CYS 11 -3.584 -1.553 3.276
71 H ARG 12 H ARG 12 -5.813 -4.850 3.193
72 HA ARG 12 HA ARG 12 -4.020 -5.848 5.151
73 HB2 ARG 12 HB2 ARG 12 -6.393 -7.263 3.910
74 HB3 ARG 12 HB1 ARG 12 -5.600 -7.730 5.402
75 HG2 ARG 12 HG2 ARG 12 -7.130 -5.176 4.925
76 HG3 ARG 12 HG1 ARG 12 -7.711 -6.584 5.806
77 HD2 ARG 12 HD2 ARG 12 -5.954 -6.277 7.473
78 HD3 ARG 12 HD1 ARG 12 -5.336 -4.891 6.575
79 HE ARG 12 HE ARG 12 -8.052 -4.510 7.139
80 HH11 ARG 12 HH11 ARG 12 -4.968 -4.594 8.873
81 HH12 ARG 12 HH12 ARG 12 -5.442 -3.455 10.034
82 HH21 ARG 12 HH21 ARG 12 -8.688 -2.930 8.743
83 HH22 ARG 12 HH22 ARG 12 -7.586 -2.489 9.963
84 H ARG 13 H ARG 13 -5.028 -7.118 2.011
85 HA ARG 13 HA ARG 13 -3.430 -9.402 1.930
86 HB2 ARG 13 HB2 ARG 13 -5.268 -9.018 0.353
87 HB3 ARG 13 HB1 ARG 13 -4.402 -7.666 -0.356
88 HG2 ARG 13 HG2 ARG 13 -2.646 -9.191 -1.123
89 HG3 ARG 13 HG1 ARG 13 -3.519 -10.546 -0.420
90 HD2 ARG 13 HD2 ARG 13 -3.914 -10.436 -2.816
91 HD3 ARG 13 HD1 ARG 13 -5.397 -10.110 -1.931
92 HE ARG 13 HE ARG 13 -5.067 -7.741 -2.439
93 HH11 ARG 13 HH11 ARG 13 -3.090 -9.966 -4.410
94 HH12 ARG 13 HH12 ARG 13 -3.130 -8.944 -5.770
95 HH21 ARG 13 HH21 ARG 13 -5.074 -6.401 -4.315
96 HH22 ARG 13 HH22 ARG 13 -4.283 -6.886 -5.737
97 H SER 14 H SER 14 -2.760 -6.173 0.576
98 HA SER 14 HA SER 14 -0.242 -6.833 -0.428
99 HB2 SER 14 HB2 SER 14 -1.316 -4.149 0.415
100 HB3 SER 14 HB1 SER 14 0.048 -4.421 -0.672
101 HG SER 14 HG SER 14 -1.264 -5.033 -2.217
102 H LEU 15 H LEU 15 -1.226 -5.684 2.765
103 HA LEU 15 HA LEU 15 1.375 -5.105 3.705
104 HB2 LEU 15 HB2 LEU 15 -0.883 -4.343 4.657
105 HB3 LEU 15 HB1 LEU 15 -1.031 -5.933 5.351
106 HG LEU 15 HG LEU 15 -0.360 -4.197 6.983
107 HD11 LEU 15 HD11 LEU 15 0.250 -6.471 7.475
108 HD12 LEU 15 HD12 LEU 15 1.503 -5.358 8.034
109 HD13 LEU 15 HD13 LEU 15 1.742 -6.289 6.554
110 HD21 LEU 15 HD21 LEU 15 0.954 -2.765 5.508
111 HD22 LEU 15 HD22 LEU 15 2.177 -4.022 5.374
112 HD23 LEU 15 HD23 LEU 15 1.880 -3.245 6.926
113 H ARG 16 H ARG 16 -0.709 -7.954 3.846
114 HA ARG 16 HA ARG 16 1.091 -9.525 5.367
115 HB2 ARG 16 HB2 ARG 16 -1.290 -10.251 3.698
116 HB3 ARG 16 HB1 ARG 16 -0.349 -11.446 4.574
117 HG2 ARG 16 HG2 ARG 16 -0.866 -10.323 6.677
118 HG3 ARG 16 HG1 ARG 16 -1.793 -9.104 5.799
119 HD2 ARG 16 HD2 ARG 16 -3.228 -10.850 6.791
120 HD3 ARG 16 HD1 ARG 16 -3.344 -10.783 5.033
121 HE ARG 16 HE ARG 16 -1.392 -12.624 5.630
122 HH11 ARG 16 HH11 ARG 16 -4.882 -12.337 6.250
123 HH12 ARG 16 HH12 ARG 16 -5.160 -14.012 6.202
124 HH21 ARG 16 HH21 ARG 16 -1.788 -14.941 5.588
125 HH22 ARG 16 HH22 ARG 16 -3.377 -15.520 5.811
126 H ASN 17 H ASN 17 0.596 -9.204 1.900
127 HA ASN 17 HA ASN 17 2.351 -11.341 1.213
128 HB2 ASN 17 HB2 ASN 17 1.192 -9.083 -0.374
129 HB3 ASN 17 HB1 ASN 17 2.464 -10.080 -1.066
130 HD21 ASN 17 HD21 ASN 17 -0.785 -10.044 0.132
131 HD22 ASN 17 HD22 ASN 17 -1.272 -11.531 -0.613
132 H GLY 18 H GLY 18 2.847 -7.947 1.746
133 HA2 GLY 18 HA2 GLY 18 5.085 -7.445 2.678
134 HA3 GLY 18 HA1 GLY 18 5.724 -8.496 1.431
135 H ASP 19 H ASP 19 3.260 -6.941 0.013
136 HA ASP 19 HA ASP 19 4.878 -5.437 -1.749
137 HB2 ASP 19 HB2 ASP 19 1.912 -5.255 -1.205
138 HB3 ASP 19 HB1 ASP 19 2.713 -4.325 -2.459
139 H CYS 20 H CYS 20 3.356 -4.656 1.216
140 HA CYS 20 HA CYS 20 3.520 -1.800 0.865
141 HB2 CYS 20 HB2 CYS 20 1.615 -2.830 2.013
142 HB3 CYS 20 HB1 CYS 20 2.682 -3.522 3.209
143 H ASP 21 H ASP 21 5.749 -4.140 1.619
144 HA ASP 21 HA ASP 21 7.440 -2.173 3.039
145 HB2 ASP 21 HB2 ASP 21 6.885 -4.019 4.532
146 HB3 ASP 21 HB1 ASP 21 7.382 -5.189 3.321
147 H ASN 22 H ASN 22 6.926 -3.889 0.276
148 HA ASN 22 HA ASN 22 9.645 -4.469 -0.469
149 HB2 ASN 22 HB2 ASN 22 7.864 -5.975 -1.172
150 HB3 ASN 22 HB1 ASN 22 7.038 -4.658 -1.987
151 HD21 ASN 22 HD21 ASN 22 9.719 -6.844 -2.094
152 HD22 ASN 22 HD22 ASN 22 10.133 -6.561 -3.743
153 H ASP 23 H ASP 23 10.960 -3.105 -1.375
154 HA ASP 23 HA ASP 23 10.564 -0.384 -1.730
155 HB2 ASP 23 HB2 ASP 23 12.795 -1.356 -1.535
156 HB3 ASP 23 HB1 ASP 23 12.606 -2.167 -3.076
157 H ASP 24 H ASP 24 10.386 -2.948 -4.069
158 HA ASP 24 HA ASP 24 10.134 -1.252 -6.336
159 HB2 ASP 24 HB2 ASP 24 9.645 -4.201 -6.000
160 HB3 ASP 24 HB1 ASP 24 9.488 -3.374 -7.542
161 H LYS 25 H LYS 25 7.891 -2.219 -4.005
162 HA LYS 25 HA LYS 25 5.696 -1.445 -5.810
163 HB2 LYS 25 HB2 LYS 25 5.554 -3.106 -3.292
164 HB3 LYS 25 HB1 LYS 25 4.192 -2.707 -4.334
165 HG2 LYS 25 HG2 LYS 25 6.588 -4.385 -5.016
166 HG3 LYS 25 HG1 LYS 25 4.963 -4.971 -4.668
167 HD2 LYS 25 HD2 LYS 25 5.604 -3.093 -6.930
168 HD3 LYS 25 HD1 LYS 25 5.627 -4.842 -7.052
169 HE2 LYS 25 HE2 LYS 25 3.218 -3.238 -6.169
170 HE3 LYS 25 HE1 LYS 25 3.487 -3.772 -7.824
171 HZ1 LYS 25 HZ1 LYS 25 3.172 -5.577 -5.460
172 HZ2 LYS 25 HZ2 LYS 25 3.448 -6.066 -7.050
173 HZ3 LYS 25 HZ3 LYS 25 2.028 -5.279 -6.655
174 H LEU 26 H LEU 26 7.578 -0.298 -3.307
175 HA LEU 26 HA LEU 26 5.765 0.723 -1.503
176 HB2 LEU 26 HB2 LEU 26 8.499 1.712 -2.190
177 HB3 LEU 26 HB1 LEU 26 7.518 2.479 -0.961
178 HG LEU 26 HG LEU 26 8.507 -0.371 -0.936
179 HD11 LEU 26 HD11 LEU 26 9.209 1.996 0.775
180 HD12 LEU 26 HD12 LEU 26 10.217 1.333 -0.506
181 HD13 LEU 26 HD13 LEU 26 9.862 0.365 0.931
182 HD21 LEU 26 HD21 LEU 26 6.841 1.151 1.066
183 HD22 LEU 26 HD22 LEU 26 7.589 -0.417 1.350
184 HD23 LEU 26 HD23 LEU 26 6.333 -0.258 0.129
185 H LEU 27 H LEU 27 6.856 2.408 -4.465
186 HA LEU 27 HA LEU 27 5.693 4.843 -3.871
187 HB2 LEU 27 HB2 LEU 27 7.226 4.544 -5.692
188 HB3 LEU 27 HB1 LEU 27 6.135 3.403 -6.461
189 HG LEU 27 HG LEU 27 4.495 5.192 -6.496
190 HD11 LEU 27 HD11 LEU 27 6.914 6.940 -6.014
191 HD12 LEU 27 HD12 LEU 27 5.475 6.815 -5.003
192 HD13 LEU 27 HD13 LEU 27 5.366 7.540 -6.606
193 HD21 LEU 27 HD21 LEU 27 6.939 5.387 -8.202
194 HD22 LEU 27 HD22 LEU 27 5.364 6.109 -8.608
195 HD23 LEU 27 HD23 LEU 27 5.527 4.355 -8.412
196 H GLU 28 H GLU 28 4.473 1.993 -5.479
197 HA GLU 28 HA GLU 28 1.923 3.021 -6.138
198 HB2 GLU 28 HB2 GLU 28 2.889 0.182 -5.833
199 HB3 GLU 28 HB1 GLU 28 1.351 0.653 -6.556
200 HG2 GLU 28 HG2 GLU 28 2.481 1.869 -8.273
201 HG3 GLU 28 HG1 GLU 28 4.036 1.534 -7.516
202 H MET 29 H MET 29 3.297 1.517 -3.397
203 HA MET 29 HA MET 29 0.727 0.980 -2.197
204 HB2 MET 29 HB2 MET 29 3.525 0.638 -1.162
205 HB3 MET 29 HB1 MET 29 2.102 0.288 -0.196
206 HG2 MET 29 HG2 MET 29 2.943 -1.046 -2.755
207 HG3 MET 29 HG1 MET 29 2.928 -1.757 -1.145
208 HE1 MET 29 HE1 MET 29 -1.002 -1.657 -0.445
209 HE2 MET 29 HE2 MET 29 0.098 -0.293 -0.243
210 HE3 MET 29 3HE MET 29 0.594 -1.902 0.281
211 H GLY 30 H GLY 30 2.952 3.443 -2.324
212 HA2 GLY 30 HA2 GLY 30 2.208 4.776 0.081
213 HA3 GLY 30 HA1 GLY 30 3.118 5.504 -1.227
214 H TYR 31 H TYR 31 0.995 4.731 -3.175
215 HA TYR 31 HA TYR 31 -0.879 6.711 -2.264
216 HB2 TYR 31 HB2 TYR 31 -1.755 6.853 -4.615
217 HB3 TYR 31 HB1 TYR 31 -0.125 7.427 -4.285
218 HD1 TYR 31 HD1 TYR 31 -1.999 4.555 -5.713
219 HD2 TYR 31 HD2 TYR 31 1.621 6.747 -5.589
220 HE1 TYR 31 HE1 TYR 31 -1.203 3.329 -7.654
221 HE2 TYR 31 HE2 TYR 31 2.454 5.545 -7.505
222 HH TYR 31 HH TYR 31 2.098 3.537 -8.777
223 H TYR 32 H TYR 32 -0.811 3.483 -3.304
224 HA TYR 32 HA TYR 32 -3.609 3.174 -3.119
225 HB2 TYR 32 HB2 TYR 32 -1.423 1.160 -3.326
226 HB3 TYR 32 HB1 TYR 32 -3.031 0.620 -2.848
227 HD1 TYR 32 HD1 TYR 32 -1.023 0.832 -5.614
228 HD2 TYR 32 HD2 TYR 32 -4.892 1.975 -4.303
229 HE1 TYR 32 HE1 TYR 32 -1.808 0.899 -7.955
230 HE2 TYR 32 HE2 TYR 32 -5.676 2.050 -6.590
231 HH TYR 32 HH TYR 32 -3.879 0.770 -9.186
232 H CYS 33 H CYS 33 -1.141 2.350 -0.674
233 HA CYS 33 HA CYS 33 -3.342 2.626 1.207
234 HB2 CYS 33 HB2 CYS 33 -1.348 0.358 1.293
235 HB3 CYS 33 HB1 CYS 33 -2.598 0.706 2.487
236 HA PRO 34 HA PRO 34 0.497 5.082 2.148
237 HB2 PRO 34 HB2 PRO 34 -0.827 7.376 2.808
238 HB3 PRO 34 HB1 PRO 34 -0.291 6.981 1.170
239 HG2 PRO 34 HG2 PRO 34 -2.979 6.584 2.421
240 HG3 PRO 34 HG1 PRO 34 -2.592 7.257 0.833
241 HD2 PRO 34 HD2 PRO 34 -3.406 4.765 1.085
242 HD3 PRO 34 HD1 PRO 34 -2.118 5.175 -0.065
243 H VAL 35 H VAL 35 -2.513 4.594 3.832
244 HA VAL 35 HA VAL 35 -1.387 5.569 6.296
245 HB VAL 35 HB VAL 35 -4.052 4.186 5.914
246 HG11 VAL 35 HG11 VAL 35 -3.236 4.126 8.228
247 HG12 VAL 35 HG12 VAL 35 -4.635 5.191 8.072
248 HG13 VAL 35 3HG1 VAL 35 -3.010 5.875 8.192
249 HG21 VAL 35 HG21 VAL 35 -3.893 6.207 4.600
250 HG22 VAL 35 HG22 VAL 35 -3.345 7.103 6.010
251 HG23 VAL 35 HG23 VAL 35 -4.990 6.453 5.964
252 H THR 36 H THR 36 -2.392 2.522 4.897
253 HA THR 36 HA THR 36 -1.724 0.830 7.027
254 HB THR 36 HB THR 36 -1.558 0.182 4.080
255 HG1 THR 36 HG1 THR 36 -3.576 1.121 4.586
256 HG21 THR 36 HG21 THR 36 -2.182 -2.100 4.816
257 HG22 THR 36 HG22 THR 36 -2.155 -1.550 6.492
258 HG23 THR 36 HG23 THR 36 -0.672 -1.561 5.547
259 H CYS 37 H CYS 37 0.208 2.010 4.300
260 HA CYS 37 HA CYS 37 2.537 0.616 5.179
261 HB2 CYS 37 HB2 CYS 37 2.122 2.638 2.989
262 HB3 CYS 37 HB1 CYS 37 3.665 1.830 3.290
263 H GLY 38 H GLY 38 1.121 3.255 6.429
264 HA2 GLY 38 HA2 GLY 38 1.816 4.529 8.198
265 HA3 GLY 38 HA1 GLY 38 3.370 3.732 8.095
266 H PHE 39 H PHE 39 1.675 5.860 5.771
267 HA PHE 39 HA PHE 39 4.075 7.488 5.803
268 HB2 PHE 39 HB2 PHE 39 1.695 7.526 3.948
269 HB3 PHE 39 HB1 PHE 39 2.988 8.724 3.875
270 HD1 PHE 39 HD1 PHE 39 2.046 5.297 3.183
271 HD2 PHE 39 HD2 PHE 39 5.246 8.071 3.224
272 HE1 PHE 39 HE1 PHE 39 3.399 3.758 1.796
273 HE2 PHE 39 HE2 PHE 39 6.601 6.549 1.849
274 HZ PHE 39 HZ PHE 39 5.673 4.388 1.136
275 HA CYS 40 HA CYS 40 1.863 9.888 8.651
276 HB2 CYS 40 HB2 CYS 40 -0.387 10.932 8.493
277 HB3 CYS 40 HB1 CYS 40 0.359 10.796 6.911
278 HN1 NH2 41 H1 CYS 40 2.041 9.140 10.605
279 HN2 NH2 41 H2 CYS 40 1.014 7.962 11.337
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 -1.424 16.649 -2.962
2 H2 GLU 1 HT2 GLU 1 -0.893 16.371 -1.382
3 H3 GLU 1 HT3 GLU 1 -2.383 17.097 -1.647
4 HA GLU 1 HA GLU 1 -3.228 15.110 -2.645
5 HB2 GLU 1 HB2 GLU 1 -1.074 14.319 -3.562
6 HB3 GLU 1 HB1 GLU 1 -0.495 14.007 -1.934
7 HG2 GLU 1 HG2 GLU 1 -1.159 11.958 -3.080
8 HG3 GLU 1 HG1 GLU 1 -2.158 12.262 -1.659
9 H HIS 2 H HIS 2 -4.446 13.870 -1.291
10 HA HIS 2 HA HIS 2 -3.812 14.074 1.567
11 HB2 HIS 2 HB2 HIS 2 -6.493 13.719 0.188
12 HB3 HIS 2 HB1 HIS 2 -6.268 13.619 1.929
13 HD1 HIS 2 HD1 HIS 2 -6.042 15.891 3.220
14 HD2 HIS 2 HD2 HIS 2 -6.318 16.278 -0.917
15 HE1 HIS 2 HE1 HIS 2 -6.401 18.316 2.779
16 H CYS 3 H CYS 3 -3.016 12.230 2.350
17 HA CYS 3 HA CYS 3 -3.249 9.933 0.665
18 HB2 CYS 3 HB2 CYS 3 -1.497 8.945 2.079
19 HB3 CYS 3 HB1 CYS 3 -1.062 10.529 1.465
20 H ALA 4 H ALA 4 -4.727 8.462 0.845
21 HA ALA 4 HA ALA 4 -5.585 7.498 3.440
22 HB1 ALA 4 HB1 ALA 4 -7.242 9.230 2.875
23 HB2 ALA 4 HB2 ALA 4 -7.956 7.617 2.816
24 HB3 ALA 4 HB3 ALA 4 -7.526 8.445 1.320
25 H ASP 5 H ASP 5 -5.944 5.358 3.362
26 HA ASP 5 HA ASP 5 -4.956 3.789 1.255
27 HB2 ASP 5 HB2 ASP 5 -6.946 2.861 3.312
28 HB3 ASP 5 HB1 ASP 5 -5.782 1.873 2.436
29 H GLU 6 H GLU 6 -5.770 3.019 -0.535
30 HA GLU 6 HA GLU 6 -8.294 3.752 -1.527
31 HB2 GLU 6 HB2 GLU 6 -6.428 3.457 -3.049
32 HB3 GLU 6 HB1 GLU 6 -6.178 1.817 -2.506
33 HG2 GLU 6 HG2 GLU 6 -7.169 1.923 -4.690
34 HG3 GLU 6 HG1 GLU 6 -8.232 1.125 -3.537
35 H LYS 7 H LYS 7 -10.142 2.807 -1.415
36 HA LYS 7 HA LYS 7 -10.578 0.545 0.323
37 HB2 LYS 7 HB2 LYS 7 -12.932 0.982 -0.021
38 HB3 LYS 7 HB1 LYS 7 -12.070 2.472 0.340
39 HG2 LYS 7 HG2 LYS 7 -12.068 3.057 -2.016
40 HG3 LYS 7 HG1 LYS 7 -12.921 1.562 -2.396
41 HD2 LYS 7 HD2 LYS 7 -14.554 3.271 -2.325
42 HD3 LYS 7 HD1 LYS 7 -14.691 2.295 -0.853
43 HE2 LYS 7 HE2 LYS 7 -14.897 4.675 -0.302
44 HE3 LYS 7 HE1 LYS 7 -13.446 3.991 0.412
45 HZ1 LYS 7 HZ1 LYS 7 -12.980 6.141 -0.591
46 HZ2 LYS 7 HZ2 LYS 7 -13.544 5.625 -2.073
47 HZ3 LYS 7 HZ3 LYS 7 -12.156 4.959 -1.438
48 H ASN 8 H ASN 8 -10.242 1.093 -2.966
49 HA ASN 8 HA ASN 8 -11.606 -1.347 -3.812
50 HB2 ASN 8 HB2 ASN 8 -11.606 0.829 -5.130
51 HB3 ASN 8 HB1 ASN 8 -9.918 0.513 -5.493
52 HD21 ASN 8 HD21 ASN 8 -13.179 -0.405 -6.064
53 HD22 ASN 8 HD22 ASN 8 -12.882 -1.421 -7.424
54 H PHE 9 H PHE 9 -8.691 -0.566 -2.553
55 HA PHE 9 HA PHE 9 -7.144 -2.692 -3.911
56 HB2 PHE 9 HB2 PHE 9 -6.409 -0.212 -3.750
57 HB3 PHE 9 HB1 PHE 9 -6.135 -0.568 -2.049
58 HD1 PHE 9 HD1 PHE 9 -4.155 -1.574 -1.376
59 HD2 PHE 9 HD2 PHE 9 -5.310 -1.632 -5.447
60 HE1 PHE 9 HE1 PHE 9 -1.963 -2.480 -1.978
61 HE2 PHE 9 HE2 PHE 9 -3.175 -2.527 -6.074
62 HZ PHE 9 HZ PHE 9 -1.435 -2.944 -4.319
63 H ASP 10 H ASP 10 -6.167 -4.252 -2.455
64 HA ASP 10 HA ASP 10 -7.398 -4.166 0.196
65 HB2 ASP 10 HB2 ASP 10 -7.695 -6.276 -1.238
66 HB3 ASP 10 HB1 ASP 10 -5.989 -6.590 -0.916
67 H CYS 11 H CYS 11 -6.209 -3.043 1.428
68 HA CYS 11 HA CYS 11 -3.413 -2.765 1.212
69 HB2 CYS 11 HB2 CYS 11 -5.267 -1.991 3.468
70 HB3 CYS 11 HB1 CYS 11 -3.634 -1.396 3.192
71 H ARG 12 H ARG 12 -5.496 -4.879 2.982
72 HA ARG 12 HA ARG 12 -3.642 -5.497 5.070
73 HB2 ARG 12 HB2 ARG 12 -6.068 -7.060 4.168
74 HB3 ARG 12 HB1 ARG 12 -5.228 -7.244 5.700
75 HG2 ARG 12 HG2 ARG 12 -6.767 -4.824 4.777
76 HG3 ARG 12 HG1 ARG 12 -7.270 -5.990 6.001
77 HD2 ARG 12 HD2 ARG 12 -5.467 -5.314 7.452
78 HD3 ARG 12 HD1 ARG 12 -4.801 -4.257 6.207
79 HE ARG 12 HE ARG 12 -7.462 -3.585 6.745
80 HH11 ARG 12 HH11 ARG 12 -4.308 -3.375 8.315
81 HH12 ARG 12 HH12 ARG 12 -4.600 -1.895 9.089
82 HH21 ARG 12 HH21 ARG 12 -7.924 -1.562 7.840
83 HH22 ARG 12 HH22 ARG 12 -6.731 -0.842 8.813
84 H ARG 13 H ARG 13 -4.808 -7.225 2.220
85 HA ARG 13 HA ARG 13 -3.184 -9.483 2.408
86 HB2 ARG 13 HB2 ARG 13 -5.122 -9.201 0.882
87 HB3 ARG 13 HB1 ARG 13 -4.151 -8.112 -0.095
88 HG2 ARG 13 HG2 ARG 13 -2.558 -9.958 -0.495
89 HG3 ARG 13 HG1 ARG 13 -3.634 -11.025 0.403
90 HD2 ARG 13 HD2 ARG 13 -4.333 -9.507 -2.093
91 HD3 ARG 13 HD1 ARG 13 -3.981 -11.231 -1.992
92 HE ARG 13 HE ARG 13 -6.034 -10.674 -0.220
93 HH11 ARG 13 HH11 ARG 13 -5.498 -10.739 -3.709
94 HH12 ARG 13 HH12 ARG 13 -7.139 -10.989 -4.109
95 HH21 ARG 13 HH21 ARG 13 -8.297 -11.047 -0.787
96 HH22 ARG 13 HH22 ARG 13 -8.734 -11.160 -2.444
97 H SER 14 H SER 14 -2.650 -6.419 0.740
98 HA SER 14 HA SER 14 -0.209 -7.071 -0.457
99 HB2 SER 14 HB2 SER 14 -1.179 -4.349 0.444
100 HB3 SER 14 HB1 SER 14 0.071 -4.658 -0.764
101 HG SER 14 HG SER 14 -2.692 -4.920 -0.928
102 H LEU 15 H LEU 15 -0.919 -5.751 2.744
103 HA LEU 15 HA LEU 15 1.811 -5.402 3.430
104 HB2 LEU 15 HB2 LEU 15 0.070 -4.098 4.507
105 HB3 LEU 15 HB1 LEU 15 -0.664 -5.553 5.135
106 HG LEU 15 HG LEU 15 1.222 -5.937 6.614
107 HD11 LEU 15 HD11 LEU 15 3.036 -4.318 6.799
108 HD12 LEU 15 HD12 LEU 15 2.393 -3.435 5.408
109 HD13 LEU 15 HD13 LEU 15 3.001 -5.081 5.210
110 HD21 LEU 15 HD21 LEU 15 0.268 -3.087 6.737
111 HD22 LEU 15 HD22 LEU 15 0.963 -4.012 8.069
112 HD23 LEU 15 HD23 LEU 15 -0.588 -4.490 7.374
113 H ARG 16 H ARG 16 -0.628 -7.830 4.166
114 HA ARG 16 HA ARG 16 0.836 -9.547 5.781
115 HB2 ARG 16 HB2 ARG 16 -1.286 -10.197 3.742
116 HB3 ARG 16 HB1 ARG 16 -0.649 -11.365 4.886
117 HG2 ARG 16 HG2 ARG 16 -1.499 -10.097 6.734
118 HG3 ARG 16 HG1 ARG 16 -2.007 -8.798 5.652
119 HD2 ARG 16 HD2 ARG 16 -3.579 -10.281 4.560
120 HD3 ARG 16 HD1 ARG 16 -3.043 -11.626 5.569
121 HE ARG 16 HE ARG 16 -3.784 -9.849 7.383
122 HH11 ARG 16 HH11 ARG 16 -5.510 -10.838 4.428
123 HH12 ARG 16 HH12 ARG 16 -7.038 -10.783 5.133
124 HH21 ARG 16 HH21 ARG 16 -5.931 -9.778 8.353
125 HH22 ARG 16 HH22 ARG 16 -7.297 -10.173 7.416
126 H ASN 17 H ASN 17 0.604 -9.566 2.238
127 HA ASN 17 HA ASN 17 2.321 -11.793 1.809
128 HB2 ASN 17 HB2 ASN 17 1.802 -9.465 -0.068
129 HB3 ASN 17 HB1 ASN 17 2.513 -11.006 -0.509
130 HD21 ASN 17 HD21 ASN 17 0.545 -12.373 1.306
131 HD22 ASN 17 HD22 ASN 17 -0.919 -12.379 0.397
132 H GLY 18 H GLY 18 2.789 -8.422 2.127
133 HA2 GLY 18 HA2 GLY 18 4.824 -7.592 3.136
134 HA3 GLY 18 HA1 GLY 18 5.692 -8.868 2.291
135 H ASP 19 H ASP 19 3.469 -7.743 0.175
136 HA ASP 19 HA ASP 19 5.528 -6.553 -1.377
137 HB2 ASP 19 HB2 ASP 19 2.632 -7.017 -1.914
138 HB3 ASP 19 HB1 ASP 19 3.552 -5.943 -2.962
139 H CYS 20 H CYS 20 3.275 -5.322 0.782
140 HA CYS 20 HA CYS 20 3.242 -2.748 -0.338
141 HB2 CYS 20 HB2 CYS 20 1.424 -3.485 1.116
142 HB3 CYS 20 HB1 CYS 20 2.538 -3.584 2.473
143 H ASP 21 H ASP 21 5.410 -4.427 1.765
144 HA ASP 21 HA ASP 21 6.816 -1.948 2.476
145 HB2 ASP 21 HB2 ASP 21 6.265 -3.505 4.331
146 HB3 ASP 21 HB1 ASP 21 7.171 -4.776 3.525
147 H ASN 22 H ASN 22 6.698 -4.161 0.180
148 HA ASN 22 HA ASN 22 9.470 -4.629 -0.373
149 HB2 ASN 22 HB2 ASN 22 7.891 -6.343 -1.015
150 HB3 ASN 22 HB1 ASN 22 6.901 -5.167 -1.858
151 HD21 ASN 22 HD21 ASN 22 6.987 -6.745 -3.581
152 HD22 ASN 22 HD22 ASN 22 8.347 -6.777 -4.642
153 H ASP 23 H ASP 23 10.752 -3.473 -1.590
154 HA ASP 23 HA ASP 23 10.362 -0.770 -2.096
155 HB2 ASP 23 HB2 ASP 23 12.358 -2.696 -3.259
156 HB3 ASP 23 HB1 ASP 23 12.386 -0.974 -3.612
157 H ASP 24 H ASP 24 9.823 -3.471 -4.106
158 HA ASP 24 HA ASP 24 9.561 -2.227 -6.596
159 HB2 ASP 24 HB2 ASP 24 9.822 -4.624 -6.346
160 HB3 ASP 24 HB1 ASP 24 8.277 -4.733 -5.524
161 H LYS 25 H LYS 25 7.224 -2.481 -3.938
162 HA LYS 25 HA LYS 25 5.301 -1.120 -5.673
163 HB2 LYS 25 HB2 LYS 25 4.804 -2.852 -3.263
164 HB3 LYS 25 HB1 LYS 25 3.592 -1.764 -3.907
165 HG2 LYS 25 HG2 LYS 25 3.061 -3.847 -4.759
166 HG3 LYS 25 HG1 LYS 25 3.882 -2.994 -6.071
167 HD2 LYS 25 HD2 LYS 25 5.901 -4.218 -5.653
168 HD3 LYS 25 HD1 LYS 25 5.175 -5.003 -4.245
169 HE2 LYS 25 HE2 LYS 25 3.483 -6.004 -5.671
170 HE3 LYS 25 HE1 LYS 25 4.203 -5.227 -7.081
171 HZ1 LYS 25 HZ1 LYS 25 6.235 -6.462 -6.641
172 HZ2 LYS 25 HZ2 LYS 25 4.910 -7.479 -6.933
173 HZ3 LYS 25 HZ3 LYS 25 5.460 -7.290 -5.357
174 H LEU 26 H LEU 26 7.514 -0.203 -3.466
175 HA LEU 26 HA LEU 26 6.127 1.083 -1.445
176 HB2 LEU 26 HB2 LEU 26 8.764 1.804 -2.661
177 HB3 LEU 26 HB1 LEU 26 8.087 2.709 -1.325
178 HG LEU 26 HG LEU 26 8.746 -0.231 -1.276
179 HD11 LEU 26 HD11 LEU 26 10.129 2.129 0.011
180 HD12 LEU 26 HD12 LEU 26 10.741 1.216 -1.364
181 HD13 LEU 26 HD13 LEU 26 10.578 0.436 0.212
182 HD21 LEU 26 HD21 LEU 26 8.363 -0.017 1.151
183 HD22 LEU 26 HD22 LEU 26 6.908 0.272 0.210
184 HD23 LEU 26 HD23 LEU 26 7.794 1.634 0.897
185 H LEU 27 H LEU 27 7.010 2.669 -4.548
186 HA LEU 27 HA LEU 27 5.947 5.162 -3.930
187 HB2 LEU 27 HB2 LEU 27 7.405 4.785 -5.813
188 HB3 LEU 27 HB1 LEU 27 6.237 3.668 -6.509
189 HG LEU 27 HG LEU 27 4.668 5.539 -6.475
190 HD11 LEU 27 HD11 LEU 27 5.836 7.149 -5.130
191 HD12 LEU 27 HD12 LEU 27 5.644 7.828 -6.746
192 HD13 LEU 27 HD13 LEU 27 7.200 7.165 -6.247
193 HD21 LEU 27 HD21 LEU 27 5.442 6.352 -8.689
194 HD22 LEU 27 HD22 LEU 27 5.453 4.599 -8.454
195 HD23 LEU 27 HD23 LEU 27 6.971 5.502 -8.387
196 H GLU 28 H GLU 28 4.649 2.282 -5.422
197 HA GLU 28 HA GLU 28 2.128 3.210 -6.252
198 HB2 GLU 28 HB2 GLU 28 2.873 0.427 -5.321
199 HB3 GLU 28 HB1 GLU 28 1.519 0.856 -6.352
200 HG2 GLU 28 HG2 GLU 28 4.406 1.242 -7.113
201 HG3 GLU 28 HG1 GLU 28 3.458 -0.183 -7.519
202 H MET 29 H MET 29 3.390 1.968 -3.276
203 HA MET 29 HA MET 29 0.788 1.614 -2.093
204 HB2 MET 29 HB2 MET 29 3.530 1.266 -0.950
205 HB3 MET 29 HB1 MET 29 2.049 0.954 -0.045
206 HG2 MET 29 HG2 MET 29 3.178 -0.478 -2.410
207 HG3 MET 29 HG1 MET 29 2.810 -1.065 -0.787
208 HE1 MET 29 HE1 MET 29 0.266 -1.305 0.124
209 HE2 MET 29 HE2 MET 29 -1.154 -0.923 -0.868
210 HE3 MET 29 3HE MET 29 -0.013 0.347 -0.419
211 H GLY 30 H GLY 30 3.116 3.996 -2.268
212 HA2 GLY 30 HA2 GLY 30 2.522 5.480 0.051
213 HA3 GLY 30 HA1 GLY 30 3.205 6.138 -1.433
214 H TYR 31 H TYR 31 0.931 5.149 -3.010
215 HA TYR 31 HA TYR 31 -0.974 7.095 -2.052
216 HB2 TYR 31 HB2 TYR 31 -1.881 7.239 -4.353
217 HB3 TYR 31 HB1 TYR 31 -0.236 7.819 -4.086
218 HD1 TYR 31 HD1 TYR 31 1.610 6.867 -5.277
219 HD2 TYR 31 HD2 TYR 31 -2.287 5.208 -5.640
220 HE1 TYR 31 HE1 TYR 31 2.336 5.644 -7.212
221 HE2 TYR 31 HE2 TYR 31 -1.575 3.945 -7.585
222 HH TYR 31 HH TYR 31 1.724 3.633 -8.520
223 H TYR 32 H TYR 32 -0.702 3.865 -3.052
224 HA TYR 32 HA TYR 32 -3.474 3.306 -2.974
225 HB2 TYR 32 HB2 TYR 32 -1.123 1.429 -2.918
226 HB3 TYR 32 HB1 TYR 32 -2.741 0.819 -2.647
227 HD1 TYR 32 HD1 TYR 32 -4.370 2.308 -4.475
228 HD2 TYR 32 HD2 TYR 32 -0.455 0.752 -5.021
229 HE1 TYR 32 HE1 TYR 32 -4.780 2.177 -6.838
230 HE2 TYR 32 HE2 TYR 32 -0.851 0.613 -7.440
231 HH TYR 32 HH TYR 32 -2.809 0.431 -8.944
232 H CYS 33 H CYS 33 -1.046 2.468 -0.477
233 HA CYS 33 HA CYS 33 -3.254 2.726 1.399
234 HB2 CYS 33 HB2 CYS 33 -1.449 0.329 1.297
235 HB3 CYS 33 HB1 CYS 33 -2.688 0.633 2.522
236 HA PRO 34 HA PRO 34 0.678 4.778 2.637
237 HB2 PRO 34 HB2 PRO 34 -0.345 7.206 3.129
238 HB3 PRO 34 HB1 PRO 34 0.081 6.673 1.497
239 HG2 PRO 34 HG2 PRO 34 -2.602 6.723 2.823
240 HG3 PRO 34 HG1 PRO 34 -2.167 7.239 1.189
241 HD2 PRO 34 HD2 PRO 34 -3.293 4.867 1.722
242 HD3 PRO 34 HD1 PRO 34 -2.155 5.100 0.379
243 H VAL 35 H VAL 35 -2.440 4.540 4.111
244 HA VAL 35 HA VAL 35 -1.357 5.441 6.597
245 HB VAL 35 HB VAL 35 -4.133 4.385 6.055
246 HG11 VAL 35 HG11 VAL 35 -4.731 5.421 8.188
247 HG12 VAL 35 HG12 VAL 35 -3.051 5.907 8.416
248 HG13 VAL 35 3HG1 VAL 35 -3.476 4.196 8.408
249 HG21 VAL 35 HG21 VAL 35 -3.669 6.380 4.778
250 HG22 VAL 35 HG22 VAL 35 -3.066 7.193 6.215
251 HG23 VAL 35 HG23 VAL 35 -4.780 6.777 6.096
252 H THR 36 H THR 36 -2.608 2.511 5.143
253 HA THR 36 HA THR 36 -2.481 0.740 7.259
254 HB THR 36 HB THR 36 -1.878 0.095 4.370
255 HG1 THR 36 HG1 THR 36 -3.840 1.163 4.530
256 HG21 THR 36 HG21 THR 36 -2.762 -2.146 4.931
257 HG22 THR 36 HG22 THR 36 -2.998 -1.637 6.601
258 HG23 THR 36 HG23 THR 36 -1.370 -1.754 5.937
259 H CYS 37 H CYS 37 0.175 1.362 4.897
260 HA CYS 37 HA CYS 37 1.793 -0.315 6.619
261 HB2 CYS 37 HB2 CYS 37 2.416 0.822 3.913
262 HB3 CYS 37 HB1 CYS 37 3.479 -0.256 4.822
263 H GLY 38 H GLY 38 1.005 2.665 6.962
264 HA2 GLY 38 HA2 GLY 38 1.860 4.103 8.551
265 HA3 GLY 38 HA1 GLY 38 3.271 3.066 8.646
266 H PHE 39 H PHE 39 2.011 4.823 5.840
267 HA PHE 39 HA PHE 39 4.578 6.154 5.536
268 HB2 PHE 39 HB2 PHE 39 1.996 6.375 3.942
269 HB3 PHE 39 HB1 PHE 39 3.488 7.195 3.532
270 HD1 PHE 39 HD1 PHE 39 5.090 6.145 2.229
271 HD2 PHE 39 HD2 PHE 39 1.916 3.854 3.849
272 HE1 PHE 39 HE1 PHE 39 5.740 4.256 0.790
273 HE2 PHE 39 HE2 PHE 39 2.556 1.952 2.396
274 HZ PHE 39 HZ PHE 39 4.469 2.160 0.882
275 HA CYS 40 HA CYS 40 1.764 9.114 7.711
276 HB2 CYS 40 HB2 CYS 40 0.226 10.615 6.282
277 HB3 CYS 40 HB1 CYS 40 1.874 10.367 5.710
278 HN1 NH2 41 H1 CYS 40 0.690 7.868 9.226
279 HN2 NH2 41 H2 CYS 40 -1.008 7.553 9.171
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 -4.162 17.050 -0.326
2 H2 GLU 1 HT2 GLU 1 -3.563 16.932 -1.894
3 H3 GLU 1 HT3 GLU 1 -2.848 16.045 -0.628
4 HA GLU 1 HA GLU 1 -5.581 15.658 -1.617
5 HB2 GLU 1 HB2 GLU 1 -4.831 13.570 -2.544
6 HB3 GLU 1 HB1 GLU 1 -3.715 14.788 -3.133
7 HG2 GLU 1 HG2 GLU 1 -3.177 12.879 -0.847
8 HG3 GLU 1 HG1 GLU 1 -2.641 12.641 -2.503
9 H HIS 2 H HIS 2 -6.427 13.601 -0.635
10 HA HIS 2 HA HIS 2 -5.743 13.497 2.193
11 HB2 HIS 2 HB2 HIS 2 -7.848 11.963 0.632
12 HB3 HIS 2 HB1 HIS 2 -7.677 11.994 2.378
13 HD1 HIS 2 HD1 HIS 2 -9.905 13.203 0.015
14 HD2 HIS 2 HD2 HIS 2 -7.836 15.022 3.125
15 HE1 HIS 2 HE1 HIS 2 -11.190 15.281 0.578
16 H CYS 3 H CYS 3 -3.995 12.191 2.587
17 HA CYS 3 HA CYS 3 -3.605 9.964 0.831
18 HB2 CYS 3 HB2 CYS 3 -1.581 9.436 2.124
19 HB3 CYS 3 HB1 CYS 3 -1.602 11.119 1.636
20 H ALA 4 H ALA 4 -4.904 8.366 0.994
21 HA ALA 4 HA ALA 4 -5.321 7.091 3.554
22 HB1 ALA 4 HB1 ALA 4 -7.189 8.660 3.385
23 HB2 ALA 4 HB2 ALA 4 -7.747 6.993 3.231
24 HB3 ALA 4 HB3 ALA 4 -7.599 8.009 1.798
25 H ASP 5 H ASP 5 -5.629 4.974 3.348
26 HA ASP 5 HA ASP 5 -4.695 3.618 1.087
27 HB2 ASP 5 HB2 ASP 5 -6.531 2.425 3.167
28 HB3 ASP 5 HB1 ASP 5 -5.277 1.612 2.240
29 H GLU 6 H GLU 6 -5.626 2.829 -0.654
30 HA GLU 6 HA GLU 6 -8.069 3.892 -1.523
31 HB2 GLU 6 HB2 GLU 6 -6.207 3.399 -3.025
32 HB3 GLU 6 HB1 GLU 6 -6.348 1.689 -2.661
33 HG2 GLU 6 HG2 GLU 6 -7.276 2.262 -4.815
34 HG3 GLU 6 HG1 GLU 6 -8.494 1.599 -3.723
35 H LYS 7 H LYS 7 -10.082 3.091 -1.543
36 HA LYS 7 HA LYS 7 -10.608 0.882 0.180
37 HB2 LYS 7 HB2 LYS 7 -12.962 1.513 -0.214
38 HB3 LYS 7 HB1 LYS 7 -11.961 2.786 0.469
39 HG2 LYS 7 HG2 LYS 7 -11.757 3.774 -1.794
40 HG3 LYS 7 HG1 LYS 7 -12.856 2.534 -2.397
41 HD2 LYS 7 HD2 LYS 7 -13.487 4.444 -0.188
42 HD3 LYS 7 HD1 LYS 7 -13.965 4.711 -1.875
43 HE2 LYS 7 HE2 LYS 7 -15.185 2.565 -1.788
44 HE3 LYS 7 HE1 LYS 7 -14.731 2.421 -0.093
45 HZ1 LYS 7 HZ1 LYS 7 -16.016 4.381 0.427
46 HZ2 LYS 7 HZ2 LYS 7 -16.982 3.281 -0.405
47 HZ3 LYS 7 HZ3 LYS 7 -16.393 4.623 -1.209
48 H ASN 8 H ASN 8 -10.150 1.276 -3.085
49 HA ASN 8 HA ASN 8 -11.807 -1.030 -3.871
50 HB2 ASN 8 HB2 ASN 8 -9.955 0.634 -5.604
51 HB3 ASN 8 HB1 ASN 8 -11.111 -0.557 -6.174
52 HD21 ASN 8 HD21 ASN 8 -10.896 2.141 -6.948
53 HD22 ASN 8 HD22 ASN 8 -12.374 2.941 -6.547
54 H PHE 9 H PHE 9 -9.068 -0.710 -2.351
55 HA PHE 9 HA PHE 9 -7.603 -2.907 -3.679
56 HB2 PHE 9 HB2 PHE 9 -6.748 -0.488 -3.930
57 HB3 PHE 9 HB1 PHE 9 -6.444 -0.559 -2.202
58 HD1 PHE 9 HD1 PHE 9 -4.374 -1.220 -1.508
59 HD2 PHE 9 HD2 PHE 9 -5.815 -2.470 -5.288
60 HE1 PHE 9 HE1 PHE 9 -2.205 -2.238 -1.986
61 HE2 PHE 9 HE2 PHE 9 -3.703 -3.492 -5.792
62 HZ PHE 9 HZ PHE 9 -1.824 -3.363 -4.120
63 H ASP 10 H ASP 10 -6.697 -4.329 -2.051
64 HA ASP 10 HA ASP 10 -7.710 -3.744 0.640
65 HB2 ASP 10 HB2 ASP 10 -8.408 -5.957 -0.424
66 HB3 ASP 10 HB1 ASP 10 -6.724 -6.454 -0.277
67 H CYS 11 H CYS 11 -6.226 -2.597 1.553
68 HA CYS 11 HA CYS 11 -3.471 -2.952 1.053
69 HB2 CYS 11 HB2 CYS 11 -4.996 -1.192 2.933
70 HB3 CYS 11 HB1 CYS 11 -3.233 -1.194 2.835
71 H ARG 12 H ARG 12 -5.622 -4.239 3.408
72 HA ARG 12 HA ARG 12 -3.604 -4.830 5.346
73 HB2 ARG 12 HB2 ARG 12 -6.279 -6.157 4.912
74 HB3 ARG 12 HB1 ARG 12 -5.241 -6.401 6.307
75 HG2 ARG 12 HG2 ARG 12 -6.634 -3.859 5.511
76 HG3 ARG 12 HG1 ARG 12 -7.029 -4.915 6.863
77 HD2 ARG 12 HD2 ARG 12 -4.766 -4.429 7.802
78 HD3 ARG 12 HD1 ARG 12 -4.533 -3.266 6.500
79 HE ARG 12 HE ARG 12 -6.615 -3.080 8.555
80 HH11 ARG 12 HH11 ARG 12 -4.407 -1.452 6.267
81 HH12 ARG 12 HH12 ARG 12 -4.774 0.088 6.835
82 HH21 ARG 12 HH21 ARG 12 -7.068 -0.931 9.324
83 HH22 ARG 12 HH22 ARG 12 -6.300 0.403 8.621
84 H ARG 13 H ARG 13 -5.219 -6.684 2.841
85 HA ARG 13 HA ARG 13 -3.703 -9.015 3.182
86 HB2 ARG 13 HB2 ARG 13 -5.826 -8.950 1.929
87 HB3 ARG 13 HB1 ARG 13 -5.051 -8.003 0.670
88 HG2 ARG 13 HG2 ARG 13 -3.571 -9.860 0.155
89 HG3 ARG 13 HG1 ARG 13 -4.297 -10.808 1.454
90 HD2 ARG 13 HD2 ARG 13 -5.264 -11.489 -0.637
91 HD3 ARG 13 HD1 ARG 13 -6.474 -10.629 0.309
92 HE ARG 13 HE ARG 13 -4.979 -9.105 -1.644
93 HH11 ARG 13 HH11 ARG 13 -8.034 -10.592 -0.709
94 HH12 ARG 13 HH12 ARG 13 -8.908 -10.025 -2.050
95 HH21 ARG 13 HH21 ARG 13 -6.204 -8.297 -3.525
96 HH22 ARG 13 HH22 ARG 13 -7.855 -8.694 -3.656
97 H SER 14 H SER 14 -3.239 -6.219 1.034
98 HA SER 14 HA SER 14 -0.977 -7.177 -0.311
99 HB2 SER 14 HB2 SER 14 -1.681 -4.307 0.342
100 HB3 SER 14 HB1 SER 14 -0.586 -4.842 -0.938
101 HG SER 14 HG SER 14 -3.350 -4.873 -0.835
102 H LEU 15 H LEU 15 -1.298 -5.544 2.778
103 HA LEU 15 HA LEU 15 1.409 -5.159 3.339
104 HB2 LEU 15 HB2 LEU 15 -0.390 -4.140 4.641
105 HB3 LEU 15 HB1 LEU 15 -0.921 -5.717 5.174
106 HG LEU 15 HG LEU 15 1.197 -5.987 6.421
107 HD11 LEU 15 HD11 LEU 15 2.644 -4.046 6.756
108 HD12 LEU 15 HD12 LEU 15 1.701 -3.146 5.559
109 HD13 LEU 15 HD13 LEU 15 2.607 -4.582 5.076
110 HD21 LEU 15 HD21 LEU 15 0.665 -4.383 8.190
111 HD22 LEU 15 HD22 LEU 15 -0.793 -5.130 7.529
112 HD23 LEU 15 HD23 LEU 15 -0.353 -3.485 7.063
113 H ARG 16 H ARG 16 -0.787 -7.849 3.956
114 HA ARG 16 HA ARG 16 1.158 -9.443 5.300
115 HB2 ARG 16 HB2 ARG 16 -1.464 -10.296 4.079
116 HB3 ARG 16 HB1 ARG 16 -0.510 -11.218 5.233
117 HG2 ARG 16 HG2 ARG 16 -1.879 -8.584 5.731
118 HG3 ARG 16 HG1 ARG 16 -2.356 -10.160 6.366
119 HD2 ARG 16 HD2 ARG 16 -0.319 -10.301 7.653
120 HD3 ARG 16 HD1 ARG 16 0.282 -8.818 6.917
121 HE ARG 16 HE ARG 16 -2.212 -8.538 8.256
122 HH11 ARG 16 HH11 ARG 16 1.331 -8.376 8.554
123 HH12 ARG 16 HH12 ARG 16 1.302 -7.410 9.953
124 HH21 ARG 16 HH21 ARG 16 -2.208 -7.190 10.217
125 HH22 ARG 16 HH22 ARG 16 -0.725 -6.745 10.923
126 H ASN 17 H ASN 17 0.119 -9.211 1.986
127 HA ASN 17 HA ASN 17 1.310 -11.598 0.998
128 HB2 ASN 17 HB2 ASN 17 1.023 -8.978 -0.470
129 HB3 ASN 17 HB1 ASN 17 1.366 -10.534 -1.187
130 HD21 ASN 17 HD21 ASN 17 -0.639 -8.677 -1.719
131 HD22 ASN 17 HD22 ASN 17 -2.173 -9.441 -1.521
132 H GLY 18 H GLY 18 2.463 -8.392 1.598
133 HA2 GLY 18 HA2 GLY 18 4.785 -8.091 2.202
134 HA3 GLY 18 HA1 GLY 18 5.188 -9.330 1.019
135 H ASP 19 H ASP 19 2.740 -7.280 -0.062
136 HA ASP 19 HA ASP 19 4.360 -6.154 -2.116
137 HB2 ASP 19 HB2 ASP 19 1.570 -5.438 -1.167
138 HB3 ASP 19 HB1 ASP 19 2.339 -4.682 -2.554
139 H CYS 20 H CYS 20 3.200 -5.146 0.937
140 HA CYS 20 HA CYS 20 4.185 -2.445 0.746
141 HB2 CYS 20 HB2 CYS 20 2.128 -3.002 1.980
142 HB3 CYS 20 HB1 CYS 20 3.067 -4.032 3.049
143 H ASP 21 H ASP 21 5.655 -5.361 1.197
144 HA ASP 21 HA ASP 21 7.660 -4.392 3.126
145 HB2 ASP 21 HB2 ASP 21 6.634 -6.495 3.728
146 HB3 ASP 21 HB1 ASP 21 6.882 -7.132 2.116
147 H ASN 22 H ASN 22 7.042 -4.845 -0.129
148 HA ASN 22 HA ASN 22 9.777 -5.380 -0.929
149 HB2 ASN 22 HB2 ASN 22 7.827 -6.430 -2.105
150 HB3 ASN 22 HB1 ASN 22 7.349 -4.831 -2.652
151 HD21 ASN 22 HD21 ASN 22 8.024 -7.117 -4.243
152 HD22 ASN 22 HD22 ASN 22 9.371 -6.673 -5.219
153 H ASP 23 H ASP 23 11.159 -3.810 -1.360
154 HA ASP 23 HA ASP 23 10.556 -1.091 -0.989
155 HB2 ASP 23 HB2 ASP 23 12.796 -0.591 -1.815
156 HB3 ASP 23 HB1 ASP 23 12.826 -1.920 -0.661
157 H ASP 24 H ASP 24 10.635 -3.042 -3.821
158 HA ASP 24 HA ASP 24 10.676 -0.960 -5.759
159 HB2 ASP 24 HB2 ASP 24 11.332 -3.249 -6.308
160 HB3 ASP 24 HB1 ASP 24 9.699 -3.803 -5.987
161 H LYS 25 H LYS 25 8.117 -2.459 -3.922
162 HA LYS 25 HA LYS 25 6.103 -1.277 -5.643
163 HB2 LYS 25 HB2 LYS 25 5.960 -3.186 -3.353
164 HB3 LYS 25 HB1 LYS 25 4.563 -2.556 -4.213
165 HG2 LYS 25 HG2 LYS 25 5.283 -3.575 -6.247
166 HG3 LYS 25 HG1 LYS 25 6.794 -4.100 -5.492
167 HD2 LYS 25 HD2 LYS 25 5.700 -5.503 -4.035
168 HD3 LYS 25 HD1 LYS 25 4.128 -4.813 -4.431
169 HE2 LYS 25 HE2 LYS 25 4.344 -5.722 -6.740
170 HE3 LYS 25 HE1 LYS 25 5.896 -6.430 -6.298
171 HZ1 LYS 25 HZ1 LYS 25 4.023 -8.001 -6.281
172 HZ2 LYS 25 HZ2 LYS 25 3.317 -7.142 -4.996
173 HZ3 LYS 25 HZ3 LYS 25 4.812 -7.909 -4.802
174 H LEU 26 H LEU 26 7.857 -0.349 -3.048
175 HA LEU 26 HA LEU 26 5.979 0.730 -1.317
176 HB2 LEU 26 HB2 LEU 26 8.761 1.710 -1.892
177 HB3 LEU 26 HB1 LEU 26 7.746 2.403 -0.643
178 HG LEU 26 HG LEU 26 8.682 -0.462 -0.751
179 HD11 LEU 26 HD11 LEU 26 9.531 1.825 1.024
180 HD12 LEU 26 HD12 LEU 26 10.498 1.090 -0.254
181 HD13 LEU 26 HD13 LEU 26 10.067 0.153 1.176
182 HD21 LEU 26 HD21 LEU 26 6.520 -0.298 0.347
183 HD22 LEU 26 HD22 LEU 26 7.106 1.027 1.350
184 HD23 LEU 26 HD23 LEU 26 7.781 -0.590 1.545
185 H LEU 27 H LEU 27 7.147 2.232 -4.370
186 HA LEU 27 HA LEU 27 6.003 4.709 -3.968
187 HB2 LEU 27 HB2 LEU 27 7.596 3.702 -5.746
188 HB3 LEU 27 HB1 LEU 27 6.127 3.253 -6.565
189 HG LEU 27 HG LEU 27 7.255 5.181 -7.381
190 HD11 LEU 27 HD11 LEU 27 5.235 6.680 -7.609
191 HD12 LEU 27 HD12 LEU 27 4.465 5.753 -6.320
192 HD13 LEU 27 HD13 LEU 27 4.853 4.975 -7.853
193 HD21 LEU 27 HD21 LEU 27 7.102 7.361 -6.214
194 HD22 LEU 27 HD22 LEU 27 8.103 6.172 -5.377
195 HD23 LEU 27 HD23 LEU 27 6.472 6.516 -4.804
196 H GLU 28 H GLU 28 4.740 1.672 -5.285
197 HA GLU 28 HA GLU 28 2.176 2.517 -6.080
198 HB2 GLU 28 HB2 GLU 28 3.054 -0.164 -4.976
199 HB3 GLU 28 HB1 GLU 28 1.547 0.136 -5.823
200 HG2 GLU 28 HG2 GLU 28 4.278 0.506 -7.019
201 HG3 GLU 28 HG1 GLU 28 3.290 -0.943 -7.204
202 H MET 29 H MET 29 3.560 1.540 -3.043
203 HA MET 29 HA MET 29 1.070 1.326 -1.618
204 HB2 MET 29 HB2 MET 29 3.922 1.445 -0.644
205 HB3 MET 29 HB1 MET 29 2.530 1.058 0.355
206 HG2 MET 29 HG2 MET 29 3.524 -0.580 -1.975
207 HG3 MET 29 HG1 MET 29 3.951 -0.864 -0.301
208 HE1 MET 29 HE1 MET 29 -0.029 -1.970 -2.385
209 HE2 MET 29 HE2 MET 29 1.491 -1.572 -3.181
210 HE3 MET 29 3HE MET 29 0.523 -0.301 -2.440
211 H GLY 30 H GLY 30 3.297 3.793 -2.411
212 HA2 GLY 30 HA2 GLY 30 2.824 5.596 -0.306
213 HA3 GLY 30 HA1 GLY 30 3.401 6.029 -1.907
214 H TYR 31 H TYR 31 1.018 4.865 -3.159
215 HA TYR 31 HA TYR 31 -0.840 6.890 -2.269
216 HB2 TYR 31 HB2 TYR 31 -1.780 7.027 -4.566
217 HB3 TYR 31 HB1 TYR 31 -0.123 7.592 -4.347
218 HD1 TYR 31 HD1 TYR 31 -2.311 5.426 -6.142
219 HD2 TYR 31 HD2 TYR 31 1.746 6.144 -5.160
220 HE1 TYR 31 HE1 TYR 31 -1.625 4.093 -8.048
221 HE2 TYR 31 HE2 TYR 31 2.473 4.805 -7.041
222 HH TYR 31 HH TYR 31 1.609 3.044 -8.559
223 H TYR 32 H TYR 32 -0.643 3.642 -3.357
224 HA TYR 32 HA TYR 32 -3.427 3.161 -3.065
225 HB2 TYR 32 HB2 TYR 32 -1.117 1.283 -3.365
226 HB3 TYR 32 HB1 TYR 32 -2.656 0.630 -2.849
227 HD1 TYR 32 HD1 TYR 32 -4.678 1.100 -4.267
228 HD2 TYR 32 HD2 TYR 32 -0.710 1.728 -5.625
229 HE1 TYR 32 HE1 TYR 32 -5.477 1.037 -6.573
230 HE2 TYR 32 HE2 TYR 32 -1.498 1.667 -7.948
231 HH TYR 32 HH TYR 32 -4.841 1.757 -8.691
232 H CYS 33 H CYS 33 -0.749 2.652 -0.778
233 HA CYS 33 HA CYS 33 -2.786 2.252 1.300
234 HB2 CYS 33 HB2 CYS 33 -0.336 0.534 0.903
235 HB3 CYS 33 HB1 CYS 33 -1.528 0.377 2.191
236 HA PRO 34 HA PRO 34 0.905 5.108 2.231
237 HB2 PRO 34 HB2 PRO 34 -0.458 7.355 2.882
238 HB3 PRO 34 HB1 PRO 34 0.003 6.962 1.221
239 HG2 PRO 34 HG2 PRO 34 -2.611 6.518 2.606
240 HG3 PRO 34 HG1 PRO 34 -2.321 7.196 1.001
241 HD2 PRO 34 HD2 PRO 34 -3.051 4.654 1.341
242 HD3 PRO 34 HD1 PRO 34 -1.907 5.115 0.063
243 H VAL 35 H VAL 35 -2.094 4.468 3.889
244 HA VAL 35 HA VAL 35 -0.949 5.428 6.343
245 HB VAL 35 HB VAL 35 -3.678 4.226 5.888
246 HG11 VAL 35 HG11 VAL 35 -2.574 5.754 8.244
247 HG12 VAL 35 HG12 VAL 35 -2.910 4.023 8.213
248 HG13 VAL 35 3HG1 VAL 35 -4.238 5.182 8.068
249 HG21 VAL 35 HG21 VAL 35 -2.781 7.083 6.129
250 HG22 VAL 35 HG22 VAL 35 -4.458 6.538 5.928
251 HG23 VAL 35 HG23 VAL 35 -3.263 6.270 4.650
252 H THR 36 H THR 36 -2.045 2.418 4.916
253 HA THR 36 HA THR 36 -1.515 0.714 7.062
254 HB THR 36 HB THR 36 -1.269 0.058 4.124
255 HG1 THR 36 HG1 THR 36 -3.253 1.008 4.500
256 HG21 THR 36 HG21 THR 36 -0.471 -1.718 5.626
257 HG22 THR 36 HG22 THR 36 -1.971 -2.193 4.828
258 HG23 THR 36 HG23 THR 36 -1.997 -1.658 6.508
259 H CYS 37 H CYS 37 0.606 1.836 4.464
260 HA CYS 37 HA CYS 37 2.793 0.289 5.494
261 HB2 CYS 37 HB2 CYS 37 2.544 2.122 3.153
262 HB3 CYS 37 HB1 CYS 37 4.035 1.248 3.545
263 H GLY 38 H GLY 38 1.571 3.188 6.455
264 HA2 GLY 38 HA2 GLY 38 2.415 4.574 8.086
265 HA3 GLY 38 HA1 GLY 38 3.919 3.684 8.014
266 H PHE 39 H PHE 39 2.315 5.503 5.429
267 HA PHE 39 HA PHE 39 4.674 7.208 5.131
268 HB2 PHE 39 HB2 PHE 39 2.096 7.014 3.539
269 HB3 PHE 39 HB1 PHE 39 3.365 8.175 3.194
270 HD1 PHE 39 HD1 PHE 39 5.228 7.577 1.919
271 HD2 PHE 39 HD2 PHE 39 2.542 4.591 3.283
272 HE1 PHE 39 HE1 PHE 39 6.325 5.950 0.440
273 HE2 PHE 39 HE2 PHE 39 3.655 2.932 1.780
274 HZ PHE 39 HZ PHE 39 5.533 3.624 0.377
275 HA CYS 40 HA CYS 40 1.646 10.058 6.936
276 HB2 CYS 40 HB2 CYS 40 -0.886 8.492 6.377
277 HB3 CYS 40 HB1 CYS 40 -0.790 10.212 6.745
278 HN1 NH2 41 H1 CYS 40 2.252 10.047 8.973
279 HN2 NH2 41 H2 CYS 40 1.586 9.071 10.241
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 -3.322 17.695 1.568
2 H2 GLU 1 HT2 GLU 1 -4.988 17.782 1.360
3 H3 GLU 1 HT3 GLU 1 -3.952 18.145 0.055
4 HA GLU 1 HA GLU 1 -4.922 15.982 -0.197
5 HB2 GLU 1 HB2 GLU 1 -2.676 16.221 -1.061
6 HB3 GLU 1 HB1 GLU 1 -1.994 15.987 0.541
7 HG2 GLU 1 HG2 GLU 1 -2.890 13.681 0.539
8 HG3 GLU 1 HG1 GLU 1 -3.426 13.927 -1.121
9 H HIS 2 H HIS 2 -6.076 14.600 0.951
10 HA HIS 2 HA HIS 2 -5.081 13.801 3.577
11 HB2 HIS 2 HB2 HIS 2 -7.476 14.545 3.441
12 HB3 HIS 2 HB1 HIS 2 -7.781 13.275 2.265
13 HD1 HIS 2 HD1 HIS 2 -7.836 13.918 5.868
14 HD2 HIS 2 HD2 HIS 2 -7.481 10.597 3.402
15 HE1 HIS 2 HE1 HIS 2 -8.322 11.919 7.318
16 H CYS 3 H CYS 3 -3.787 12.108 3.431
17 HA CYS 3 HA CYS 3 -4.074 10.323 1.199
18 HB2 CYS 3 HB2 CYS 3 -1.974 9.288 2.116
19 HB3 CYS 3 HB1 CYS 3 -1.823 10.979 1.661
20 H ALA 4 H ALA 4 -5.099 8.467 1.281
21 HA ALA 4 HA ALA 4 -5.414 7.064 3.792
22 HB1 ALA 4 HB1 ALA 4 -7.824 6.728 3.392
23 HB2 ALA 4 HB2 ALA 4 -7.747 7.814 2.007
24 HB3 ALA 4 HB3 ALA 4 -7.449 8.433 3.632
25 H ASP 5 H ASP 5 -6.030 4.820 3.375
26 HA ASP 5 HA ASP 5 -4.729 3.803 1.045
27 HB2 ASP 5 HB2 ASP 5 -6.579 2.312 2.925
28 HB3 ASP 5 HB1 ASP 5 -5.469 1.588 1.777
29 H GLU 6 H GLU 6 -5.610 2.787 -0.733
30 HA GLU 6 HA GLU 6 -8.026 3.860 -1.724
31 HB2 GLU 6 HB2 GLU 6 -6.246 3.337 -3.261
32 HB3 GLU 6 HB1 GLU 6 -6.141 1.692 -2.683
33 HG2 GLU 6 HG2 GLU 6 -7.126 1.858 -4.886
34 HG3 GLU 6 HG1 GLU 6 -8.238 1.150 -3.721
35 H LYS 7 H LYS 7 -10.008 3.107 -1.558
36 HA LYS 7 HA LYS 7 -10.538 0.905 0.199
37 HB2 LYS 7 HB2 LYS 7 -12.870 1.485 -0.054
38 HB3 LYS 7 HB1 LYS 7 -11.885 2.895 0.306
39 HG2 LYS 7 HG2 LYS 7 -11.979 3.586 -2.023
40 HG3 LYS 7 HG1 LYS 7 -12.891 2.135 -2.427
41 HD2 LYS 7 HD2 LYS 7 -14.441 3.949 -2.202
42 HD3 LYS 7 HD1 LYS 7 -14.605 2.826 -0.842
43 HE2 LYS 7 HE2 LYS 7 -13.304 4.328 0.575
44 HE3 LYS 7 HE1 LYS 7 -13.113 5.447 -0.776
45 HZ1 LYS 7 HZ1 LYS 7 -14.874 6.132 0.701
46 HZ2 LYS 7 HZ2 LYS 7 -15.676 4.669 0.486
47 HZ3 LYS 7 HZ3 LYS 7 -15.496 5.737 -0.816
48 H ASN 8 H ASN 8 -10.209 1.237 -3.108
49 HA ASN 8 HA ASN 8 -11.752 -1.199 -3.688
50 HB2 ASN 8 HB2 ASN 8 -10.266 0.663 -5.558
51 HB3 ASN 8 HB1 ASN 8 -11.159 -0.759 -6.077
52 HD21 ASN 8 HD21 ASN 8 -11.378 2.443 -4.783
53 HD22 ASN 8 HD22 ASN 8 -13.050 2.685 -5.131
54 H PHE 9 H PHE 9 -8.928 -0.672 -2.417
55 HA PHE 9 HA PHE 9 -7.502 -2.877 -3.789
56 HB2 PHE 9 HB2 PHE 9 -6.603 -0.488 -4.051
57 HB3 PHE 9 HB1 PHE 9 -6.301 -0.546 -2.318
58 HD1 PHE 9 HD1 PHE 9 -5.638 -2.332 -5.449
59 HD2 PHE 9 HD2 PHE 9 -4.319 -1.429 -1.536
60 HE1 PHE 9 HE1 PHE 9 -3.571 -3.415 -5.935
61 HE2 PHE 9 HE2 PHE 9 -2.180 -2.525 -1.996
62 HZ PHE 9 HZ PHE 9 -1.765 -3.515 -4.198
63 H ASP 10 H ASP 10 -6.647 -4.377 -2.264
64 HA ASP 10 HA ASP 10 -7.616 -3.830 0.430
65 HB2 ASP 10 HB2 ASP 10 -8.331 -5.995 -0.754
66 HB3 ASP 10 HB1 ASP 10 -6.681 -6.546 -0.461
67 H CYS 11 H CYS 11 -6.088 -2.621 1.186
68 HA CYS 11 HA CYS 11 -3.334 -3.052 0.824
69 HB2 CYS 11 HB2 CYS 11 -4.873 -1.335 2.744
70 HB3 CYS 11 HB1 CYS 11 -3.117 -1.298 2.574
71 H ARG 12 H ARG 12 -5.579 -4.411 2.946
72 HA ARG 12 HA ARG 12 -3.765 -4.892 5.122
73 HB2 ARG 12 HB2 ARG 12 -6.229 -6.531 4.616
74 HB3 ARG 12 HB1 ARG 12 -5.536 -6.048 6.152
75 HG2 ARG 12 HG2 ARG 12 -7.121 -4.328 4.241
76 HG3 ARG 12 HG1 ARG 12 -7.601 -4.896 5.833
77 HD2 ARG 12 HD2 ARG 12 -5.913 -3.470 6.874
78 HD3 ARG 12 HD1 ARG 12 -5.340 -2.957 5.285
79 HE ARG 12 HE ARG 12 -8.137 -2.503 5.962
80 HH11 ARG 12 HH11 ARG 12 -4.914 -0.975 5.466
81 HH12 ARG 12 HH12 ARG 12 -5.530 0.574 5.312
82 HH21 ARG 12 HH21 ARG 12 -8.929 -0.283 5.781
83 HH22 ARG 12 HH22 ARG 12 -7.850 0.999 5.532
84 H ARG 13 H ARG 13 -5.149 -6.741 2.447
85 HA ARG 13 HA ARG 13 -3.816 -9.170 2.693
86 HB2 ARG 13 HB2 ARG 13 -5.684 -8.596 1.134
87 HB3 ARG 13 HB1 ARG 13 -4.534 -7.704 0.164
88 HG2 ARG 13 HG2 ARG 13 -3.291 -9.762 -0.269
89 HG3 ARG 13 HG1 ARG 13 -4.459 -10.661 0.705
90 HD2 ARG 13 HD2 ARG 13 -5.062 -9.095 -1.793
91 HD3 ARG 13 HD1 ARG 13 -4.965 -10.855 -1.670
92 HE ARG 13 HE ARG 13 -6.824 -10.072 0.192
93 HH11 ARG 13 HH11 ARG 13 -6.560 -9.777 -3.347
94 HH12 ARG 13 HH12 ARG 13 -8.228 -9.813 -3.625
95 HH21 ARG 13 HH21 ARG 13 -9.115 -10.062 -0.177
96 HH22 ARG 13 HH22 ARG 13 -9.730 -9.954 -1.761
97 H SER 14 H SER 14 -2.900 -6.274 0.801
98 HA SER 14 HA SER 14 -0.469 -7.263 -0.119
99 HB2 SER 14 HB2 SER 14 -1.368 -4.410 0.318
100 HB3 SER 14 HB1 SER 14 0.002 -4.890 -0.684
101 HG SER 14 HG SER 14 -1.317 -5.691 -2.161
102 H LEU 15 H LEU 15 -1.288 -5.701 2.917
103 HA LEU 15 HA LEU 15 1.355 -5.228 3.776
104 HB2 LEU 15 HB2 LEU 15 -0.598 -4.176 4.827
105 HB3 LEU 15 HB1 LEU 15 -1.129 -5.738 5.411
106 HG LEU 15 HG LEU 15 0.891 -5.878 6.828
107 HD11 LEU 15 HD11 LEU 15 1.407 -3.067 5.865
108 HD12 LEU 15 HD12 LEU 15 2.356 -4.500 5.482
109 HD13 LEU 15 HD13 LEU 15 2.292 -3.908 7.146
110 HD21 LEU 15 HD21 LEU 15 -0.751 -3.381 7.205
111 HD22 LEU 15 HD22 LEU 15 0.199 -4.185 8.454
112 HD23 LEU 15 HD23 LEU 15 -1.193 -5.004 7.738
113 H ARG 16 H ARG 16 -0.892 -7.868 4.363
114 HA ARG 16 HA ARG 16 0.753 -9.476 5.964
115 HB2 ARG 16 HB2 ARG 16 -1.554 -10.178 4.167
116 HB3 ARG 16 HB1 ARG 16 -0.800 -11.306 5.284
117 HG2 ARG 16 HG2 ARG 16 -1.474 -10.012 7.161
118 HG3 ARG 16 HG1 ARG 16 -2.028 -8.696 6.126
119 HD2 ARG 16 HD2 ARG 16 -3.869 -10.075 6.997
120 HD3 ARG 16 HD1 ARG 16 -3.786 -10.087 5.235
121 HE ARG 16 HE ARG 16 -2.349 -12.270 6.076
122 HH11 ARG 16 HH11 ARG 16 -5.678 -11.177 6.512
123 HH12 ARG 16 HH12 ARG 16 -6.331 -12.755 6.536
124 HH21 ARG 16 HH21 ARG 16 -3.246 -14.400 6.045
125 HH22 ARG 16 HH22 ARG 16 -4.921 -14.635 6.257
126 H ASN 17 H ASN 17 0.375 -9.342 2.469
127 HA ASN 17 HA ASN 17 2.073 -11.646 2.105
128 HB2 ASN 17 HB2 ASN 17 0.766 -9.809 0.116
129 HB3 ASN 17 HB1 ASN 17 1.888 -11.076 -0.365
130 HD21 ASN 17 HD21 ASN 17 -1.199 -10.377 0.996
131 HD22 ASN 17 HD22 ASN 17 -1.881 -11.950 0.785
132 H GLY 18 H GLY 18 2.573 -8.365 2.468
133 HA2 GLY 18 HA2 GLY 18 4.762 -7.614 3.031
134 HA3 GLY 18 HA1 GLY 18 5.423 -8.927 2.075
135 H ASP 19 H ASP 19 2.965 -7.342 0.431
136 HA ASP 19 HA ASP 19 4.718 -6.258 -1.561
137 HB2 ASP 19 HB2 ASP 19 1.791 -5.716 -1.004
138 HB3 ASP 19 HB1 ASP 19 2.642 -5.132 -2.426
139 H CYS 20 H CYS 20 3.037 -5.133 1.171
140 HA CYS 20 HA CYS 20 3.409 -2.333 0.865
141 HB2 CYS 20 HB2 CYS 20 1.590 -3.406 2.158
142 HB3 CYS 20 HB1 CYS 20 2.802 -4.014 3.277
143 H ASP 21 H ASP 21 5.552 -4.821 1.671
144 HA ASP 21 HA ASP 21 7.304 -3.005 3.203
145 HB2 ASP 21 HB2 ASP 21 6.602 -5.071 4.380
146 HB3 ASP 21 HB1 ASP 21 7.315 -6.028 3.090
147 H ASN 22 H ASN 22 6.764 -4.386 0.249
148 HA ASN 22 HA ASN 22 9.495 -5.053 -0.334
149 HB2 ASN 22 HB2 ASN 22 7.617 -6.432 -1.197
150 HB3 ASN 22 HB1 ASN 22 7.088 -5.058 -2.159
151 HD21 ASN 22 HD21 ASN 22 9.581 -7.398 -1.688
152 HD22 ASN 22 HD22 ASN 22 10.286 -7.284 -3.258
153 H ASP 23 H ASP 23 10.882 -3.616 -0.872
154 HA ASP 23 HA ASP 23 10.501 -0.902 -1.136
155 HB2 ASP 23 HB2 ASP 23 12.686 -1.906 -0.692
156 HB3 ASP 23 HB1 ASP 23 12.740 -2.540 -2.332
157 H ASP 24 H ASP 24 10.788 -3.273 -3.683
158 HA ASP 24 HA ASP 24 10.764 -1.581 -5.902
159 HB2 ASP 24 HB2 ASP 24 11.420 -3.912 -6.020
160 HB3 ASP 24 HB1 ASP 24 9.792 -4.412 -5.601
161 H LYS 25 H LYS 25 8.124 -2.780 -3.950
162 HA LYS 25 HA LYS 25 6.136 -1.935 -5.924
163 HB2 LYS 25 HB2 LYS 25 5.629 -3.252 -3.241
164 HB3 LYS 25 HB1 LYS 25 4.536 -3.118 -4.611
165 HG2 LYS 25 HG2 LYS 25 7.044 -4.729 -4.550
166 HG3 LYS 25 HG1 LYS 25 5.406 -5.341 -4.334
167 HD2 LYS 25 HD2 LYS 25 4.830 -4.591 -6.574
168 HD3 LYS 25 HD1 LYS 25 6.462 -3.944 -6.778
169 HE2 LYS 25 HE2 LYS 25 5.828 -6.765 -6.130
170 HE3 LYS 25 HE1 LYS 25 6.097 -6.199 -7.789
171 HZ1 LYS 25 HZ1 LYS 25 8.077 -6.087 -5.546
172 HZ2 LYS 25 HZ2 LYS 25 8.336 -5.512 -7.108
173 HZ3 LYS 25 HZ3 LYS 25 8.130 -7.156 -6.843
174 H LEU 26 H LEU 26 7.814 -0.580 -3.384
175 HA LEU 26 HA LEU 26 5.823 0.590 -1.857
176 HB2 LEU 26 HB2 LEU 26 8.650 1.488 -2.250
177 HB3 LEU 26 HB1 LEU 26 7.544 2.297 -1.159
178 HG LEU 26 HG LEU 26 8.482 -0.562 -0.959
179 HD11 LEU 26 HD11 LEU 26 9.014 1.843 0.776
180 HD12 LEU 26 HD12 LEU 26 10.162 1.087 -0.325
181 HD13 LEU 26 HD13 LEU 26 9.577 0.200 1.085
182 HD21 LEU 26 HD21 LEU 26 6.191 -0.416 -0.185
183 HD22 LEU 26 HD22 LEU 26 6.581 0.998 0.789
184 HD23 LEU 26 HD23 LEU 26 7.270 -0.573 1.201
185 H LEU 27 H LEU 27 7.129 1.881 -4.924
186 HA LEU 27 HA LEU 27 6.147 4.423 -4.727
187 HB2 LEU 27 HB2 LEU 27 7.556 3.110 -6.488
188 HB3 LEU 27 HB1 LEU 27 5.991 2.735 -7.168
189 HG LEU 27 HG LEU 27 7.219 4.489 -8.234
190 HD11 LEU 27 HD11 LEU 27 5.304 6.090 -8.479
191 HD12 LEU 27 HD12 LEU 27 4.585 5.390 -7.031
192 HD13 LEU 27 HD13 LEU 27 4.764 4.409 -8.487
193 HD21 LEU 27 HD21 LEU 27 6.702 6.072 -5.738
194 HD22 LEU 27 HD22 LEU 27 7.320 6.752 -7.245
195 HD23 LEU 27 HD23 LEU 27 8.263 5.548 -6.362
196 H GLU 28 H GLU 28 4.642 1.454 -5.927
197 HA GLU 28 HA GLU 28 2.108 2.520 -6.506
198 HB2 GLU 28 HB2 GLU 28 3.163 -0.255 -6.086
199 HB3 GLU 28 HB1 GLU 28 1.434 0.005 -6.200
200 HG2 GLU 28 HG2 GLU 28 2.477 -0.691 -8.330
201 HG3 GLU 28 HG1 GLU 28 1.644 0.852 -8.429
202 H MET 29 H MET 29 3.579 1.308 -3.605
203 HA MET 29 HA MET 29 1.094 0.986 -2.168
204 HB2 MET 29 HB2 MET 29 3.924 1.129 -1.116
205 HB3 MET 29 HB1 MET 29 2.515 0.689 -0.184
206 HG2 MET 29 HG2 MET 29 3.589 -0.899 -2.516
207 HG3 MET 29 HG1 MET 29 3.972 -1.225 -0.839
208 HE1 MET 29 HE1 MET 29 0.044 -2.282 -3.033
209 HE2 MET 29 HE2 MET 29 1.581 -1.879 -3.790
210 HE3 MET 29 3HE MET 29 0.604 -0.615 -3.054
211 H GLY 30 H GLY 30 3.331 3.517 -2.782
212 HA2 GLY 30 HA2 GLY 30 2.682 5.193 -0.622
213 HA3 GLY 30 HA1 GLY 30 3.351 5.741 -2.146
214 H TYR 31 H TYR 31 1.144 4.743 -3.734
215 HA TYR 31 HA TYR 31 -0.749 6.732 -2.872
216 HB2 TYR 31 HB2 TYR 31 -1.689 6.694 -5.211
217 HB3 TYR 31 HB1 TYR 31 -0.063 7.318 -4.957
218 HD1 TYR 31 HD1 TYR 31 -2.033 4.596 -6.401
219 HD2 TYR 31 HD2 TYR 31 1.833 6.281 -5.964
220 HE1 TYR 31 HE1 TYR 31 -1.225 3.216 -8.229
221 HE2 TYR 31 HE2 TYR 31 2.659 4.917 -7.762
222 HH TYR 31 HH TYR 31 2.135 2.906 -8.963
223 H TYR 32 H TYR 32 -0.648 3.423 -3.734
224 HA TYR 32 HA TYR 32 -3.455 3.026 -3.421
225 HB2 TYR 32 HB2 TYR 32 -1.189 1.054 -3.548
226 HB3 TYR 32 HB1 TYR 32 -2.785 0.510 -3.083
227 HD1 TYR 32 HD1 TYR 32 -0.633 0.882 -5.780
228 HD2 TYR 32 HD2 TYR 32 -4.699 1.422 -4.685
229 HE1 TYR 32 HE1 TYR 32 -1.291 0.722 -8.143
230 HE2 TYR 32 HE2 TYR 32 -5.370 1.263 -7.016
231 HH TYR 32 HH TYR 32 -3.316 0.157 -9.466
232 H CYS 33 H CYS 33 -0.768 2.617 -1.126
233 HA CYS 33 HA CYS 33 -2.797 2.351 0.973
234 HB2 CYS 33 HB2 CYS 33 -0.359 0.600 0.714
235 HB3 CYS 33 HB1 CYS 33 -1.605 0.517 1.956
236 HA PRO 34 HA PRO 34 0.857 5.250 1.889
237 HB2 PRO 34 HB2 PRO 34 -0.599 7.436 2.577
238 HB3 PRO 34 HB1 PRO 34 -0.057 7.109 0.926
239 HG2 PRO 34 HG2 PRO 34 -2.711 6.529 2.187
240 HG3 PRO 34 HG1 PRO 34 -2.382 7.272 0.617
241 HD2 PRO 34 HD2 PRO 34 -3.030 4.703 0.799
242 HD3 PRO 34 HD1 PRO 34 -1.798 5.242 -0.358
243 H VAL 35 H VAL 35 -2.130 4.451 3.441
244 HA VAL 35 HA VAL 35 -1.174 5.385 5.994
245 HB VAL 35 HB VAL 35 -3.778 4.015 5.318
246 HG11 VAL 35 HG11 VAL 35 -2.881 5.414 7.839
247 HG12 VAL 35 HG12 VAL 35 -3.127 3.679 7.661
248 HG13 VAL 35 3HG1 VAL 35 -4.504 4.783 7.540
249 HG21 VAL 35 HG21 VAL 35 -4.699 6.275 5.550
250 HG22 VAL 35 HG22 VAL 35 -3.470 6.154 4.266
251 HG23 VAL 35 HG23 VAL 35 -3.054 6.885 5.803
252 H THR 36 H THR 36 -2.115 2.315 4.544
253 HA THR 36 HA THR 36 -1.520 0.677 6.742
254 HB THR 36 HB THR 36 -1.287 -0.061 3.818
255 HG1 THR 36 HG1 THR 36 -3.363 0.868 4.662
256 HG21 THR 36 HG21 THR 36 -0.316 -1.732 5.325
257 HG22 THR 36 HG22 THR 36 -1.807 -2.324 4.586
258 HG23 THR 36 HG23 THR 36 -1.815 -1.757 6.256
259 H CYS 37 H CYS 37 0.566 1.717 4.078
260 HA CYS 37 HA CYS 37 2.777 0.225 5.124
261 HB2 CYS 37 HB2 CYS 37 2.521 2.100 2.819
262 HB3 CYS 37 HB1 CYS 37 3.991 1.175 3.168
263 H GLY 38 H GLY 38 1.504 3.042 6.141
264 HA2 GLY 38 HA2 GLY 38 2.332 4.486 7.732
265 HA3 GLY 38 HA1 GLY 38 3.839 3.596 7.679
266 H PHE 39 H PHE 39 2.217 5.420 5.094
267 HA PHE 39 HA PHE 39 4.600 7.095 4.786
268 HB2 PHE 39 HB2 PHE 39 2.046 6.864 3.169
269 HB3 PHE 39 HB1 PHE 39 3.322 8.004 2.807
270 HD1 PHE 39 HD1 PHE 39 2.333 4.499 2.801
271 HD2 PHE 39 HD2 PHE 39 5.327 7.305 1.742
272 HE1 PHE 39 HE1 PHE 39 3.428 2.807 1.305
273 HE2 PHE 39 HE2 PHE 39 6.409 5.643 0.292
274 HZ PHE 39 HZ PHE 39 5.451 3.395 0.080
275 HA CYS 40 HA CYS 40 1.547 9.946 6.601
276 HB2 CYS 40 HB2 CYS 40 -0.847 8.105 6.491
277 HB3 CYS 40 HB1 CYS 40 -0.857 9.864 6.606
278 HN1 NH2 41 H1 CYS 40 2.666 9.795 8.551
279 HN2 NH2 41 H2 CYS 40 1.994 9.090 9.972
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 -4.236 17.202 -0.617
2 H2 GLU 1 HT2 GLU 1 -3.241 17.037 -1.977
3 H3 GLU 1 HT3 GLU 1 -2.704 16.554 -0.444
4 HA GLU 1 HA GLU 1 -4.955 15.312 -1.855
5 HB2 GLU 1 HB2 GLU 1 -2.821 14.776 -2.946
6 HB3 GLU 1 HB1 GLU 1 -2.112 14.361 -1.394
7 HG2 GLU 1 HG2 GLU 1 -2.665 12.358 -2.648
8 HG3 GLU 1 HG1 GLU 1 -3.670 12.472 -1.206
9 H HIS 2 H HIS 2 -6.072 13.900 -0.639
10 HA HIS 2 HA HIS 2 -5.386 13.854 2.181
11 HB2 HIS 2 HB2 HIS 2 -7.943 13.034 0.760
12 HB3 HIS 2 HB1 HIS 2 -7.681 12.884 2.493
13 HD1 HIS 2 HD1 HIS 2 -8.264 14.928 3.892
14 HD2 HIS 2 HD2 HIS 2 -7.900 15.773 -0.155
15 HE1 HIS 2 HE1 HIS 2 -8.925 17.336 3.626
16 H CYS 3 H CYS 3 -4.202 12.257 2.807
17 HA CYS 3 HA CYS 3 -3.851 10.027 1.050
18 HB2 CYS 3 HB2 CYS 3 -1.998 9.441 2.635
19 HB3 CYS 3 HB1 CYS 3 -1.849 11.012 1.862
20 H ALA 4 H ALA 4 -5.410 8.581 1.164
21 HA ALA 4 HA ALA 4 -5.853 7.295 3.736
22 HB1 ALA 4 HB1 ALA 4 -8.246 7.074 3.185
23 HB2 ALA 4 HB2 ALA 4 -7.998 8.079 1.756
24 HB3 ALA 4 HB3 ALA 4 -7.764 8.760 3.365
25 H ASP 5 H ASP 5 -5.998 5.141 3.566
26 HA ASP 5 HA ASP 5 -4.873 3.779 1.402
27 HB2 ASP 5 HB2 ASP 5 -6.841 2.578 3.358
28 HB3 ASP 5 HB1 ASP 5 -5.594 1.734 2.453
29 H GLU 6 H GLU 6 -5.612 3.012 -0.441
30 HA GLU 6 HA GLU 6 -7.992 3.947 -1.533
31 HB2 GLU 6 HB2 GLU 6 -5.978 3.468 -2.829
32 HB3 GLU 6 HB1 GLU 6 -6.121 1.762 -2.454
33 HG2 GLU 6 HG2 GLU 6 -6.848 2.278 -4.705
34 HG3 GLU 6 HG1 GLU 6 -8.161 1.627 -3.718
35 H LYS 7 H LYS 7 -9.890 2.969 -1.992
36 HA LYS 7 HA LYS 7 -10.578 0.877 -0.114
37 HB2 LYS 7 HB2 LYS 7 -12.913 1.389 -0.645
38 HB3 LYS 7 HB1 LYS 7 -11.988 2.767 -0.068
39 HG2 LYS 7 HG2 LYS 7 -11.755 3.542 -2.384
40 HG3 LYS 7 HG1 LYS 7 -12.739 2.172 -2.905
41 HD2 LYS 7 HD2 LYS 7 -14.160 4.100 -2.731
42 HD3 LYS 7 HD1 LYS 7 -14.513 2.942 -1.430
43 HE2 LYS 7 HE2 LYS 7 -13.287 4.268 0.163
44 HE3 LYS 7 HE1 LYS 7 -12.757 5.367 -1.109
45 HZ1 LYS 7 HZ1 LYS 7 -15.555 4.991 -0.178
46 HZ2 LYS 7 HZ2 LYS 7 -15.056 6.027 -1.415
47 HZ3 LYS 7 HZ3 LYS 7 -14.546 6.304 0.144
48 H ASN 8 H ASN 8 -10.191 1.201 -3.451
49 HA ASN 8 HA ASN 8 -11.422 -1.437 -3.862
50 HB2 ASN 8 HB2 ASN 8 -11.121 -1.160 -6.288
51 HB3 ASN 8 HB1 ASN 8 -11.959 0.221 -5.608
52 HD21 ASN 8 HD21 ASN 8 -11.052 2.196 -5.784
53 HD22 ASN 8 HD22 ASN 8 -9.600 2.517 -6.651
54 H PHE 9 H PHE 9 -8.740 -0.559 -2.665
55 HA PHE 9 HA PHE 9 -7.061 -2.685 -3.866
56 HB2 PHE 9 HB2 PHE 9 -6.288 -0.244 -4.029
57 HB3 PHE 9 HB1 PHE 9 -6.171 -0.301 -2.271
58 HD1 PHE 9 HD1 PHE 9 -5.046 -1.949 -5.327
59 HD2 PHE 9 HD2 PHE 9 -4.278 -1.162 -1.249
60 HE1 PHE 9 HE1 PHE 9 -2.884 -2.967 -5.571
61 HE2 PHE 9 HE2 PHE 9 -2.064 -2.182 -1.458
62 HZ PHE 9 HZ PHE 9 -1.334 -3.089 -3.622
63 H ASP 10 H ASP 10 -6.411 -4.216 -2.358
64 HA ASP 10 HA ASP 10 -7.530 -3.823 0.317
65 HB2 ASP 10 HB2 ASP 10 -7.937 -5.989 -0.964
66 HB3 ASP 10 HB1 ASP 10 -6.239 -6.359 -0.668
67 H CYS 11 H CYS 11 -6.250 -2.760 1.547
68 HA CYS 11 HA CYS 11 -3.426 -2.772 1.248
69 HB2 CYS 11 HB2 CYS 11 -5.165 -1.559 3.377
70 HB3 CYS 11 HB1 CYS 11 -3.435 -1.280 3.200
71 H ARG 12 H ARG 12 -5.629 -4.562 3.259
72 HA ARG 12 HA ARG 12 -3.679 -5.126 5.290
73 HB2 ARG 12 HB2 ARG 12 -6.195 -6.687 4.699
74 HB3 ARG 12 HB1 ARG 12 -5.267 -6.732 6.183
75 HG2 ARG 12 HG2 ARG 12 -7.060 -4.568 5.141
76 HG3 ARG 12 HG1 ARG 12 -7.168 -5.474 6.644
77 HD2 ARG 12 HD2 ARG 12 -5.160 -3.338 5.916
78 HD3 ARG 12 HD1 ARG 12 -6.413 -3.240 7.145
79 HE ARG 12 HE ARG 12 -4.730 -5.372 7.782
80 HH11 ARG 12 HH11 ARG 12 -4.622 -1.835 7.634
81 HH12 ARG 12 HH12 ARG 12 -3.349 -1.701 8.762
82 HH21 ARG 12 HH21 ARG 12 -2.982 -5.180 9.256
83 HH22 ARG 12 HH22 ARG 12 -2.356 -3.655 9.690
84 H ARG 13 H ARG 13 -5.068 -6.851 2.596
85 HA ARG 13 HA ARG 13 -3.639 -9.247 2.729
86 HB2 ARG 13 HB2 ARG 13 -5.544 -8.789 1.207
87 HB3 ARG 13 HB1 ARG 13 -4.493 -7.750 0.260
88 HG2 ARG 13 HG2 ARG 13 -2.999 -9.805 0.000
89 HG3 ARG 13 HG1 ARG 13 -4.400 -10.717 0.575
90 HD2 ARG 13 HD2 ARG 13 -4.450 -10.681 -1.820
91 HD3 ARG 13 HD1 ARG 13 -5.745 -9.648 -1.201
92 HE ARG 13 HE ARG 13 -3.177 -8.499 -1.990
93 HH11 ARG 13 HH11 ARG 13 -6.701 -8.658 -2.423
94 HH12 ARG 13 HH12 ARG 13 -6.744 -7.350 -3.512
95 HH21 ARG 13 HH21 ARG 13 -3.252 -6.714 -3.472
96 HH22 ARG 13 HH22 ARG 13 -4.742 -6.230 -4.132
97 H SER 14 H SER 14 -2.960 -6.280 0.901
98 HA SER 14 HA SER 14 -0.590 -7.111 -0.268
99 HB2 SER 14 HB2 SER 14 -1.479 -4.321 0.469
100 HB3 SER 14 HB1 SER 14 -0.231 -4.708 -0.715
101 HG SER 14 HG SER 14 -2.991 -4.915 -0.898
102 H LEU 15 H LEU 15 -1.157 -5.641 2.879
103 HA LEU 15 HA LEU 15 1.561 -5.179 3.495
104 HB2 LEU 15 HB2 LEU 15 -0.363 -4.079 4.607
105 HB3 LEU 15 HB1 LEU 15 -0.777 -5.610 5.349
106 HG LEU 15 HG LEU 15 1.409 -5.581 6.519
107 HD11 LEU 15 HD11 LEU 15 2.656 -3.479 6.613
108 HD12 LEU 15 HD12 LEU 15 1.590 -2.798 5.379
109 HD13 LEU 15 HD13 LEU 15 2.627 -4.174 4.993
110 HD21 LEU 15 HD21 LEU 15 -0.380 -3.205 6.985
111 HD22 LEU 15 HD22 LEU 15 0.772 -3.870 8.142
112 HD23 LEU 15 HD23 LEU 15 -0.616 -4.832 7.622
113 H ARG 16 H ARG 16 -0.723 -7.816 4.279
114 HA ARG 16 HA ARG 16 1.034 -9.361 5.789
115 HB2 ARG 16 HB2 ARG 16 -1.561 -9.287 5.533
116 HB3 ARG 16 HB1 ARG 16 -1.288 -10.398 4.205
117 HG2 ARG 16 HG2 ARG 16 -0.361 -10.832 6.998
118 HG3 ARG 16 HG1 ARG 16 -1.904 -11.418 6.374
119 HD2 ARG 16 HD2 ARG 16 0.833 -12.168 5.315
120 HD3 ARG 16 HD1 ARG 16 -0.139 -13.182 6.381
121 HE ARG 16 HE ARG 16 -1.818 -12.838 4.400
122 HH11 ARG 16 HH11 ARG 16 1.629 -13.632 4.267
123 HH12 ARG 16 HH12 ARG 16 1.555 -14.512 2.822
124 HH21 ARG 16 HH21 ARG 16 -1.975 -14.105 2.449
125 HH22 ARG 16 HH22 ARG 16 -0.592 -14.808 1.752
126 H ASN 17 H ASN 17 0.243 -9.206 2.384
127 HA ASN 17 HA ASN 17 1.518 -11.634 1.581
128 HB2 ASN 17 HB2 ASN 17 0.561 -9.239 0.040
129 HB3 ASN 17 HB1 ASN 17 1.503 -10.485 -0.752
130 HD21 ASN 17 HD21 ASN 17 -0.783 -11.274 1.774
131 HD22 ASN 17 HD22 ASN 17 -1.944 -12.009 0.724
132 H GLY 18 H GLY 18 2.566 -8.293 1.691
133 HA2 GLY 18 HA2 GLY 18 4.973 -8.072 2.278
134 HA3 GLY 18 HA1 GLY 18 5.261 -9.294 1.051
135 H ASP 19 H ASP 19 2.806 -7.254 0.092
136 HA ASP 19 HA ASP 19 4.277 -6.186 -2.071
137 HB2 ASP 19 HB2 ASP 19 1.577 -5.481 -0.943
138 HB3 ASP 19 HB1 ASP 19 2.221 -4.740 -2.402
139 H CYS 20 H CYS 20 3.610 -5.057 1.121
140 HA CYS 20 HA CYS 20 4.525 -2.361 0.474
141 HB2 CYS 20 HB2 CYS 20 2.490 -2.616 1.867
142 HB3 CYS 20 HB1 CYS 20 3.415 -3.500 3.062
143 H ASP 21 H ASP 21 5.933 -5.205 1.152
144 HA ASP 21 HA ASP 21 8.178 -3.929 2.597
145 HB2 ASP 21 HB2 ASP 21 7.170 -5.882 3.740
146 HB3 ASP 21 HB1 ASP 21 7.455 -6.859 2.310
147 H ASN 22 H ASN 22 7.089 -5.023 -0.322
148 HA ASN 22 HA ASN 22 9.630 -5.892 -1.372
149 HB2 ASN 22 HB2 ASN 22 7.584 -7.068 -1.999
150 HB3 ASN 22 HB1 ASN 22 6.923 -5.585 -2.673
151 HD21 ASN 22 HD21 ASN 22 7.600 -4.917 -4.638
152 HD22 ASN 22 HD22 ASN 22 8.616 -5.856 -5.672
153 H ASP 23 H ASP 23 11.024 -4.553 -2.194
154 HA ASP 23 HA ASP 23 10.861 -1.801 -2.019
155 HB2 ASP 23 HB2 ASP 23 12.966 -3.090 -2.111
156 HB3 ASP 23 HB1 ASP 23 12.720 -3.319 -3.839
157 H ASP 24 H ASP 24 10.413 -3.718 -4.949
158 HA ASP 24 HA ASP 24 10.207 -1.357 -6.536
159 HB2 ASP 24 HB2 ASP 24 9.613 -2.757 -8.446
160 HB3 ASP 24 HB1 ASP 24 11.003 -3.408 -7.597
161 H LYS 25 H LYS 25 7.916 -2.709 -4.466
162 HA LYS 25 HA LYS 25 5.714 -1.550 -6.009
163 HB2 LYS 25 HB2 LYS 25 5.813 -3.445 -3.694
164 HB3 LYS 25 HB1 LYS 25 4.335 -2.746 -4.329
165 HG2 LYS 25 HG2 LYS 25 4.596 -3.890 -6.392
166 HG3 LYS 25 HG1 LYS 25 6.227 -4.419 -5.954
167 HD2 LYS 25 HD2 LYS 25 5.449 -5.779 -4.243
168 HD3 LYS 25 HD1 LYS 25 3.852 -5.042 -4.290
169 HE2 LYS 25 HE2 LYS 25 3.464 -6.081 -6.492
170 HE3 LYS 25 HE1 LYS 25 5.093 -6.750 -6.469
171 HZ1 LYS 25 HZ1 LYS 25 2.900 -7.422 -4.582
172 HZ2 LYS 25 HZ2 LYS 25 4.466 -8.073 -4.531
173 HZ3 LYS 25 HZ3 LYS 25 3.467 -8.416 -5.826
174 H LEU 26 H LEU 26 7.841 -0.777 -3.572
175 HA LEU 26 HA LEU 26 6.323 0.193 -1.486
176 HB2 LEU 26 HB2 LEU 26 9.000 1.124 -2.477
177 HB3 LEU 26 HB1 LEU 26 8.272 1.711 -0.990
178 HG LEU 26 HG LEU 26 9.027 -1.136 -1.602
179 HD11 LEU 26 HD11 LEU 26 10.963 0.312 -1.324
180 HD12 LEU 26 HD12 LEU 26 10.787 -0.761 0.067
181 HD13 LEU 26 HD13 LEU 26 10.297 0.930 0.187
182 HD21 LEU 26 HD21 LEU 26 7.144 -1.043 -0.085
183 HD22 LEU 26 HD22 LEU 26 7.978 0.145 0.911
184 HD23 LEU 26 HD23 LEU 26 8.602 -1.499 0.795
185 H LEU 27 H LEU 27 7.456 2.190 -4.286
186 HA LEU 27 HA LEU 27 6.362 4.547 -3.468
187 HB2 LEU 27 HB2 LEU 27 7.977 3.916 -5.334
188 HB3 LEU 27 HB1 LEU 27 6.565 3.522 -6.272
189 HG LEU 27 HG LEU 27 7.681 5.610 -6.728
190 HD11 LEU 27 HD11 LEU 27 5.365 5.336 -7.454
191 HD12 LEU 27 HD12 LEU 27 5.577 7.003 -6.904
192 HD13 LEU 27 HD13 LEU 27 4.787 5.821 -5.861
193 HD21 LEU 27 HD21 LEU 27 7.276 7.576 -5.291
194 HD22 LEU 27 HD22 LEU 27 8.259 6.327 -4.517
195 HD23 LEU 27 HD23 LEU 27 6.557 6.506 -4.092
196 H GLU 28 H GLU 28 4.957 1.857 -5.300
197 HA GLU 28 HA GLU 28 2.491 3.049 -5.974
198 HB2 GLU 28 HB2 GLU 28 3.151 0.134 -5.529
199 HB3 GLU 28 HB1 GLU 28 1.686 0.734 -6.288
200 HG2 GLU 28 HG2 GLU 28 3.030 1.696 -8.093
201 HG3 GLU 28 HG1 GLU 28 4.487 1.063 -7.327
202 H MET 29 H MET 29 3.644 1.316 -3.195
203 HA MET 29 HA MET 29 1.095 1.015 -1.982
204 HB2 MET 29 HB2 MET 29 3.901 0.667 -0.978
205 HB3 MET 29 HB1 MET 29 2.501 0.387 0.053
206 HG2 MET 29 HG2 MET 29 3.259 -1.066 -2.473
207 HG3 MET 29 HG1 MET 29 3.280 -1.706 -0.834
208 HE1 MET 29 HE1 MET 29 0.991 -1.859 0.652
209 HE2 MET 29 HE2 MET 29 -0.616 -1.567 -0.028
210 HE3 MET 29 3HE MET 29 0.541 -0.239 0.124
211 H GLY 30 H GLY 30 3.485 3.396 -2.071
212 HA2 GLY 30 HA2 GLY 30 2.745 4.854 0.244
213 HA3 GLY 30 HA1 GLY 30 3.664 5.515 -1.088
214 H TYR 31 H TYR 31 1.409 4.744 -2.958
215 HA TYR 31 HA TYR 31 -0.329 6.874 -2.084
216 HB2 TYR 31 HB2 TYR 31 -1.208 7.022 -4.466
217 HB3 TYR 31 HB1 TYR 31 0.422 7.562 -4.113
218 HD1 TYR 31 HD1 TYR 31 -1.505 4.788 -5.630
219 HD2 TYR 31 HD2 TYR 31 2.224 6.761 -5.261
220 HE1 TYR 31 HE1 TYR 31 -0.648 3.508 -7.517
221 HE2 TYR 31 HE2 TYR 31 3.118 5.495 -7.109
222 HH TYR 31 HH TYR 31 2.738 3.566 -8.411
223 H TYR 32 H TYR 32 -0.449 3.647 -3.158
224 HA TYR 32 HA TYR 32 -3.251 3.398 -3.008
225 HB2 TYR 32 HB2 TYR 32 -1.070 1.360 -2.983
226 HB3 TYR 32 HB1 TYR 32 -2.705 0.871 -2.569
227 HD1 TYR 32 HD1 TYR 32 -0.448 1.142 -5.202
228 HD2 TYR 32 HD2 TYR 32 -4.527 1.825 -4.247
229 HE1 TYR 32 HE1 TYR 32 -1.036 0.960 -7.583
230 HE2 TYR 32 HE2 TYR 32 -5.127 1.645 -6.608
231 HH TYR 32 HH TYR 32 -4.061 1.926 -8.752
232 H CYS 33 H CYS 33 -0.802 2.720 -0.492
233 HA CYS 33 HA CYS 33 -3.032 2.883 1.375
234 HB2 CYS 33 HB2 CYS 33 -0.902 0.755 1.546
235 HB3 CYS 33 HB1 CYS 33 -2.296 0.976 2.602
236 HA PRO 34 HA PRO 34 0.624 5.485 2.500
237 HB2 PRO 34 HB2 PRO 34 -0.771 7.698 3.164
238 HB3 PRO 34 HB1 PRO 34 -0.310 7.324 1.495
239 HG2 PRO 34 HG2 PRO 34 -2.906 6.797 2.889
240 HG3 PRO 34 HG1 PRO 34 -2.645 7.542 1.308
241 HD2 PRO 34 HD2 PRO 34 -3.312 4.989 1.536
242 HD3 PRO 34 HD1 PRO 34 -2.146 5.509 0.299
243 H VAL 35 H VAL 35 -2.372 4.694 4.082
244 HA VAL 35 HA VAL 35 -1.335 5.643 6.586
245 HB VAL 35 HB VAL 35 -3.986 4.311 6.010
246 HG11 VAL 35 HG11 VAL 35 -2.998 5.739 8.479
247 HG12 VAL 35 HG12 VAL 35 -3.290 4.006 8.342
248 HG13 VAL 35 3HG1 VAL 35 -4.644 5.141 8.232
249 HG21 VAL 35 HG21 VAL 35 -4.871 6.593 6.180
250 HG22 VAL 35 HG22 VAL 35 -3.642 6.445 4.904
251 HG23 VAL 35 HG23 VAL 35 -3.222 7.185 6.436
252 H THR 36 H THR 36 -2.295 2.613 5.123
253 HA THR 36 HA THR 36 -1.642 0.856 7.210
254 HB THR 36 HB THR 36 -1.420 0.289 4.253
255 HG1 THR 36 HG1 THR 36 -3.426 1.249 4.690
256 HG21 THR 36 HG21 THR 36 -2.143 -1.482 6.597
257 HG22 THR 36 HG22 THR 36 -0.620 -1.511 5.708
258 HG23 THR 36 HG23 THR 36 -2.117 -1.981 4.905
259 H CYS 37 H CYS 37 0.359 2.195 4.607
260 HA CYS 37 HA CYS 37 2.623 0.695 5.562
261 HB2 CYS 37 HB2 CYS 37 2.200 2.400 3.137
262 HB3 CYS 37 HB1 CYS 37 3.777 1.714 3.552
263 H GLY 38 H GLY 38 1.311 3.268 6.786
264 HA2 GLY 38 HA2 GLY 38 2.106 4.692 8.392
265 HA3 GLY 38 HA1 GLY 38 3.653 3.899 8.228
266 H PHE 39 H PHE 39 1.874 5.834 5.848
267 HA PHE 39 HA PHE 39 4.140 7.698 5.784
268 HB2 PHE 39 HB2 PHE 39 1.793 7.369 3.887
269 HB3 PHE 39 HB1 PHE 39 3.050 8.584 3.709
270 HD1 PHE 39 HD1 PHE 39 2.239 5.045 3.471
271 HD2 PHE 39 HD2 PHE 39 5.228 7.993 2.937
272 HE1 PHE 39 HE1 PHE 39 3.613 3.432 2.161
273 HE2 PHE 39 HE2 PHE 39 6.601 6.410 1.650
274 HZ PHE 39 HZ PHE 39 5.787 4.124 1.263
275 HA CYS 40 HA CYS 40 0.797 10.095 7.614
276 HB2 CYS 40 HB2 CYS 40 -1.536 8.717 6.251
277 HB3 CYS 40 HB1 CYS 40 -1.586 10.297 7.030
278 HN1 NH2 41 H1 CYS 40 1.300 9.303 9.610
279 HN2 NH2 41 H2 CYS 40 0.250 8.305 10.551
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 -7.109 15.814 -0.700
2 H2 GLU 1 HT2 GLU 1 -6.104 14.992 -1.757
3 H3 GLU 1 HT3 GLU 1 -6.356 16.653 -1.962
4 HA GLU 1 HA GLU 1 -4.195 16.215 -1.035
5 HB2 GLU 1 HB2 GLU 1 -5.411 18.264 -0.230
6 HB3 GLU 1 HB1 GLU 1 -6.046 17.246 1.074
7 HG2 GLU 1 HG2 GLU 1 -4.192 18.648 1.850
8 HG3 GLU 1 HG1 GLU 1 -3.878 16.919 2.000
9 H HIS 2 H HIS 2 -6.679 15.353 1.386
10 HA HIS 2 HA HIS 2 -5.025 14.201 3.207
11 HB2 HIS 2 HB2 HIS 2 -7.399 14.829 3.583
12 HB3 HIS 2 HB1 HIS 2 -7.893 13.411 2.668
13 HD1 HIS 2 HD1 HIS 2 -6.856 14.501 6.043
14 HD2 HIS 2 HD2 HIS 2 -7.329 10.926 3.990
15 HE1 HIS 2 HE1 HIS 2 -6.875 12.698 7.788
16 H CYS 3 H CYS 3 -3.723 12.725 2.937
17 HA CYS 3 HA CYS 3 -3.975 10.656 1.011
18 HB2 CYS 3 HB2 CYS 3 -1.816 9.801 2.067
19 HB3 CYS 3 HB1 CYS 3 -1.773 11.414 1.364
20 H ALA 4 H ALA 4 -5.249 9.013 1.197
21 HA ALA 4 HA ALA 4 -5.422 7.552 3.724
22 HB1 ALA 4 HB1 ALA 4 -7.827 7.194 3.259
23 HB2 ALA 4 HB2 ALA 4 -7.710 8.322 1.906
24 HB3 ALA 4 HB3 ALA 4 -7.445 8.888 3.556
25 H ASP 5 H ASP 5 -6.127 5.301 3.322
26 HA ASP 5 HA ASP 5 -4.749 4.137 1.072
27 HB2 ASP 5 HB2 ASP 5 -6.796 2.723 2.762
28 HB3 ASP 5 HB1 ASP 5 -5.431 2.023 1.909
29 H GLU 6 H GLU 6 -5.602 3.051 -0.668
30 HA GLU 6 HA GLU 6 -7.948 4.257 -1.759
31 HB2 GLU 6 HB2 GLU 6 -5.707 3.239 -2.852
32 HB3 GLU 6 HB1 GLU 6 -6.729 1.822 -2.985
33 HG2 GLU 6 HG2 GLU 6 -7.313 4.538 -4.158
34 HG3 GLU 6 HG1 GLU 6 -6.715 3.134 -5.034
35 H LYS 7 H LYS 7 -9.841 3.059 -2.438
36 HA LYS 7 HA LYS 7 -10.751 1.420 -0.242
37 HB2 LYS 7 HB2 LYS 7 -12.958 1.801 -1.069
38 HB3 LYS 7 HB1 LYS 7 -12.069 3.314 -1.064
39 HG2 LYS 7 HG2 LYS 7 -11.623 2.894 -3.526
40 HG3 LYS 7 HG1 LYS 7 -12.819 1.607 -3.422
41 HD2 LYS 7 HD2 LYS 7 -14.031 3.468 -4.160
42 HD3 LYS 7 HD1 LYS 7 -14.330 3.349 -2.414
43 HE2 LYS 7 HE2 LYS 7 -13.890 5.670 -3.052
44 HE3 LYS 7 HE1 LYS 7 -12.642 5.051 -1.978
45 HZ1 LYS 7 HZ1 LYS 7 -11.204 4.698 -3.948
46 HZ2 LYS 7 HZ2 LYS 7 -11.692 6.302 -3.779
47 HZ3 LYS 7 HZ3 LYS 7 -12.435 5.329 -4.924
48 H ASN 8 H ASN 8 -10.093 1.017 -3.569
49 HA ASN 8 HA ASN 8 -11.408 -1.593 -3.736
50 HB2 ASN 8 HB2 ASN 8 -9.623 -0.274 -5.789
51 HB3 ASN 8 HB1 ASN 8 -10.632 -1.686 -6.047
52 HD21 ASN 8 HD21 ASN 8 -10.501 1.723 -5.763
53 HD22 ASN 8 HD22 ASN 8 -12.109 2.045 -6.312
54 H PHE 9 H PHE 9 -8.323 -0.209 -3.375
55 HA PHE 9 HA PHE 9 -6.782 -2.575 -3.913
56 HB2 PHE 9 HB2 PHE 9 -6.069 -0.110 -4.091
57 HB3 PHE 9 HB1 PHE 9 -5.890 -0.183 -2.337
58 HD1 PHE 9 HD1 PHE 9 -3.988 -1.132 -1.380
59 HD2 PHE 9 HD2 PHE 9 -4.846 -1.738 -5.477
60 HE1 PHE 9 HE1 PHE 9 -1.790 -2.166 -1.680
61 HE2 PHE 9 HE2 PHE 9 -2.696 -2.765 -5.807
62 HZ PHE 9 HZ PHE 9 -1.111 -2.979 -3.891
63 H ASP 10 H ASP 10 -6.384 -4.157 -2.505
64 HA ASP 10 HA ASP 10 -7.472 -3.909 0.186
65 HB2 ASP 10 HB2 ASP 10 -7.761 -5.971 -1.306
66 HB3 ASP 10 HB1 ASP 10 -6.079 -6.333 -0.933
67 H CYS 11 H CYS 11 -6.164 -2.824 1.466
68 HA CYS 11 HA CYS 11 -3.332 -2.932 1.165
69 HB2 CYS 11 HB2 CYS 11 -5.045 -1.606 3.254
70 HB3 CYS 11 HB1 CYS 11 -3.310 -1.378 3.067
71 H ARG 12 H ARG 12 -5.707 -4.474 3.160
72 HA ARG 12 HA ARG 12 -4.026 -5.350 5.270
73 HB2 ARG 12 HB2 ARG 12 -6.486 -6.708 4.134
74 HB3 ARG 12 HB1 ARG 12 -5.718 -7.122 5.656
75 HG2 ARG 12 HG2 ARG 12 -7.064 -4.515 4.985
76 HG3 ARG 12 HG1 ARG 12 -7.690 -5.781 6.034
77 HD2 ARG 12 HD2 ARG 12 -5.814 -5.456 7.558
78 HD3 ARG 12 HD1 ARG 12 -5.163 -4.209 6.498
79 HE ARG 12 HE ARG 12 -7.814 -3.616 7.247
80 HH11 ARG 12 HH11 ARG 12 -4.513 -3.603 8.469
81 HH12 ARG 12 HH12 ARG 12 -4.743 -2.315 9.557
82 HH21 ARG 12 HH21 ARG 12 -8.179 -1.876 8.762
83 HH22 ARG 12 HH22 ARG 12 -6.911 -1.308 9.738
84 H ARG 13 H ARG 13 -5.049 -6.944 2.308
85 HA ARG 13 HA ARG 13 -3.527 -9.295 2.474
86 HB2 ARG 13 HB2 ARG 13 -5.337 -8.839 0.827
87 HB3 ARG 13 HB1 ARG 13 -4.277 -7.694 0.029
88 HG2 ARG 13 HG2 ARG 13 -2.683 -9.616 -0.336
89 HG3 ARG 13 HG1 ARG 13 -3.990 -10.676 0.200
90 HD2 ARG 13 HD2 ARG 13 -4.067 -8.750 -2.104
91 HD3 ARG 13 HD1 ARG 13 -3.971 -10.510 -2.215
92 HE ARG 13 HE ARG 13 -6.209 -10.309 -0.897
93 HH11 ARG 13 HH11 ARG 13 -5.193 -8.216 -3.567
94 HH12 ARG 13 HH12 ARG 13 -6.775 -7.954 -4.142
95 HH21 ARG 13 HH21 ARG 13 -8.377 -9.914 -1.705
96 HH22 ARG 13 HH22 ARG 13 -8.628 -8.918 -3.070
97 H SER 14 H SER 14 -2.868 -6.257 0.834
98 HA SER 14 HA SER 14 -0.401 -7.037 -0.195
99 HB2 SER 14 HB2 SER 14 -1.424 -4.245 0.312
100 HB3 SER 14 HB1 SER 14 -0.153 -4.699 -0.830
101 HG SER 14 HG SER 14 -2.894 -4.984 -0.989
102 H LEU 15 H LEU 15 -1.152 -5.443 2.876
103 HA LEU 15 HA LEU 15 1.551 -4.898 3.511
104 HB2 LEU 15 HB2 LEU 15 -0.361 -3.801 4.626
105 HB3 LEU 15 HB1 LEU 15 -0.783 -5.329 5.372
106 HG LEU 15 HG LEU 15 1.437 -5.310 6.506
107 HD11 LEU 15 HD11 LEU 15 2.619 -3.850 5.022
108 HD12 LEU 15 HD12 LEU 15 2.642 -3.198 6.661
109 HD13 LEU 15 HD13 LEU 15 1.564 -2.503 5.447
110 HD21 LEU 15 HD21 LEU 15 -0.577 -4.644 7.657
111 HD22 LEU 15 HD22 LEU 15 -0.384 -2.984 7.083
112 HD23 LEU 15 HD23 LEU 15 0.799 -3.684 8.193
113 H ARG 16 H ARG 16 -0.651 -7.561 4.324
114 HA ARG 16 HA ARG 16 1.250 -8.956 5.916
115 HB2 ARG 16 HB2 ARG 16 -1.393 -9.780 4.723
116 HB3 ARG 16 HB1 ARG 16 -0.428 -10.819 5.761
117 HG2 ARG 16 HG2 ARG 16 -0.674 -9.323 7.612
118 HG3 ARG 16 HG1 ARG 16 -1.444 -8.110 6.588
119 HD2 ARG 16 HD2 ARG 16 -3.056 -9.380 7.983
120 HD3 ARG 16 HD1 ARG 16 -3.363 -9.529 6.257
121 HE ARG 16 HE ARG 16 -1.797 -11.679 6.865
122 HH11 ARG 16 HH11 ARG 16 -4.879 -10.513 8.211
123 HH12 ARG 16 HH12 ARG 16 -5.492 -12.090 8.447
124 HH21 ARG 16 HH21 ARG 16 -2.658 -13.784 7.232
125 HH22 ARG 16 HH22 ARG 16 -4.243 -13.970 7.875
126 H ASN 17 H ASN 17 0.398 -9.027 2.542
127 HA ASN 17 HA ASN 17 1.678 -11.517 1.949
128 HB2 ASN 17 HB2 ASN 17 0.691 -9.288 0.191
129 HB3 ASN 17 HB1 ASN 17 1.663 -10.589 -0.469
130 HD21 ASN 17 HD21 ASN 17 -0.658 -11.094 2.099
131 HD22 ASN 17 HD22 ASN 17 -1.781 -11.984 1.142
132 H GLY 18 H GLY 18 2.719 -8.215 2.012
133 HA2 GLY 18 HA2 GLY 18 5.121 -8.005 2.580
134 HA3 GLY 18 HA1 GLY 18 5.399 -9.247 1.380
135 H ASP 19 H ASP 19 2.973 -7.146 0.367
136 HA ASP 19 HA ASP 19 4.454 -6.193 -1.855
137 HB2 ASP 19 HB2 ASP 19 1.839 -5.237 -0.703
138 HB3 ASP 19 HB1 ASP 19 2.492 -4.711 -2.248
139 H CYS 20 H CYS 20 3.695 -4.883 1.250
140 HA CYS 20 HA CYS 20 4.551 -2.224 0.534
141 HB2 CYS 20 HB2 CYS 20 2.698 -2.665 2.154
142 HB3 CYS 20 HB1 CYS 20 3.871 -3.359 3.256
143 H ASP 21 H ASP 21 6.048 -5.074 1.484
144 HA ASP 21 HA ASP 21 8.440 -3.609 2.368
145 HB2 ASP 21 HB2 ASP 21 7.616 -5.353 3.930
146 HB3 ASP 21 HB1 ASP 21 7.765 -6.555 2.656
147 H ASN 22 H ASN 22 7.082 -4.712 -0.302
148 HA ASN 22 HA ASN 22 9.390 -5.985 -1.534
149 HB2 ASN 22 HB2 ASN 22 7.063 -6.791 -1.995
150 HB3 ASN 22 HB1 ASN 22 6.704 -5.236 -2.717
151 HD21 ASN 22 HD21 ASN 22 6.608 -7.912 -3.820
152 HD22 ASN 22 HD22 ASN 22 7.614 -7.908 -5.219
153 H ASP 23 H ASP 23 10.890 -4.815 -2.417
154 HA ASP 23 HA ASP 23 10.981 -2.048 -2.491
155 HB2 ASP 23 HB2 ASP 23 12.611 -4.081 -3.993
156 HB3 ASP 23 HB1 ASP 23 12.923 -2.355 -4.103
157 H ASP 24 H ASP 24 10.146 -4.250 -5.095
158 HA ASP 24 HA ASP 24 9.995 -2.292 -7.135
159 HB2 ASP 24 HB2 ASP 24 10.209 -4.599 -7.763
160 HB3 ASP 24 HB1 ASP 24 8.734 -5.025 -6.909
161 H LYS 25 H LYS 25 7.699 -3.316 -4.724
162 HA LYS 25 HA LYS 25 5.538 -1.919 -6.084
163 HB2 LYS 25 HB2 LYS 25 5.589 -3.689 -3.673
164 HB3 LYS 25 HB1 LYS 25 4.149 -2.981 -4.385
165 HG2 LYS 25 HG2 LYS 25 4.426 -4.238 -6.387
166 HG3 LYS 25 HG1 LYS 25 6.015 -4.808 -5.864
167 HD2 LYS 25 HD2 LYS 25 5.102 -6.031 -4.114
168 HD3 LYS 25 HD1 LYS 25 3.517 -5.288 -4.326
169 HE2 LYS 25 HE2 LYS 25 3.336 -6.382 -6.544
170 HE3 LYS 25 HE1 LYS 25 4.914 -7.123 -6.286
171 HZ1 LYS 25 HZ1 LYS 25 2.941 -8.570 -5.819
172 HZ2 LYS 25 HZ2 LYS 25 2.618 -7.582 -4.479
173 HZ3 LYS 25 HZ3 LYS 25 4.055 -8.454 -4.566
174 H LEU 26 H LEU 26 7.881 -1.186 -3.837
175 HA LEU 26 HA LEU 26 6.642 0.032 -1.702
176 HB2 LEU 26 HB2 LEU 26 9.164 0.849 -3.095
177 HB3 LEU 26 HB1 LEU 26 8.617 1.613 -1.614
178 HG LEU 26 HG LEU 26 9.322 -1.284 -1.965
179 HD11 LEU 26 HD11 LEU 26 11.272 0.202 -2.094
180 HD12 LEU 26 HD12 LEU 26 11.287 -0.713 -0.584
181 HD13 LEU 26 HD13 LEU 26 10.786 0.978 -0.588
182 HD21 LEU 26 HD21 LEU 26 8.605 0.287 0.500
183 HD22 LEU 26 HD22 LEU 26 9.181 -1.380 0.475
184 HD23 LEU 26 HD23 LEU 26 7.633 -0.973 -0.260
185 H LEU 27 H LEU 27 7.494 1.782 -4.749
186 HA LEU 27 HA LEU 27 6.575 4.231 -3.988
187 HB2 LEU 27 HB2 LEU 27 7.984 3.416 -5.932
188 HB3 LEU 27 HB1 LEU 27 6.484 3.004 -6.719
189 HG LEU 27 HG LEU 27 7.594 4.998 -7.454
190 HD11 LEU 27 HD11 LEU 27 5.176 4.785 -7.855
191 HD12 LEU 27 HD12 LEU 27 5.572 6.477 -7.551
192 HD13 LEU 27 HD13 LEU 27 4.848 5.499 -6.274
193 HD21 LEU 27 HD21 LEU 27 8.486 5.852 -5.413
194 HD22 LEU 27 HD22 LEU 27 6.864 6.127 -4.775
195 HD23 LEU 27 HD23 LEU 27 7.451 7.089 -6.131
196 H GLU 28 H GLU 28 4.957 1.533 -5.561
197 HA GLU 28 HA GLU 28 2.477 2.717 -6.192
198 HB2 GLU 28 HB2 GLU 28 3.076 -0.165 -5.512
199 HB3 GLU 28 HB1 GLU 28 1.667 0.423 -6.379
200 HG2 GLU 28 HG2 GLU 28 4.505 0.643 -7.338
201 HG3 GLU 28 HG1 GLU 28 3.356 -0.591 -7.845
202 H MET 29 H MET 29 3.740 1.147 -3.361
203 HA MET 29 HA MET 29 1.212 0.789 -2.096
204 HB2 MET 29 HB2 MET 29 4.042 0.416 -1.188
205 HB3 MET 29 HB1 MET 29 2.686 0.170 -0.091
206 HG2 MET 29 HG2 MET 29 3.263 -1.299 -2.657
207 HG3 MET 29 HG1 MET 29 3.408 -1.946 -1.028
208 HE1 MET 29 HE1 MET 29 1.244 -2.061 0.635
209 HE2 MET 29 HE2 MET 29 -0.411 -1.770 0.081
210 HE3 MET 29 3HE MET 29 0.751 -0.440 0.142
211 H GLY 30 H GLY 30 3.569 3.206 -2.185
212 HA2 GLY 30 HA2 GLY 30 2.890 4.518 0.231
213 HA3 GLY 30 HA1 GLY 30 3.764 5.271 -1.078
214 H TYR 31 H TYR 31 1.593 4.756 -3.012
215 HA TYR 31 HA TYR 31 -0.107 6.817 -1.936
216 HB2 TYR 31 HB2 TYR 31 -0.928 7.291 -4.217
217 HB3 TYR 31 HB1 TYR 31 0.789 7.564 -3.917
218 HD1 TYR 31 HD1 TYR 31 -1.686 5.648 -5.773
219 HD2 TYR 31 HD2 TYR 31 2.440 6.228 -5.017
220 HE1 TYR 31 HE1 TYR 31 -1.154 4.441 -7.817
221 HE2 TYR 31 HE2 TYR 31 3.002 5.019 -7.033
222 HH TYR 31 HH TYR 31 2.054 3.413 -8.607
223 H TYR 32 H TYR 32 -0.321 3.685 -3.169
224 HA TYR 32 HA TYR 32 -3.151 3.606 -3.051
225 HB2 TYR 32 HB2 TYR 32 -1.151 1.363 -3.219
226 HB3 TYR 32 HB1 TYR 32 -2.852 1.024 -2.958
227 HD1 TYR 32 HD1 TYR 32 -4.408 2.532 -4.603
228 HD2 TYR 32 HD2 TYR 32 -0.461 1.188 -5.431
229 HE1 TYR 32 HE1 TYR 32 -4.868 2.712 -6.995
230 HE2 TYR 32 HE2 TYR 32 -0.907 1.367 -7.843
231 HH TYR 32 HH TYR 32 -2.814 1.369 -9.340
232 H CYS 33 H CYS 33 -0.717 2.735 -0.588
233 HA CYS 33 HA CYS 33 -2.956 2.811 1.292
234 HB2 CYS 33 HB2 CYS 33 -0.758 0.747 1.394
235 HB3 CYS 33 HB1 CYS 33 -2.127 0.901 2.489
236 HA PRO 34 HA PRO 34 0.721 5.397 2.605
237 HB2 PRO 34 HB2 PRO 34 -0.637 7.663 3.172
238 HB3 PRO 34 HB1 PRO 34 -0.045 7.281 1.549
239 HG2 PRO 34 HG2 PRO 34 -2.772 6.873 2.705
240 HG3 PRO 34 HG1 PRO 34 -2.339 7.582 1.147
241 HD2 PRO 34 HD2 PRO 34 -3.144 5.054 1.364
242 HD3 PRO 34 HD1 PRO 34 -1.885 5.510 0.194
243 H VAL 35 H VAL 35 -2.400 4.706 3.921
244 HA VAL 35 HA VAL 35 -1.587 5.637 6.515
245 HB VAL 35 HB VAL 35 -4.185 4.353 5.661
246 HG11 VAL 35 HG11 VAL 35 -5.030 5.134 7.854
247 HG12 VAL 35 HG12 VAL 35 -3.378 5.627 8.271
248 HG13 VAL 35 3HG1 VAL 35 -3.748 3.928 8.016
249 HG21 VAL 35 HG21 VAL 35 -5.064 6.630 5.843
250 HG22 VAL 35 HG22 VAL 35 -3.714 6.527 4.689
251 HG23 VAL 35 HG23 VAL 35 -3.445 7.197 6.286
252 H THR 36 H THR 36 -2.589 2.597 5.048
253 HA THR 36 HA THR 36 -2.155 0.931 7.252
254 HB THR 36 HB THR 36 -1.890 0.179 4.333
255 HG1 THR 36 HG1 THR 36 -3.823 1.211 4.564
256 HG21 THR 36 HG21 THR 36 -2.769 -1.440 6.745
257 HG22 THR 36 HG22 THR 36 -1.239 -1.609 5.879
258 HG23 THR 36 HG23 THR 36 -2.748 -2.017 5.075
259 H CYS 37 H CYS 37 0.147 2.237 4.951
260 HA CYS 37 HA CYS 37 2.205 0.490 6.032
261 HB2 CYS 37 HB2 CYS 37 2.072 2.191 3.604
262 HB3 CYS 37 HB1 CYS 37 3.615 1.537 4.169
263 H GLY 38 H GLY 38 1.011 3.291 7.042
264 HA2 GLY 38 HA2 GLY 38 1.820 4.657 8.696
265 HA3 GLY 38 HA1 GLY 38 3.342 3.797 8.607
266 H PHE 39 H PHE 39 1.867 5.529 5.910
267 HA PHE 39 HA PHE 39 4.166 7.337 5.821
268 HB2 PHE 39 HB2 PHE 39 1.768 7.065 3.983
269 HB3 PHE 39 HB1 PHE 39 3.073 8.211 3.740
270 HD1 PHE 39 HD1 PHE 39 5.136 7.531 2.796
271 HD2 PHE 39 HD2 PHE 39 2.136 4.684 3.723
272 HE1 PHE 39 HE1 PHE 39 6.352 5.858 1.479
273 HE2 PHE 39 HE2 PHE 39 3.369 2.981 2.382
274 HZ PHE 39 HZ PHE 39 5.454 3.576 1.278
275 HA CYS 40 HA CYS 40 0.829 10.087 7.215
276 HB2 CYS 40 HB2 CYS 40 -1.499 8.718 5.851
277 HB3 CYS 40 HB1 CYS 40 -1.431 10.390 6.403
278 HN1 NH2 41 H1 CYS 40 1.008 9.610 9.326
279 HN2 NH2 41 H2 CYS 40 -0.079 8.623 10.235