Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12345 | 1ssu RC | 6160 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1H ASP 1 -0.635 1.798 -20.985
2 2H ASP 1 2H ASP 1 -1.556 0.582 -20.387
3 3H ASP 1 3H ASP 1 -1.725 2.098 -19.797
4 HA ASP 1 HA ASP 1 0.663 0.402 -19.515
5 1HB ASP 1 2HB ASP 1 1.187 2.826 -19.737
6 2HB ASP 1 3HB ASP 1 0.128 3.168 -18.356
7 H GLN 2 H GLN 2 0.913 -0.674 -17.557
8 HA GLN 2 HA GLN 2 -1.098 -0.443 -15.424
9 1HB GLN 2 2HB GLN 2 -2.107 -1.910 -17.200
10 2HB GLN 2 3HB GLN 2 -0.755 -3.031 -17.014
11 1HG GLN 2 2HG GLN 2 -1.425 -3.479 -14.686
12 2HG GLN 2 3HG GLN 2 -2.706 -2.264 -14.788
13 1HE2 GLN 2 2HE2 GLN 2 -3.149 -4.994 -14.036
14 2HE2 GLN 2 1HE2 GLN 2 -4.135 -5.720 -15.308
15 H GLU 3 H GLU 3 -0.493 -1.650 -13.513
16 HA GLU 3 HA GLU 3 2.214 -2.857 -13.405
17 1HB GLU 3 2HB GLU 3 2.918 -1.549 -11.536
18 2HB GLU 3 3HB GLU 3 2.499 -0.457 -12.860
19 1HG GLU 3 2HG GLU 3 0.329 0.051 -11.773
20 2HG GLU 3 3HG GLU 3 0.707 -1.071 -10.462
21 H SER 4 H SER 4 2.589 -3.613 -11.025
22 HA SER 4 HA SER 4 0.199 -4.761 -9.722
23 1HB SER 4 2HB SER 4 1.010 -7.036 -9.800
24 2HB SER 4 3HB SER 4 0.877 -6.433 -11.463
25 HG SER 4 HG SER 4 3.137 -6.019 -11.415
26 H CYS 5 H CYS 5 1.008 -6.106 -7.713
27 HA CYS 5 HA CYS 5 2.446 -4.381 -6.036
28 1HB CYS 5 2HB CYS 5 0.754 -6.189 -5.495
29 2HB CYS 5 3HB CYS 5 2.088 -7.359 -5.564
30 H LYS 6 H LYS 6 3.996 -6.349 -8.379
31 HA LYS 6 HA LYS 6 6.103 -7.445 -6.764
32 1HB LYS 6 2HB LYS 6 5.896 -7.000 -9.760
33 2HB LYS 6 3HB LYS 6 7.235 -7.859 -8.963
34 1HG LYS 6 2HG LYS 6 5.559 -9.408 -7.906
35 2HG LYS 6 3HG LYS 6 4.287 -8.656 -8.883
36 1HD LYS 6 2HD LYS 6 6.754 -10.085 -9.937
37 2HD LYS 6 3HD LYS 6 5.151 -10.788 -9.820
38 1HE LYS 6 2HE LYS 6 5.905 -8.392 -11.562
39 2HE LYS 6 3HE LYS 6 5.763 -10.058 -12.122
40 1HZ LYS 6 1HZ LYS 6 3.399 -9.991 -11.414
41 2HZ LYS 6 2HZ LYS 6 3.543 -8.392 -11.058
42 3HZ LYS 6 3HZ LYS 6 3.729 -8.909 -12.589
43 H GLY 7 H GLY 7 7.344 -6.276 -5.613
44 1HA GLY 7 2HA GLY 7 9.320 -4.934 -5.304
45 2HA GLY 7 3HA GLY 7 8.869 -3.938 -6.696
46 H ARG 8 H ARG 8 6.113 -4.478 -4.782
47 HA ARG 8 HA ARG 8 6.403 -1.832 -3.369
48 1HB ARG 8 2HB ARG 8 3.966 -2.893 -4.861
49 2HB ARG 8 3HB ARG 8 4.136 -1.343 -4.050
50 1HG ARG 8 2HG ARG 8 6.085 -0.879 -5.706
51 2HG ARG 8 3HG ARG 8 5.474 -2.284 -6.601
52 1HD ARG 8 2HD ARG 8 4.510 -0.315 -7.555
53 2HD ARG 8 3HD ARG 8 3.211 -1.169 -6.694
54 HE ARG 8 HE ARG 8 4.090 0.538 -4.757
55 1HH1 ARG 8 2HH2 ARG 8 3.151 1.360 -8.070
56 2HH1 ARG 8 1HH2 ARG 8 3.025 3.046 -7.644
57 1HH2 ARG 8 1HH1 ARG 8 3.785 2.458 -4.297
58 2HH2 ARG 8 2HH1 ARG 8 3.331 3.690 -5.484
59 H CYS 9 H CYS 9 5.077 -5.065 -3.064
60 HA CYS 9 HA CYS 9 3.039 -4.682 -1.326
61 1HB CYS 9 2HB CYS 9 4.965 -6.997 -1.021
62 2HB CYS 9 3HB CYS 9 3.229 -6.962 -0.690
63 H THR 10 H THR 10 2.705 -3.765 0.504
64 HA THR 10 HA THR 10 2.918 -2.717 2.434
65 HB THR 10 HB THR 10 4.779 -4.862 3.457
66 HG1 THR 10 1HG THR 10 2.908 -5.691 2.322
67 1HG2 THR 10 1HG2 THR 10 2.514 -3.256 4.741
68 2HG2 THR 10 2HG2 THR 10 3.441 -4.547 5.533
69 3HG2 THR 10 3HG2 THR 10 4.245 -3.041 5.082
70 H GLU 11 H GLU 11 4.495 -1.653 0.435
71 HA GLU 11 HA GLU 11 7.116 -0.926 1.285
72 1HB GLU 11 2HB GLU 11 6.935 0.932 -0.274
73 2HB GLU 11 3HB GLU 11 6.434 -0.579 -1.005
74 1HG GLU 11 2HG GLU 11 4.050 0.081 -0.794
75 2HG GLU 11 3HG GLU 11 4.520 1.545 0.071
76 H GLY 12 H GLY 12 4.091 0.204 2.512
77 1HA GLY 12 2HA GLY 12 3.908 1.463 4.552
78 2HA GLY 12 3HA GLY 12 5.412 2.313 4.185
79 H PHE 13 H PHE 13 2.918 3.495 4.909
80 HA PHE 13 HA PHE 13 1.346 4.355 2.684
81 1HB PHE 13 2HB PHE 13 0.425 4.180 4.871
82 2HB PHE 13 3HB PHE 13 1.643 5.264 5.559
83 HD1 PHE 13 1HD PHE 13 -1.071 5.212 2.930
84 HD2 PHE 13 2HD PHE 13 1.041 7.488 5.936
85 HE1 PHE 13 1HE PHE 13 -2.668 7.091 2.643
86 HE2 PHE 13 2HE PHE 13 -0.561 9.361 5.645
87 HZ PHE 13 HZ PHE 13 -2.416 9.158 4.016
88 H ASN 14 H ASN 14 1.414 5.999 1.358
89 HA ASN 14 HA ASN 14 2.452 8.593 2.019
90 1HB ASN 14 2HB ASN 14 4.604 7.537 1.364
91 2HB ASN 14 3HB ASN 14 3.915 7.084 -0.202
92 1HD2 ASN 14 2HD2 ASN 14 6.225 8.583 -0.156
93 2HD2 ASN 14 1HD2 ASN 14 5.846 10.228 -0.663
94 H VAL 15 H VAL 15 0.300 9.112 1.639
95 HA VAL 15 HA VAL 15 -1.320 8.135 -0.370
96 HB VAL 15 HB VAL 15 -1.854 9.296 1.790
97 1HG1 VAL 15 1HG1 VAL 15 -2.087 11.789 0.116
98 2HG1 VAL 15 2HG1 VAL 15 -2.558 11.555 1.817
99 3HG1 VAL 15 3HG1 VAL 15 -0.849 11.479 1.364
100 1HG2 VAL 15 1HG2 VAL 15 -4.123 9.732 1.171
101 2HG2 VAL 15 2HG2 VAL 15 -3.682 9.807 -0.549
102 3HG2 VAL 15 3HG2 VAL 15 -3.516 8.283 0.362
103 H ASP 16 H ASP 16 1.098 10.453 -1.002
104 HA ASP 16 HA ASP 16 -0.091 11.685 -3.348
105 1HB ASP 16 2HB ASP 16 1.831 12.603 -2.050
106 2HB ASP 16 3HB ASP 16 2.820 11.248 -2.619
107 H LYS 17 H LYS 17 1.460 8.561 -2.763
108 HA LYS 17 HA LYS 17 2.206 8.028 -5.518
109 1HB LYS 17 2HB LYS 17 1.861 6.124 -3.154
110 2HB LYS 17 3HB LYS 17 2.544 5.704 -4.732
111 1HG LYS 17 2HG LYS 17 4.295 7.528 -4.346
112 2HG LYS 17 3HG LYS 17 3.710 7.608 -2.667
113 1HD LYS 17 2HD LYS 17 4.153 5.126 -2.464
114 2HD LYS 17 3HD LYS 17 4.818 5.161 -4.115
115 1HE LYS 17 2HE LYS 17 6.451 6.956 -3.272
116 2HE LYS 17 3HE LYS 17 5.891 6.545 -1.636
117 1HZ LYS 17 1HZ LYS 17 7.254 4.744 -3.557
118 2HZ LYS 17 2HZ LYS 17 7.800 5.202 -2.088
119 3HZ LYS 17 3HZ LYS 17 6.518 4.174 -2.227
120 H LYS 18 H LYS 18 1.337 6.693 -7.024
121 HA LYS 18 HA LYS 18 -1.475 6.640 -7.343
122 1HB LYS 18 2HB LYS 18 0.203 6.746 -9.156
123 2HB LYS 18 3HB LYS 18 0.663 5.072 -8.831
124 1HG LYS 18 2HG LYS 18 -0.742 5.208 -10.800
125 2HG LYS 18 3HG LYS 18 -1.615 4.337 -9.532
126 1HD LYS 18 2HD LYS 18 -2.845 6.463 -8.985
127 2HD LYS 18 3HD LYS 18 -1.986 7.271 -10.312
128 1HE LYS 18 2HE LYS 18 -2.934 5.605 -11.912
129 2HE LYS 18 3HE LYS 18 -3.814 4.839 -10.583
130 1HZ LYS 18 1HZ LYS 18 -5.016 6.940 -10.262
131 2HZ LYS 18 2HZ LYS 18 -4.204 7.643 -11.494
132 3HZ LYS 18 3HZ LYS 18 -5.224 6.405 -11.789
133 H CYS 19 H CYS 19 0.524 4.254 -5.792
134 HA CYS 19 HA CYS 19 -1.959 2.716 -5.188
135 1HB CYS 19 2HB CYS 19 -0.701 1.249 -6.689
136 2HB CYS 19 3HB CYS 19 0.765 1.475 -5.727
137 H GLN 20 H GLN 20 -2.381 2.799 -3.132
138 HA GLN 20 HA GLN 20 -0.250 3.132 -1.086
139 1HB GLN 20 2HB GLN 20 -3.267 2.809 -0.861
140 2HB GLN 20 3HB GLN 20 -2.159 3.114 0.491
141 1HG GLN 20 2HG GLN 20 -2.854 4.993 -1.780
142 2HG GLN 20 3HG GLN 20 -3.074 5.239 -0.039
143 1HE2 GLN 20 2HE2 GLN 20 -1.101 6.123 -2.681
144 2HE2 GLN 20 1HE2 GLN 20 0.271 6.621 -1.687
145 H CYS 21 H CYS 21 0.754 1.216 -2.011
146 HA CYS 21 HA CYS 21 -0.481 -1.422 -1.747
147 1HB CYS 21 2HB CYS 21 2.244 -0.312 -2.521
148 2HB CYS 21 3HB CYS 21 1.953 -2.040 -2.395
149 H ASP 22 H ASP 22 -0.797 -0.331 0.677
150 HA ASP 22 HA ASP 22 1.042 -1.684 2.555
151 1HB ASP 22 2HB ASP 22 1.629 0.382 3.678
152 2HB ASP 22 3HB ASP 22 2.036 0.547 1.969
153 H GLU 23 H GLU 23 0.461 -0.845 4.861
154 HA GLU 23 HA GLU 23 -1.875 -2.191 5.603
155 1HB GLU 23 2HB GLU 23 -0.262 -0.228 7.273
156 2HB GLU 23 3HB GLU 23 -1.255 -1.567 7.857
157 1HG GLU 23 2HG GLU 23 0.304 -3.160 6.675
158 2HG GLU 23 3HG GLU 23 1.342 -1.786 6.267
159 H LEU 24 H LEU 24 -1.713 1.236 4.806
160 HA LEU 24 HA LEU 24 -4.155 1.824 6.464
161 1HB LEU 24 2HB LEU 24 -2.016 3.659 5.336
162 2HB LEU 24 3HB LEU 24 -3.418 4.173 6.267
163 HG LEU 24 HG LEU 24 -1.135 2.441 7.302
164 1HD1 LEU 24 1HD1 LEU 24 -2.027 5.269 8.008
165 2HD1 LEU 24 2HD1 LEU 24 -0.664 4.380 8.726
166 3HD1 LEU 24 3HD1 LEU 24 -0.615 4.849 7.022
167 1HD2 LEU 24 1HD2 LEU 24 -3.655 3.441 8.705
168 2HD2 LEU 24 2HD2 LEU 24 -3.184 1.746 8.443
169 3HD2 LEU 24 3HD2 LEU 24 -2.237 2.756 9.533
170 H CYS 25 H CYS 25 -3.594 0.996 3.324
171 HA CYS 25 HA CYS 25 -4.742 3.075 1.850
172 1HB CYS 25 2HB CYS 25 -4.822 1.571 0.070
173 2HB CYS 25 3HB CYS 25 -3.434 1.103 1.070
174 H SER 26 H SER 26 -6.550 0.543 3.601
175 HA SER 26 HA SER 26 -9.003 0.747 2.156
176 1HB SER 26 2HB SER 26 -9.989 -0.327 4.177
177 2HB SER 26 3HB SER 26 -8.543 -1.147 3.563
178 HG SER 26 HG SER 26 -8.492 -0.883 5.853
179 H TYR 27 H TYR 27 -7.748 2.584 4.872
180 HA TYR 27 HA TYR 27 -10.050 4.212 5.436
181 1HB TYR 27 2HB TYR 27 -8.431 3.869 7.096
182 2HB TYR 27 3HB TYR 27 -7.102 4.228 6.027
183 HD1 TYR 27 1HD TYR 27 -5.874 6.000 6.685
184 HD2 TYR 27 2HD TYR 27 -10.155 6.161 7.193
185 HE1 TYR 27 1HE TYR 27 -5.668 8.296 7.592
186 HE2 TYR 27 2HE TYR 27 -9.952 8.463 8.124
187 HH TYR 27 HH TYR 27 -8.538 10.182 8.674
188 H TYR 28 H TYR 28 -7.841 4.304 2.761
189 HA TYR 28 HA TYR 28 -8.790 7.044 1.991
190 1HB TYR 28 2HB TYR 28 -6.165 5.625 1.468
191 2HB TYR 28 3HB TYR 28 -6.666 7.100 0.635
192 HD1 TYR 28 1HD TYR 28 -7.186 9.193 1.951
193 HD2 TYR 28 2HD TYR 28 -5.120 5.793 3.624
194 HE1 TYR 28 1HE TYR 28 -6.235 10.651 3.730
195 HE2 TYR 28 2HE TYR 28 -4.159 7.252 5.392
196 HH TYR 28 HH TYR 28 -4.877 10.770 5.568
197 H GLN 29 H GLN 29 -9.052 3.773 1.027
198 HA GLN 29 HA GLN 29 -9.746 2.702 -0.825
199 1HB GLN 29 2HB GLN 29 -11.278 5.286 -1.289
200 2HB GLN 29 3HB GLN 29 -11.583 3.769 -2.127
201 1HG GLN 29 2HG GLN 29 -11.797 4.109 0.897
202 2HG GLN 29 3HG GLN 29 -13.147 4.208 -0.236
203 1HE2 GLN 29 1HE2 GLN 29 -11.536 2.053 1.822
204 2HE2 GLN 29 2HE2 GLN 29 -12.115 0.570 1.053
205 H SER 30 H SER 30 -7.224 3.775 -1.068
206 HA SER 30 HA SER 30 -6.897 4.396 -3.978
207 1HB SER 30 2HB SER 30 -4.946 5.787 -3.184
208 2HB SER 30 3HB SER 30 -6.539 6.368 -2.655
209 HG SER 30 HG SER 30 -5.088 6.364 -0.934
210 H CYS 31 H CYS 31 -6.778 1.792 -2.523
211 HA CYS 31 HA CYS 31 -4.027 0.928 -2.305
212 1HB CYS 31 2HB CYS 31 -6.472 0.155 -1.278
213 2HB CYS 31 3HB CYS 31 -6.233 -1.068 -2.530
214 H CYS 32 H CYS 32 -3.124 -1.005 -3.456
215 HA CYS 32 HA CYS 32 -3.220 -1.068 -6.248
216 1HB CYS 32 2HB CYS 32 -2.652 -3.674 -5.739
217 2HB CYS 32 3HB CYS 32 -1.481 -2.376 -5.661
218 H THR 33 H THR 33 -4.179 -2.373 -7.772
219 HA THR 33 HA THR 33 -6.976 -2.570 -7.638
220 HB THR 33 HB THR 33 -6.765 -3.883 -9.792
221 HG1 THR 33 1HG THR 33 -4.681 -4.071 -10.623
222 1HG2 THR 33 1HG2 THR 33 -6.843 -1.405 -9.770
223 2HG2 THR 33 2HG2 THR 33 -5.073 -1.348 -9.615
224 3HG2 THR 33 3HG2 THR 33 -5.823 -2.028 -11.076
225 H ASP 34 H ASP 34 -4.743 -5.009 -6.583
226 HA ASP 34 HA ASP 34 -7.030 -6.702 -5.784
227 1HB ASP 34 2HB ASP 34 -6.127 -7.468 -8.023
228 2HB ASP 34 3HB ASP 34 -4.616 -7.872 -7.201
229 H TYR 35 H TYR 35 -5.530 -4.923 -4.217
230 HA TYR 35 HA TYR 35 -3.355 -5.633 -2.810
231 1HB TYR 35 2HB TYR 35 -4.534 -3.585 -2.275
232 2HB TYR 35 3HB TYR 35 -5.966 -4.486 -1.779
233 HD1 TYR 35 1HD TYR 35 -2.564 -3.412 -0.742
234 HD2 TYR 35 2HD TYR 35 -6.179 -5.461 0.436
235 HE1 TYR 35 1HE TYR 35 -1.830 -3.344 1.617
236 HE2 TYR 35 2HE TYR 35 -5.458 -5.337 2.815
237 HH TYR 35 HH TYR 35 -2.430 -3.701 3.786
238 H THR 36 H THR 36 -6.570 -6.955 -1.832
239 HA THR 36 HA THR 36 -5.550 -8.351 0.375
240 HB THR 36 HB THR 36 -8.044 -9.352 -0.971
241 HG1 THR 36 1HG THR 36 -9.149 -7.536 -0.247
242 1HG2 THR 36 1HG2 THR 36 -7.334 -8.508 1.885
243 2HG2 THR 36 2HG2 THR 36 -8.905 -9.168 1.368
244 3HG2 THR 36 3HG2 THR 36 -7.458 -10.180 1.294
245 H ALA 37 H ALA 37 -5.165 -9.272 -2.889
246 HA ALA 37 HA ALA 37 -4.297 -12.001 -2.026
247 1HB ALA 37 1HB ALA 37 -5.425 -11.177 -4.719
248 2HB ALA 37 2HB ALA 37 -4.873 -12.800 -4.259
249 3HB ALA 37 3HB ALA 37 -6.293 -12.092 -3.466
250 H GLU 38 H GLU 38 -3.228 -8.999 -3.415
251 HA GLU 38 HA GLU 38 -0.669 -10.305 -4.305
252 1HB GLU 38 2HB GLU 38 -1.877 -7.652 -5.161
253 2HB GLU 38 3HB GLU 38 -0.324 -8.339 -5.680
254 1HG GLU 38 2HG GLU 38 -1.639 -10.352 -6.531
255 2HG GLU 38 3HG GLU 38 -3.094 -9.390 -6.306
256 H CYS 39 H CYS 39 -1.877 -7.611 -2.254
257 HA CYS 39 HA CYS 39 0.958 -6.904 -1.621
258 1HB CYS 39 2HB CYS 39 -1.246 -4.967 -1.264
259 2HB CYS 39 3HB CYS 39 0.426 -4.651 -1.662
260 H LYS 40 H LYS 40 -1.796 -8.200 -0.306
261 HA LYS 40 HA LYS 40 -2.194 -7.286 2.194
262 1HB LYS 40 2HB LYS 40 -3.367 -9.102 1.084
263 2HB LYS 40 3HB LYS 40 -1.995 -10.186 1.350
264 1HG LYS 40 2HG LYS 40 -2.340 -10.133 3.761
265 2HG LYS 40 3HG LYS 40 -3.498 -8.793 3.613
266 1HD LYS 40 2HD LYS 40 -4.714 -10.866 4.000
267 2HD LYS 40 3HD LYS 40 -5.059 -10.237 2.388
268 1HE LYS 40 2HE LYS 40 -3.168 -11.858 1.579
269 2HE LYS 40 3HE LYS 40 -3.322 -12.614 3.169
270 1HZ LYS 40 1HZ LYS 40 -4.746 -13.704 1.542
271 2HZ LYS 40 2HZ LYS 40 -5.716 -12.950 2.622
272 3HZ LYS 40 3HZ LYS 40 -5.463 -12.292 1.133
273 HA PRO 41 HA PRO 41 1.807 -7.440 4.377
274 1HB PRO 41 2HB PRO 41 -0.227 -7.292 6.614
275 2HB PRO 41 3HB PRO 41 1.353 -6.452 6.476
276 1HG PRO 41 2HG PRO 41 -0.961 -5.166 5.860
277 2HG PRO 41 3HG PRO 41 0.501 -4.950 4.842
278 1HD PRO 41 2HD PRO 41 -1.949 -6.602 4.257
279 2HD PRO 41 3HD PRO 41 -0.889 -5.693 3.159
280 H GLN 42 H GLN 42 2.865 -8.757 5.980
281 HA GLN 42 HA GLN 42 2.655 -11.467 5.413
282 1HB GLN 42 2HB GLN 42 3.979 -10.083 7.778
283 2HB GLN 42 3HB GLN 42 4.201 -11.792 7.369
284 1HG GLN 42 2HG GLN 42 5.074 -11.137 5.124
285 2HG GLN 42 3HG GLN 42 4.984 -9.437 5.600
286 1HE2 GLN 42 2HE2 GLN 42 7.173 -11.960 5.350
287 2HE2 GLN 42 1HE2 GLN 42 8.262 -11.461 6.637
288 H VAL 43 H VAL 43 1.940 -13.258 6.309
289 HA VAL 43 HA VAL 43 0.394 -13.322 8.844
290 HB VAL 43 HB VAL 43 -1.323 -14.778 7.703
291 1HG1 VAL 43 1HG1 VAL 43 -1.776 -12.455 8.384
292 2HG1 VAL 43 2HG1 VAL 43 -1.257 -11.886 6.783
293 3HG1 VAL 43 3HG1 VAL 43 -2.683 -12.931 6.939
294 1HG2 VAL 43 1HG2 VAL 43 -1.726 -14.541 5.319
295 2HG2 VAL 43 2HG2 VAL 43 -0.316 -13.484 5.123
296 3HG2 VAL 43 3HG2 VAL 43 -0.100 -15.198 5.543
297 H THR 44 H THR 44 2.851 -14.033 8.920
298 HA THR 44 HA THR 44 3.813 -16.442 7.910
299 HB THR 44 HB THR 44 5.411 -16.402 9.856
300 HG1 THR 44 1HG THR 44 3.987 -15.420 11.375
301 1HG2 THR 44 1HG2 THR 44 5.816 -15.085 7.757
302 2HG2 THR 44 2HG2 THR 44 5.028 -13.687 8.518
303 3HG2 THR 44 3HG2 THR 44 6.524 -14.351 9.203
304 H ARG 45 H ARG 45 3.892 -18.523 8.473
305 HA ARG 45 HA ARG 45 1.874 -19.501 10.462
306 1HB ARG 45 2HB ARG 45 1.270 -19.613 8.125
307 2HB ARG 45 3HB ARG 45 2.720 -20.500 7.715
308 1HG ARG 45 2HG ARG 45 0.737 -21.654 9.709
309 2HG ARG 45 3HG ARG 45 0.361 -21.666 7.985
310 1HD ARG 45 2HD ARG 45 2.785 -23.003 9.247
311 2HD ARG 45 3HD ARG 45 1.329 -23.809 8.697
312 HE ARG 45 HE ARG 45 3.517 -22.678 7.050
313 1HH1 ARG 45 1HH2 ARG 45 0.239 -23.920 6.830
314 2HH1 ARG 45 2HH2 ARG 45 0.427 -24.311 5.142
315 1HH2 ARG 45 1HH1 ARG 45 3.745 -23.355 5.013
316 2HH2 ARG 45 2HH1 ARG 45 2.362 -23.952 4.119
317 H GLY 46 H GLY 46 5.232 -19.806 9.695
318 1HA GLY 46 2HA GLY 46 6.393 -20.848 11.746
319 2HA GLY 46 3HA GLY 46 5.505 -22.312 11.319
320 H ASP 47 H ASP 47 6.085 -21.215 8.376
321 HA ASP 47 HA ASP 47 8.784 -22.412 8.038
322 1HB ASP 47 2HB ASP 47 7.855 -23.692 6.199
323 2HB ASP 47 3HB ASP 47 6.894 -23.989 7.641
324 H VAL 48 H VAL 48 7.677 -19.555 7.915
325 HA VAL 48 HA VAL 48 9.253 -18.680 5.620
326 HB VAL 48 HB VAL 48 7.165 -19.017 4.486
327 1HG1 VAL 48 1HG1 VAL 48 5.543 -18.875 6.341
328 2HG1 VAL 48 2HG1 VAL 48 5.806 -17.117 6.433
329 3HG1 VAL 48 3HG1 VAL 48 5.099 -17.841 4.980
330 1HG2 VAL 48 1HG2 VAL 48 8.548 -17.056 3.871
331 2HG2 VAL 48 2HG2 VAL 48 6.827 -16.830 3.525
332 3HG2 VAL 48 3HG2 VAL 48 7.547 -16.033 4.934
333 H PHE 49 H PHE 49 10.358 -16.964 6.147
334 HA PHE 49 HA PHE 49 9.533 -15.086 8.301
335 1HB PHE 49 2HB PHE 49 12.113 -16.714 8.298
336 2HB PHE 49 3HB PHE 49 11.660 -15.483 9.480
337 HD1 PHE 49 1HD PHE 49 11.407 -18.990 8.588
338 HD2 PHE 49 2HD PHE 49 9.632 -15.868 10.977
339 HE1 PHE 49 1HE PHE 49 10.289 -20.702 10.000
340 HE2 PHE 49 2HE PHE 49 8.515 -17.584 12.386
341 HZ PHE 49 HZ PHE 49 8.847 -20.002 11.901
342 H THR 50 H THR 50 9.794 -14.759 5.423
343 HA THR 50 HA THR 50 12.151 -12.923 5.152
344 HB THR 50 HB THR 50 11.085 -14.809 3.018
345 HG1 THR 50 1HG THR 50 12.888 -16.062 3.463
346 1HG2 THR 50 1HG2 THR 50 13.315 -14.403 1.961
347 2HG2 THR 50 2HG2 THR 50 12.342 -12.937 2.053
348 3HG2 THR 50 3HG2 THR 50 13.669 -13.191 3.212
349 H MET 51 H MET 51 11.913 -11.148 3.828
350 HA MET 51 HA MET 51 9.366 -10.534 2.467
351 1HB MET 51 2HB MET 51 9.082 -9.739 4.808
352 2HB MET 51 3HB MET 51 10.544 -8.760 4.654
353 1HG MET 51 2HG MET 51 9.493 -7.452 2.853
354 2HG MET 51 3HG MET 51 8.043 -8.474 2.940
355 1HE MET 51 1HE MET 51 6.939 -4.926 4.284
356 2HE MET 51 2HE MET 51 8.181 -5.245 3.056
357 3HE MET 51 3HE MET 51 6.666 -6.175 3.047
Start of MODEL 2
1 1H ASP 1 1H ASP 1 7.085 -5.976 -17.610
2 2H ASP 1 2H ASP 1 6.565 -5.261 -18.987
3 3H ASP 1 3H ASP 1 7.958 -4.764 -18.282
4 HA ASP 1 HA ASP 1 6.756 -3.969 -16.347
5 1HB ASP 1 2HB ASP 1 7.263 -2.406 -18.191
6 2HB ASP 1 3HB ASP 1 5.743 -2.844 -18.992
7 H GLN 2 H GLN 2 5.009 -4.228 -15.052
8 HA GLN 2 HA GLN 2 2.358 -4.917 -16.177
9 1HB GLN 2 2HB GLN 2 3.805 -6.607 -14.085
10 2HB GLN 2 3HB GLN 2 2.079 -6.708 -14.446
11 1HG GLN 2 2HG GLN 2 2.653 -7.286 -16.826
12 2HG GLN 2 3HG GLN 2 4.353 -7.387 -16.356
13 1HE2 GLN 2 2HE2 GLN 2 2.076 -9.440 -17.195
14 2HE2 GLN 2 1HE2 GLN 2 2.330 -10.718 -16.007
15 H GLU 3 H GLU 3 0.681 -4.146 -14.985
16 HA GLU 3 HA GLU 3 1.228 -2.339 -12.722
17 1HB GLU 3 2HB GLU 3 -1.215 -1.838 -12.914
18 2HB GLU 3 3HB GLU 3 -0.209 -1.423 -14.304
19 1HG GLU 3 2HG GLU 3 -1.023 -3.345 -15.568
20 2HG GLU 3 3HG GLU 3 -1.959 -3.920 -14.195
21 H SER 4 H SER 4 2.009 -3.952 -11.253
22 HA SER 4 HA SER 4 -0.129 -5.116 -9.592
23 1HB SER 4 2HB SER 4 0.521 -7.348 -9.738
24 2HB SER 4 3HB SER 4 0.499 -6.809 -11.416
25 HG SER 4 HG SER 4 2.746 -6.634 -11.365
26 H CYS 5 H CYS 5 1.048 -6.444 -7.670
27 HA CYS 5 HA CYS 5 2.356 -4.390 -6.195
28 1HB CYS 5 2HB CYS 5 0.735 -6.192 -5.458
29 2HB CYS 5 3HB CYS 5 2.090 -7.326 -5.454
30 H LYS 6 H LYS 6 4.041 -6.180 -8.479
31 HA LYS 6 HA LYS 6 6.047 -7.362 -6.800
32 1HB LYS 6 2HB LYS 6 5.825 -6.837 -9.774
33 2HB LYS 6 3HB LYS 6 7.431 -7.099 -9.113
34 1HG LYS 6 2HG LYS 6 6.965 -9.184 -9.750
35 2HG LYS 6 3HG LYS 6 6.482 -9.282 -8.055
36 1HD LYS 6 2HD LYS 6 4.563 -8.755 -10.350
37 2HD LYS 6 3HD LYS 6 4.992 -10.383 -9.832
38 1HE LYS 6 2HE LYS 6 4.017 -10.094 -7.661
39 2HE LYS 6 3HE LYS 6 3.813 -8.357 -7.905
40 1HZ LYS 6 1HZ LYS 6 2.380 -10.456 -9.424
41 2HZ LYS 6 2HZ LYS 6 1.726 -9.463 -8.290
42 3HZ LYS 6 3HZ LYS 6 2.271 -8.832 -9.698
43 H GLY 7 H GLY 7 7.537 -6.414 -5.650
44 1HA GLY 7 2HA GLY 7 9.287 -5.001 -5.041
45 2HA GLY 7 3HA GLY 7 9.033 -4.021 -6.494
46 H ARG 8 H ARG 8 6.092 -4.482 -4.764
47 HA ARG 8 HA ARG 8 6.347 -1.789 -3.427
48 1HB ARG 8 2HB ARG 8 3.948 -2.889 -4.946
49 2HB ARG 8 3HB ARG 8 4.083 -1.329 -4.146
50 1HG ARG 8 2HG ARG 8 6.086 -0.876 -5.746
51 2HG ARG 8 3HG ARG 8 5.486 -2.276 -6.652
52 1HD ARG 8 2HD ARG 8 4.525 -0.364 -7.652
53 2HD ARG 8 3HD ARG 8 3.214 -1.129 -6.735
54 HE ARG 8 HE ARG 8 3.903 0.569 -4.862
55 1HH1 ARG 8 1HH2 ARG 8 4.103 1.523 -8.242
56 2HH1 ARG 8 2HH2 ARG 8 4.165 3.210 -7.812
57 1HH2 ARG 8 1HH1 ARG 8 4.005 2.525 -4.413
58 2HH2 ARG 8 2HH1 ARG 8 4.161 3.799 -5.627
59 H CYS 9 H CYS 9 5.018 -5.018 -3.032
60 HA CYS 9 HA CYS 9 3.022 -4.507 -1.233
61 1HB CYS 9 2HB CYS 9 4.852 -6.896 -0.916
62 2HB CYS 9 3HB CYS 9 3.120 -6.762 -0.563
63 H THR 10 H THR 10 2.751 -3.764 0.718
64 HA THR 10 HA THR 10 3.073 -2.719 2.639
65 HB THR 10 HB THR 10 5.259 -4.620 3.476
66 HG1 THR 10 1HG THR 10 3.635 -5.857 2.514
67 1HG2 THR 10 1HG2 THR 10 4.042 -4.518 5.630
68 2HG2 THR 10 2HG2 THR 10 4.508 -2.889 5.129
69 3HG2 THR 10 3HG2 THR 10 2.832 -3.432 4.914
70 H GLU 11 H GLU 11 4.424 -1.514 0.488
71 HA GLU 11 HA GLU 11 7.086 -0.704 1.182
72 1HB GLU 11 2HB GLU 11 6.804 1.058 -0.459
73 2HB GLU 11 3HB GLU 11 6.330 -0.500 -1.094
74 1HG GLU 11 2HG GLU 11 3.927 0.113 -0.829
75 2HG GLU 11 3HG GLU 11 4.395 1.642 -0.080
76 H GLY 12 H GLY 12 4.114 0.412 2.514
77 1HA GLY 12 2HA GLY 12 3.986 1.782 4.460
78 2HA GLY 12 3HA GLY 12 5.493 2.592 4.026
79 H PHE 13 H PHE 13 2.813 3.618 4.732
80 HA PHE 13 HA PHE 13 1.368 4.534 2.456
81 1HB PHE 13 2HB PHE 13 0.238 4.218 4.511
82 2HB PHE 13 3HB PHE 13 1.379 5.233 5.402
83 HD1 PHE 13 1HD PHE 13 -1.292 5.315 2.755
84 HD2 PHE 13 2HD PHE 13 0.945 7.549 5.699
85 HE1 PHE 13 1HE PHE 13 -2.838 7.228 2.491
86 HE2 PHE 13 2HE PHE 13 -0.593 9.471 5.410
87 HZ PHE 13 HZ PHE 13 -2.490 9.312 3.817
88 H ASN 14 H ASN 14 1.287 6.276 1.344
89 HA ASN 14 HA ASN 14 1.985 8.897 2.148
90 1HB ASN 14 2HB ASN 14 4.327 8.306 1.674
91 2HB ASN 14 3HB ASN 14 3.854 7.635 0.106
92 1HD2 ASN 14 2HD2 ASN 14 5.643 9.236 -0.551
93 2HD2 ASN 14 1HD2 ASN 14 5.082 10.865 -0.911
94 H VAL 15 H VAL 15 -0.068 9.382 1.500
95 HA VAL 15 HA VAL 15 -1.434 8.135 -0.564
96 HB VAL 15 HB VAL 15 -2.290 9.269 1.459
97 1HG1 VAL 15 1HG1 VAL 15 -2.446 11.754 -0.235
98 2HG1 VAL 15 2HG1 VAL 15 -3.114 11.488 1.399
99 3HG1 VAL 15 3HG1 VAL 15 -1.362 11.492 1.161
100 1HG2 VAL 15 1HG2 VAL 15 -3.709 8.164 -0.143
101 2HG2 VAL 15 2HG2 VAL 15 -4.493 9.555 0.612
102 3HG2 VAL 15 3HG2 VAL 15 -3.888 9.688 -1.055
103 H ASP 16 H ASP 16 0.883 10.535 -1.151
104 HA ASP 16 HA ASP 16 -0.175 11.433 -3.734
105 1HB ASP 16 2HB ASP 16 2.538 11.615 -2.395
106 2HB ASP 16 3HB ASP 16 2.224 12.223 -4.024
107 H LYS 17 H LYS 17 1.449 8.519 -2.694
108 HA LYS 17 HA LYS 17 2.748 7.826 -5.198
109 1HB LYS 17 2HB LYS 17 1.766 6.072 -2.905
110 2HB LYS 17 3HB LYS 17 2.748 5.504 -4.250
111 1HG LYS 17 2HG LYS 17 4.636 6.836 -3.554
112 2HG LYS 17 3HG LYS 17 3.680 7.633 -2.278
113 1HD LYS 17 2HD LYS 17 3.325 5.488 -1.136
114 2HD LYS 17 3HD LYS 17 4.113 4.622 -2.468
115 1HE LYS 17 2HE LYS 17 6.247 5.809 -1.954
116 2HE LYS 17 3HE LYS 17 5.468 6.578 -0.556
117 1HZ LYS 17 1HZ LYS 17 5.050 4.309 0.327
118 2HZ LYS 17 2HZ LYS 17 5.808 3.669 -0.993
119 3HZ LYS 17 3HZ LYS 17 6.659 4.558 0.093
120 H LYS 18 H LYS 18 2.127 6.416 -6.813
121 HA LYS 18 HA LYS 18 -0.573 6.413 -7.664
122 1HB LYS 18 2HB LYS 18 1.332 6.331 -9.177
123 2HB LYS 18 3HB LYS 18 1.779 4.726 -8.588
124 1HG LYS 18 2HG LYS 18 0.712 4.603 -10.776
125 2HG LYS 18 3HG LYS 18 -0.294 3.792 -9.566
126 1HD LYS 18 2HD LYS 18 -1.695 5.892 -9.418
127 2HD LYS 18 3HD LYS 18 -0.712 6.592 -10.721
128 1HE LYS 18 2HE LYS 18 -1.356 4.705 -12.212
129 2HE LYS 18 3HE LYS 18 -2.331 4.008 -10.911
130 1HZ LYS 18 1HZ LYS 18 -3.698 5.309 -12.438
131 2HZ LYS 18 2HZ LYS 18 -3.718 6.014 -10.967
132 3HZ LYS 18 3HZ LYS 18 -2.818 6.657 -12.172
133 H CYS 19 H CYS 19 1.059 4.024 -5.691
134 HA CYS 19 HA CYS 19 -1.584 2.677 -5.301
135 1HB CYS 19 2HB CYS 19 -0.249 1.087 -6.623
136 2HB CYS 19 3HB CYS 19 1.100 1.261 -5.492
137 H GLN 20 H GLN 20 -2.176 2.647 -3.267
138 HA GLN 20 HA GLN 20 -0.209 3.133 -1.085
139 1HB GLN 20 2HB GLN 20 -3.227 2.814 -1.052
140 2HB GLN 20 3HB GLN 20 -2.207 3.189 0.351
141 1HG GLN 20 2HG GLN 20 -2.827 4.944 -2.033
142 2HG GLN 20 3HG GLN 20 -3.127 5.255 -0.317
143 1HE2 GLN 20 2HE2 GLN 20 -1.078 6.142 -2.875
144 2HE2 GLN 20 1HE2 GLN 20 0.219 6.714 -1.817
145 H CYS 21 H CYS 21 0.858 1.179 -1.933
146 HA CYS 21 HA CYS 21 -0.398 -1.448 -1.543
147 1HB CYS 21 2HB CYS 21 2.322 -0.437 -2.424
148 2HB CYS 21 3HB CYS 21 1.985 -2.148 -2.191
149 H ASP 22 H ASP 22 -0.746 -0.322 0.797
150 HA ASP 22 HA ASP 22 1.248 -1.398 2.720
151 1HB ASP 22 2HB ASP 22 1.537 0.792 3.764
152 2HB ASP 22 3HB ASP 22 1.989 0.868 2.061
153 H GLU 23 H GLU 23 0.595 -0.563 5.010
154 HA GLU 23 HA GLU 23 -1.670 -2.062 5.791
155 1HB GLU 23 2HB GLU 23 -0.042 -0.067 7.413
156 2HB GLU 23 3HB GLU 23 -1.005 -1.409 8.036
157 1HG GLU 23 2HG GLU 23 0.521 -2.998 6.802
158 2HG GLU 23 3HG GLU 23 1.540 -1.624 6.358
159 H LEU 24 H LEU 24 -1.727 1.295 4.846
160 HA LEU 24 HA LEU 24 -4.147 1.848 6.555
161 1HB LEU 24 2HB LEU 24 -2.015 3.728 5.481
162 2HB LEU 24 3HB LEU 24 -3.434 4.218 6.397
163 HG LEU 24 HG LEU 24 -1.177 2.471 7.469
164 1HD1 LEU 24 1HD1 LEU 24 -0.626 4.444 8.824
165 2HD1 LEU 24 2HD1 LEU 24 -0.531 4.823 7.098
166 3HD1 LEU 24 3HD1 LEU 24 -1.932 5.366 8.044
167 1HD2 LEU 24 1HD2 LEU 24 -3.286 1.925 8.611
168 2HD2 LEU 24 2HD2 LEU 24 -2.253 2.874 9.681
169 3HD2 LEU 24 3HD2 LEU 24 -3.626 3.652 8.860
170 H CYS 25 H CYS 25 -3.413 1.096 3.431
171 HA CYS 25 HA CYS 25 -4.506 3.156 1.900
172 1HB CYS 25 2HB CYS 25 -4.420 1.588 0.129
173 2HB CYS 25 3HB CYS 25 -3.079 1.252 1.244
174 H SER 26 H SER 26 -6.324 0.504 3.455
175 HA SER 26 HA SER 26 -8.668 0.766 1.816
176 1HB SER 26 2HB SER 26 -9.700 -0.742 3.404
177 2HB SER 26 3HB SER 26 -8.068 -1.287 3.003
178 HG SER 26 HG SER 26 -8.488 -1.360 5.280
179 H TYR 27 H TYR 27 -7.672 2.331 4.789
180 HA TYR 27 HA TYR 27 -10.095 3.738 5.432
181 1HB TYR 27 2HB TYR 27 -8.515 3.489 7.118
182 2HB TYR 27 3HB TYR 27 -7.172 3.922 6.095
183 HD1 TYR 27 1HD TYR 27 -6.170 5.969 6.288
184 HD2 TYR 27 2HD TYR 27 -10.230 5.483 7.656
185 HE1 TYR 27 1HE TYR 27 -6.120 8.273 7.210
186 HE2 TYR 27 2HE TYR 27 -10.179 7.793 8.606
187 HH TYR 27 HH TYR 27 -7.283 9.893 8.359
188 H TYR 28 H TYR 28 -7.787 4.215 2.866
189 HA TYR 28 HA TYR 28 -9.055 6.823 2.111
190 1HB TYR 28 2HB TYR 28 -6.365 5.585 1.448
191 2HB TYR 28 3HB TYR 28 -7.012 7.007 0.626
192 HD1 TYR 28 1HD TYR 28 -5.250 5.825 3.565
193 HD2 TYR 28 2HD TYR 28 -7.497 9.113 1.902
194 HE1 TYR 28 1HE TYR 28 -4.252 7.363 5.247
195 HE2 TYR 28 2HE TYR 28 -6.507 10.648 3.590
196 HH TYR 28 HH TYR 28 -5.079 10.856 5.367
197 H GLN 29 H GLN 29 -9.330 3.583 1.398
198 HA GLN 29 HA GLN 29 -9.916 2.284 -0.339
199 1HB GLN 29 2HB GLN 29 -11.532 4.689 -1.265
200 2HB GLN 29 3HB GLN 29 -11.774 3.004 -1.711
201 1HG GLN 29 2HG GLN 29 -13.404 3.309 -0.109
202 2HG GLN 29 3HG GLN 29 -12.114 2.529 0.809
203 1HE2 GLN 29 2HE2 GLN 29 -11.612 3.554 2.761
204 2HE2 GLN 29 1HE2 GLN 29 -12.004 5.243 3.112
205 H SER 30 H SER 30 -7.400 3.424 -0.712
206 HA SER 30 HA SER 30 -7.181 3.828 -3.674
207 1HB SER 30 2HB SER 30 -5.346 5.411 -3.121
208 2HB SER 30 3HB SER 30 -6.928 5.902 -2.476
209 HG SER 30 HG SER 30 -5.312 6.112 -0.904
210 H CYS 31 H CYS 31 -6.740 1.369 -1.875
211 HA CYS 31 HA CYS 31 -4.013 0.554 -1.995
212 1HB CYS 31 2HB CYS 31 -6.458 -1.219 -2.284
213 2HB CYS 31 3HB CYS 31 -4.872 -1.612 -1.600
214 H CYS 32 H CYS 32 -3.015 -1.085 -3.424
215 HA CYS 32 HA CYS 32 -3.177 -0.962 -6.154
216 1HB CYS 32 2HB CYS 32 -2.657 -3.658 -5.774
217 2HB CYS 32 3HB CYS 32 -1.468 -2.371 -5.765
218 H THR 33 H THR 33 -3.979 -2.237 -7.804
219 HA THR 33 HA THR 33 -6.673 -2.439 -8.080
220 HB THR 33 HB THR 33 -4.744 -4.235 -9.584
221 HG1 THR 33 1HG THR 33 -4.351 -2.408 -10.860
222 1HG2 THR 33 1HG2 THR 33 -7.246 -2.715 -10.456
223 2HG2 THR 33 2HG2 THR 33 -6.156 -3.607 -11.542
224 3HG2 THR 33 3HG2 THR 33 -7.081 -4.481 -10.318
225 H ASP 34 H ASP 34 -4.706 -5.045 -6.742
226 HA ASP 34 HA ASP 34 -7.183 -6.555 -6.101
227 1HB ASP 34 2HB ASP 34 -6.101 -7.435 -8.213
228 2HB ASP 34 3HB ASP 34 -4.679 -7.852 -7.245
229 H TYR 35 H TYR 35 -5.575 -4.804 -4.495
230 HA TYR 35 HA TYR 35 -3.523 -5.531 -3.004
231 1HB TYR 35 2HB TYR 35 -4.621 -3.448 -2.630
232 2HB TYR 35 3HB TYR 35 -6.113 -4.236 -2.114
233 HD1 TYR 35 1HD TYR 35 -6.445 -5.005 0.167
234 HD2 TYR 35 2HD TYR 35 -2.688 -3.264 -1.045
235 HE1 TYR 35 1HE TYR 35 -5.790 -4.711 2.552
236 HE2 TYR 35 2HE TYR 35 -2.026 -3.015 1.315
237 HH TYR 35 HH TYR 35 -2.767 -3.038 3.462
238 H THR 36 H THR 36 -6.774 -6.724 -1.988
239 HA THR 36 HA THR 36 -5.827 -8.006 0.324
240 HB THR 36 HB THR 36 -8.303 -9.028 -1.050
241 HG1 THR 36 1HG THR 36 -9.394 -7.177 -0.392
242 1HG2 THR 36 1HG2 THR 36 -9.217 -8.781 1.264
243 2HG2 THR 36 2HG2 THR 36 -7.784 -9.815 1.246
244 3HG2 THR 36 3HG2 THR 36 -7.647 -8.135 1.804
245 H ALA 37 H ALA 37 -5.403 -9.126 -2.888
246 HA ALA 37 HA ALA 37 -4.481 -11.760 -1.790
247 1HB ALA 37 1HB ALA 37 -5.608 -11.189 -4.557
248 2HB ALA 37 2HB ALA 37 -4.966 -12.744 -3.986
249 3HB ALA 37 3HB ALA 37 -6.432 -12.069 -3.250
250 H GLU 38 H GLU 38 -3.728 -9.023 -3.955
251 HA GLU 38 HA GLU 38 -1.153 -10.177 -4.762
252 1HB GLU 38 2HB GLU 38 -2.878 -7.881 -5.507
253 2HB GLU 38 3HB GLU 38 -1.170 -7.486 -5.529
254 1HG GLU 38 2HG GLU 38 -2.270 -9.949 -6.922
255 2HG GLU 38 3HG GLU 38 -2.181 -8.363 -7.695
256 H CYS 39 H CYS 39 -2.150 -7.654 -2.409
257 HA CYS 39 HA CYS 39 0.740 -7.129 -1.874
258 1HB CYS 39 2HB CYS 39 -1.330 -5.062 -1.354
259 2HB CYS 39 3HB CYS 39 0.367 -4.882 -1.802
260 H LYS 40 H LYS 40 -2.044 -8.276 -0.356
261 HA LYS 40 HA LYS 40 -2.430 -7.189 2.009
262 1HB LYS 40 2HB LYS 40 -3.512 -9.242 1.113
263 2HB LYS 40 3HB LYS 40 -2.166 -10.191 1.745
264 1HG LYS 40 2HG LYS 40 -2.748 -9.014 4.041
265 2HG LYS 40 3HG LYS 40 -4.279 -8.611 3.255
266 1HD LYS 40 2HD LYS 40 -3.124 -11.398 3.730
267 2HD LYS 40 3HD LYS 40 -4.445 -10.639 4.628
268 1HE LYS 40 2HE LYS 40 -5.802 -10.551 2.534
269 2HE LYS 40 3HE LYS 40 -4.492 -11.358 1.668
270 1HZ LYS 40 1HZ LYS 40 -4.773 -13.272 3.150
271 2HZ LYS 40 2HZ LYS 40 -5.997 -12.532 3.944
272 3HZ LYS 40 3HZ LYS 40 -6.170 -12.944 2.374
273 HA PRO 41 HA PRO 41 1.598 -7.130 4.203
274 1HB PRO 41 2HB PRO 41 -0.314 -5.903 6.199
275 2HB PRO 41 3HB PRO 41 1.360 -5.405 5.791
276 1HG PRO 41 2HG PRO 41 -0.758 -4.052 4.776
277 2HG PRO 41 3HG PRO 41 0.642 -4.442 3.722
278 1HD PRO 41 2HD PRO 41 -2.030 -5.859 3.893
279 2HD PRO 41 3HD PRO 41 -1.064 -5.427 2.460
280 H GLN 42 H GLN 42 2.411 -8.102 6.174
281 HA GLN 42 HA GLN 42 1.198 -10.592 6.945
282 1HB GLN 42 2HB GLN 42 3.437 -8.963 8.209
283 2HB GLN 42 3HB GLN 42 2.977 -10.591 8.731
284 1HG GLN 42 2HG GLN 42 3.984 -9.898 5.932
285 2HG GLN 42 3HG GLN 42 4.976 -10.520 7.242
286 1HE2 GLN 42 2HE2 GLN 42 5.121 -12.778 7.503
287 2HE2 GLN 42 1HE2 GLN 42 4.059 -13.891 6.627
288 H VAL 43 H VAL 43 -0.463 -10.936 8.219
289 HA VAL 43 HA VAL 43 -1.690 -8.923 9.901
290 HB VAL 43 HB VAL 43 -2.180 -11.926 9.685
291 1HG1 VAL 43 1HG1 VAL 43 -4.429 -11.410 10.630
292 2HG1 VAL 43 2HG1 VAL 43 -3.144 -11.123 11.795
293 3HG1 VAL 43 3HG1 VAL 43 -3.900 -9.746 10.956
294 1HG2 VAL 43 1HG2 VAL 43 -4.119 -11.258 8.292
295 2HG2 VAL 43 2HG2 VAL 43 -3.627 -9.555 8.413
296 3HG2 VAL 43 3HG2 VAL 43 -2.608 -10.727 7.554
297 H THR 44 H THR 44 -1.632 -8.660 12.082
298 HA THR 44 HA THR 44 0.510 -9.810 13.681
299 HB THR 44 HB THR 44 -0.053 -7.475 13.835
300 HG1 THR 44 1HG THR 44 0.887 -8.280 15.620
301 1HG2 THR 44 1HG2 THR 44 -1.988 -6.590 14.961
302 2HG2 THR 44 2HG2 THR 44 -2.500 -7.492 13.532
303 3HG2 THR 44 3HG2 THR 44 -2.695 -8.201 15.148
304 H ARG 45 H ARG 45 -0.610 -11.973 12.983
305 HA ARG 45 HA ARG 45 -3.009 -12.889 14.187
306 1HB ARG 45 2HB ARG 45 -1.982 -13.825 12.187
307 2HB ARG 45 3HB ARG 45 -0.611 -14.432 13.106
308 1HG ARG 45 2HG ARG 45 -3.383 -15.336 13.902
309 2HG ARG 45 3HG ARG 45 -2.690 -15.965 12.399
310 1HD ARG 45 2HD ARG 45 -0.795 -16.902 13.510
311 2HD ARG 45 3HD ARG 45 -1.219 -16.147 15.055
312 HE ARG 45 HE ARG 45 -3.444 -17.652 14.447
313 1HH1 ARG 45 1HH2 ARG 45 -0.054 -18.455 14.910
314 2HH1 ARG 45 2HH2 ARG 45 -0.440 -20.077 15.448
315 1HH2 ARG 45 1HH1 ARG 45 -3.845 -19.722 15.129
316 2HH2 ARG 45 2HH1 ARG 45 -2.524 -20.760 15.581
317 H GLY 46 H GLY 46 0.230 -12.956 15.526
318 1HA GLY 46 2HA GLY 46 -0.043 -12.863 18.110
319 2HA GLY 46 3HA GLY 46 -0.675 -14.503 17.927
320 H ASP 47 H ASP 47 1.196 -15.230 15.795
321 HA ASP 47 HA ASP 47 3.827 -15.286 17.195
322 1HB ASP 47 2HB ASP 47 4.042 -17.588 16.744
323 2HB ASP 47 3HB ASP 47 2.403 -17.396 17.367
324 H VAL 48 H VAL 48 2.539 -13.840 14.806
325 HA VAL 48 HA VAL 48 4.953 -13.537 13.232
326 HB VAL 48 HB VAL 48 3.936 -15.398 12.025
327 1HG1 VAL 48 1HG1 VAL 48 1.568 -15.127 12.571
328 2HG1 VAL 48 2HG1 VAL 48 1.488 -13.642 11.591
329 3HG1 VAL 48 3HG1 VAL 48 1.810 -15.210 10.824
330 1HG2 VAL 48 1HG2 VAL 48 5.158 -13.653 10.754
331 2HG2 VAL 48 2HG2 VAL 48 3.929 -14.492 9.801
332 3HG2 VAL 48 3HG2 VAL 48 3.605 -12.855 10.392
333 H PHE 49 H PHE 49 4.978 -11.527 12.177
334 HA PHE 49 HA PHE 49 2.762 -9.636 12.262
335 1HB PHE 49 2HB PHE 49 3.216 -9.633 14.633
336 2HB PHE 49 3HB PHE 49 4.958 -9.576 14.364
337 HD1 PHE 49 1HD PHE 49 2.135 -7.440 13.002
338 HD2 PHE 49 2HD PHE 49 5.770 -7.622 15.320
339 HE1 PHE 49 1HE PHE 49 2.083 -4.976 13.285
340 HE2 PHE 49 2HE PHE 49 5.715 -5.158 15.595
341 HZ PHE 49 HZ PHE 49 3.872 -3.830 14.579
342 H THR 50 H THR 50 6.345 -9.931 12.203
343 HA THR 50 HA THR 50 6.490 -7.903 10.013
344 HB THR 50 HB THR 50 6.741 -6.865 12.239
345 HG1 THR 50 1HG THR 50 9.037 -6.873 10.602
346 1HG2 THR 50 1HG2 THR 50 7.873 -8.655 13.495
347 2HG2 THR 50 2HG2 THR 50 9.328 -8.456 12.493
348 3HG2 THR 50 3HG2 THR 50 8.778 -7.138 13.546
349 H MET 51 H MET 51 6.823 -10.869 10.064
350 HA MET 51 HA MET 51 9.442 -11.117 8.695
351 1HB MET 51 2HB MET 51 8.497 -12.908 10.980
352 2HB MET 51 3HB MET 51 9.838 -13.280 9.892
353 1HG MET 51 2HG MET 51 11.023 -11.238 10.628
354 2HG MET 51 3HG MET 51 9.703 -10.889 11.762
355 1HE MET 51 1HE MET 51 12.628 -11.860 14.151
356 2HE MET 51 2HE MET 51 12.762 -10.993 12.605
357 3HE MET 51 3HE MET 51 11.420 -10.631 13.715
Start of MODEL 3
1 1H ASP 1 1H ASP 1 0.596 -3.661 -18.314
2 2H ASP 1 2H ASP 1 0.032 -4.981 -19.111
3 3H ASP 1 3H ASP 1 -1.009 -3.811 -18.600
4 HA ASP 1 HA ASP 1 -1.202 -5.680 -17.148
5 1HB ASP 1 2HB ASP 1 1.811 -5.355 -16.820
6 2HB ASP 1 3HB ASP 1 0.784 -6.362 -15.783
7 H GLN 2 H GLN 2 -1.721 -5.398 -14.964
8 HA GLN 2 HA GLN 2 -1.950 -2.656 -14.094
9 1HB GLN 2 2HB GLN 2 -3.302 -3.470 -12.398
10 2HB GLN 2 3HB GLN 2 -3.650 -4.503 -13.763
11 1HG GLN 2 2HG GLN 2 -1.913 -5.221 -11.347
12 2HG GLN 2 3HG GLN 2 -3.566 -5.730 -11.613
13 1HE2 GLN 2 2HE2 GLN 2 -1.351 -7.535 -11.152
14 2HE2 GLN 2 1HE2 GLN 2 -1.200 -8.494 -12.621
15 H GLU 3 H GLU 3 -1.359 -1.869 -11.940
16 HA GLU 3 HA GLU 3 1.415 -2.245 -11.242
17 1HB GLU 3 2HB GLU 3 -0.847 -0.758 -9.833
18 2HB GLU 3 3HB GLU 3 0.856 -0.720 -9.363
19 1HG GLU 3 2HG GLU 3 0.441 1.262 -10.575
20 2HG GLU 3 3HG GLU 3 1.474 0.227 -11.552
21 H SER 4 H SER 4 1.392 -4.596 -10.916
22 HA SER 4 HA SER 4 0.290 -5.742 -8.481
23 1HB SER 4 2HB SER 4 0.987 -7.109 -10.447
24 2HB SER 4 3HB SER 4 2.677 -6.639 -10.153
25 HG SER 4 HG SER 4 1.067 -8.488 -8.845
26 H CYS 5 H CYS 5 1.614 -6.553 -6.732
27 HA CYS 5 HA CYS 5 3.520 -4.467 -5.723
28 1HB CYS 5 2HB CYS 5 1.168 -4.482 -4.905
29 2HB CYS 5 3HB CYS 5 1.404 -6.136 -4.341
30 H LYS 6 H LYS 6 3.483 -7.738 -6.579
31 HA LYS 6 HA LYS 6 4.646 -8.936 -4.252
32 1HB LYS 6 2HB LYS 6 4.424 -9.919 -7.111
33 2HB LYS 6 3HB LYS 6 4.960 -10.907 -5.730
34 1HG LYS 6 2HG LYS 6 2.826 -10.254 -4.524
35 2HG LYS 6 3HG LYS 6 2.263 -9.510 -6.032
36 1HD LYS 6 2HD LYS 6 2.926 -12.436 -5.622
37 2HD LYS 6 3HD LYS 6 1.320 -11.700 -5.643
38 1HE LYS 6 2HE LYS 6 1.968 -10.841 -8.022
39 2HE LYS 6 3HE LYS 6 3.287 -12.024 -7.937
40 1HZ LYS 6 1HZ LYS 6 1.407 -13.087 -8.935
41 2HZ LYS 6 2HZ LYS 6 1.487 -13.696 -7.401
42 3HZ LYS 6 3HZ LYS 6 0.376 -12.521 -7.796
43 H GLY 7 H GLY 7 6.293 -7.936 -3.541
44 1HA GLY 7 2HA GLY 7 8.872 -8.224 -3.603
45 2HA GLY 7 3HA GLY 7 8.743 -7.430 -5.182
46 H ARG 8 H ARG 8 6.387 -5.940 -3.385
47 HA ARG 8 HA ARG 8 8.183 -3.726 -2.427
48 1HB ARG 8 2HB ARG 8 5.577 -3.531 -4.000
49 2HB ARG 8 3HB ARG 8 6.536 -2.189 -3.388
50 1HG ARG 8 2HG ARG 8 8.446 -2.970 -4.850
51 2HG ARG 8 3HG ARG 8 7.300 -4.093 -5.612
52 1HD ARG 8 2HD ARG 8 6.989 -1.055 -5.435
53 2HD ARG 8 3HD ARG 8 7.543 -1.947 -6.855
54 HE ARG 8 HE ARG 8 5.369 -2.889 -7.162
55 1HH1 ARG 8 1HH2 ARG 8 5.209 -0.456 -4.538
56 2HH1 ARG 8 2HH2 ARG 8 3.558 -0.129 -4.936
57 1HH2 ARG 8 1HH1 ARG 8 3.246 -2.499 -7.384
58 2HH2 ARG 8 2HH1 ARG 8 2.469 -1.251 -6.444
59 H CYS 9 H CYS 9 5.014 -5.333 -1.921
60 HA CYS 9 HA CYS 9 3.674 -3.555 -0.523
61 1HB CYS 9 2HB CYS 9 3.760 -6.434 0.394
62 2HB CYS 9 3HB CYS 9 2.378 -5.327 0.360
63 H THR 10 H THR 10 3.207 -2.861 1.444
64 HA THR 10 HA THR 10 3.525 -2.032 3.517
65 HB THR 10 HB THR 10 5.496 -4.173 4.312
66 HG1 THR 10 1HG THR 10 2.667 -4.413 4.166
67 1HG2 THR 10 1HG2 THR 10 4.926 -2.474 6.034
68 2HG2 THR 10 2HG2 THR 10 3.201 -2.792 5.780
69 3HG2 THR 10 3HG2 THR 10 4.256 -4.050 6.456
70 H GLU 11 H GLU 11 5.319 -1.410 1.180
71 HA GLU 11 HA GLU 11 7.808 -0.416 2.193
72 1HB GLU 11 2HB GLU 11 7.761 1.080 0.229
73 2HB GLU 11 3HB GLU 11 7.561 -0.613 -0.163
74 1HG GLU 11 2HG GLU 11 5.133 -0.280 -0.506
75 2HG GLU 11 3HG GLU 11 5.285 1.416 -0.012
76 H GLY 12 H GLY 12 4.615 0.741 2.762
77 1HA GLY 12 2HA GLY 12 4.340 2.262 4.642
78 2HA GLY 12 3HA GLY 12 5.666 3.255 4.031
79 H PHE 13 H PHE 13 3.121 4.182 4.723
80 HA PHE 13 HA PHE 13 1.355 4.615 2.487
81 1HB PHE 13 2HB PHE 13 0.493 4.642 4.689
82 2HB PHE 13 3HB PHE 13 1.721 5.782 5.258
83 HD1 PHE 13 1HD PHE 13 -1.121 5.514 2.789
84 HD2 PHE 13 2HD PHE 13 1.170 8.034 5.450
85 HE1 PHE 13 1HE PHE 13 -2.717 7.373 2.425
86 HE2 PHE 13 2HE PHE 13 -0.424 9.898 5.063
87 HZ PHE 13 HZ PHE 13 -2.369 9.566 3.560
88 H ASN 14 H ASN 14 1.226 6.171 1.009
89 HA ASN 14 HA ASN 14 2.338 8.812 1.309
90 1HB ASN 14 2HB ASN 14 4.393 7.502 0.643
91 2HB ASN 14 3HB ASN 14 3.606 7.103 -0.887
92 1HD2 ASN 14 2HD2 ASN 14 6.058 8.483 -0.736
93 2HD2 ASN 14 1HD2 ASN 14 5.798 10.162 -1.207
94 H VAL 15 H VAL 15 0.092 9.231 1.040
95 HA VAL 15 HA VAL 15 -1.555 8.121 -0.889
96 HB VAL 15 HB VAL 15 -2.071 9.342 1.251
97 1HG1 VAL 15 1HG1 VAL 15 -1.212 11.566 0.689
98 2HG1 VAL 15 2HG1 VAL 15 -2.517 11.740 -0.515
99 3HG1 VAL 15 3HG1 VAL 15 -2.904 11.553 1.214
100 1HG2 VAL 15 1HG2 VAL 15 -4.377 9.624 0.689
101 2HG2 VAL 15 2HG2 VAL 15 -3.993 9.646 -1.047
102 3HG2 VAL 15 3HG2 VAL 15 -3.716 8.175 -0.076
103 H ASP 16 H ASP 16 0.768 10.445 -1.670
104 HA ASP 16 HA ASP 16 -0.456 11.617 -4.023
105 1HB ASP 16 2HB ASP 16 1.472 12.572 -2.816
106 2HB ASP 16 3HB ASP 16 2.431 11.140 -3.221
107 H LYS 17 H LYS 17 0.927 8.449 -3.391
108 HA LYS 17 HA LYS 17 1.683 8.007 -6.212
109 1HB LYS 17 2HB LYS 17 2.026 6.130 -3.846
110 2HB LYS 17 3HB LYS 17 2.855 6.060 -5.408
111 1HG LYS 17 2HG LYS 17 3.207 8.139 -3.218
112 2HG LYS 17 3HG LYS 17 4.376 6.925 -3.744
113 1HD LYS 17 2HD LYS 17 4.683 8.078 -5.885
114 2HD LYS 17 3HD LYS 17 3.384 9.230 -5.488
115 1HE LYS 17 2HE LYS 17 4.687 9.898 -3.438
116 2HE LYS 17 3HE LYS 17 6.050 8.945 -4.058
117 1HZ LYS 17 1HZ LYS 17 5.951 10.379 -6.078
118 2HZ LYS 17 2HZ LYS 17 4.724 11.249 -5.408
119 3HZ LYS 17 3HZ LYS 17 6.217 11.277 -4.738
120 H LYS 18 H LYS 18 1.285 6.112 -7.357
121 HA LYS 18 HA LYS 18 -1.467 5.822 -7.927
122 1HB LYS 18 2HB LYS 18 1.089 4.639 -8.967
123 2HB LYS 18 3HB LYS 18 -0.395 3.774 -9.353
124 1HG LYS 18 2HG LYS 18 0.064 5.265 -11.144
125 2HG LYS 18 3HG LYS 18 -1.383 5.839 -10.295
126 1HD LYS 18 2HD LYS 18 0.063 7.507 -9.079
127 2HD LYS 18 3HD LYS 18 1.442 6.994 -10.060
128 1HE LYS 18 2HE LYS 18 -1.176 8.163 -11.124
129 2HE LYS 18 3HE LYS 18 0.311 9.079 -10.875
130 1HZ LYS 18 1HZ LYS 18 0.005 6.822 -12.784
131 2HZ LYS 18 2HZ LYS 18 0.114 8.398 -13.178
132 3HZ LYS 18 3HZ LYS 18 1.399 7.639 -12.523
133 H CYS 19 H CYS 19 0.369 3.858 -5.740
134 HA CYS 19 HA CYS 19 -2.169 2.479 -5.084
135 1HB CYS 19 2HB CYS 19 -1.241 0.351 -4.793
136 2HB CYS 19 3HB CYS 19 -0.752 0.839 -6.417
137 H GLN 20 H GLN 20 -2.524 2.280 -2.972
138 HA GLN 20 HA GLN 20 -0.365 3.052 -1.047
139 1HB GLN 20 2HB GLN 20 -3.349 2.692 -0.662
140 2HB GLN 20 3HB GLN 20 -2.196 3.152 0.600
141 1HG GLN 20 2HG GLN 20 -3.044 4.762 -1.830
142 2HG GLN 20 3HG GLN 20 -3.241 5.183 -0.128
143 1HE2 GLN 20 2HE2 GLN 20 -1.339 5.832 -2.906
144 2HE2 GLN 20 1HE2 GLN 20 0.031 6.487 -2.011
145 H CYS 21 H CYS 21 0.705 1.177 -1.861
146 HA CYS 21 HA CYS 21 -0.328 -1.518 -1.378
147 1HB CYS 21 2HB CYS 21 2.395 -0.406 -2.214
148 2HB CYS 21 3HB CYS 21 1.988 -2.110 -2.055
149 H ASP 22 H ASP 22 -0.638 -0.241 0.964
150 HA ASP 22 HA ASP 22 1.358 -1.294 2.878
151 1HB ASP 22 2HB ASP 22 1.800 0.899 3.821
152 2HB ASP 22 3HB ASP 22 2.163 0.946 2.093
153 H GLU 23 H GLU 23 0.751 -0.307 5.130
154 HA GLU 23 HA GLU 23 -1.487 -1.765 5.997
155 1HB GLU 23 2HB GLU 23 0.031 0.364 7.549
156 2HB GLU 23 3HB GLU 23 -0.833 -1.033 8.197
157 1HG GLU 23 2HG GLU 23 0.826 -2.518 6.978
158 2HG GLU 23 3HG GLU 23 1.747 -1.063 6.561
159 H LEU 24 H LEU 24 -1.515 1.600 5.005
160 HA LEU 24 HA LEU 24 -3.959 2.184 6.664
161 1HB LEU 24 2HB LEU 24 -1.956 4.062 5.363
162 2HB LEU 24 3HB LEU 24 -3.332 4.539 6.353
163 HG LEU 24 HG LEU 24 -0.892 2.984 7.319
164 1HD1 LEU 24 1HD1 LEU 24 -1.871 5.804 7.928
165 2HD1 LEU 24 2HD1 LEU 24 -0.426 5.017 8.603
166 3HD1 LEU 24 3HD1 LEU 24 -0.505 5.387 6.874
167 1HD2 LEU 24 1HD2 LEU 24 -2.846 2.262 8.615
168 2HD2 LEU 24 2HD2 LEU 24 -1.850 3.337 9.595
169 3HD2 LEU 24 3HD2 LEU 24 -3.345 3.952 8.856
170 H CYS 25 H CYS 25 -3.386 1.125 3.665
171 HA CYS 25 HA CYS 25 -4.406 2.969 1.893
172 1HB CYS 25 2HB CYS 25 -4.389 1.234 0.355
173 2HB CYS 25 3HB CYS 25 -3.143 0.850 1.547
174 H SER 26 H SER 26 -6.402 0.645 3.736
175 HA SER 26 HA SER 26 -8.757 1.033 2.111
176 1HB SER 26 2HB SER 26 -9.865 -0.337 3.802
177 2HB SER 26 3HB SER 26 -8.327 -1.044 3.294
178 HG SER 26 HG SER 26 -8.578 -1.071 5.588
179 H TYR 27 H TYR 27 -7.567 2.576 5.039
180 HA TYR 27 HA TYR 27 -9.884 4.131 5.719
181 1HB TYR 27 2HB TYR 27 -8.229 3.847 7.347
182 2HB TYR 27 3HB TYR 27 -6.927 4.256 6.257
183 HD1 TYR 27 1HD TYR 27 -5.911 6.302 6.408
184 HD2 TYR 27 2HD TYR 27 -9.949 5.870 7.856
185 HE1 TYR 27 1HE TYR 27 -5.860 8.650 7.200
186 HE2 TYR 27 2HE TYR 27 -9.894 8.226 8.683
187 HH TYR 27 HH TYR 27 -7.021 10.331 8.264
188 H TYR 28 H TYR 28 -7.539 4.481 3.136
189 HA TYR 28 HA TYR 28 -8.773 7.076 2.291
190 1HB TYR 28 2HB TYR 28 -6.144 5.731 1.570
191 2HB TYR 28 3HB TYR 28 -6.773 7.156 0.742
192 HD1 TYR 28 1HD TYR 28 -4.996 5.981 3.681
193 HD2 TYR 28 2HD TYR 28 -7.163 9.301 1.980
194 HE1 TYR 28 1HE TYR 28 -3.949 7.513 5.333
195 HE2 TYR 28 2HE TYR 28 -6.121 10.836 3.640
196 HH TYR 28 HH TYR 28 -4.672 11.036 5.397
197 H GLN 29 H GLN 29 -9.363 3.887 1.771
198 HA GLN 29 HA GLN 29 -10.000 2.519 0.085
199 1HB GLN 29 2HB GLN 29 -11.424 5.005 -0.950
200 2HB GLN 29 3HB GLN 29 -11.800 3.328 -1.332
201 1HG GLN 29 2HG GLN 29 -13.404 3.850 0.249
202 2HG GLN 29 3HG GLN 29 -12.196 2.964 1.185
203 1HE2 GLN 29 2HE2 GLN 29 -11.566 3.975 3.107
204 2HE2 GLN 29 1HE2 GLN 29 -11.793 5.699 3.427
205 H SER 30 H SER 30 -7.415 3.455 -0.326
206 HA SER 30 HA SER 30 -7.161 3.764 -3.307
207 1HB SER 30 2HB SER 30 -5.602 5.136 -1.091
208 2HB SER 30 3HB SER 30 -5.186 5.206 -2.819
209 HG SER 30 HG SER 30 -7.612 6.117 -1.629
210 H CYS 31 H CYS 31 -6.910 1.328 -1.482
211 HA CYS 31 HA CYS 31 -4.261 0.297 -1.510
212 1HB CYS 31 2HB CYS 31 -6.870 -1.190 -1.956
213 2HB CYS 31 3HB CYS 31 -5.349 -1.850 -1.344
214 H CYS 32 H CYS 32 -3.427 -1.488 -2.924
215 HA CYS 32 HA CYS 32 -3.165 -0.819 -5.635
216 1HB CYS 32 2HB CYS 32 -3.023 -3.708 -5.262
217 2HB CYS 32 3HB CYS 32 -1.779 -2.570 -5.738
218 H THR 33 H THR 33 -3.911 -1.861 -7.584
219 HA THR 33 HA THR 33 -6.687 -1.931 -7.946
220 HB THR 33 HB THR 33 -6.144 -3.055 -10.138
221 HG1 THR 33 1HG THR 33 -3.942 -3.314 -10.578
222 1HG2 THR 33 1HG2 THR 33 -6.055 -0.578 -9.897
223 2HG2 THR 33 2HG2 THR 33 -4.338 -0.691 -9.450
224 3HG2 THR 33 3HG2 THR 33 -4.875 -1.190 -11.067
225 H ASP 34 H ASP 34 -4.607 -4.619 -7.028
226 HA ASP 34 HA ASP 34 -7.055 -6.156 -6.406
227 1HB ASP 34 2HB ASP 34 -6.077 -6.838 -8.668
228 2HB ASP 34 3HB ASP 34 -4.678 -7.458 -7.781
229 H TYR 35 H TYR 35 -5.434 -4.610 -4.672
230 HA TYR 35 HA TYR 35 -3.472 -5.583 -3.137
231 1HB TYR 35 2HB TYR 35 -4.590 -3.520 -2.608
232 2HB TYR 35 3HB TYR 35 -6.082 -4.371 -2.203
233 HD1 TYR 35 1HD TYR 35 -2.809 -3.235 -0.943
234 HD2 TYR 35 2HD TYR 35 -6.282 -5.666 -0.085
235 HE1 TYR 35 1HE TYR 35 -2.155 -3.339 1.443
236 HE2 TYR 35 2HE TYR 35 -5.611 -5.763 2.301
237 HH TYR 35 HH TYR 35 -4.093 -5.106 3.884
238 H THR 36 H THR 36 -6.838 -6.816 -2.598
239 HA THR 36 HA THR 36 -6.096 -8.529 -0.497
240 HB THR 36 HB THR 36 -8.492 -9.234 -2.157
241 HG1 THR 36 1HG THR 36 -9.586 -7.450 -1.348
242 1HG2 THR 36 1HG2 THR 36 -8.134 -10.312 0.059
243 2HG2 THR 36 2HG2 THR 36 -8.031 -8.714 0.826
244 3HG2 THR 36 3HG2 THR 36 -9.558 -9.267 0.095
245 H ALA 37 H ALA 37 -5.468 -9.101 -3.825
246 HA ALA 37 HA ALA 37 -4.777 -11.939 -3.169
247 1HB ALA 37 1HB ALA 37 -5.259 -12.542 -5.479
248 2HB ALA 37 2HB ALA 37 -6.695 -11.837 -4.708
249 3HB ALA 37 3HB ALA 37 -5.725 -10.868 -5.841
250 H GLU 38 H GLU 38 -3.567 -8.901 -4.356
251 HA GLU 38 HA GLU 38 -0.992 -10.191 -5.208
252 1HB GLU 38 2HB GLU 38 -2.393 -7.633 -6.050
253 2HB GLU 38 3HB GLU 38 -0.727 -8.007 -6.493
254 1HG GLU 38 2HG GLU 38 -3.048 -9.855 -7.188
255 2HG GLU 38 3HG GLU 38 -2.509 -8.536 -8.222
256 H CYS 39 H CYS 39 -2.261 -7.950 -2.813
257 HA CYS 39 HA CYS 39 0.538 -7.328 -2.045
258 1HB CYS 39 2HB CYS 39 -1.661 -5.434 -1.376
259 2HB CYS 39 3HB CYS 39 0.047 -5.123 -1.527
260 H LYS 40 H LYS 40 -2.359 -8.689 -1.031
261 HA LYS 40 HA LYS 40 -2.831 -8.137 1.529
262 1HB LYS 40 2HB LYS 40 -4.140 -9.615 0.179
263 2HB LYS 40 3HB LYS 40 -2.889 -10.860 0.226
264 1HG LYS 40 2HG LYS 40 -3.250 -11.221 2.617
265 2HG LYS 40 3HG LYS 40 -4.302 -9.792 2.712
266 1HD LYS 40 2HD LYS 40 -5.669 -11.801 2.720
267 2HD LYS 40 3HD LYS 40 -5.940 -10.887 1.236
268 1HE LYS 40 2HE LYS 40 -4.126 -12.479 0.196
269 2HE LYS 40 3HE LYS 40 -4.390 -13.484 1.624
270 1HZ LYS 40 1HZ LYS 40 -6.781 -13.540 0.963
271 2HZ LYS 40 2HZ LYS 40 -6.419 -12.650 -0.377
272 3HZ LYS 40 3HZ LYS 40 -5.819 -14.164 -0.209
273 HA PRO 41 HA PRO 41 0.918 -9.247 3.917
274 1HB PRO 41 2HB PRO 41 -1.126 -8.577 6.047
275 2HB PRO 41 3HB PRO 41 0.611 -8.149 5.979
276 1HG PRO 41 2HG PRO 41 -1.291 -6.322 5.331
277 2HG PRO 41 3HG PRO 41 0.203 -6.459 4.347
278 1HD PRO 41 2HD PRO 41 -2.552 -7.544 3.724
279 2HD PRO 41 3HD PRO 41 -1.366 -6.769 2.648
280 H GLN 42 H GLN 42 1.424 -11.308 4.546
281 HA GLN 42 HA GLN 42 -0.593 -13.399 4.774
282 1HB GLN 42 2HB GLN 42 2.415 -13.334 5.242
283 2HB GLN 42 3HB GLN 42 1.425 -14.800 5.405
284 1HG GLN 42 2HG GLN 42 0.731 -14.690 3.079
285 2HG GLN 42 3HG GLN 42 1.556 -13.150 2.837
286 1HE2 GLN 42 2HE2 GLN 42 1.890 -16.319 2.021
287 2HE2 GLN 42 1HE2 GLN 42 3.657 -16.372 1.989
288 H VAL 43 H VAL 43 -1.335 -14.445 6.580
289 HA VAL 43 HA VAL 43 -0.627 -13.487 9.307
290 HB VAL 43 HB VAL 43 -3.042 -13.187 9.835
291 1HG1 VAL 43 1HG1 VAL 43 -1.584 -11.242 9.372
292 2HG1 VAL 43 2HG1 VAL 43 -2.099 -11.277 7.671
293 3HG1 VAL 43 3HG1 VAL 43 -3.282 -10.958 8.952
294 1HG2 VAL 43 1HG2 VAL 43 -4.694 -12.806 8.088
295 2HG2 VAL 43 2HG2 VAL 43 -3.513 -13.178 6.821
296 3HG2 VAL 43 3HG2 VAL 43 -4.056 -14.448 7.942
297 H THR 44 H THR 44 -1.591 -14.776 11.030
298 HA THR 44 HA THR 44 -1.442 -17.582 10.744
299 HB THR 44 HB THR 44 -3.012 -16.026 12.838
300 HG1 THR 44 1HG THR 44 -1.067 -16.040 13.970
301 1HG2 THR 44 1HG2 THR 44 -2.384 -17.928 14.317
302 2HG2 THR 44 2HG2 THR 44 -3.400 -18.464 12.975
303 3HG2 THR 44 3HG2 THR 44 -1.645 -18.761 12.929
304 H ARG 45 H ARG 45 -2.801 -19.049 9.906
305 HA ARG 45 HA ARG 45 -5.733 -18.687 9.813
306 1HB ARG 45 2HB ARG 45 -4.317 -17.606 7.721
307 2HB ARG 45 3HB ARG 45 -4.327 -19.266 7.199
308 1HG ARG 45 2HG ARG 45 -6.235 -18.587 6.156
309 2HG ARG 45 3HG ARG 45 -6.987 -19.007 7.701
310 1HD ARG 45 2HD ARG 45 -6.173 -16.258 6.682
311 2HD ARG 45 3HD ARG 45 -7.806 -16.856 6.979
312 HE ARG 45 HE ARG 45 -5.784 -16.501 9.181
313 1HH1 ARG 45 1HH2 ARG 45 -9.015 -15.703 8.055
314 2HH1 ARG 45 2HH2 ARG 45 -9.419 -14.942 9.570
315 1HH2 ARG 45 1HH1 ARG 45 -6.333 -15.597 10.990
316 2HH2 ARG 45 2HH1 ARG 45 -7.915 -14.877 11.224
317 H GLY 46 H GLY 46 -6.834 -20.597 8.954
318 1HA GLY 46 2HA GLY 46 -5.461 -23.179 9.468
319 2HA GLY 46 3HA GLY 46 -7.192 -22.918 9.251
320 H ASP 47 H ASP 47 -5.109 -21.404 6.951
321 HA ASP 47 HA ASP 47 -5.172 -23.475 4.892
322 1HB ASP 47 2HB ASP 47 -7.455 -22.351 4.871
323 2HB ASP 47 3HB ASP 47 -6.644 -20.826 4.524
324 H VAL 48 H VAL 48 -4.225 -22.241 2.759
325 HA VAL 48 HA VAL 48 -1.921 -20.542 3.683
326 HB VAL 48 HB VAL 48 -0.539 -21.686 1.984
327 1HG1 VAL 48 1HG1 VAL 48 -0.090 -23.667 3.325
328 2HG1 VAL 48 2HG1 VAL 48 -0.433 -22.283 4.377
329 3HG1 VAL 48 3HG1 VAL 48 -1.671 -23.531 4.123
330 1HG2 VAL 48 1HG2 VAL 48 -2.771 -23.762 1.861
331 2HG2 VAL 48 2HG2 VAL 48 -2.328 -22.652 0.544
332 3HG2 VAL 48 3HG2 VAL 48 -1.171 -23.868 1.103
333 H PHE 49 H PHE 49 -1.011 -19.076 2.348
334 HA PHE 49 HA PHE 49 -2.166 -18.411 -0.279
335 1HB PHE 49 2HB PHE 49 -3.653 -17.185 1.194
336 2HB PHE 49 3HB PHE 49 -2.299 -16.598 2.166
337 HD1 PHE 49 1HD PHE 49 -1.191 -14.568 1.620
338 HD2 PHE 49 2HD PHE 49 -3.804 -16.410 -1.276
339 HE1 PHE 49 1HE PHE 49 -0.952 -12.588 0.147
340 HE2 PHE 49 2HE PHE 49 -3.571 -14.414 -2.744
341 HZ PHE 49 HZ PHE 49 -2.138 -12.507 -2.033
342 H THR 50 H THR 50 -0.577 -17.740 -1.596
343 HA THR 50 HA THR 50 2.017 -16.711 -0.567
344 HB THR 50 HB THR 50 3.201 -18.381 -2.022
345 HG1 THR 50 1HG THR 50 2.063 -20.230 -2.611
346 1HG2 THR 50 1HG2 THR 50 3.133 -20.230 -0.475
347 2HG2 THR 50 2HG2 THR 50 3.015 -18.721 0.443
348 3HG2 THR 50 3HG2 THR 50 1.564 -19.712 0.173
349 H MET 51 H MET 51 3.508 -16.170 -2.367
350 HA MET 51 HA MET 51 2.420 -14.160 -4.025
351 1HB MET 51 2HB MET 51 5.112 -15.581 -4.136
352 2HB MET 51 3HB MET 51 4.718 -14.112 -5.031
353 1HG MET 51 2HG MET 51 4.362 -12.872 -2.953
354 2HG MET 51 3HG MET 51 4.589 -14.347 -2.000
355 1HE MET 51 1HE MET 51 7.971 -11.985 -4.108
356 2HE MET 51 2HE MET 51 6.638 -12.705 -5.034
357 3HE MET 51 3HE MET 51 6.313 -11.394 -3.869
Start of MODEL 4
1 1H ASP 1 1H ASP 1 -5.296 3.518 -16.141
2 2H ASP 1 2H ASP 1 -4.785 4.784 -15.240
3 3H ASP 1 3H ASP 1 -4.447 4.742 -16.845
4 HA ASP 1 HA ASP 1 -3.087 2.752 -16.526
5 1HB ASP 1 2HB ASP 1 -2.267 5.244 -14.974
6 2HB ASP 1 3HB ASP 1 -1.177 3.911 -15.388
7 H GLN 2 H GLN 2 -1.764 1.546 -14.937
8 HA GLN 2 HA GLN 2 -2.883 1.307 -12.196
9 1HB GLN 2 2HB GLN 2 -2.720 -0.975 -14.219
10 2HB GLN 2 3HB GLN 2 -2.992 -1.183 -12.489
11 1HG GLN 2 2HG GLN 2 -5.092 0.164 -12.668
12 2HG GLN 2 3HG GLN 2 -4.868 0.230 -14.422
13 1HE2 GLN 2 2HE2 GLN 2 -5.275 -1.700 -15.681
14 2HE2 GLN 2 1HE2 GLN 2 -5.995 -3.124 -14.927
15 H GLU 3 H GLU 3 -1.589 -0.216 -10.881
16 HA GLU 3 HA GLU 3 1.186 -0.786 -11.742
17 1HB GLU 3 2HB GLU 3 0.506 0.608 -9.113
18 2HB GLU 3 3HB GLU 3 2.093 -0.028 -9.588
19 1HG GLU 3 2HG GLU 3 1.986 1.555 -11.593
20 2HG GLU 3 3HG GLU 3 0.621 2.342 -10.787
21 H SER 4 H SER 4 2.240 -2.262 -10.005
22 HA SER 4 HA SER 4 0.269 -4.035 -8.661
23 1HB SER 4 2HB SER 4 1.085 -6.009 -9.627
24 2HB SER 4 3HB SER 4 0.745 -4.915 -10.974
25 HG SER 4 HG SER 4 2.936 -4.539 -11.206
26 H CYS 5 H CYS 5 1.351 -5.693 -7.234
27 HA CYS 5 HA CYS 5 2.959 -4.093 -5.451
28 1HB CYS 5 2HB CYS 5 0.947 -5.635 -5.029
29 2HB CYS 5 3HB CYS 5 2.125 -6.957 -4.978
30 H LYS 6 H LYS 6 4.260 -5.951 -7.904
31 HA LYS 6 HA LYS 6 5.983 -7.699 -6.403
32 1HB LYS 6 2HB LYS 6 5.842 -6.843 -9.293
33 2HB LYS 6 3HB LYS 6 7.336 -7.576 -8.708
34 1HG LYS 6 2HG LYS 6 6.040 -9.340 -9.607
35 2HG LYS 6 3HG LYS 6 6.112 -9.534 -7.855
36 1HD LYS 6 2HD LYS 6 3.910 -10.103 -8.581
37 2HD LYS 6 3HD LYS 6 3.778 -8.577 -7.703
38 1HE LYS 6 2HE LYS 6 3.743 -7.342 -9.869
39 2HE LYS 6 3HE LYS 6 3.951 -8.866 -10.743
40 1HZ LYS 6 1HZ LYS 6 1.626 -8.193 -9.014
41 2HZ LYS 6 2HZ LYS 6 1.619 -8.213 -10.661
42 3HZ LYS 6 3HZ LYS 6 1.814 -9.599 -9.808
43 H GLY 7 H GLY 7 7.509 -7.173 -5.107
44 1HA GLY 7 2HA GLY 7 9.490 -6.280 -4.288
45 2HA GLY 7 3HA GLY 7 9.619 -5.221 -5.700
46 H ARG 8 H ARG 8 6.560 -5.057 -4.048
47 HA ARG 8 HA ARG 8 7.352 -2.466 -2.719
48 1HB ARG 8 2HB ARG 8 4.981 -3.038 -4.545
49 2HB ARG 8 3HB ARG 8 5.226 -1.559 -3.621
50 1HG ARG 8 2HG ARG 8 7.402 -1.191 -4.831
51 2HG ARG 8 3HG ARG 8 7.037 -2.614 -5.823
52 1HD ARG 8 2HD ARG 8 6.402 -0.648 -7.028
53 2HD ARG 8 3HD ARG 8 4.932 -1.543 -6.583
54 HE ARG 8 HE ARG 8 5.274 0.287 -4.500
55 1HH1 ARG 8 2HH2 ARG 8 4.710 0.604 -7.936
56 2HH1 ARG 8 1HH2 ARG 8 3.716 2.025 -7.705
57 1HH2 ARG 8 2HH1 ARG 8 4.260 2.050 -4.285
58 2HH2 ARG 8 1HH1 ARG 8 3.623 2.964 -5.665
59 H CYS 9 H CYS 9 5.104 -5.208 -2.482
60 HA CYS 9 HA CYS 9 3.269 -4.313 -0.760
61 1HB CYS 9 2HB CYS 9 4.655 -6.964 -0.285
62 2HB CYS 9 3HB CYS 9 2.957 -6.542 -0.010
63 H THR 10 H THR 10 3.059 -3.391 1.109
64 HA THR 10 HA THR 10 3.352 -2.570 3.150
65 HB THR 10 HB THR 10 5.508 -4.481 3.992
66 HG1 THR 10 1HG THR 10 4.122 -5.857 3.007
67 1HG2 THR 10 1HG2 THR 10 4.562 -2.819 5.622
68 2HG2 THR 10 2HG2 THR 10 2.944 -3.482 5.322
69 3HG2 THR 10 3HG2 THR 10 4.199 -4.491 6.074
70 H GLU 11 H GLU 11 4.921 -1.541 0.924
71 HA GLU 11 HA GLU 11 7.504 -0.681 1.717
72 1HB GLU 11 2HB GLU 11 7.197 1.097 0.021
73 2HB GLU 11 3HB GLU 11 6.914 -0.512 -0.587
74 1HG GLU 11 2HG GLU 11 4.454 -0.124 -0.526
75 2HG GLU 11 3HG GLU 11 4.713 1.446 0.244
76 H GLY 12 H GLY 12 4.572 0.421 3.084
77 1HA GLY 12 2HA GLY 12 4.314 2.087 4.728
78 2HA GLY 12 3HA GLY 12 5.778 2.908 4.217
79 H PHE 13 H PHE 13 2.701 3.341 4.441
80 HA PHE 13 HA PHE 13 1.717 4.090 1.896
81 1HB PHE 13 2HB PHE 13 0.007 3.652 3.314
82 2HB PHE 13 3HB PHE 13 0.845 4.291 4.734
83 HD1 PHE 13 1HD PHE 13 -1.594 4.987 2.102
84 HD2 PHE 13 2HD PHE 13 0.854 6.780 5.172
85 HE1 PHE 13 1HE PHE 13 -2.979 7.020 2.029
86 HE2 PHE 13 2HE PHE 13 -0.511 8.841 5.054
87 HZ PHE 13 HZ PHE 13 -2.414 8.977 3.469
88 H ASN 14 H ASN 14 1.231 5.909 0.945
89 HA ASN 14 HA ASN 14 1.514 8.569 1.935
90 1HB ASN 14 2HB ASN 14 3.882 8.359 1.376
91 2HB ASN 14 3HB ASN 14 3.482 7.612 -0.178
92 1HD2 ASN 14 2HD2 ASN 14 5.059 9.449 -0.805
93 2HD2 ASN 14 1HD2 ASN 14 4.260 10.954 -1.242
94 H VAL 15 H VAL 15 -0.431 9.243 1.189
95 HA VAL 15 HA VAL 15 -1.879 7.839 -0.805
96 HB VAL 15 HB VAL 15 -2.776 9.040 1.157
97 1HG1 VAL 15 1HG1 VAL 15 -1.626 11.152 0.972
98 2HG1 VAL 15 2HG1 VAL 15 -2.568 11.549 -0.495
99 3HG1 VAL 15 3HG1 VAL 15 -3.380 11.340 1.079
100 1HG2 VAL 15 1HG2 VAL 15 -4.205 8.100 -0.540
101 2HG2 VAL 15 2HG2 VAL 15 -4.895 9.546 0.210
102 3HG2 VAL 15 3HG2 VAL 15 -4.200 9.654 -1.421
103 H ASP 16 H ASP 16 0.468 10.301 -1.309
104 HA ASP 16 HA ASP 16 -0.489 11.196 -3.912
105 1HB ASP 16 2HB ASP 16 1.000 12.497 -2.376
106 2HB ASP 16 3HB ASP 16 2.286 11.323 -2.703
107 H LYS 17 H LYS 17 1.108 8.285 -2.871
108 HA LYS 17 HA LYS 17 2.539 7.671 -5.339
109 1HB LYS 17 2HB LYS 17 1.559 5.904 -3.050
110 2HB LYS 17 3HB LYS 17 2.557 5.330 -4.393
111 1HG LYS 17 2HG LYS 17 4.386 6.805 -3.763
112 2HG LYS 17 3HG LYS 17 3.412 7.526 -2.464
113 1HD LYS 17 2HD LYS 17 3.276 5.337 -1.319
114 2HD LYS 17 3HD LYS 17 4.187 4.580 -2.645
115 1HE LYS 17 2HE LYS 17 6.132 6.020 -2.156
116 2HE LYS 17 3HE LYS 17 5.253 6.786 -0.821
117 1HZ LYS 17 1HZ LYS 17 6.713 4.997 -0.043
118 2HZ LYS 17 2HZ LYS 17 5.162 4.581 0.275
119 3HZ LYS 17 3HZ LYS 17 5.952 3.907 -0.996
120 H LYS 18 H LYS 18 1.989 6.005 -6.876
121 HA LYS 18 HA LYS 18 -0.808 6.182 -7.729
122 1HB LYS 18 2HB LYS 18 1.751 5.275 -8.973
123 2HB LYS 18 3HB LYS 18 0.234 4.642 -9.637
124 1HG LYS 18 2HG LYS 18 0.887 6.615 -10.863
125 2HG LYS 18 3HG LYS 18 -0.590 6.958 -9.946
126 1HD LYS 18 2HD LYS 18 0.796 8.102 -8.205
127 2HD LYS 18 3HD LYS 18 2.248 7.792 -9.176
128 1HE LYS 18 2HE LYS 18 1.307 9.148 -11.016
129 2HE LYS 18 3HE LYS 18 -0.187 9.382 -10.099
130 1HZ LYS 18 1HZ LYS 18 1.128 10.544 -8.392
131 2HZ LYS 18 2HZ LYS 18 2.494 10.361 -9.270
132 3HZ LYS 18 3HZ LYS 18 1.279 11.289 -9.838
133 H CYS 19 H CYS 19 0.715 4.053 -5.689
134 HA CYS 19 HA CYS 19 -1.788 2.565 -5.447
135 1HB CYS 19 2HB CYS 19 -0.988 0.427 -5.342
136 2HB CYS 19 3HB CYS 19 -0.162 1.028 -6.772
137 H GLN 20 H GLN 20 -2.173 2.005 -3.342
138 HA GLN 20 HA GLN 20 -0.150 2.785 -1.265
139 1HB GLN 20 2HB GLN 20 -3.186 2.771 -1.181
140 2HB GLN 20 3HB GLN 20 -2.168 2.800 0.264
141 1HG GLN 20 2HG GLN 20 -2.848 5.067 -0.250
142 2HG GLN 20 3HG GLN 20 -1.096 4.877 -0.388
143 1HE2 GLN 20 2HE2 GLN 20 -0.436 6.344 -2.017
144 2HE2 GLN 20 1HE2 GLN 20 -1.249 6.426 -3.578
145 H CYS 21 H CYS 21 0.729 0.778 -2.254
146 HA CYS 21 HA CYS 21 -0.418 -1.814 -1.675
147 1HB CYS 21 2HB CYS 21 2.413 -0.887 -2.385
148 2HB CYS 21 3HB CYS 21 1.851 -2.552 -2.382
149 H ASP 22 H ASP 22 -0.653 -0.450 0.688
150 HA ASP 22 HA ASP 22 1.220 -1.674 2.611
151 1HB ASP 22 2HB ASP 22 2.233 0.493 1.791
152 2HB ASP 22 3HB ASP 22 0.797 1.342 2.389
153 H GLU 23 H GLU 23 0.614 -1.011 4.884
154 HA GLU 23 HA GLU 23 -1.788 -2.169 5.551
155 1HB GLU 23 2HB GLU 23 -0.229 -0.205 7.270
156 2HB GLU 23 3HB GLU 23 -1.271 -1.518 7.821
157 1HG GLU 23 2HG GLU 23 0.328 -3.151 6.735
158 2HG GLU 23 3HG GLU 23 1.407 -1.794 6.376
159 H LEU 24 H LEU 24 -1.282 1.366 5.264
160 HA LEU 24 HA LEU 24 -3.813 1.990 6.617
161 1HB LEU 24 2HB LEU 24 -1.731 3.735 5.257
162 2HB LEU 24 3HB LEU 24 -3.112 4.346 6.156
163 HG LEU 24 HG LEU 24 -0.856 2.677 7.339
164 1HD1 LEU 24 1HD1 LEU 24 -0.259 4.766 8.504
165 2HD1 LEU 24 2HD1 LEU 24 -0.167 4.961 6.751
166 3HD1 LEU 24 3HD1 LEU 24 -1.553 5.628 7.638
167 1HD2 LEU 24 1HD2 LEU 24 -1.863 3.324 9.532
168 2HD2 LEU 24 2HD2 LEU 24 -3.254 4.018 8.670
169 3HD2 LEU 24 3HD2 LEU 24 -2.923 2.270 8.599
170 H CYS 25 H CYS 25 -3.360 0.967 3.460
171 HA CYS 25 HA CYS 25 -4.553 3.033 1.987
172 1HB CYS 25 2HB CYS 25 -4.605 1.603 0.201
173 2HB CYS 25 3HB CYS 25 -3.262 1.005 1.189
174 H SER 26 H SER 26 -6.283 0.378 3.659
175 HA SER 26 HA SER 26 -8.791 0.686 2.411
176 1HB SER 26 2HB SER 26 -8.204 -0.178 5.264
177 2HB SER 26 3HB SER 26 -9.702 -0.496 4.362
178 HG SER 26 HG SER 26 -8.239 -2.272 4.287
179 H TYR 27 H TYR 27 -7.374 2.602 4.978
180 HA TYR 27 HA TYR 27 -9.750 4.046 5.792
181 1HB TYR 27 2HB TYR 27 -8.006 3.800 7.335
182 2HB TYR 27 3HB TYR 27 -6.776 4.242 6.180
183 HD1 TYR 27 1HD TYR 27 -5.647 6.139 6.637
184 HD2 TYR 27 2HD TYR 27 -9.827 5.922 7.679
185 HE1 TYR 27 1HE TYR 27 -5.534 8.451 7.534
186 HE2 TYR 27 2HE TYR 27 -9.711 8.230 8.610
187 HH TYR 27 HH TYR 27 -8.395 10.066 8.999
188 H TYR 28 H TYR 28 -7.750 4.284 2.972
189 HA TYR 28 HA TYR 28 -8.984 6.925 2.244
190 1HB TYR 28 2HB TYR 28 -6.381 5.615 1.376
191 2HB TYR 28 3HB TYR 28 -7.069 7.054 0.622
192 HD1 TYR 28 1HD TYR 28 -5.264 5.779 3.564
193 HD2 TYR 28 2HD TYR 28 -7.240 9.194 1.805
194 HE1 TYR 28 1HE TYR 28 -4.133 7.282 5.188
195 HE2 TYR 28 2HE TYR 28 -6.116 10.690 3.439
196 HH TYR 28 HH TYR 28 -4.675 10.829 5.219
197 H GLN 29 H GLN 29 -8.827 3.580 1.379
198 HA GLN 29 HA GLN 29 -9.615 2.284 -0.226
199 1HB GLN 29 2HB GLN 29 -11.480 4.506 -1.111
200 2HB GLN 29 3HB GLN 29 -11.599 2.785 -1.439
201 1HG GLN 29 2HG GLN 29 -13.135 3.003 0.250
202 2HG GLN 29 3HG GLN 29 -11.710 2.465 1.142
203 1HE2 GLN 29 2HE2 GLN 29 -11.358 3.666 3.030
204 2HE2 GLN 29 1HE2 GLN 29 -11.887 5.342 3.235
205 H SER 30 H SER 30 -7.615 4.704 -0.955
206 HA SER 30 HA SER 30 -7.526 4.737 -3.819
207 1HB SER 30 2HB SER 30 -5.341 5.369 -1.794
208 2HB SER 30 3HB SER 30 -5.436 5.946 -3.473
209 HG SER 30 HG SER 30 -6.189 7.524 -2.032
210 H CYS 31 H CYS 31 -6.876 2.152 -1.941
211 HA CYS 31 HA CYS 31 -4.336 1.235 -2.233
212 1HB CYS 31 2HB CYS 31 -6.604 0.383 -1.042
213 2HB CYS 31 3HB CYS 31 -6.552 -0.756 -2.400
214 H CYS 32 H CYS 32 -3.393 -0.657 -3.303
215 HA CYS 32 HA CYS 32 -3.381 -0.687 -6.141
216 1HB CYS 32 2HB CYS 32 -2.468 -3.091 -5.750
217 2HB CYS 32 3HB CYS 32 -1.525 -1.703 -5.226
218 H THR 33 H THR 33 -4.503 -1.795 -7.683
219 HA THR 33 HA THR 33 -7.241 -2.176 -7.195
220 HB THR 33 HB THR 33 -7.310 -2.969 -9.593
221 HG1 THR 33 1HG THR 33 -5.383 -2.813 -10.732
222 1HG2 THR 33 1HG2 THR 33 -5.683 -0.435 -9.092
223 2HG2 THR 33 2HG2 THR 33 -6.648 -0.819 -10.534
224 3HG2 THR 33 3HG2 THR 33 -7.451 -0.565 -8.978
225 H ASP 34 H ASP 34 -4.896 -4.535 -6.609
226 HA ASP 34 HA ASP 34 -7.043 -6.554 -6.257
227 1HB ASP 34 2HB ASP 34 -5.765 -6.883 -8.437
228 2HB ASP 34 3HB ASP 34 -4.332 -7.216 -7.456
229 H TYR 35 H TYR 35 -5.499 -4.711 -4.441
230 HA TYR 35 HA TYR 35 -3.546 -5.542 -2.882
231 1HB TYR 35 2HB TYR 35 -4.823 -3.541 -2.350
232 2HB TYR 35 3HB TYR 35 -6.235 -4.504 -1.937
233 HD1 TYR 35 1HD TYR 35 -2.920 -3.322 -0.721
234 HD2 TYR 35 2HD TYR 35 -6.464 -5.599 0.218
235 HE1 TYR 35 1HE TYR 35 -2.317 -3.266 1.673
236 HE2 TYR 35 2HE TYR 35 -5.851 -5.537 2.629
237 HH TYR 35 HH TYR 35 -2.964 -3.779 3.802
238 H THR 36 H THR 36 -6.806 -7.035 -2.342
239 HA THR 36 HA THR 36 -5.944 -8.549 -0.099
240 HB THR 36 HB THR 36 -8.065 -9.948 -0.639
241 HG1 THR 36 1HG THR 36 -9.484 -8.850 -2.013
242 1HG2 THR 36 1HG2 THR 36 -8.309 -6.949 -0.166
243 2HG2 THR 36 2HG2 THR 36 -9.446 -8.216 0.347
244 3HG2 THR 36 3HG2 THR 36 -7.827 -8.133 1.070
245 H ALA 37 H ALA 37 -5.222 -9.201 -3.365
246 HA ALA 37 HA ALA 37 -4.144 -11.868 -2.526
247 1HB ALA 37 1HB ALA 37 -4.370 -12.586 -4.863
248 2HB ALA 37 2HB ALA 37 -5.944 -12.132 -4.179
249 3HB ALA 37 3HB ALA 37 -5.102 -11.022 -5.286
250 H GLU 38 H GLU 38 -3.468 -8.776 -4.137
251 HA GLU 38 HA GLU 38 -0.737 -9.586 -4.889
252 1HB GLU 38 2HB GLU 38 -2.532 -7.208 -5.330
253 2HB GLU 38 3HB GLU 38 -0.799 -6.944 -5.429
254 1HG GLU 38 2HG GLU 38 -2.146 -9.145 -7.012
255 2HG GLU 38 3HG GLU 38 -1.996 -7.485 -7.601
256 H CYS 39 H CYS 39 -2.138 -7.316 -2.435
257 HA CYS 39 HA CYS 39 0.654 -6.765 -1.546
258 1HB CYS 39 2HB CYS 39 -1.386 -4.692 -1.128
259 2HB CYS 39 3HB CYS 39 0.301 -4.518 -1.503
260 H LYS 40 H LYS 40 -2.308 -7.952 -0.438
261 HA LYS 40 HA LYS 40 -2.723 -7.308 2.099
262 1HB LYS 40 2HB LYS 40 -4.048 -8.902 0.999
263 2HB LYS 40 3HB LYS 40 -2.734 -10.064 0.876
264 1HG LYS 40 2HG LYS 40 -2.707 -10.285 3.366
265 2HG LYS 40 3HG LYS 40 -4.069 -9.153 3.476
266 1HD LYS 40 2HD LYS 40 -4.143 -11.765 1.899
267 2HD LYS 40 3HD LYS 40 -4.568 -11.668 3.612
268 1HE LYS 40 2HE LYS 40 -6.405 -10.166 3.183
269 2HE LYS 40 3HE LYS 40 -5.932 -9.976 1.489
270 1HZ LYS 40 1HZ LYS 40 -6.796 -12.559 2.670
271 2HZ LYS 40 2HZ LYS 40 -7.765 -11.588 1.787
272 3HZ LYS 40 3HZ LYS 40 -6.458 -12.275 1.089
273 HA PRO 41 HA PRO 41 1.260 -8.224 4.149
274 1HB PRO 41 2HB PRO 41 0.777 -6.833 6.459
275 2HB PRO 41 3HB PRO 41 1.203 -6.047 4.908
276 1HG PRO 41 2HG PRO 41 -1.537 -6.365 6.147
277 2HG PRO 41 3HG PRO 41 -0.837 -4.940 5.297
278 1HD PRO 41 2HD PRO 41 -2.526 -6.734 4.099
279 2HD PRO 41 3HD PRO 41 -1.303 -5.767 3.228
280 H GLN 42 H GLN 42 1.840 -9.264 6.271
281 HA GLN 42 HA GLN 42 0.305 -11.659 6.661
282 1HB GLN 42 2HB GLN 42 2.622 -10.467 8.243
283 2HB GLN 42 3HB GLN 42 1.963 -12.097 8.486
284 1HG GLN 42 2HG GLN 42 2.478 -12.653 6.114
285 2HG GLN 42 3HG GLN 42 3.243 -11.076 5.905
286 1HE2 GLN 42 2HE2 GLN 42 4.330 -13.971 5.856
287 2HE2 GLN 42 1HE2 GLN 42 5.706 -13.875 6.956
288 H VAL 43 H VAL 43 -0.858 -12.427 8.394
289 HA VAL 43 HA VAL 43 -1.630 -10.664 10.656
290 HB VAL 43 HB VAL 43 -3.670 -12.033 8.842
291 1HG1 VAL 43 1HG1 VAL 43 -4.034 -10.237 11.285
292 2HG1 VAL 43 2HG1 VAL 43 -5.339 -10.801 10.221
293 3HG1 VAL 43 3HG1 VAL 43 -4.434 -11.968 11.174
294 1HG2 VAL 43 1HG2 VAL 43 -3.090 -9.058 9.181
295 2HG2 VAL 43 2HG2 VAL 43 -2.869 -10.022 7.703
296 3HG2 VAL 43 3HG2 VAL 43 -4.490 -9.743 8.323
297 H THR 44 H THR 44 -1.890 -11.830 12.529
298 HA THR 44 HA THR 44 -1.302 -14.716 12.493
299 HB THR 44 HB THR 44 -0.184 -13.310 14.123
300 HG1 THR 44 1HG THR 44 -0.491 -14.676 15.797
301 1HG2 THR 44 1HG2 THR 44 -2.908 -12.883 15.432
302 2HG2 THR 44 2HG2 THR 44 -1.330 -12.412 16.088
303 3HG2 THR 44 3HG2 THR 44 -1.942 -11.626 14.630
304 H ARG 45 H ARG 45 -2.514 -16.317 13.501
305 HA ARG 45 HA ARG 45 -5.430 -16.245 13.277
306 1HB ARG 45 2HB ARG 45 -4.019 -18.265 12.880
307 2HB ARG 45 3HB ARG 45 -3.532 -18.258 14.579
308 1HG ARG 45 2HG ARG 45 -5.867 -18.704 15.271
309 2HG ARG 45 3HG ARG 45 -6.402 -18.553 13.584
310 1HD ARG 45 2HD ARG 45 -6.294 -20.874 14.146
311 2HD ARG 45 3HD ARG 45 -4.994 -20.529 12.994
312 HE ARG 45 HE ARG 45 -3.769 -20.268 15.482
313 1HH1 ARG 45 1HH1 ARG 45 -5.474 -22.932 13.953
314 2HH1 ARG 45 2HH1 ARG 45 -4.600 -24.116 14.887
315 1HH2 ARG 45 2HH2 ARG 45 -2.753 -21.752 16.598
316 2HH2 ARG 45 1HH2 ARG 45 -3.075 -23.464 16.380
317 H GLY 46 H GLY 46 -3.120 -15.537 15.774
318 1HA GLY 46 2HA GLY 46 -3.850 -14.241 17.752
319 2HA GLY 46 3HA GLY 46 -5.239 -15.326 17.895
320 H ASP 47 H ASP 47 -3.490 -17.662 17.141
321 HA ASP 47 HA ASP 47 -1.428 -17.896 19.216
322 1HB ASP 47 2HB ASP 47 -3.443 -18.623 20.431
323 2HB ASP 47 3HB ASP 47 -3.864 -19.732 19.123
324 H VAL 48 H VAL 48 0.268 -18.817 18.252
325 HA VAL 48 HA VAL 48 0.073 -21.141 16.521
326 HB VAL 48 HB VAL 48 -0.353 -19.306 14.916
327 1HG1 VAL 48 1HG1 VAL 48 0.929 -17.472 15.956
328 2HG1 VAL 48 2HG1 VAL 48 2.449 -18.299 15.550
329 3HG1 VAL 48 3HG1 VAL 48 1.373 -17.723 14.264
330 1HG2 VAL 48 1HG2 VAL 48 2.352 -20.590 14.416
331 2HG2 VAL 48 2HG2 VAL 48 0.773 -21.383 14.188
332 3HG2 VAL 48 3HG2 VAL 48 1.208 -19.967 13.221
333 H PHE 49 H PHE 49 2.105 -22.238 16.352
334 HA PHE 49 HA PHE 49 3.694 -21.941 18.683
335 1HB PHE 49 2HB PHE 49 4.899 -23.840 17.953
336 2HB PHE 49 3HB PHE 49 3.207 -24.077 17.535
337 HD1 PHE 49 1HD PHE 49 6.632 -23.699 16.265
338 HD2 PHE 49 2HD PHE 49 2.480 -24.032 15.131
339 HE1 PHE 49 1HE PHE 49 7.307 -24.249 13.941
340 HE2 PHE 49 2HE PHE 49 3.162 -24.556 12.803
341 HZ PHE 49 HZ PHE 49 5.575 -24.670 12.205
342 H THR 50 H THR 50 4.258 -20.603 15.476
343 HA THR 50 HA THR 50 6.242 -18.818 16.585
344 HB THR 50 HB THR 50 7.630 -20.839 15.993
345 HG1 THR 50 1HG THR 50 9.213 -19.567 15.074
346 1HG2 THR 50 1HG2 THR 50 7.212 -20.003 13.096
347 2HG2 THR 50 2HG2 THR 50 8.196 -21.341 13.725
348 3HG2 THR 50 3HG2 THR 50 6.429 -21.415 13.830
349 H MET 51 H MET 51 6.739 -17.055 15.202
350 HA MET 51 HA MET 51 5.700 -16.775 12.526
351 1HB MET 51 2HB MET 51 3.603 -16.342 13.714
352 2HB MET 51 3HB MET 51 4.376 -15.107 14.715
353 1HG MET 51 2HG MET 51 4.698 -13.653 12.858
354 2HG MET 51 3HG MET 51 4.351 -14.929 11.683
355 1HE MET 51 1HE MET 51 2.163 -15.529 10.736
356 2HE MET 51 2HE MET 51 1.713 -16.300 12.274
357 3HE MET 51 3HE MET 51 0.582 -15.194 11.464
Start of MODEL 5
1 1H ASP 1 1H ASP 1 3.072 0.230 -17.759
2 2H ASP 1 2H ASP 1 3.498 1.757 -18.170
3 3H ASP 1 3H ASP 1 3.194 1.383 -16.597
4 HA ASP 1 HA ASP 1 1.389 2.621 -17.733
5 1HB ASP 1 2HB ASP 1 -0.049 1.441 -19.275
6 2HB ASP 1 3HB ASP 1 1.592 1.571 -19.920
7 H GLN 2 H GLN 2 1.255 -0.883 -16.833
8 HA GLN 2 HA GLN 2 -0.506 -0.135 -14.544
9 1HB GLN 2 2HB GLN 2 -1.861 -0.905 -16.493
10 2HB GLN 2 3HB GLN 2 -1.016 -2.456 -16.446
11 1HG GLN 2 2HG GLN 2 -1.888 -2.841 -14.136
12 2HG GLN 2 3HG GLN 2 -2.656 -1.252 -14.162
13 1HE2 GLN 2 2HE2 GLN 2 -4.804 -1.199 -14.873
14 2HE2 GLN 2 1HE2 GLN 2 -5.552 -2.513 -15.782
15 H GLU 3 H GLU 3 1.430 -0.221 -13.360
16 HA GLU 3 HA GLU 3 3.035 -2.617 -13.036
17 1HB GLU 3 2HB GLU 3 2.753 -0.142 -11.268
18 2HB GLU 3 3HB GLU 3 4.008 -1.377 -11.146
19 1HG GLU 3 2HG GLU 3 4.999 0.461 -12.247
20 2HG GLU 3 3HG GLU 3 4.802 -0.825 -13.431
21 H SER 4 H SER 4 3.375 -3.511 -10.719
22 HA SER 4 HA SER 4 0.923 -3.712 -9.097
23 1HB SER 4 2HB SER 4 0.759 -6.087 -9.128
24 2HB SER 4 3HB SER 4 0.728 -5.521 -10.807
25 HG SER 4 HG SER 4 2.930 -6.092 -10.981
26 H CYS 5 H CYS 5 1.360 -5.278 -7.176
27 HA CYS 5 HA CYS 5 3.266 -3.851 -5.642
28 1HB CYS 5 2HB CYS 5 1.004 -4.721 -5.025
29 2HB CYS 5 3HB CYS 5 1.712 -6.334 -4.847
30 H LYS 6 H LYS 6 4.064 -6.592 -7.512
31 HA LYS 6 HA LYS 6 5.629 -8.046 -5.551
32 1HB LYS 6 2HB LYS 6 5.531 -8.225 -8.578
33 2HB LYS 6 3HB LYS 6 6.601 -9.204 -7.563
34 1HG LYS 6 2HG LYS 6 4.857 -10.666 -7.673
35 2HG LYS 6 3HG LYS 6 4.410 -9.780 -6.217
36 1HD LYS 6 2HD LYS 6 2.427 -10.007 -7.441
37 2HD LYS 6 3HD LYS 6 2.904 -8.335 -7.753
38 1HE LYS 6 2HE LYS 6 3.991 -9.157 -9.911
39 2HE LYS 6 3HE LYS 6 3.327 -10.760 -9.560
40 1HZ LYS 6 1HZ LYS 6 1.084 -9.633 -9.514
41 2HZ LYS 6 2HZ LYS 6 1.818 -8.275 -10.088
42 3HZ LYS 6 3HZ LYS 6 1.804 -9.636 -10.994
43 H GLY 7 H GLY 7 6.944 -6.791 -4.502
44 1HA GLY 7 2HA GLY 7 9.417 -6.249 -4.438
45 2HA GLY 7 3HA GLY 7 9.129 -5.273 -5.888
46 H ARG 8 H ARG 8 6.422 -4.944 -3.901
47 HA ARG 8 HA ARG 8 7.430 -2.380 -2.687
48 1HB ARG 8 2HB ARG 8 4.796 -2.901 -4.130
49 2HB ARG 8 3HB ARG 8 5.303 -1.396 -3.378
50 1HG ARG 8 2HG ARG 8 7.230 -1.277 -4.998
51 2HG ARG 8 3HG ARG 8 6.582 -2.725 -5.793
52 1HD ARG 8 2HD ARG 8 5.877 -0.772 -7.013
53 2HD ARG 8 3HD ARG 8 4.458 -1.528 -6.256
54 HE ARG 8 HE ARG 8 4.976 0.283 -4.363
55 1HH1 ARG 8 1HH2 ARG 8 5.068 0.941 -7.815
56 2HH1 ARG 8 2HH2 ARG 8 4.757 2.635 -7.555
57 1HH2 ARG 8 1HH1 ARG 8 4.596 2.252 -4.105
58 2HH2 ARG 8 2HH1 ARG 8 4.460 3.398 -5.450
59 H CYS 9 H CYS 9 4.911 -4.928 -2.322
60 HA CYS 9 HA CYS 9 3.275 -3.895 -0.572
61 1HB CYS 9 2HB CYS 9 4.308 -6.702 -0.146
62 2HB CYS 9 3HB CYS 9 2.674 -6.077 0.092
63 H THR 10 H THR 10 3.028 -3.160 1.359
64 HA THR 10 HA THR 10 3.333 -2.397 3.427
65 HB THR 10 HB THR 10 5.579 -4.257 4.170
66 HG1 THR 10 1HG THR 10 4.183 -5.669 3.282
67 1HG2 THR 10 1HG2 THR 10 3.074 -3.308 5.645
68 2HG2 THR 10 2HG2 THR 10 4.389 -4.299 6.316
69 3HG2 THR 10 3HG2 THR 10 4.694 -2.622 5.862
70 H GLU 11 H GLU 11 4.927 -1.397 1.092
71 HA GLU 11 HA GLU 11 7.397 -0.325 2.002
72 1HB GLU 11 2HB GLU 11 7.072 1.429 0.290
73 2HB GLU 11 3HB GLU 11 6.917 -0.192 -0.331
74 1HG GLU 11 2HG GLU 11 4.467 0.006 -0.416
75 2HG GLU 11 3HG GLU 11 4.536 1.577 0.394
76 H GLY 12 H GLY 12 4.214 0.601 2.982
77 1HA GLY 12 2HA GLY 12 3.753 2.046 4.823
78 2HA GLY 12 3HA GLY 12 5.242 2.949 4.523
79 H PHE 13 H PHE 13 2.638 4.027 4.893
80 HA PHE 13 HA PHE 13 1.245 4.597 2.465
81 1HB PHE 13 2HB PHE 13 0.100 4.541 4.534
82 2HB PHE 13 3HB PHE 13 1.208 5.704 5.285
83 HD1 PHE 13 1HD PHE 13 -1.353 5.321 2.573
84 HD2 PHE 13 2HD PHE 13 0.694 8.004 5.270
85 HE1 PHE 13 1HE PHE 13 -2.937 7.145 1.985
86 HE2 PHE 13 2HE PHE 13 -0.867 9.835 4.643
87 HZ PHE 13 HZ PHE 13 -2.689 9.400 3.017
88 H ASN 14 H ASN 14 1.257 6.196 1.065
89 HA ASN 14 HA ASN 14 2.043 8.885 1.610
90 1HB ASN 14 2HB ASN 14 4.341 7.991 1.253
91 2HB ASN 14 3HB ASN 14 3.857 7.373 -0.332
92 1HD2 ASN 14 2HD2 ASN 14 6.012 9.046 -0.231
93 2HD2 ASN 14 1HD2 ASN 14 5.557 10.626 -0.867
94 H VAL 15 H VAL 15 -0.105 9.199 0.944
95 HA VAL 15 HA VAL 15 -1.335 7.943 -1.194
96 HB VAL 15 HB VAL 15 -2.317 9.036 0.787
97 1HG1 VAL 15 1HG1 VAL 15 -3.314 11.170 0.702
98 2HG1 VAL 15 2HG1 VAL 15 -1.564 11.340 0.499
99 3HG1 VAL 15 3HG1 VAL 15 -2.638 11.490 -0.919
100 1HG2 VAL 15 1HG2 VAL 15 -3.857 9.326 -1.772
101 2HG2 VAL 15 2HG2 VAL 15 -3.596 7.821 -0.849
102 3HG2 VAL 15 3HG2 VAL 15 -4.499 9.155 -0.122
103 H ASP 16 H ASP 16 0.969 10.300 -1.728
104 HA ASP 16 HA ASP 16 -0.021 11.360 -4.253
105 1HB ASP 16 2HB ASP 16 1.737 12.429 -2.860
106 2HB ASP 16 3HB ASP 16 2.800 11.048 -3.179
107 H LYS 17 H LYS 17 1.575 8.350 -3.286
108 HA LYS 17 HA LYS 17 2.640 7.665 -5.890
109 1HB LYS 17 2HB LYS 17 2.123 5.906 -3.448
110 2HB LYS 17 3HB LYS 17 3.022 5.428 -4.894
111 1HG LYS 17 2HG LYS 17 4.607 7.378 -4.439
112 2HG LYS 17 3HG LYS 17 3.802 7.554 -2.861
113 1HD LYS 17 2HD LYS 17 4.325 5.115 -2.411
114 2HD LYS 17 3HD LYS 17 5.231 5.084 -3.942
115 1HE LYS 17 2HE LYS 17 6.646 6.998 -3.007
116 2HE LYS 17 3HE LYS 17 5.838 6.710 -1.451
117 1HZ LYS 17 1HZ LYS 17 7.811 5.403 -1.430
118 2HZ LYS 17 2HZ LYS 17 6.610 4.312 -1.742
119 3HZ LYS 17 3HZ LYS 17 7.574 4.828 -2.942
120 H LYS 18 H LYS 18 2.116 5.967 -7.241
121 HA LYS 18 HA LYS 18 -0.580 5.854 -8.151
122 1HB LYS 18 2HB LYS 18 1.990 4.456 -8.892
123 2HB LYS 18 3HB LYS 18 0.470 3.844 -9.542
124 1HG LYS 18 2HG LYS 18 1.380 5.321 -11.156
125 2HG LYS 18 3HG LYS 18 -0.048 6.103 -10.453
126 1HD LYS 18 2HD LYS 18 1.451 7.483 -9.015
127 2HD LYS 18 3HD LYS 18 2.867 6.702 -9.754
128 1HE LYS 18 2HE LYS 18 2.166 7.542 -11.979
129 2HE LYS 18 3HE LYS 18 0.735 8.291 -11.257
130 1HZ LYS 18 1HZ LYS 18 3.546 9.026 -10.619
131 2HZ LYS 18 2HZ LYS 18 2.525 9.904 -11.538
132 3HZ LYS 18 3HZ LYS 18 2.222 9.715 -9.948
133 H CYS 19 H CYS 19 0.969 3.773 -5.830
134 HA CYS 19 HA CYS 19 -1.672 2.513 -5.394
135 1HB CYS 19 2HB CYS 19 -0.897 0.350 -5.057
136 2HB CYS 19 3HB CYS 19 -0.222 0.814 -6.621
137 H GLN 20 H GLN 20 -2.149 2.149 -3.301
138 HA GLN 20 HA GLN 20 -0.148 2.930 -1.214
139 1HB GLN 20 2HB GLN 20 -3.172 2.757 -1.074
140 2HB GLN 20 3HB GLN 20 -2.089 3.174 0.272
141 1HG GLN 20 2HG GLN 20 -2.626 4.787 -2.242
142 2HG GLN 20 3HG GLN 20 -2.908 5.248 -0.557
143 1HE2 GLN 20 2HE2 GLN 20 -0.812 5.819 -3.134
144 2HE2 GLN 20 1HE2 GLN 20 0.510 6.407 -2.122
145 H CYS 21 H CYS 21 0.834 1.008 -1.978
146 HA CYS 21 HA CYS 21 -0.292 -1.637 -1.517
147 1HB CYS 21 2HB CYS 21 2.494 -0.604 -2.223
148 2HB CYS 21 3HB CYS 21 2.050 -2.301 -2.083
149 H ASP 22 H ASP 22 -0.689 -0.367 0.825
150 HA ASP 22 HA ASP 22 1.209 -1.481 2.809
151 1HB ASP 22 2HB ASP 22 1.625 0.687 3.809
152 2HB ASP 22 3HB ASP 22 2.068 0.761 2.103
153 H GLU 23 H GLU 23 0.492 -0.543 5.069
154 HA GLU 23 HA GLU 23 -1.830 -1.991 5.741
155 1HB GLU 23 2HB GLU 23 -0.302 0.030 7.426
156 2HB GLU 23 3HB GLU 23 -1.315 -1.293 8.011
157 1HG GLU 23 2HG GLU 23 0.276 -2.921 6.920
158 2HG GLU 23 3HG GLU 23 1.328 -1.565 6.504
159 H LEU 24 H LEU 24 -1.721 1.433 4.874
160 HA LEU 24 HA LEU 24 -4.177 2.009 6.502
161 1HB LEU 24 2HB LEU 24 -2.231 3.900 5.152
162 2HB LEU 24 3HB LEU 24 -3.599 4.345 6.167
163 HG LEU 24 HG LEU 24 -1.078 2.898 7.070
164 1HD1 LEU 24 1HD1 LEU 24 -2.243 5.615 7.816
165 2HD1 LEU 24 2HD1 LEU 24 -0.712 4.919 8.393
166 3HD1 LEU 24 3HD1 LEU 24 -0.900 5.355 6.688
167 1HD2 LEU 24 1HD2 LEU 24 -2.936 2.004 8.390
168 2HD2 LEU 24 2HD2 LEU 24 -2.014 3.138 9.376
169 3HD2 LEU 24 3HD2 LEU 24 -3.567 3.644 8.673
170 H CYS 25 H CYS 25 -3.419 1.316 3.227
171 HA CYS 25 HA CYS 25 -5.117 3.137 1.904
172 1HB CYS 25 2HB CYS 25 -4.852 1.820 0.033
173 2HB CYS 25 3HB CYS 25 -3.405 1.497 1.002
174 H SER 26 H SER 26 -6.023 0.214 3.644
175 HA SER 26 HA SER 26 -8.675 -0.133 2.658
176 1HB SER 26 2HB SER 26 -7.294 -1.765 3.976
177 2HB SER 26 3HB SER 26 -7.617 -0.800 5.431
178 HG SER 26 HG SER 26 -9.090 -2.565 5.154
179 H TYR 27 H TYR 27 -7.392 2.260 4.841
180 HA TYR 27 HA TYR 27 -10.090 3.234 5.647
181 1HB TYR 27 2HB TYR 27 -8.711 3.345 7.488
182 2HB TYR 27 3HB TYR 27 -7.267 3.677 6.557
183 HD1 TYR 27 1HD TYR 27 -6.467 5.840 6.213
184 HD2 TYR 27 2HD TYR 27 -10.463 5.272 7.728
185 HE1 TYR 27 1HE TYR 27 -6.687 8.293 6.519
186 HE2 TYR 27 2HE TYR 27 -10.666 7.736 8.091
187 HH TYR 27 HH TYR 27 -8.027 10.012 7.253
188 H TYR 28 H TYR 28 -7.182 4.342 3.795
189 HA TYR 28 HA TYR 28 -8.426 6.800 2.953
190 1HB TYR 28 2HB TYR 28 -5.933 5.307 2.111
191 2HB TYR 28 3HB TYR 28 -6.440 6.797 1.313
192 HD1 TYR 28 1HD TYR 28 -4.660 5.462 4.142
193 HD2 TYR 28 2HD TYR 28 -6.765 8.919 2.658
194 HE1 TYR 28 1HE TYR 28 -3.535 6.874 5.852
195 HE2 TYR 28 2HE TYR 28 -5.611 10.342 4.349
196 HH TYR 28 HH TYR 28 -3.287 8.985 6.717
197 H GLN 29 H GLN 29 -8.992 3.668 1.727
198 HA GLN 29 HA GLN 29 -10.020 2.804 -0.063
199 1HB GLN 29 2HB GLN 29 -11.243 5.507 -0.689
200 2HB GLN 29 3HB GLN 29 -11.854 3.904 -1.084
201 1HG GLN 29 2HG GLN 29 -11.774 5.260 1.627
202 2HG GLN 29 3HG GLN 29 -13.194 4.779 0.696
203 1HE2 GLN 29 2HE2 GLN 29 -11.547 3.978 3.392
204 2HE2 GLN 29 1HE2 GLN 29 -11.719 2.222 3.386
205 H SER 30 H SER 30 -7.401 3.552 -0.425
206 HA SER 30 HA SER 30 -7.176 4.398 -3.290
207 1HB SER 30 2HB SER 30 -5.075 5.527 -2.501
208 2HB SER 30 3HB SER 30 -6.564 6.161 -1.764
209 HG SER 30 HG SER 30 -4.996 5.787 -0.170
210 H CYS 31 H CYS 31 -7.023 1.614 -1.839
211 HA CYS 31 HA CYS 31 -4.393 0.589 -2.023
212 1HB CYS 31 2HB CYS 31 -7.022 -0.874 -2.465
213 2HB CYS 31 3HB CYS 31 -5.472 -1.566 -1.973
214 H CYS 32 H CYS 32 -3.548 -1.053 -3.476
215 HA CYS 32 HA CYS 32 -3.662 -0.542 -6.302
216 1HB CYS 32 2HB CYS 32 -2.644 -3.022 -6.226
217 2HB CYS 32 3HB CYS 32 -1.700 -1.596 -5.810
218 H THR 33 H THR 33 -4.379 -2.048 -7.962
219 HA THR 33 HA THR 33 -7.147 -2.289 -7.916
220 HB THR 33 HB THR 33 -6.857 -3.579 -10.069
221 HG1 THR 33 1HG THR 33 -4.747 -3.788 -10.819
222 1HG2 THR 33 1HG2 THR 33 -5.146 -1.063 -9.818
223 2HG2 THR 33 2HG2 THR 33 -5.859 -1.725 -11.304
224 3HG2 THR 33 3HG2 THR 33 -6.910 -1.096 -10.027
225 H ASP 34 H ASP 34 -4.928 -4.803 -6.914
226 HA ASP 34 HA ASP 34 -7.272 -6.457 -6.172
227 1HB ASP 34 2HB ASP 34 -6.279 -7.201 -8.403
228 2HB ASP 34 3HB ASP 34 -4.828 -7.672 -7.506
229 H TYR 35 H TYR 35 -5.574 -4.701 -4.659
230 HA TYR 35 HA TYR 35 -3.608 -5.402 -3.081
231 1HB TYR 35 2HB TYR 35 -4.836 -3.403 -2.758
232 2HB TYR 35 3HB TYR 35 -6.278 -4.280 -2.238
233 HD1 TYR 35 1HD TYR 35 -2.900 -3.109 -1.225
234 HD2 TYR 35 2HD TYR 35 -6.533 -5.065 0.050
235 HE1 TYR 35 1HE TYR 35 -2.292 -2.693 1.133
236 HE2 TYR 35 2HE TYR 35 -5.919 -4.628 2.423
237 HH TYR 35 HH TYR 35 -3.055 -2.659 3.267
238 H THR 36 H THR 36 -6.838 -6.747 -2.116
239 HA THR 36 HA THR 36 -5.717 -8.136 0.061
240 HB THR 36 HB THR 36 -8.271 -9.125 -1.185
241 HG1 THR 36 1HG THR 36 -9.331 -7.338 -0.329
242 1HG2 THR 36 1HG2 THR 36 -7.391 -8.415 1.660
243 2HG2 THR 36 2HG2 THR 36 -9.000 -9.031 1.213
244 3HG2 THR 36 3HG2 THR 36 -7.573 -10.051 1.008
245 H ALA 37 H ALA 37 -5.408 -9.071 -3.210
246 HA ALA 37 HA ALA 37 -4.555 -11.805 -2.321
247 1HB ALA 37 1HB ALA 37 -5.711 -10.992 -5.014
248 2HB ALA 37 2HB ALA 37 -5.147 -12.613 -4.558
249 3HB ALA 37 3HB ALA 37 -6.560 -11.908 -3.746
250 H GLU 38 H GLU 38 -3.703 -8.960 -4.292
251 HA GLU 38 HA GLU 38 -1.098 -10.216 -5.036
252 1HB GLU 38 2HB GLU 38 -2.655 -7.812 -6.038
253 2HB GLU 38 3HB GLU 38 -0.983 -8.117 -6.517
254 1HG GLU 38 2HG GLU 38 -3.217 -10.141 -6.936
255 2HG GLU 38 3HG GLU 38 -2.744 -8.933 -8.128
256 H CYS 39 H CYS 39 -2.287 -7.659 -2.905
257 HA CYS 39 HA CYS 39 0.530 -6.783 -2.497
258 1HB CYS 39 2HB CYS 39 -1.763 -5.018 -1.857
259 2HB CYS 39 3HB CYS 39 -0.129 -4.571 -2.194
260 H LYS 40 H LYS 40 -2.034 -8.238 -0.861
261 HA LYS 40 HA LYS 40 -2.503 -7.218 1.473
262 1HB LYS 40 2HB LYS 40 -3.306 -9.392 0.656
263 2HB LYS 40 3HB LYS 40 -1.834 -10.156 1.254
264 1HG LYS 40 2HG LYS 40 -2.449 -9.141 3.566
265 2HG LYS 40 3HG LYS 40 -4.024 -8.765 2.849
266 1HD LYS 40 2HD LYS 40 -2.755 -11.520 3.186
267 2HD LYS 40 3HD LYS 40 -4.093 -10.846 4.129
268 1HE LYS 40 2HE LYS 40 -5.489 -10.745 2.071
269 2HE LYS 40 3HE LYS 40 -4.164 -11.460 1.147
270 1HZ LYS 40 1HZ LYS 40 -5.565 -12.784 3.407
271 2HZ LYS 40 2HZ LYS 40 -5.757 -13.143 1.827
272 3HZ LYS 40 3HZ LYS 40 -4.329 -13.440 2.559
273 HA PRO 41 HA PRO 41 1.625 -6.657 3.288
274 1HB PRO 41 2HB PRO 41 1.086 -4.520 4.885
275 2HB PRO 41 3HB PRO 41 1.076 -4.396 3.102
276 1HG PRO 41 2HG PRO 41 -1.298 -4.806 4.949
277 2HG PRO 41 3HG PRO 41 -1.090 -3.588 3.643
278 1HD PRO 41 2HD PRO 41 -2.396 -5.950 3.248
279 2HD PRO 41 3HD PRO 41 -1.433 -5.156 1.964
280 H GLN 42 H GLN 42 2.188 -6.076 5.831
281 HA GLN 42 HA GLN 42 1.803 -8.343 7.422
282 1HB GLN 42 2HB GLN 42 3.226 -5.953 7.596
283 2HB GLN 42 3HB GLN 42 2.090 -5.801 8.937
284 1HG GLN 42 2HG GLN 42 4.087 -8.058 8.447
285 2HG GLN 42 3HG GLN 42 4.221 -6.782 9.656
286 1HE2 GLN 42 2HE2 GLN 42 2.706 -6.855 11.545
287 2HE2 GLN 42 1HE2 GLN 42 1.789 -8.336 11.849
288 H VAL 43 H VAL 43 0.569 -8.774 9.325
289 HA VAL 43 HA VAL 43 -2.098 -7.423 9.552
290 HB VAL 43 HB VAL 43 -1.548 -10.422 9.511
291 1HG1 VAL 43 1HG1 VAL 43 -3.441 -9.926 10.990
292 2HG1 VAL 43 2HG1 VAL 43 -4.177 -8.888 9.743
293 3HG1 VAL 43 3HG1 VAL 43 -4.028 -10.640 9.494
294 1HG2 VAL 43 1HG2 VAL 43 -1.428 -9.545 7.233
295 2HG2 VAL 43 2HG2 VAL 43 -2.937 -10.425 7.439
296 3HG2 VAL 43 3HG2 VAL 43 -2.945 -8.646 7.461
297 H THR 44 H THR 44 -2.940 -7.270 11.598
298 HA THR 44 HA THR 44 -1.620 -8.603 13.887
299 HB THR 44 HB THR 44 -1.389 -6.630 15.188
300 HG1 THR 44 1HG THR 44 -1.836 -4.567 14.237
301 1HG2 THR 44 1HG2 THR 44 0.509 -7.047 13.614
302 2HG2 THR 44 2HG2 THR 44 -0.211 -5.875 12.487
303 3HG2 THR 44 3HG2 THR 44 0.332 -5.354 14.095
304 H ARG 45 H ARG 45 -2.854 -8.264 15.917
305 HA ARG 45 HA ARG 45 -5.682 -8.696 15.728
306 1HB ARG 45 2HB ARG 45 -3.620 -8.802 17.732
307 2HB ARG 45 3HB ARG 45 -4.813 -7.669 18.331
308 1HG ARG 45 2HG ARG 45 -5.441 -9.772 19.178
309 2HG ARG 45 3HG ARG 45 -6.590 -9.451 17.862
310 1HD ARG 45 2HD ARG 45 -5.223 -10.908 16.355
311 2HD ARG 45 3HD ARG 45 -4.076 -11.173 17.683
312 HE ARG 45 HE ARG 45 -6.820 -11.876 18.377
313 1HH1 ARG 45 1HH2 ARG 45 -3.919 -13.191 16.844
314 2HH1 ARG 45 2HH2 ARG 45 -4.391 -14.829 17.228
315 1HH2 ARG 45 1HH1 ARG 45 -7.322 -13.987 18.808
316 2HH2 ARG 45 2HH1 ARG 45 -6.257 -15.262 18.294
317 H GLY 46 H GLY 46 -4.003 -5.752 15.475
318 1HA GLY 46 2HA GLY 46 -4.752 -3.572 15.263
319 2HA GLY 46 3HA GLY 46 -6.397 -4.092 15.637
320 H ASP 47 H ASP 47 -6.241 -5.159 18.138
321 HA ASP 47 HA ASP 47 -5.781 -2.904 19.874
322 1HB ASP 47 2HB ASP 47 -7.626 -4.596 20.110
323 2HB ASP 47 3HB ASP 47 -6.417 -5.802 20.551
324 H VAL 48 H VAL 48 -3.824 -5.325 18.859
325 HA VAL 48 HA VAL 48 -1.495 -4.481 20.416
326 HB VAL 48 HB VAL 48 -0.765 -6.785 21.001
327 1HG1 VAL 48 1HG1 VAL 48 -3.342 -6.052 22.420
328 2HG1 VAL 48 2HG1 VAL 48 -1.992 -7.016 23.047
329 3HG1 VAL 48 3HG1 VAL 48 -1.760 -5.292 22.710
330 1HG2 VAL 48 1HG2 VAL 48 -2.352 -8.620 21.198
331 2HG2 VAL 48 2HG2 VAL 48 -3.644 -7.633 20.493
332 3HG2 VAL 48 3HG2 VAL 48 -2.234 -8.106 19.512
333 H PHE 49 H PHE 49 0.527 -5.312 19.538
334 HA PHE 49 HA PHE 49 0.515 -5.331 16.657
335 1HB PHE 49 2HB PHE 49 2.817 -5.823 18.579
336 2HB PHE 49 3HB PHE 49 2.936 -5.333 16.885
337 HD1 PHE 49 1HD PHE 49 1.628 -3.085 16.258
338 HD2 PHE 49 2HD PHE 49 2.959 -4.139 20.227
339 HE1 PHE 49 1HE PHE 49 1.528 -0.694 16.930
340 HE2 PHE 49 2HE PHE 49 2.860 -1.748 20.891
341 HZ PHE 49 HZ PHE 49 2.142 -0.024 19.246
342 H THR 50 H THR 50 0.344 -7.962 18.893
343 HA THR 50 HA THR 50 1.565 -10.084 17.461
344 HB THR 50 HB THR 50 -1.032 -10.259 19.039
345 HG1 THR 50 1HG THR 50 0.309 -10.489 20.856
346 1HG2 THR 50 1HG2 THR 50 -0.345 -12.394 18.027
347 2HG2 THR 50 2HG2 THR 50 1.298 -12.203 18.682
348 3HG2 THR 50 3HG2 THR 50 -0.086 -12.449 19.770
349 H MET 51 H MET 51 0.768 -11.541 15.888
350 HA MET 51 HA MET 51 -0.978 -10.646 13.828
351 1HB MET 51 2HB MET 51 0.012 -13.416 14.580
352 2HB MET 51 3HB MET 51 -0.987 -13.088 13.158
353 1HG MET 51 2HG MET 51 0.671 -11.492 12.307
354 2HG MET 51 3HG MET 51 1.714 -11.806 13.708
355 1HE MET 51 1HE MET 51 3.580 -13.388 10.599
356 2HE MET 51 2HE MET 51 2.493 -11.986 10.545
357 3HE MET 51 3HE MET 51 3.649 -12.161 11.885
Start of MODEL 6
1 1H ASP 1 1H ASP 1 -6.726 4.574 -15.106
2 2H ASP 1 2H ASP 1 -7.041 3.948 -16.590
3 3H ASP 1 3H ASP 1 -7.483 3.127 -15.233
4 HA ASP 1 HA ASP 1 -5.559 2.075 -16.139
5 1HB ASP 1 2HB ASP 1 -4.335 4.865 -16.005
6 2HB ASP 1 3HB ASP 1 -3.421 3.374 -16.289
7 H GLN 2 H GLN 2 -4.026 1.094 -14.794
8 HA GLN 2 HA GLN 2 -3.690 2.042 -11.999
9 1HB GLN 2 2HB GLN 2 -4.989 -0.548 -12.915
10 2HB GLN 2 3HB GLN 2 -4.190 -0.437 -11.353
11 1HG GLN 2 2HG GLN 2 -6.470 1.409 -12.180
12 2HG GLN 2 3HG GLN 2 -6.674 -0.090 -11.289
13 1HE2 GLN 2 2HE2 GLN 2 -5.690 -0.282 -9.135
14 2HE2 GLN 2 1HE2 GLN 2 -5.432 1.200 -8.195
15 H GLU 3 H GLU 3 -2.157 0.421 -10.817
16 HA GLU 3 HA GLU 3 0.034 -0.526 -12.589
17 1HB GLU 3 2HB GLU 3 0.263 1.955 -12.033
18 2HB GLU 3 3HB GLU 3 0.462 1.478 -10.338
19 1HG GLU 3 2HG GLU 3 2.465 0.135 -10.994
20 2HG GLU 3 3HG GLU 3 2.224 0.610 -12.677
21 H SER 4 H SER 4 1.261 -2.160 -11.724
22 HA SER 4 HA SER 4 0.045 -3.772 -9.696
23 1HB SER 4 2HB SER 4 1.192 -4.672 -11.668
24 2HB SER 4 3HB SER 4 2.745 -4.037 -11.075
25 HG SER 4 HG SER 4 2.223 -6.321 -10.605
26 H CYS 5 H CYS 5 0.762 -4.489 -7.687
27 HA CYS 5 HA CYS 5 2.479 -2.785 -6.078
28 1HB CYS 5 2HB CYS 5 0.437 -3.970 -5.382
29 2HB CYS 5 3HB CYS 5 1.249 -5.532 -5.580
30 H LYS 6 H LYS 6 3.331 -5.272 -8.291
31 HA LYS 6 HA LYS 6 5.070 -6.783 -6.646
32 1HB LYS 6 2HB LYS 6 3.991 -7.210 -9.051
33 2HB LYS 6 3HB LYS 6 5.527 -6.589 -9.631
34 1HG LYS 6 2HG LYS 6 5.639 -8.986 -9.537
35 2HG LYS 6 3HG LYS 6 6.712 -8.339 -8.287
36 1HD LYS 6 2HD LYS 6 5.434 -10.341 -7.557
37 2HD LYS 6 3HD LYS 6 5.117 -8.945 -6.533
38 1HE LYS 6 2HE LYS 6 2.985 -8.528 -7.780
39 2HE LYS 6 3HE LYS 6 3.318 -9.938 -8.794
40 1HZ LYS 6 1HZ LYS 6 2.864 -9.991 -5.857
41 2HZ LYS 6 2HZ LYS 6 1.810 -10.501 -6.999
42 3HZ LYS 6 3HZ LYS 6 3.212 -11.308 -6.770
43 H GLY 7 H GLY 7 6.650 -6.017 -5.567
44 1HA GLY 7 2HA GLY 7 9.045 -5.410 -5.552
45 2HA GLY 7 3HA GLY 7 8.687 -4.156 -6.748
46 H ARG 8 H ARG 8 6.087 -3.993 -4.715
47 HA ARG 8 HA ARG 8 7.353 -1.916 -2.934
48 1HB ARG 8 2HB ARG 8 4.801 -1.768 -4.596
49 2HB ARG 8 3HB ARG 8 5.305 -0.566 -3.407
50 1HG ARG 8 2HG ARG 8 7.449 -0.253 -4.670
51 2HG ARG 8 3HG ARG 8 6.808 -1.301 -5.945
52 1HD ARG 8 2HD ARG 8 5.479 1.268 -4.978
53 2HD ARG 8 3HD ARG 8 6.582 1.132 -6.363
54 HE ARG 8 HE ARG 8 4.348 -0.710 -6.566
55 1HH1 ARG 8 1HH2 ARG 8 5.228 2.653 -7.266
56 2HH1 ARG 8 2HH2 ARG 8 4.060 2.686 -8.591
57 1HH2 ARG 8 1HH1 ARG 8 2.938 -0.435 -8.313
58 2HH2 ARG 8 2HH1 ARG 8 2.862 1.173 -9.042
59 H CYS 9 H CYS 9 4.706 -4.273 -3.101
60 HA CYS 9 HA CYS 9 3.050 -3.731 -1.174
61 1HB CYS 9 2HB CYS 9 4.379 -6.451 -1.255
62 2HB CYS 9 3HB CYS 9 2.705 -6.065 -0.835
63 H THR 10 H THR 10 2.861 -3.131 0.805
64 HA THR 10 HA THR 10 3.116 -2.683 2.955
65 HB THR 10 HB THR 10 5.131 -4.879 3.430
66 HG1 THR 10 1HG THR 10 3.550 -5.834 2.200
67 1HG2 THR 10 1HG2 THR 10 3.749 -5.193 5.491
68 2HG2 THR 10 2HG2 THR 10 4.463 -3.583 5.423
69 3HG2 THR 10 3HG2 THR 10 2.752 -3.798 5.017
70 H GLU 11 H GLU 11 4.950 -1.432 0.966
71 HA GLU 11 HA GLU 11 7.468 -0.861 2.180
72 1HB GLU 11 2HB GLU 11 7.489 1.111 0.707
73 2HB GLU 11 3HB GLU 11 7.201 -0.377 -0.150
74 1HG GLU 11 2HG GLU 11 4.885 0.208 -0.578
75 2HG GLU 11 3HG GLU 11 4.888 1.415 0.703
76 H GLY 12 H GLY 12 4.420 0.247 3.286
77 1HA GLY 12 2HA GLY 12 4.069 1.742 5.102
78 2HA GLY 12 3HA GLY 12 5.575 2.592 4.754
79 H PHE 13 H PHE 13 2.634 3.378 4.917
80 HA PHE 13 HA PHE 13 1.608 3.969 2.348
81 1HB PHE 13 2HB PHE 13 0.250 3.669 4.311
82 2HB PHE 13 3HB PHE 13 1.029 5.034 5.128
83 HD1 PHE 13 1HD PHE 13 -1.348 3.996 2.464
84 HD2 PHE 13 2HD PHE 13 0.319 7.295 4.704
85 HE1 PHE 13 1HE PHE 13 -3.203 5.459 1.705
86 HE2 PHE 13 2HE PHE 13 -1.523 8.759 3.903
87 HZ PHE 13 HZ PHE 13 -3.263 7.835 2.398
88 H ASN 14 H ASN 14 1.459 5.750 1.083
89 HA ASN 14 HA ASN 14 2.396 8.390 1.850
90 1HB ASN 14 2HB ASN 14 4.554 7.332 1.251
91 2HB ASN 14 3HB ASN 14 3.907 6.870 -0.330
92 1HD2 ASN 14 2HD2 ASN 14 6.203 8.315 -0.313
93 2HD2 ASN 14 1HD2 ASN 14 5.865 9.970 -0.819
94 H VAL 15 H VAL 15 0.336 9.063 1.385
95 HA VAL 15 HA VAL 15 -1.287 8.092 -0.624
96 HB VAL 15 HB VAL 15 -1.800 9.393 1.511
97 1HG1 VAL 15 1HG1 VAL 15 -2.555 11.611 1.372
98 2HG1 VAL 15 2HG1 VAL 15 -0.842 11.559 0.922
99 3HG1 VAL 15 3HG1 VAL 15 -2.089 11.744 -0.342
100 1HG2 VAL 15 1HG2 VAL 15 -4.075 9.737 0.793
101 2HG2 VAL 15 2HG2 VAL 15 -3.587 9.705 -0.914
102 3HG2 VAL 15 3HG2 VAL 15 -3.429 8.245 0.095
103 H ASP 16 H ASP 16 1.243 10.270 -1.271
104 HA ASP 16 HA ASP 16 0.147 11.508 -3.659
105 1HB ASP 16 2HB ASP 16 2.060 12.390 -2.338
106 2HB ASP 16 3HB ASP 16 3.018 10.985 -2.837
107 H LYS 17 H LYS 17 1.584 8.340 -3.007
108 HA LYS 17 HA LYS 17 2.451 7.790 -5.716
109 1HB LYS 17 2HB LYS 17 1.995 5.981 -3.299
110 2HB LYS 17 3HB LYS 17 2.605 5.406 -4.861
111 1HG LYS 17 2HG LYS 17 4.465 7.093 -4.714
112 2HG LYS 17 3HG LYS 17 3.941 7.467 -3.056
113 1HD LYS 17 2HD LYS 17 4.363 5.140 -2.372
114 2HD LYS 17 3HD LYS 17 4.743 4.691 -4.054
115 1HE LYS 17 2HE LYS 17 6.616 6.366 -4.034
116 2HE LYS 17 3HE LYS 17 6.289 6.662 -2.314
117 1HZ LYS 17 1HZ LYS 17 8.052 5.016 -2.588
118 2HZ LYS 17 2HZ LYS 17 6.748 4.283 -1.911
119 3HZ LYS 17 3HZ LYS 17 7.080 4.043 -3.479
120 H LYS 18 H LYS 18 1.712 6.351 -7.223
121 HA LYS 18 HA LYS 18 -1.038 6.432 -7.868
122 1HB LYS 18 2HB LYS 18 0.695 6.276 -9.546
123 2HB LYS 18 3HB LYS 18 1.209 4.696 -8.944
124 1HG LYS 18 2HG LYS 18 -0.047 4.488 -11.026
125 2HG LYS 18 3HG LYS 18 -0.906 3.697 -9.700
126 1HD LYS 18 2HD LYS 18 -2.326 5.819 -9.497
127 2HD LYS 18 3HD LYS 18 -1.545 6.399 -10.980
128 1HE LYS 18 2HE LYS 18 -2.362 4.432 -12.209
129 2HE LYS 18 3HE LYS 18 -3.013 3.737 -10.716
130 1HZ LYS 18 1HZ LYS 18 -4.731 4.807 -12.032
131 2HZ LYS 18 2HZ LYS 18 -4.585 5.555 -10.588
132 3HZ LYS 18 3HZ LYS 18 -3.979 6.262 -11.940
133 H CYS 19 H CYS 19 0.666 3.985 -6.006
134 HA CYS 19 HA CYS 19 -1.999 2.746 -5.482
135 1HB CYS 19 2HB CYS 19 -1.148 0.596 -5.256
136 2HB CYS 19 3HB CYS 19 -0.496 1.162 -6.793
137 H GLN 20 H GLN 20 -2.513 2.430 -3.421
138 HA GLN 20 HA GLN 20 -0.494 3.064 -1.301
139 1HB GLN 20 2HB GLN 20 -3.520 2.829 -1.112
140 2HB GLN 20 3HB GLN 20 -2.412 3.233 0.212
141 1HG GLN 20 2HG GLN 20 -2.958 4.901 -2.274
142 2HG GLN 20 3HG GLN 20 -3.302 5.339 -0.603
143 1HE2 GLN 20 2HE2 GLN 20 -1.248 6.223 -3.059
144 2HE2 GLN 20 1HE2 GLN 20 0.154 6.579 -2.043
145 H CYS 21 H CYS 21 0.461 1.162 -2.251
146 HA CYS 21 HA CYS 21 -0.541 -1.502 -1.818
147 1HB CYS 21 2HB CYS 21 2.195 -0.244 -2.385
148 2HB CYS 21 3HB CYS 21 1.910 -1.974 -2.309
149 H ASP 22 H ASP 22 -0.930 -0.162 0.638
150 HA ASP 22 HA ASP 22 0.817 -1.542 2.555
151 1HB ASP 22 2HB ASP 22 1.952 0.653 1.884
152 2HB ASP 22 3HB ASP 22 0.566 1.496 2.599
153 H GLU 23 H GLU 23 0.159 -1.032 4.825
154 HA GLU 23 HA GLU 23 -2.319 -2.087 5.315
155 1HB GLU 23 2HB GLU 23 -0.773 -0.332 7.259
156 2HB GLU 23 3HB GLU 23 -1.867 -1.666 7.632
157 1HG GLU 23 2HG GLU 23 -0.236 -3.192 6.389
158 2HG GLU 23 3HG GLU 23 0.898 -1.837 6.337
159 H LEU 24 H LEU 24 -1.626 1.432 5.355
160 HA LEU 24 HA LEU 24 -4.178 2.116 6.583
161 1HB LEU 24 2HB LEU 24 -2.125 3.854 5.179
162 2HB LEU 24 3HB LEU 24 -3.489 4.441 6.121
163 HG LEU 24 HG LEU 24 -1.101 2.877 7.183
164 1HD1 LEU 24 1HD1 LEU 24 -0.714 5.271 6.654
165 2HD1 LEU 24 2HD1 LEU 24 -2.068 5.719 7.708
166 3HD1 LEU 24 3HD1 LEU 24 -0.618 4.946 8.391
167 1HD2 LEU 24 1HD2 LEU 24 -3.571 3.900 8.657
168 2HD2 LEU 24 2HD2 LEU 24 -3.050 2.205 8.498
169 3HD2 LEU 24 3HD2 LEU 24 -2.078 3.333 9.442
170 H CYS 25 H CYS 25 -3.545 1.191 3.348
171 HA CYS 25 HA CYS 25 -5.063 3.075 1.924
172 1HB CYS 25 2HB CYS 25 -5.031 1.615 0.157
173 2HB CYS 25 3HB CYS 25 -3.599 1.161 1.092
174 H SER 26 H SER 26 -6.294 0.473 3.930
175 HA SER 26 HA SER 26 -8.979 0.329 2.999
176 1HB SER 26 2HB SER 26 -7.664 -1.247 4.530
177 2HB SER 26 3HB SER 26 -8.054 -0.136 5.854
178 HG SER 26 HG SER 26 -9.565 -1.878 5.628
179 H TYR 27 H TYR 27 -7.465 2.915 4.608
180 HA TYR 27 HA TYR 27 -10.047 4.166 5.448
181 1HB TYR 27 2HB TYR 27 -8.726 3.980 7.331
182 2HB TYR 27 3HB TYR 27 -7.226 4.198 6.463
183 HD1 TYR 27 1HD TYR 27 -10.265 6.144 7.557
184 HD2 TYR 27 2HD TYR 27 -6.079 6.178 6.536
185 HE1 TYR 27 1HE TYR 27 -10.117 8.553 8.210
186 HE2 TYR 27 2HE TYR 27 -5.937 8.591 7.123
187 HH TYR 27 HH TYR 27 -7.072 10.423 7.926
188 H TYR 28 H TYR 28 -7.845 4.204 2.892
189 HA TYR 28 HA TYR 28 -8.530 7.027 2.139
190 1HB TYR 28 2HB TYR 28 -5.992 5.422 1.780
191 2HB TYR 28 3HB TYR 28 -6.361 6.808 0.757
192 HD1 TYR 28 1HD TYR 28 -5.203 5.781 4.057
193 HD2 TYR 28 2HD TYR 28 -6.644 9.086 1.689
194 HE1 TYR 28 1HE TYR 28 -4.134 7.383 5.634
195 HE2 TYR 28 2HE TYR 28 -5.613 10.687 3.287
196 HH TYR 28 HH TYR 28 -4.352 10.937 5.188
197 H GLN 29 H GLN 29 -9.070 3.796 1.203
198 HA GLN 29 HA GLN 29 -9.954 2.817 -0.635
199 1HB GLN 29 2HB GLN 29 -11.212 5.565 -1.014
200 2HB GLN 29 3HB GLN 29 -11.740 4.074 -1.781
201 1HG GLN 29 2HG GLN 29 -13.216 4.487 0.025
202 2HG GLN 29 3HG GLN 29 -12.235 3.072 0.433
203 1HE2 GLN 29 2HE2 GLN 29 -12.217 6.694 0.942
204 2HE2 GLN 29 1HE2 GLN 29 -11.608 6.552 2.593
205 H SER 30 H SER 30 -7.326 3.848 -1.035
206 HA SER 30 HA SER 30 -7.206 4.361 -3.993
207 1HB SER 30 2HB SER 30 -5.516 5.560 -1.762
208 2HB SER 30 3HB SER 30 -5.238 5.801 -3.500
209 HG SER 30 HG SER 30 -7.538 6.576 -2.004
210 H CYS 31 H CYS 31 -6.970 1.826 -2.394
211 HA CYS 31 HA CYS 31 -4.237 0.989 -2.244
212 1HB CYS 31 2HB CYS 31 -6.664 0.135 -1.253
213 2HB CYS 31 3HB CYS 31 -6.377 -1.057 -2.528
214 H CYS 32 H CYS 32 -3.416 -1.020 -3.352
215 HA CYS 32 HA CYS 32 -3.427 -0.875 -6.241
216 1HB CYS 32 2HB CYS 32 -2.412 -3.234 -5.962
217 2HB CYS 32 3HB CYS 32 -1.505 -1.855 -5.340
218 H THR 33 H THR 33 -4.455 -2.241 -7.739
219 HA THR 33 HA THR 33 -7.169 -2.506 -7.412
220 HB THR 33 HB THR 33 -5.625 -4.155 -9.427
221 HG1 THR 33 1HG THR 33 -5.286 -2.338 -10.577
222 1HG2 THR 33 1HG2 THR 33 -8.080 -4.264 -9.654
223 2HG2 THR 33 2HG2 THR 33 -8.182 -2.488 -9.612
224 3HG2 THR 33 3HG2 THR 33 -7.397 -3.314 -10.976
225 H ASP 34 H ASP 34 -4.851 -4.944 -6.554
226 HA ASP 34 HA ASP 34 -7.013 -6.898 -5.883
227 1HB ASP 34 2HB ASP 34 -4.373 -7.440 -7.302
228 2HB ASP 34 3HB ASP 34 -5.431 -8.697 -6.647
229 H TYR 35 H TYR 35 -5.775 -4.966 -4.116
230 HA TYR 35 HA TYR 35 -3.547 -5.590 -2.754
231 1HB TYR 35 2HB TYR 35 -4.797 -3.614 -2.195
232 2HB TYR 35 3HB TYR 35 -6.161 -4.575 -1.627
233 HD1 TYR 35 1HD TYR 35 -6.250 -5.476 0.586
234 HD2 TYR 35 2HD TYR 35 -2.701 -3.420 -0.770
235 HE1 TYR 35 1HE TYR 35 -5.403 -5.379 2.924
236 HE2 TYR 35 2HE TYR 35 -1.856 -3.350 1.559
237 HH TYR 35 HH TYR 35 -2.283 -3.845 3.752
238 H THR 36 H THR 36 -6.666 -7.152 -1.806
239 HA THR 36 HA THR 36 -5.523 -8.689 0.308
240 HB THR 36 HB THR 36 -7.688 -10.102 -0.043
241 HG1 THR 36 1HG THR 36 -9.256 -8.982 -1.208
242 1HG2 THR 36 1HG2 THR 36 -7.879 -7.132 0.590
243 2HG2 THR 36 2HG2 THR 36 -8.976 -8.420 1.138
244 3HG2 THR 36 3HG2 THR 36 -7.297 -8.388 1.708
245 H ALA 37 H ALA 37 -5.146 -9.264 -3.031
246 HA ALA 37 HA ALA 37 -4.423 -12.130 -2.510
247 1HB ALA 37 1HB ALA 37 -5.462 -10.832 -5.061
248 2HB ALA 37 2HB ALA 37 -5.035 -12.543 -4.850
249 3HB ALA 37 3HB ALA 37 -6.404 -11.858 -3.953
250 H GLU 38 H GLU 38 -3.315 -9.072 -3.895
251 HA GLU 38 HA GLU 38 -0.725 -10.358 -4.699
252 1HB GLU 38 2HB GLU 38 -2.228 -7.951 -5.788
253 2HB GLU 38 3HB GLU 38 -0.587 -8.381 -6.272
254 1HG GLU 38 2HG GLU 38 -3.067 -10.112 -6.652
255 2HG GLU 38 3HG GLU 38 -2.260 -9.161 -7.894
256 H CYS 39 H CYS 39 -2.001 -7.903 -2.531
257 HA CYS 39 HA CYS 39 0.770 -6.858 -2.143
258 1HB CYS 39 2HB CYS 39 -1.668 -5.298 -1.476
259 2HB CYS 39 3HB CYS 39 -0.064 -4.708 -1.812
260 H LYS 40 H LYS 40 -1.895 -8.343 -0.577
261 HA LYS 40 HA LYS 40 -2.067 -7.330 1.870
262 1HB LYS 40 2HB LYS 40 -3.464 -9.103 0.926
263 2HB LYS 40 3HB LYS 40 -2.206 -10.283 1.199
264 1HG LYS 40 2HG LYS 40 -3.771 -10.562 2.943
265 2HG LYS 40 3HG LYS 40 -2.372 -9.775 3.688
266 1HD LYS 40 2HD LYS 40 -3.592 -7.569 3.517
267 2HD LYS 40 3HD LYS 40 -4.980 -8.431 2.826
268 1HE LYS 40 2HE LYS 40 -5.145 -9.811 4.873
269 2HE LYS 40 3HE LYS 40 -3.726 -9.005 5.553
270 1HZ LYS 40 1HZ LYS 40 -4.984 -6.913 5.536
271 2HZ LYS 40 2HZ LYS 40 -6.303 -7.662 4.915
272 3HZ LYS 40 3HZ LYS 40 -5.778 -8.037 6.410
273 HA PRO 41 HA PRO 41 1.979 -7.742 3.922
274 1HB PRO 41 2HB PRO 41 0.083 -7.271 6.234
275 2HB PRO 41 3HB PRO 41 1.711 -6.575 5.959
276 1HG PRO 41 2HG PRO 41 -0.568 -5.178 5.403
277 2HG PRO 41 3HG PRO 41 0.865 -5.063 4.329
278 1HD PRO 41 2HD PRO 41 -1.692 -6.541 3.892
279 2HD PRO 41 3HD PRO 41 -0.585 -5.783 2.717
280 H GLN 42 H GLN 42 3.031 -9.322 5.110
281 HA GLN 42 HA GLN 42 1.663 -11.854 5.580
282 1HB GLN 42 2HB GLN 42 3.967 -11.664 4.638
283 2HB GLN 42 3HB GLN 42 4.540 -11.097 6.221
284 1HG GLN 42 2HG GLN 42 3.738 -13.246 7.243
285 2HG GLN 42 3HG GLN 42 3.114 -13.739 5.670
286 1HE2 GLN 42 2HE2 GLN 42 4.444 -15.666 5.931
287 2HE2 GLN 42 1HE2 GLN 42 6.175 -15.575 5.554
288 H VAL 43 H VAL 43 0.106 -11.171 7.107
289 HA VAL 43 HA VAL 43 0.576 -10.176 9.729
290 HB VAL 43 HB VAL 43 -1.591 -12.035 8.663
291 1HG1 VAL 43 1HG1 VAL 43 -2.971 -11.202 10.574
292 2HG1 VAL 43 2HG1 VAL 43 -1.634 -12.216 11.092
293 3HG1 VAL 43 3HG1 VAL 43 -1.523 -10.443 11.267
294 1HG2 VAL 43 1HG2 VAL 43 -2.951 -9.965 8.578
295 2HG2 VAL 43 2HG2 VAL 43 -1.547 -9.016 9.113
296 3HG2 VAL 43 3HG2 VAL 43 -1.535 -9.832 7.536
297 H THR 44 H THR 44 1.073 -11.101 11.676
298 HA THR 44 HA THR 44 1.792 -13.991 11.792
299 HB THR 44 HB THR 44 3.747 -13.298 13.231
300 HG1 THR 44 1HG THR 44 4.403 -11.145 13.047
301 1HG2 THR 44 1HG2 THR 44 5.207 -12.698 11.402
302 2HG2 THR 44 2HG2 THR 44 4.024 -13.888 10.832
303 3HG2 THR 44 3HG2 THR 44 3.831 -12.173 10.409
304 H ARG 45 H ARG 45 -0.600 -12.814 12.627
305 HA ARG 45 HA ARG 45 -0.809 -12.205 15.403
306 1HB ARG 45 2HB ARG 45 -2.413 -11.607 13.603
307 2HB ARG 45 3HB ARG 45 -2.918 -13.296 13.482
308 1HG ARG 45 2HG ARG 45 -3.838 -13.217 15.758
309 2HG ARG 45 3HG ARG 45 -3.186 -11.574 15.988
310 1HD ARG 45 2HD ARG 45 -4.636 -10.765 14.144
311 2HD ARG 45 3HD ARG 45 -5.279 -12.409 13.935
312 HE ARG 45 HE ARG 45 -5.608 -11.616 16.661
313 1HH1 ARG 45 1HH2 ARG 45 -7.001 -10.836 13.542
314 2HH1 ARG 45 2HH2 ARG 45 -8.518 -10.342 14.242
315 1HH2 ARG 45 1HH1 ARG 45 -7.564 -10.969 17.488
316 2HH2 ARG 45 2HH1 ARG 45 -8.820 -10.414 16.420
317 H GLY 46 H GLY 46 -0.496 -15.339 13.959
318 1HA GLY 46 2HA GLY 46 -0.317 -17.422 15.037
319 2HA GLY 46 3HA GLY 46 -0.949 -16.733 16.533
320 H ASP 47 H ASP 47 -2.788 -15.987 13.723
321 HA ASP 47 HA ASP 47 -4.749 -18.186 14.102
322 1HB ASP 47 2HB ASP 47 -5.218 -16.253 15.665
323 2HB ASP 47 3HB ASP 47 -5.430 -15.219 14.254
324 H VAL 48 H VAL 48 -2.878 -17.580 11.954
325 HA VAL 48 HA VAL 48 -4.686 -17.445 9.639
326 HB VAL 48 HB VAL 48 -4.057 -15.080 10.206
327 1HG1 VAL 48 1HG1 VAL 48 -1.239 -15.868 9.360
328 2HG1 VAL 48 2HG1 VAL 48 -1.829 -14.240 9.697
329 3HG1 VAL 48 3HG1 VAL 48 -1.749 -15.428 11.005
330 1HG2 VAL 48 1HG2 VAL 48 -4.712 -15.744 7.912
331 2HG2 VAL 48 2HG2 VAL 48 -3.617 -14.356 7.976
332 3HG2 VAL 48 3HG2 VAL 48 -2.989 -15.934 7.498
333 H PHE 49 H PHE 49 -3.615 -18.133 7.639
334 HA PHE 49 HA PHE 49 -1.583 -20.212 8.212
335 1HB PHE 49 2HB PHE 49 -3.432 -19.796 5.839
336 2HB PHE 49 3HB PHE 49 -2.378 -21.190 6.098
337 HD1 PHE 49 1HD PHE 49 -2.692 -22.569 8.276
338 HD2 PHE 49 2HD PHE 49 -5.656 -19.845 6.723
339 HE1 PHE 49 1HE PHE 49 -4.445 -23.709 9.617
340 HE2 PHE 49 2HE PHE 49 -7.405 -20.989 8.066
341 HZ PHE 49 HZ PHE 49 -6.802 -22.920 9.515
342 H THR 50 H THR 50 -1.317 -17.089 7.122
343 HA THR 50 HA THR 50 0.637 -17.483 4.972
344 HB THR 50 HB THR 50 0.856 -14.966 5.191
345 HG1 THR 50 1HG THR 50 -0.743 -13.972 6.454
346 1HG2 THR 50 1HG2 THR 50 -0.732 -16.011 3.594
347 2HG2 THR 50 2HG2 THR 50 -1.992 -16.001 4.848
348 3HG2 THR 50 3HG2 THR 50 -1.328 -14.471 4.232
349 H MET 51 H MET 51 1.001 -18.128 8.125
350 HA MET 51 HA MET 51 3.797 -17.099 8.350
351 1HB MET 51 2HB MET 51 3.435 -16.763 10.725
352 2HB MET 51 3HB MET 51 2.300 -15.797 9.782
353 1HG MET 51 2HG MET 51 0.533 -17.490 10.171
354 2HG MET 51 3HG MET 51 1.656 -18.444 11.153
355 1HE MET 51 1HE MET 51 3.168 -16.358 13.001
356 2HE MET 51 2HE MET 51 2.068 -16.346 14.393
357 3HE MET 51 3HE MET 51 2.419 -17.874 13.557
Start of MODEL 7
1 1H ASP 1 1H ASP 1 -4.813 4.806 -12.742
2 2H ASP 1 2H ASP 1 -3.916 6.172 -12.640
3 3H ASP 1 3H ASP 1 -4.758 5.852 -14.011
4 HA ASP 1 HA ASP 1 -3.399 3.959 -14.509
5 1HB ASP 1 2HB ASP 1 -2.662 6.164 -15.352
6 2HB ASP 1 3HB ASP 1 -1.717 6.419 -13.874
7 H GLN 2 H GLN 2 -2.652 2.188 -13.550
8 HA GLN 2 HA GLN 2 -1.240 2.326 -10.922
9 1HB GLN 2 2HB GLN 2 -3.892 1.009 -11.592
10 2HB GLN 2 3HB GLN 2 -2.811 0.222 -10.463
11 1HG GLN 2 2HG GLN 2 -4.299 1.468 -9.143
12 2HG GLN 2 3HG GLN 2 -2.737 2.256 -9.070
13 1HE2 GLN 2 2HE2 GLN 2 -3.523 4.306 -8.475
14 2HE2 GLN 2 1HE2 GLN 2 -4.603 5.254 -9.507
15 H GLU 3 H GLU 3 -0.361 0.221 -10.267
16 HA GLU 3 HA GLU 3 0.422 -1.644 -12.446
17 1HB GLU 3 2HB GLU 3 2.357 -0.203 -10.586
18 2HB GLU 3 3HB GLU 3 2.759 -1.553 -11.672
19 1HG GLU 3 2HG GLU 3 2.230 -0.168 -13.629
20 2HG GLU 3 3HG GLU 3 1.829 1.193 -12.569
21 H SER 4 H SER 4 1.618 -3.568 -11.495
22 HA SER 4 HA SER 4 0.152 -4.717 -9.282
23 1HB SER 4 2HB SER 4 1.583 -6.671 -9.685
24 2HB SER 4 3HB SER 4 0.921 -6.036 -11.207
25 HG SER 4 HG SER 4 3.128 -6.459 -11.450
26 H CYS 5 H CYS 5 1.208 -5.799 -7.454
27 HA CYS 5 HA CYS 5 2.481 -3.908 -5.798
28 1HB CYS 5 2HB CYS 5 0.904 -5.852 -5.281
29 2HB CYS 5 3HB CYS 5 2.341 -6.893 -5.284
30 H LYS 6 H LYS 6 4.225 -5.543 -8.142
31 HA LYS 6 HA LYS 6 6.324 -6.738 -6.606
32 1HB LYS 6 2HB LYS 6 6.177 -5.845 -9.505
33 2HB LYS 6 3HB LYS 6 7.565 -6.712 -8.812
34 1HG LYS 6 2HG LYS 6 6.162 -8.624 -8.221
35 2HG LYS 6 3HG LYS 6 4.700 -7.766 -8.746
36 1HD LYS 6 2HD LYS 6 5.350 -9.373 -10.424
37 2HD LYS 6 3HD LYS 6 5.504 -7.730 -11.058
38 1HE LYS 6 2HE LYS 6 7.966 -7.817 -10.651
39 2HE LYS 6 3HE LYS 6 7.798 -9.448 -9.989
40 1HZ LYS 6 1HZ LYS 6 8.475 -9.500 -12.320
41 2HZ LYS 6 2HZ LYS 6 6.998 -10.174 -12.178
42 3HZ LYS 6 3HZ LYS 6 7.155 -8.664 -12.785
43 H GLY 7 H GLY 7 7.875 -5.912 -5.513
44 1HA GLY 7 2HA GLY 7 9.562 -4.527 -4.751
45 2HA GLY 7 3HA GLY 7 9.348 -3.475 -6.160
46 H ARG 8 H ARG 8 6.401 -4.007 -4.416
47 HA ARG 8 HA ARG 8 6.643 -1.338 -3.036
48 1HB ARG 8 2HB ARG 8 4.532 -2.351 -4.982
49 2HB ARG 8 3HB ARG 8 4.277 -0.970 -3.912
50 1HG ARG 8 2HG ARG 8 6.174 0.215 -4.841
51 2HG ARG 8 3HG ARG 8 6.552 -1.133 -5.923
52 1HD ARG 8 2HD ARG 8 3.817 0.168 -5.973
53 2HD ARG 8 3HD ARG 8 5.203 0.903 -6.777
54 HE ARG 8 HE ARG 8 4.164 -1.850 -7.413
55 1HH1 ARG 8 1HH2 ARG 8 5.545 1.173 -8.673
56 2HH1 ARG 8 2HH2 ARG 8 5.429 0.523 -10.311
57 1HH2 ARG 8 1HH1 ARG 8 4.174 -2.459 -9.504
58 2HH2 ARG 8 2HH1 ARG 8 4.778 -1.329 -10.735
59 H CYS 9 H CYS 9 4.981 -4.474 -2.909
60 HA CYS 9 HA CYS 9 3.139 -4.053 -0.991
61 1HB CYS 9 2HB CYS 9 4.959 -6.434 -0.687
62 2HB CYS 9 3HB CYS 9 3.231 -6.303 -0.369
63 H THR 10 H THR 10 2.887 -3.515 1.037
64 HA THR 10 HA THR 10 3.182 -2.814 3.128
65 HB THR 10 HB THR 10 5.666 -4.475 3.521
66 HG1 THR 10 1HG THR 10 4.364 -6.251 3.768
67 1HG2 THR 10 1HG2 THR 10 3.190 -3.902 5.229
68 2HG2 THR 10 2HG2 THR 10 4.518 -4.990 5.690
69 3HG2 THR 10 3HG2 THR 10 4.819 -3.264 5.514
70 H GLU 11 H GLU 11 4.525 -1.282 0.963
71 HA GLU 11 HA GLU 11 6.905 -0.080 1.964
72 1HB GLU 11 2HB GLU 11 6.435 1.722 0.388
73 2HB GLU 11 3HB GLU 11 6.314 0.138 -0.353
74 1HG GLU 11 2HG GLU 11 3.828 0.275 -0.283
75 2HG GLU 11 3HG GLU 11 3.925 1.815 0.560
76 H GLY 12 H GLY 12 3.680 0.448 3.078
77 1HA GLY 12 2HA GLY 12 2.880 1.850 4.791
78 2HA GLY 12 3HA GLY 12 4.425 2.712 4.841
79 H PHE 13 H PHE 13 1.666 3.832 4.714
80 HA PHE 13 HA PHE 13 0.980 4.496 2.070
81 1HB PHE 13 2HB PHE 13 -0.390 4.554 4.255
82 2HB PHE 13 3HB PHE 13 0.174 6.212 4.429
83 HD1 PHE 13 1HD PHE 13 -2.003 3.882 2.604
84 HD2 PHE 13 2HD PHE 13 -0.555 7.957 2.677
85 HE1 PHE 13 1HE PHE 13 -3.888 4.600 1.156
86 HE2 PHE 13 2HE PHE 13 -2.434 8.609 1.192
87 HZ PHE 13 HZ PHE 13 -4.083 6.959 0.435
88 H ASN 14 H ASN 14 1.293 6.152 0.738
89 HA ASN 14 HA ASN 14 2.478 8.705 1.578
90 1HB ASN 14 2HB ASN 14 4.494 7.408 1.096
91 2HB ASN 14 3HB ASN 14 3.844 6.896 -0.466
92 1HD2 ASN 14 1HD2 ASN 14 6.314 8.071 -0.416
93 2HD2 ASN 14 2HD2 ASN 14 6.197 9.697 -1.089
94 H VAL 15 H VAL 15 0.757 9.817 0.980
95 HA VAL 15 HA VAL 15 -1.266 9.109 -0.712
96 HB VAL 15 HB VAL 15 -0.677 12.032 -0.386
97 1HG1 VAL 15 1HG1 VAL 15 -2.845 11.292 -1.395
98 2HG1 VAL 15 2HG1 VAL 15 -3.217 10.403 0.099
99 3HG1 VAL 15 3HG1 VAL 15 -3.078 12.166 0.121
100 1HG2 VAL 15 1HG2 VAL 15 -1.476 10.297 1.982
101 2HG2 VAL 15 2HG2 VAL 15 -0.001 11.277 1.815
102 3HG2 VAL 15 3HG2 VAL 15 -1.572 12.056 1.910
103 H ASP 16 H ASP 16 1.725 10.523 -1.838
104 HA ASP 16 HA ASP 16 0.723 11.421 -4.422
105 1HB ASP 16 2HB ASP 16 2.677 12.380 -3.190
106 2HB ASP 16 3HB ASP 16 3.553 10.871 -3.484
107 H LYS 17 H LYS 17 1.743 8.284 -3.229
108 HA LYS 17 HA LYS 17 2.813 7.223 -5.698
109 1HB LYS 17 2HB LYS 17 1.725 5.854 -3.199
110 2HB LYS 17 3HB LYS 17 2.523 4.996 -4.520
111 1HG LYS 17 2HG LYS 17 3.829 7.142 -2.801
112 2HG LYS 17 3HG LYS 17 3.978 5.389 -2.583
113 1HD LYS 17 2HD LYS 17 4.913 5.313 -4.993
114 2HD LYS 17 3HD LYS 17 4.986 7.084 -4.896
115 1HE LYS 17 2HE LYS 17 7.138 6.434 -4.269
116 2HE LYS 17 3HE LYS 17 6.333 6.764 -2.725
117 1HZ LYS 17 1HZ LYS 17 7.552 4.677 -2.628
118 2HZ LYS 17 2HZ LYS 17 5.966 4.299 -2.534
119 3HZ LYS 17 3HZ LYS 17 6.777 4.078 -3.930
120 H LYS 18 H LYS 18 2.021 5.706 -7.108
121 HA LYS 18 HA LYS 18 -0.688 6.082 -8.045
122 1HB LYS 18 2HB LYS 18 1.649 4.353 -8.886
123 2HB LYS 18 3HB LYS 18 0.042 4.037 -9.546
124 1HG LYS 18 2HG LYS 18 1.173 5.438 -11.092
125 2HG LYS 18 3HG LYS 18 -0.096 6.406 -10.319
126 1HD LYS 18 2HD LYS 18 1.623 7.426 -8.829
127 2HD LYS 18 3HD LYS 18 2.881 6.462 -9.635
128 1HE LYS 18 2HE LYS 18 2.284 7.536 -11.803
129 2HE LYS 18 3HE LYS 18 1.050 8.501 -10.983
130 1HZ LYS 18 1HZ LYS 18 3.108 9.755 -11.240
131 2HZ LYS 18 2HZ LYS 18 2.829 9.516 -9.651
132 3HZ LYS 18 3HZ LYS 18 3.969 8.634 -10.427
133 H CYS 19 H CYS 19 0.818 3.475 -6.197
134 HA CYS 19 HA CYS 19 -1.922 2.396 -5.614
135 1HB CYS 19 2HB CYS 19 -1.090 0.284 -5.169
136 2HB CYS 19 3HB CYS 19 -0.305 0.700 -6.691
137 H GLN 20 H GLN 20 -2.105 1.609 -3.413
138 HA GLN 20 HA GLN 20 -0.175 2.744 -1.432
139 1HB GLN 20 2HB GLN 20 -3.190 2.639 -1.126
140 2HB GLN 20 3HB GLN 20 -2.029 3.158 0.096
141 1HG GLN 20 2HG GLN 20 -2.493 4.499 -2.610
142 2HG GLN 20 3HG GLN 20 -3.132 5.079 -1.101
143 1HE2 GLN 20 2HE2 GLN 20 -1.310 6.448 -3.064
144 2HE2 GLN 20 1HE2 GLN 20 0.076 6.881 -2.061
145 H CYS 21 H CYS 21 0.770 0.760 -2.067
146 HA CYS 21 HA CYS 21 -0.534 -1.783 -1.762
147 1HB CYS 21 2HB CYS 21 2.347 -0.907 -2.240
148 2HB CYS 21 3HB CYS 21 1.801 -2.577 -2.273
149 H ASP 22 H ASP 22 -0.790 -0.457 0.724
150 HA ASP 22 HA ASP 22 0.888 -2.056 2.591
151 1HB ASP 22 2HB ASP 22 1.682 -0.140 3.719
152 2HB ASP 22 3HB ASP 22 1.943 0.202 2.006
153 H GLU 23 H GLU 23 0.345 -1.329 4.926
154 HA GLU 23 HA GLU 23 -2.096 -2.513 5.585
155 1HB GLU 23 2HB GLU 23 -0.405 -0.676 7.329
156 2HB GLU 23 3HB GLU 23 -1.529 -1.921 7.879
157 1HG GLU 23 2HG GLU 23 -0.084 -3.652 6.793
158 2HG GLU 23 3HG GLU 23 1.082 -2.388 6.363
159 H LEU 24 H LEU 24 -1.497 0.978 5.169
160 HA LEU 24 HA LEU 24 -3.974 1.700 6.658
161 1HB LEU 24 2HB LEU 24 -1.885 3.427 5.320
162 2HB LEU 24 3HB LEU 24 -3.172 3.993 6.373
163 HG LEU 24 HG LEU 24 -0.818 2.243 7.215
164 1HD1 LEU 24 1HD1 LEU 24 -0.234 4.595 6.761
165 2HD1 LEU 24 2HD1 LEU 24 -1.529 5.137 7.851
166 3HD1 LEU 24 3HD1 LEU 24 -0.138 4.230 8.490
167 1HD2 LEU 24 1HD2 LEU 24 -2.775 1.681 8.588
168 2HD2 LEU 24 2HD2 LEU 24 -1.637 2.647 9.530
169 3HD2 LEU 24 3HD2 LEU 24 -3.103 3.407 8.870
170 H CYS 25 H CYS 25 -3.452 0.723 3.511
171 HA CYS 25 HA CYS 25 -4.530 2.827 2.022
172 1HB CYS 25 2HB CYS 25 -4.490 1.384 0.210
173 2HB CYS 25 3HB CYS 25 -3.210 0.827 1.293
174 H SER 26 H SER 26 -6.340 0.331 3.734
175 HA SER 26 HA SER 26 -8.868 0.777 2.439
176 1HB SER 26 2HB SER 26 -8.221 -1.257 3.738
177 2HB SER 26 3HB SER 26 -8.345 -0.307 5.232
178 HG SER 26 HG SER 26 -10.283 -1.465 4.728
179 H TYR 27 H TYR 27 -7.293 2.384 5.189
180 HA TYR 27 HA TYR 27 -9.557 3.913 6.105
181 1HB TYR 27 2HB TYR 27 -7.836 3.701 7.627
182 2HB TYR 27 3HB TYR 27 -6.579 3.969 6.451
183 HD1 TYR 27 1HD TYR 27 -5.507 6.013 6.247
184 HD2 TYR 27 2HD TYR 27 -9.298 5.798 8.294
185 HE1 TYR 27 1HE TYR 27 -5.256 8.378 6.928
186 HE2 TYR 27 2HE TYR 27 -9.034 8.177 9.007
187 HH TYR 27 HH TYR 27 -6.178 10.140 8.086
188 H TYR 28 H TYR 28 -7.466 4.308 3.319
189 HA TYR 28 HA TYR 28 -8.738 6.944 2.668
190 1HB TYR 28 2HB TYR 28 -6.262 5.532 1.623
191 2HB TYR 28 3HB TYR 28 -6.936 6.989 0.903
192 HD1 TYR 28 1HD TYR 28 -4.959 5.674 3.691
193 HD2 TYR 28 2HD TYR 28 -6.896 9.162 2.049
194 HE1 TYR 28 1HE TYR 28 -3.465 7.140 5.037
195 HE2 TYR 28 2HE TYR 28 -5.435 10.626 3.433
196 HH TYR 28 HH TYR 28 -3.707 10.718 4.934
197 H GLN 29 H GLN 29 -9.009 3.617 1.852
198 HA GLN 29 HA GLN 29 -9.784 2.403 0.144
199 1HB GLN 29 2HB GLN 29 -11.550 4.824 -0.353
200 2HB GLN 29 3HB GLN 29 -11.757 3.256 -1.119
201 1HG GLN 29 2HG GLN 29 -11.845 3.661 1.898
202 2HG GLN 29 3HG GLN 29 -13.260 3.669 0.844
203 1HE2 GLN 29 1HE2 GLN 29 -11.356 1.638 2.788
204 2HE2 GLN 29 2HE2 GLN 29 -11.910 0.110 2.107
205 H SER 30 H SER 30 -7.354 3.502 -0.312
206 HA SER 30 HA SER 30 -7.298 4.157 -3.246
207 1HB SER 30 2HB SER 30 -5.480 5.196 -1.035
208 2HB SER 30 3HB SER 30 -5.277 5.497 -2.777
209 HG SER 30 HG SER 30 -6.406 7.203 -1.819
210 H CYS 31 H CYS 31 -6.966 1.502 -1.747
211 HA CYS 31 HA CYS 31 -4.320 0.544 -1.846
212 1HB CYS 31 2HB CYS 31 -6.876 -1.000 -2.387
213 2HB CYS 31 3HB CYS 31 -5.351 -1.631 -1.757
214 H CYS 32 H CYS 32 -3.415 -1.159 -3.219
215 HA CYS 32 HA CYS 32 -3.337 -0.720 -6.045
216 1HB CYS 32 2HB CYS 32 -2.518 -3.288 -5.835
217 2HB CYS 32 3HB CYS 32 -1.484 -1.919 -5.452
218 H THR 33 H THR 33 -4.164 -2.036 -7.769
219 HA THR 33 HA THR 33 -6.959 -2.338 -7.653
220 HB THR 33 HB THR 33 -6.666 -3.396 -9.952
221 HG1 THR 33 1HG THR 33 -4.600 -3.368 -10.783
222 1HG2 THR 33 1HG2 THR 33 -6.953 -0.951 -9.629
223 2HG2 THR 33 2HG2 THR 33 -5.194 -0.771 -9.445
224 3HG2 THR 33 3HG2 THR 33 -5.881 -1.320 -10.990
225 H ASP 34 H ASP 34 -4.606 -4.763 -6.904
226 HA ASP 34 HA ASP 34 -6.795 -6.735 -6.417
227 1HB ASP 34 2HB ASP 34 -4.133 -7.243 -7.790
228 2HB ASP 34 3HB ASP 34 -5.138 -8.530 -7.106
229 H TYR 35 H TYR 35 -5.514 -4.803 -4.634
230 HA TYR 35 HA TYR 35 -3.532 -5.482 -2.983
231 1HB TYR 35 2HB TYR 35 -4.818 -3.509 -2.622
232 2HB TYR 35 3HB TYR 35 -6.275 -4.429 -2.254
233 HD1 TYR 35 1HD TYR 35 -2.947 -3.374 -0.902
234 HD2 TYR 35 2HD TYR 35 -6.727 -5.260 -0.053
235 HE1 TYR 35 1HE TYR 35 -2.391 -3.400 1.515
236 HE2 TYR 35 2HE TYR 35 -6.185 -5.254 2.369
237 HH TYR 35 HH TYR 35 -4.659 -4.692 3.973
238 H THR 36 H THR 36 -6.768 -6.983 -2.426
239 HA THR 36 HA THR 36 -5.913 -8.441 -0.134
240 HB THR 36 HB THR 36 -8.043 -9.797 -0.582
241 HG1 THR 36 1HG THR 36 -9.436 -8.833 -2.077
242 1HG2 THR 36 1HG2 THR 36 -9.433 -8.018 0.249
243 2HG2 THR 36 2HG2 THR 36 -7.814 -7.792 0.939
244 3HG2 THR 36 3HG2 THR 36 -8.352 -6.774 -0.416
245 H ALA 37 H ALA 37 -5.236 -9.137 -3.389
246 HA ALA 37 HA ALA 37 -4.445 -11.939 -2.698
247 1HB ALA 37 1HB ALA 37 -4.826 -12.469 -5.064
248 2HB ALA 37 2HB ALA 37 -6.299 -11.819 -4.319
249 3HB ALA 37 3HB ALA 37 -5.310 -10.789 -5.382
250 H GLU 38 H GLU 38 -3.255 -8.836 -3.793
251 HA GLU 38 HA GLU 38 -0.619 -10.082 -4.517
252 1HB GLU 38 2HB GLU 38 -1.874 -7.474 -5.445
253 2HB GLU 38 3HB GLU 38 -0.219 -8.016 -5.788
254 1HG GLU 38 2HG GLU 38 -1.226 -10.111 -6.819
255 2HG GLU 38 3HG GLU 38 -2.794 -9.309 -6.731
256 H CYS 39 H CYS 39 -1.992 -7.552 -2.342
257 HA CYS 39 HA CYS 39 0.826 -6.790 -1.690
258 1HB CYS 39 2HB CYS 39 -1.401 -4.885 -1.273
259 2HB CYS 39 3HB CYS 39 0.273 -4.559 -1.629
260 H LYS 40 H LYS 40 -2.271 -7.691 -0.449
261 HA LYS 40 HA LYS 40 -2.635 -6.854 2.024
262 1HB LYS 40 2HB LYS 40 -3.935 -8.508 0.741
263 2HB LYS 40 3HB LYS 40 -2.831 -9.770 1.274
264 1HG LYS 40 2HG LYS 40 -3.468 -9.254 3.654
265 2HG LYS 40 3HG LYS 40 -4.516 -7.950 3.069
266 1HD LYS 40 2HD LYS 40 -5.893 -9.882 3.556
267 2HD LYS 40 3HD LYS 40 -5.883 -9.585 1.819
268 1HE LYS 40 2HE LYS 40 -3.932 -11.367 1.782
269 2HE LYS 40 3HE LYS 40 -4.513 -11.789 3.395
270 1HZ LYS 40 1HZ LYS 40 -5.604 -13.150 1.722
271 2HZ LYS 40 2HZ LYS 40 -6.739 -12.146 2.334
272 3HZ LYS 40 3HZ LYS 40 -6.068 -11.847 0.859
273 HA PRO 41 HA PRO 41 1.381 -7.787 3.852
274 1HB PRO 41 2HB PRO 41 0.224 -6.002 6.020
275 2HB PRO 41 3HB PRO 41 1.872 -5.961 5.318
276 1HG PRO 41 2HG PRO 41 0.013 -4.164 4.507
277 2HG PRO 41 3HG PRO 41 1.053 -4.975 3.291
278 1HD PRO 41 2HD PRO 41 -1.803 -5.673 4.063
279 2HD PRO 41 3HD PRO 41 -1.077 -5.499 2.462
280 H GLN 42 H GLN 42 -0.941 -9.479 4.499
281 HA GLN 42 HA GLN 42 0.204 -11.146 6.501
282 1HB GLN 42 2HB GLN 42 -0.706 -9.547 8.105
283 2HB GLN 42 3HB GLN 42 -2.310 -9.619 7.349
284 1HG GLN 42 2HG GLN 42 -2.691 -11.841 8.144
285 2HG GLN 42 3HG GLN 42 -0.983 -12.095 8.499
286 1HE2 GLN 42 2HE2 GLN 42 -0.243 -11.619 10.554
287 2HE2 GLN 42 1HE2 GLN 42 -1.231 -10.806 11.784
288 H VAL 43 H VAL 43 -0.456 -13.222 6.099
289 HA VAL 43 HA VAL 43 -3.102 -13.718 4.842
290 HB VAL 43 HB VAL 43 -0.704 -15.170 3.718
291 1HG1 VAL 43 1HG1 VAL 43 -2.191 -15.464 1.800
292 2HG1 VAL 43 2HG1 VAL 43 -3.100 -15.912 3.249
293 3HG1 VAL 43 3HG1 VAL 43 -3.383 -14.343 2.493
294 1HG2 VAL 43 1HG2 VAL 43 -0.662 -13.613 1.794
295 2HG2 VAL 43 2HG2 VAL 43 -1.756 -12.511 2.653
296 3HG2 VAL 43 3HG2 VAL 43 -0.119 -12.830 3.275
297 H THR 44 H THR 44 -2.520 -14.045 7.488
298 HA THR 44 HA THR 44 -1.884 -16.671 8.355
299 HB THR 44 HB THR 44 -3.943 -14.843 9.647
300 HG1 THR 44 1HG THR 44 -2.222 -13.871 10.676
301 1HG2 THR 44 1HG2 THR 44 -1.905 -16.816 10.788
302 2HG2 THR 44 2HG2 THR 44 -2.985 -15.776 11.744
303 3HG2 THR 44 3HG2 THR 44 -3.670 -17.049 10.732
304 H ARG 45 H ARG 45 -2.950 -18.546 8.190
305 HA ARG 45 HA ARG 45 -5.902 -18.656 7.609
306 1HB ARG 45 2HB ARG 45 -3.579 -19.913 6.115
307 2HB ARG 45 3HB ARG 45 -5.195 -20.592 6.001
308 1HG ARG 45 2HG ARG 45 -6.121 -18.706 4.970
309 2HG ARG 45 3HG ARG 45 -4.761 -17.652 5.390
310 1HD ARG 45 2HD ARG 45 -4.447 -20.055 3.561
311 2HD ARG 45 3HD ARG 45 -4.871 -18.434 2.975
312 HE ARG 45 HE ARG 45 -2.652 -17.997 4.574
313 1HH1 ARG 45 1HH2 ARG 45 -3.181 -19.845 1.642
314 2HH1 ARG 45 2HH2 ARG 45 -1.545 -19.598 1.094
315 1HH2 ARG 45 1HH1 ARG 45 -0.632 -17.726 3.846
316 2HH2 ARG 45 2HH1 ARG 45 -0.121 -18.423 2.331
317 H GLY 46 H GLY 46 -3.837 -19.493 9.937
318 1HA GLY 46 2HA GLY 46 -4.180 -20.896 11.751
319 2HA GLY 46 3HA GLY 46 -5.501 -21.693 10.900
320 H ASP 47 H ASP 47 -2.937 -21.829 8.814
321 HA ASP 47 HA ASP 47 -1.687 -24.302 9.908
322 1HB ASP 47 2HB ASP 47 -3.715 -24.770 8.444
323 2HB ASP 47 3HB ASP 47 -2.859 -23.999 7.110
324 H VAL 48 H VAL 48 -0.850 -21.438 9.404
325 HA VAL 48 HA VAL 48 1.726 -21.814 8.083
326 HB VAL 48 HB VAL 48 0.161 -21.513 6.182
327 1HG1 VAL 48 1HG1 VAL 48 -1.534 -20.079 7.270
328 2HG1 VAL 48 2HG1 VAL 48 -0.383 -18.721 7.265
329 3HG1 VAL 48 3HG1 VAL 48 -0.958 -19.416 5.738
330 1HG2 VAL 48 1HG2 VAL 48 1.375 -19.898 4.945
331 2HG2 VAL 48 2HG2 VAL 48 1.935 -19.065 6.399
332 3HG2 VAL 48 3HG2 VAL 48 2.519 -20.709 6.022
333 H PHE 49 H PHE 49 3.069 -19.846 8.271
334 HA PHE 49 HA PHE 49 2.931 -18.558 10.795
335 1HB PHE 49 2HB PHE 49 4.981 -18.957 9.466
336 2HB PHE 49 3HB PHE 49 4.437 -17.772 8.271
337 HD1 PHE 49 1HD PHE 49 5.026 -18.048 11.999
338 HD2 PHE 49 2HD PHE 49 5.329 -15.597 8.457
339 HE1 PHE 49 1HE PHE 49 6.092 -16.245 13.332
340 HE2 PHE 49 2HE PHE 49 6.412 -13.807 9.798
341 HZ PHE 49 HZ PHE 49 6.785 -14.123 12.234
342 H THR 50 H THR 50 2.818 -16.247 11.252
343 HA THR 50 HA THR 50 0.276 -15.206 10.376
344 HB THR 50 HB THR 50 0.746 -13.458 12.142
345 HG1 THR 50 1HG THR 50 2.549 -13.800 13.427
346 1HG2 THR 50 1HG2 THR 50 0.541 -14.985 14.023
347 2HG2 THR 50 2HG2 THR 50 -0.435 -15.570 12.667
348 3HG2 THR 50 3HG2 THR 50 1.120 -16.347 13.038
349 H MET 51 H MET 51 2.799 -14.949 8.536
350 HA MET 51 HA MET 51 2.028 -12.319 7.469
351 1HB MET 51 2HB MET 51 3.939 -11.851 9.008
352 2HB MET 51 3HB MET 51 4.947 -12.949 8.051
353 1HG MET 51 2HG MET 51 4.670 -11.526 6.073
354 2HG MET 51 3HG MET 51 3.508 -10.509 6.942
355 1HE MET 51 1HE MET 51 8.090 -10.565 7.702
356 2HE MET 51 2HE MET 51 7.077 -11.949 8.155
357 3HE MET 51 3HE MET 51 7.260 -11.503 6.443
Start of MODEL 8
1 1H ASP 1 1H ASP 1 -5.148 5.866 -14.654
2 2H ASP 1 2H ASP 1 -4.841 6.157 -16.239
3 3H ASP 1 3H ASP 1 -5.752 4.860 -15.795
4 HA ASP 1 HA ASP 1 -3.601 4.068 -16.401
5 1HB ASP 1 2HB ASP 1 -2.608 6.127 -14.385
6 2HB ASP 1 3HB ASP 1 -1.608 4.839 -15.076
7 H GLN 2 H GLN 2 -2.600 2.300 -15.329
8 HA GLN 2 HA GLN 2 -3.549 1.637 -12.578
9 1HB GLN 2 2HB GLN 2 -3.777 -0.142 -15.037
10 2HB GLN 2 3HB GLN 2 -4.022 -0.676 -13.370
11 1HG GLN 2 2HG GLN 2 -5.864 0.997 -13.124
12 2HG GLN 2 3HG GLN 2 -5.715 1.392 -14.838
13 1HE2 GLN 2 2HE2 GLN 2 -8.036 0.200 -13.344
14 2HE2 GLN 2 1HE2 GLN 2 -8.359 -1.310 -14.198
15 H GLU 3 H GLU 3 -2.406 -0.307 -11.724
16 HA GLU 3 HA GLU 3 0.446 -0.542 -12.513
17 1HB GLU 3 2HB GLU 3 1.315 0.369 -10.602
18 2HB GLU 3 3HB GLU 3 0.140 1.542 -11.181
19 1HG GLU 3 2HG GLU 3 -0.134 -0.363 -8.821
20 2HG GLU 3 3HG GLU 3 0.107 1.374 -8.812
21 H SER 4 H SER 4 1.617 -1.834 -10.668
22 HA SER 4 HA SER 4 -0.072 -3.965 -9.478
23 1HB SER 4 2HB SER 4 0.650 -4.896 -11.627
24 2HB SER 4 3HB SER 4 2.345 -4.494 -11.257
25 HG SER 4 HG SER 4 1.683 -6.714 -10.793
26 H CYS 5 H CYS 5 0.744 -4.856 -7.626
27 HA CYS 5 HA CYS 5 2.629 -3.267 -6.123
28 1HB CYS 5 2HB CYS 5 0.515 -4.324 -5.388
29 2HB CYS 5 3HB CYS 5 1.291 -5.915 -5.428
30 H LYS 6 H LYS 6 3.331 -5.729 -8.323
31 HA LYS 6 HA LYS 6 5.073 -7.398 -6.781
32 1HB LYS 6 2HB LYS 6 3.804 -7.917 -8.961
33 2HB LYS 6 3HB LYS 6 5.077 -7.049 -9.807
34 1HG LYS 6 2HG LYS 6 5.538 -9.400 -9.918
35 2HG LYS 6 3HG LYS 6 6.758 -8.646 -8.890
36 1HD LYS 6 2HD LYS 6 6.119 -10.786 -8.008
37 2HD LYS 6 3HD LYS 6 5.630 -9.558 -6.863
38 1HE LYS 6 2HE LYS 6 3.677 -10.664 -8.928
39 2HE LYS 6 3HE LYS 6 4.056 -11.586 -7.477
40 1HZ LYS 6 1HZ LYS 6 2.901 -8.856 -7.446
41 2HZ LYS 6 2HZ LYS 6 2.078 -10.228 -7.153
42 3HZ LYS 6 3HZ LYS 6 3.252 -9.761 -6.120
43 H GLY 7 H GLY 7 6.332 -5.950 -5.670
44 1HA GLY 7 2HA GLY 7 8.900 -5.515 -5.790
45 2HA GLY 7 3HA GLY 7 8.445 -4.380 -7.073
46 H ARG 8 H ARG 8 5.931 -4.232 -4.874
47 HA ARG 8 HA ARG 8 7.125 -1.886 -3.414
48 1HB ARG 8 2HB ARG 8 4.381 -2.076 -4.729
49 2HB ARG 8 3HB ARG 8 5.028 -0.713 -3.827
50 1HG ARG 8 2HG ARG 8 6.961 -0.738 -5.618
51 2HG ARG 8 3HG ARG 8 5.828 -1.727 -6.556
52 1HD ARG 8 2HD ARG 8 5.440 0.491 -7.257
53 2HD ARG 8 3HD ARG 8 4.094 0.130 -6.165
54 HE ARG 8 HE ARG 8 5.288 1.382 -4.371
55 1HH1 ARG 8 1HH2 ARG 8 6.210 2.233 -7.655
56 2HH1 ARG 8 2HH2 ARG 8 7.093 3.635 -7.114
57 1HH2 ARG 8 2HH1 ARG 8 6.623 2.957 -3.770
58 2HH2 ARG 8 1HH1 ARG 8 7.261 4.084 -4.954
59 H CYS 9 H CYS 9 4.721 -4.499 -3.101
60 HA CYS 9 HA CYS 9 3.118 -3.700 -1.191
61 1HB CYS 9 2HB CYS 9 4.411 -6.430 -1.016
62 2HB CYS 9 3HB CYS 9 2.746 -5.969 -0.625
63 H THR 10 H THR 10 2.956 -3.028 0.769
64 HA THR 10 HA THR 10 3.392 -2.232 2.784
65 HB THR 10 HB THR 10 5.175 -4.567 3.492
66 HG1 THR 10 1HG THR 10 3.449 -5.443 2.351
67 1HG2 THR 10 1HG2 THR 10 3.868 -4.480 5.591
68 2HG2 THR 10 2HG2 THR 10 4.602 -2.901 5.283
69 3HG2 THR 10 3HG2 THR 10 2.880 -3.158 4.936
70 H GLU 11 H GLU 11 5.121 -1.255 0.733
71 HA GLU 11 HA GLU 11 7.783 -0.738 1.692
72 1HB GLU 11 2HB GLU 11 7.702 1.181 0.131
73 2HB GLU 11 3HB GLU 11 7.302 -0.351 -0.611
74 1HG GLU 11 2HG GLU 11 4.845 0.244 -0.502
75 2HG GLU 11 3HG GLU 11 5.301 1.795 0.232
76 H GLY 12 H GLY 12 4.709 0.560 2.650
77 1HA GLY 12 2HA GLY 12 4.563 1.749 4.818
78 2HA GLY 12 3HA GLY 12 5.937 2.747 4.316
79 H PHE 13 H PHE 13 2.994 3.311 4.911
80 HA PHE 13 HA PHE 13 1.689 3.947 2.424
81 1HB PHE 13 2HB PHE 13 0.148 3.647 4.078
82 2HB PHE 13 3HB PHE 13 1.153 4.386 5.336
83 HD1 PHE 13 1HD PHE 13 1.103 6.800 5.741
84 HD2 PHE 13 2HD PHE 13 -1.295 5.037 2.611
85 HE1 PHE 13 1HE PHE 13 -0.204 8.896 5.557
86 HE2 PHE 13 2HE PHE 13 -2.615 7.102 2.465
87 HZ PHE 13 HZ PHE 13 -2.060 9.058 3.917
88 H ASN 14 H ASN 14 1.447 5.731 1.311
89 HA ASN 14 HA ASN 14 2.046 8.381 2.196
90 1HB ASN 14 2HB ASN 14 4.375 7.803 1.678
91 2HB ASN 14 3HB ASN 14 3.904 7.160 0.102
92 1HD2 ASN 14 2HD2 ASN 14 5.710 8.777 -0.456
93 2HD2 ASN 14 1HD2 ASN 14 5.162 10.416 -0.805
94 H VAL 15 H VAL 15 0.049 8.980 1.576
95 HA VAL 15 HA VAL 15 -1.479 7.824 -0.429
96 HB VAL 15 HB VAL 15 -2.204 9.098 1.570
97 1HG1 VAL 15 1HG1 VAL 15 -2.711 11.411 1.462
98 2HG1 VAL 15 2HG1 VAL 15 -0.975 11.156 1.241
99 3HG1 VAL 15 3HG1 VAL 15 -2.002 11.548 -0.168
100 1HG2 VAL 15 1HG2 VAL 15 -4.344 9.695 0.676
101 2HG2 VAL 15 2HG2 VAL 15 -3.708 9.662 -0.981
102 3HG2 VAL 15 3HG2 VAL 15 -3.763 8.169 -0.003
103 H ASP 16 H ASP 16 0.968 10.165 -0.994
104 HA ASP 16 HA ASP 16 0.052 11.200 -3.530
105 1HB ASP 16 2HB ASP 16 1.794 12.217 -2.059
106 2HB ASP 16 3HB ASP 16 2.861 10.855 -2.441
107 H LYS 17 H LYS 17 1.481 8.103 -2.640
108 HA LYS 17 HA LYS 17 2.679 7.459 -5.194
109 1HB LYS 17 2HB LYS 17 1.715 5.644 -2.940
110 2HB LYS 17 3HB LYS 17 2.676 5.109 -4.331
111 1HG LYS 17 2HG LYS 17 4.487 6.683 -3.674
112 2HG LYS 17 3HG LYS 17 3.569 7.119 -2.227
113 1HD LYS 17 2HD LYS 17 4.718 4.381 -2.922
114 2HD LYS 17 3HD LYS 17 5.294 5.507 -1.693
115 1HE LYS 17 2HE LYS 17 4.149 4.182 -0.293
116 2HE LYS 17 3HE LYS 17 2.787 5.219 -0.750
117 1HZ LYS 17 1HZ LYS 17 2.408 2.750 -0.837
118 2HZ LYS 17 2HZ LYS 17 2.053 3.478 -2.276
119 3HZ LYS 17 3HZ LYS 17 3.459 2.638 -2.078
120 H LYS 18 H LYS 18 2.018 6.104 -6.832
121 HA LYS 18 HA LYS 18 -0.642 6.329 -7.709
122 1HB LYS 18 2HB LYS 18 1.282 6.040 -9.200
123 2HB LYS 18 3HB LYS 18 1.512 4.385 -8.620
124 1HG LYS 18 2HG LYS 18 0.436 4.411 -10.815
125 2HG LYS 18 3HG LYS 18 -0.661 3.739 -9.604
126 1HD LYS 18 2HD LYS 18 -1.764 6.038 -9.449
127 2HD LYS 18 3HD LYS 18 -0.695 6.565 -10.752
128 1HE LYS 18 2HE LYS 18 -2.728 6.036 -11.809
129 2HE LYS 18 3HE LYS 18 -1.652 4.684 -12.177
130 1HZ LYS 18 1HZ LYS 18 -3.890 3.978 -11.493
131 2HZ LYS 18 2HZ LYS 18 -2.776 3.387 -10.445
132 3HZ LYS 18 3HZ LYS 18 -3.702 4.670 -10.018
133 H CYS 19 H CYS 19 0.767 3.761 -5.793
134 HA CYS 19 HA CYS 19 -1.993 2.676 -5.393
135 1HB CYS 19 2HB CYS 19 -1.195 0.482 -5.078
136 2HB CYS 19 3HB CYS 19 -0.623 1.004 -6.657
137 H GLN 20 H GLN 20 -2.598 2.375 -3.363
138 HA GLN 20 HA GLN 20 -0.612 2.825 -1.169
139 1HB GLN 20 2HB GLN 20 -3.637 2.677 -1.062
140 2HB GLN 20 3HB GLN 20 -2.545 2.983 0.303
141 1HG GLN 20 2HG GLN 20 -3.053 4.771 -2.108
142 2HG GLN 20 3HG GLN 20 -3.389 5.127 -0.410
143 1HE2 GLN 20 2HE2 GLN 20 -1.261 5.988 -2.876
144 2HE2 GLN 20 1HE2 GLN 20 0.082 6.380 -1.797
145 H CYS 21 H CYS 21 0.316 0.972 -2.228
146 HA CYS 21 HA CYS 21 -0.601 -1.739 -1.829
147 1HB CYS 21 2HB CYS 21 2.072 -0.330 -2.335
148 2HB CYS 21 3HB CYS 21 1.910 -2.068 -2.243
149 H ASP 22 H ASP 22 -0.979 -0.171 0.621
150 HA ASP 22 HA ASP 22 1.008 -1.312 2.533
151 1HB ASP 22 2HB ASP 22 0.204 1.609 2.304
152 2HB ASP 22 3HB ASP 22 1.329 0.933 3.493
153 H GLU 23 H GLU 23 0.530 -0.586 4.780
154 HA GLU 23 HA GLU 23 -1.708 -1.993 5.678
155 1HB GLU 23 2HB GLU 23 0.024 -0.080 7.290
156 2HB GLU 23 3HB GLU 23 -0.870 -1.485 7.885
157 1HG GLU 23 2HG GLU 23 0.571 -2.930 6.386
158 2HG GLU 23 3HG GLU 23 1.559 -1.507 6.035
159 H LEU 24 H LEU 24 -1.847 1.254 4.734
160 HA LEU 24 HA LEU 24 -4.231 1.846 6.477
161 1HB LEU 24 2HB LEU 24 -2.140 3.738 5.345
162 2HB LEU 24 3HB LEU 24 -3.570 4.229 6.243
163 HG LEU 24 HG LEU 24 -1.280 2.559 7.369
164 1HD1 LEU 24 1HD1 LEU 24 -2.112 5.447 7.870
165 2HD1 LEU 24 2HD1 LEU 24 -0.794 4.576 8.688
166 3HD1 LEU 24 3HD1 LEU 24 -0.688 4.914 6.956
167 1HD2 LEU 24 1HD2 LEU 24 -3.372 1.985 8.527
168 2HD2 LEU 24 2HD2 LEU 24 -2.366 2.992 9.569
169 3HD2 LEU 24 3HD2 LEU 24 -3.759 3.710 8.728
170 H CYS 25 H CYS 25 -3.651 0.877 3.404
171 HA CYS 25 HA CYS 25 -4.618 2.883 1.756
172 1HB CYS 25 2HB CYS 25 -4.658 1.290 0.094
173 2HB CYS 25 3HB CYS 25 -3.493 0.661 1.264
174 H SER 26 H SER 26 -6.658 0.527 3.474
175 HA SER 26 HA SER 26 -9.048 0.925 1.994
176 1HB SER 26 2HB SER 26 -8.579 -0.976 3.525
177 2HB SER 26 3HB SER 26 -8.756 0.113 4.915
178 HG SER 26 HG SER 26 -10.695 -1.056 4.393
179 H TYR 27 H TYR 27 -7.835 2.589 4.882
180 HA TYR 27 HA TYR 27 -10.056 4.310 5.389
181 1HB TYR 27 2HB TYR 27 -8.556 3.868 7.093
182 2HB TYR 27 3HB TYR 27 -7.142 4.180 6.110
183 HD1 TYR 27 1HD TYR 27 -5.933 6.088 6.452
184 HD2 TYR 27 2HD TYR 27 -10.111 6.050 7.522
185 HE1 TYR 27 1HE TYR 27 -5.700 8.369 7.400
186 HE2 TYR 27 2HE TYR 27 -9.881 8.339 8.480
187 HH TYR 27 HH TYR 27 -8.479 10.104 8.888
188 H TYR 28 H TYR 28 -7.818 4.416 2.771
189 HA TYR 28 HA TYR 28 -8.720 7.182 2.045
190 1HB TYR 28 2HB TYR 28 -6.194 5.645 1.349
191 2HB TYR 28 3HB TYR 28 -6.687 7.129 0.532
192 HD1 TYR 28 1HD TYR 28 -5.121 5.770 3.525
193 HD2 TYR 28 2HD TYR 28 -6.939 9.273 1.779
194 HE1 TYR 28 1HE TYR 28 -4.037 7.200 5.247
195 HE2 TYR 28 2HE TYR 28 -5.857 10.699 3.502
196 HH TYR 28 HH TYR 28 -4.496 10.760 5.345
197 H GLN 29 H GLN 29 -9.543 4.044 1.373
198 HA GLN 29 HA GLN 29 -10.222 2.826 -0.415
199 1HB GLN 29 2HB GLN 29 -11.432 5.438 -1.385
200 2HB GLN 29 3HB GLN 29 -11.998 3.811 -1.738
201 1HG GLN 29 2HG GLN 29 -12.089 5.229 0.955
202 2HG GLN 29 3HG GLN 29 -13.449 4.911 -0.119
203 1HE2 GLN 29 2HE2 GLN 29 -13.258 4.112 2.664
204 2HE2 GLN 29 1HE2 GLN 29 -13.183 2.355 2.705
205 H SER 30 H SER 30 -7.573 3.710 -0.739
206 HA SER 30 HA SER 30 -7.275 4.208 -3.692
207 1HB SER 30 2HB SER 30 -5.735 5.334 -1.326
208 2HB SER 30 3HB SER 30 -5.211 5.505 -3.012
209 HG SER 30 HG SER 30 -7.656 6.446 -1.892
210 H CYS 31 H CYS 31 -7.135 1.626 -2.031
211 HA CYS 31 HA CYS 31 -4.492 0.597 -2.002
212 1HB CYS 31 2HB CYS 31 -7.037 -0.937 -2.585
213 2HB CYS 31 3HB CYS 31 -5.551 -1.538 -1.842
214 H CYS 32 H CYS 32 -3.551 -1.064 -3.358
215 HA CYS 32 HA CYS 32 -3.481 -0.659 -6.200
216 1HB CYS 32 2HB CYS 32 -2.409 -3.025 -6.076
217 2HB CYS 32 3HB CYS 32 -1.577 -1.697 -5.264
218 H THR 33 H THR 33 -4.096 -2.268 -7.837
219 HA THR 33 HA THR 33 -6.840 -2.583 -8.004
220 HB THR 33 HB THR 33 -6.394 -4.057 -9.971
221 HG1 THR 33 1HG THR 33 -4.201 -4.383 -10.498
222 1HG2 THR 33 1HG2 THR 33 -5.225 -2.408 -11.310
223 2HG2 THR 33 2HG2 THR 33 -6.295 -1.570 -10.175
224 3HG2 THR 33 3HG2 THR 33 -4.546 -1.634 -9.863
225 H ASP 34 H ASP 34 -4.695 -4.974 -6.581
226 HA ASP 34 HA ASP 34 -7.035 -6.696 -5.981
227 1HB ASP 34 2HB ASP 34 -5.880 -7.412 -8.140
228 2HB ASP 34 3HB ASP 34 -4.465 -7.820 -7.159
229 H TYR 35 H TYR 35 -5.814 -4.963 -4.247
230 HA TYR 35 HA TYR 35 -3.652 -5.504 -2.768
231 1HB TYR 35 2HB TYR 35 -5.129 -3.601 -2.403
232 2HB TYR 35 3HB TYR 35 -6.370 -4.651 -1.720
233 HD1 TYR 35 1HD TYR 35 -3.182 -2.905 -1.096
234 HD2 TYR 35 2HD TYR 35 -6.142 -5.569 0.571
235 HE1 TYR 35 1HE TYR 35 -2.352 -2.400 1.166
236 HE2 TYR 35 2HE TYR 35 -5.301 -5.045 2.859
237 HH TYR 35 HH TYR 35 -2.811 -2.527 3.373
238 H THR 36 H THR 36 -6.764 -7.084 -1.844
239 HA THR 36 HA THR 36 -5.665 -8.438 0.348
240 HB THR 36 HB THR 36 -8.036 -9.617 -1.080
241 HG1 THR 36 1HG THR 36 -9.310 -7.928 -0.339
242 1HG2 THR 36 1HG2 THR 36 -7.479 -8.798 1.816
243 2HG2 THR 36 2HG2 THR 36 -8.961 -9.594 1.235
244 3HG2 THR 36 3HG2 THR 36 -7.421 -10.455 1.179
245 H ALA 37 H ALA 37 -5.200 -9.305 -2.950
246 HA ALA 37 HA ALA 37 -4.279 -12.041 -2.133
247 1HB ALA 37 1HB ALA 37 -6.281 -12.103 -3.560
248 2HB ALA 37 2HB ALA 37 -5.426 -11.155 -4.799
249 3HB ALA 37 3HB ALA 37 -4.864 -12.786 -4.381
250 H GLU 38 H GLU 38 -3.347 -9.058 -3.765
251 HA GLU 38 HA GLU 38 -0.695 -10.285 -4.468
252 1HB GLU 38 2HB GLU 38 -2.318 -8.057 -5.738
253 2HB GLU 38 3HB GLU 38 -0.622 -8.345 -6.129
254 1HG GLU 38 2HG GLU 38 -2.872 -10.362 -6.495
255 2HG GLU 38 3HG GLU 38 -2.148 -9.379 -7.766
256 H CYS 39 H CYS 39 -2.084 -7.745 -2.476
257 HA CYS 39 HA CYS 39 0.665 -6.656 -2.069
258 1HB CYS 39 2HB CYS 39 -1.749 -5.024 -1.516
259 2HB CYS 39 3HB CYS 39 -0.140 -4.494 -1.910
260 H LYS 40 H LYS 40 -1.933 -8.183 -0.502
261 HA LYS 40 HA LYS 40 -2.388 -7.140 1.845
262 1HB LYS 40 2HB LYS 40 -3.299 -9.231 0.890
263 2HB LYS 40 3HB LYS 40 -1.908 -10.110 1.542
264 1HG LYS 40 2HG LYS 40 -2.530 -9.366 3.835
265 2HG LYS 40 3HG LYS 40 -3.891 -8.436 3.164
266 1HD LYS 40 2HD LYS 40 -4.904 -10.532 2.316
267 2HD LYS 40 3HD LYS 40 -3.534 -11.459 2.969
268 1HE LYS 40 2HE LYS 40 -4.070 -10.569 5.235
269 2HE LYS 40 3HE LYS 40 -5.481 -9.737 4.572
270 1HZ LYS 40 1HZ LYS 40 -5.084 -12.687 4.552
271 2HZ LYS 40 2HZ LYS 40 -6.117 -11.879 5.525
272 3HZ LYS 40 3HZ LYS 40 -6.376 -11.917 3.915
273 HA PRO 41 HA PRO 41 1.566 -6.840 4.123
274 1HB PRO 41 2HB PRO 41 -0.430 -5.622 6.028
275 2HB PRO 41 3HB PRO 41 1.221 -5.065 5.605
276 1HG PRO 41 2HG PRO 41 -0.947 -3.856 4.544
277 2HG PRO 41 3HG PRO 41 0.467 -4.219 3.498
278 1HD PRO 41 2HD PRO 41 -2.117 -5.786 3.771
279 2HD PRO 41 3HD PRO 41 -1.231 -5.319 2.299
280 H GLN 42 H GLN 42 1.909 -7.120 6.633
281 HA GLN 42 HA GLN 42 1.906 -9.728 7.368
282 1HB GLN 42 2HB GLN 42 2.299 -8.977 9.663
283 2HB GLN 42 3HB GLN 42 3.214 -8.049 8.466
284 1HG GLN 42 2HG GLN 42 1.524 -6.199 8.648
285 2HG GLN 42 3HG GLN 42 0.695 -7.100 9.917
286 1HE2 GLN 42 2HE2 GLN 42 2.323 -4.425 9.819
287 2HE2 GLN 42 1HE2 GLN 42 3.423 -4.638 11.192
288 H VAL 43 H VAL 43 0.679 -11.247 8.140
289 HA VAL 43 HA VAL 43 -2.195 -10.782 8.738
290 HB VAL 43 HB VAL 43 -0.613 -13.340 8.249
291 1HG1 VAL 43 1HG1 VAL 43 -3.624 -12.919 8.513
292 2HG1 VAL 43 2HG1 VAL 43 -2.849 -14.403 7.925
293 3HG1 VAL 43 3HG1 VAL 43 -2.590 -13.894 9.587
294 1HG2 VAL 43 1HG2 VAL 43 -0.794 -11.962 6.206
295 2HG2 VAL 43 2HG2 VAL 43 -1.827 -13.385 6.081
296 3HG2 VAL 43 3HG2 VAL 43 -2.543 -11.801 6.457
297 H THR 44 H THR 44 -3.185 -11.594 10.621
298 HA THR 44 HA THR 44 -2.135 -10.997 13.064
299 HB THR 44 HB THR 44 -4.191 -13.189 12.603
300 HG1 THR 44 1HG THR 44 -5.671 -11.494 12.483
301 1HG2 THR 44 1HG2 THR 44 -3.630 -12.840 14.988
302 2HG2 THR 44 2HG2 THR 44 -3.893 -11.089 14.806
303 3HG2 THR 44 3HG2 THR 44 -5.248 -12.229 14.637
304 H ARG 45 H ARG 45 -1.013 -11.919 14.691
305 HA ARG 45 HA ARG 45 -0.306 -14.785 14.720
306 1HB ARG 45 2HB ARG 45 1.367 -13.097 13.314
307 2HB ARG 45 3HB ARG 45 2.010 -12.863 14.927
308 1HG ARG 45 2HG ARG 45 3.302 -14.604 13.964
309 2HG ARG 45 3HG ARG 45 2.204 -15.430 15.074
310 1HD ARG 45 2HD ARG 45 2.160 -16.740 13.129
311 2HD ARG 45 3HD ARG 45 0.663 -15.822 13.042
312 HE ARG 45 HE ARG 45 3.183 -15.061 11.579
313 1HH1 ARG 45 2HH2 ARG 45 -0.323 -15.224 11.408
314 2HH1 ARG 45 1HH2 ARG 45 -0.305 -15.272 9.667
315 1HH2 ARG 45 2HH1 ARG 45 3.090 -14.846 9.394
316 2HH2 ARG 45 1HH1 ARG 45 1.562 -14.902 8.570
317 H GLY 46 H GLY 46 1.119 -15.275 16.656
318 1HA GLY 46 2HA GLY 46 0.020 -14.108 19.097
319 2HA GLY 46 3HA GLY 46 1.159 -15.447 18.968
320 H ASP 47 H ASP 47 2.120 -12.597 17.277
321 HA ASP 47 HA ASP 47 3.638 -11.382 19.480
322 1HB ASP 47 2HB ASP 47 5.108 -13.193 18.556
323 2HB ASP 47 3HB ASP 47 4.966 -12.465 16.954
324 H VAL 48 H VAL 48 4.440 -9.231 18.869
325 HA VAL 48 HA VAL 48 3.195 -7.976 16.492
326 HB VAL 48 HB VAL 48 1.463 -8.196 18.288
327 1HG1 VAL 48 1HG1 VAL 48 2.885 -7.836 20.283
328 2HG1 VAL 48 2HG1 VAL 48 3.098 -6.134 19.816
329 3HG1 VAL 48 3HG1 VAL 48 1.489 -6.750 20.235
330 1HG2 VAL 48 1HG2 VAL 48 0.496 -6.052 18.039
331 2HG2 VAL 48 2HG2 VAL 48 2.048 -5.284 17.694
332 3HG2 VAL 48 3HG2 VAL 48 1.336 -6.433 16.529
333 H PHE 49 H PHE 49 3.687 -5.680 16.299
334 HA PHE 49 HA PHE 49 6.434 -5.005 17.277
335 1HB PHE 49 2HB PHE 49 5.037 -4.227 14.693
336 2HB PHE 49 3HB PHE 49 6.699 -3.835 15.142
337 HD1 PHE 49 1HD PHE 49 4.624 -6.197 13.436
338 HD2 PHE 49 2HD PHE 49 8.320 -5.826 15.627
339 HE1 PHE 49 1HE PHE 49 5.457 -8.282 12.383
340 HE2 PHE 49 2HE PHE 49 9.149 -7.920 14.576
341 HZ PHE 49 HZ PHE 49 7.721 -9.150 12.951
342 H THR 50 H THR 50 6.654 -2.411 16.595
343 HA THR 50 HA THR 50 5.258 -0.977 18.664
344 HB THR 50 HB THR 50 6.437 1.008 17.648
345 HG1 THR 50 1HG THR 50 7.905 0.560 15.997
346 1HG2 THR 50 1HG2 THR 50 7.530 -0.386 19.386
347 2HG2 THR 50 2HG2 THR 50 8.209 -1.434 18.121
348 3HG2 THR 50 3HG2 THR 50 8.697 0.270 18.228
349 H MET 51 H MET 51 4.292 -1.667 15.461
350 HA MET 51 HA MET 51 2.806 0.597 14.655
351 1HB MET 51 2HB MET 51 3.401 -1.359 13.238
352 2HB MET 51 3HB MET 51 2.249 -2.350 14.135
353 1HG MET 51 2HG MET 51 1.271 -1.672 12.053
354 2HG MET 51 3HG MET 51 0.401 -0.874 13.368
355 1HE MET 51 1HE MET 51 -0.743 0.649 11.475
356 2HE MET 51 2HE MET 51 0.180 1.608 10.296
357 3HE MET 51 3HE MET 51 0.227 -0.168 10.228
Start of MODEL 9
1 1H ASP 1 1H ASP 1 3.577 -1.656 -18.791
2 2H ASP 1 2H ASP 1 3.915 -0.058 -18.679
3 3H ASP 1 3H ASP 1 5.118 -1.122 -19.017
4 HA ASP 1 HA ASP 1 4.846 -2.169 -16.852
5 1HB ASP 1 2HB ASP 1 5.490 0.810 -16.849
6 2HB ASP 1 3HB ASP 1 5.802 -0.293 -15.498
7 H GLN 2 H GLN 2 3.900 -2.159 -14.778
8 HA GLN 2 HA GLN 2 1.576 -0.435 -14.209
9 1HB GLN 2 2HB GLN 2 0.749 -2.311 -15.666
10 2HB GLN 2 3HB GLN 2 1.360 -3.471 -14.482
11 1HG GLN 2 2HG GLN 2 -0.242 -2.610 -12.799
12 2HG GLN 2 3HG GLN 2 -0.752 -1.344 -13.921
13 1HE2 GLN 2 2HE2 GLN 2 -2.955 -2.003 -14.085
14 2HE2 GLN 2 1HE2 GLN 2 -3.400 -3.551 -14.802
15 H GLU 3 H GLU 3 1.022 -0.450 -11.961
16 HA GLU 3 HA GLU 3 3.143 -1.221 -10.138
17 1HB GLU 3 2HB GLU 3 0.320 -0.161 -9.729
18 2HB GLU 3 3HB GLU 3 1.386 -0.561 -8.377
19 1HG GLU 3 2HG GLU 3 2.133 1.467 -10.522
20 2HG GLU 3 3HG GLU 3 1.283 1.869 -9.033
21 H SER 4 H SER 4 3.433 -2.950 -8.953
22 HA SER 4 HA SER 4 1.231 -4.664 -8.082
23 1HB SER 4 2HB SER 4 1.951 -5.744 -10.199
24 2HB SER 4 3HB SER 4 3.608 -5.874 -9.557
25 HG SER 4 HG SER 4 2.192 -7.762 -9.264
26 H CYS 5 H CYS 5 1.837 -5.916 -6.251
27 HA CYS 5 HA CYS 5 3.624 -4.366 -4.563
28 1HB CYS 5 2HB CYS 5 1.229 -5.104 -4.192
29 2HB CYS 5 3HB CYS 5 1.868 -6.699 -3.757
30 H LYS 6 H LYS 6 4.879 -6.519 -6.448
31 HA LYS 6 HA LYS 6 5.650 -8.749 -4.785
32 1HB LYS 6 2HB LYS 6 6.961 -7.830 -7.352
33 2HB LYS 6 3HB LYS 6 7.046 -9.433 -6.617
34 1HG LYS 6 2HG LYS 6 4.639 -8.131 -7.957
35 2HG LYS 6 3HG LYS 6 5.609 -9.485 -8.520
36 1HD LYS 6 2HD LYS 6 3.664 -10.478 -7.811
37 2HD LYS 6 3HD LYS 6 4.757 -10.773 -6.450
38 1HE LYS 6 2HE LYS 6 3.696 -8.878 -5.228
39 2HE LYS 6 3HE LYS 6 2.679 -8.530 -6.633
40 1HZ LYS 6 1HZ LYS 6 1.561 -9.827 -4.883
41 2HZ LYS 6 2HZ LYS 6 1.547 -10.614 -6.312
42 3HZ LYS 6 3HZ LYS 6 2.587 -11.086 -5.125
43 H GLY 7 H GLY 7 6.598 -8.265 -2.956
44 1HA GLY 7 2HA GLY 7 8.442 -7.996 -1.551
45 2HA GLY 7 3HA GLY 7 9.395 -7.331 -2.888
46 H ARG 8 H ARG 8 6.201 -5.989 -2.160
47 HA ARG 8 HA ARG 8 7.517 -3.461 -1.148
48 1HB ARG 8 2HB ARG 8 5.320 -3.868 -3.198
49 2HB ARG 8 3HB ARG 8 5.750 -2.306 -2.515
50 1HG ARG 8 2HG ARG 8 7.984 -2.398 -3.445
51 2HG ARG 8 3HG ARG 8 7.717 -4.052 -4.028
52 1HD ARG 8 2HD ARG 8 7.460 -2.456 -5.838
53 2HD ARG 8 3HD ARG 8 5.945 -3.313 -5.510
54 HE ARG 8 HE ARG 8 5.831 -0.909 -4.013
55 1HH1 ARG 8 1HH1 ARG 8 5.818 -1.765 -7.415
56 2HH1 ARG 8 2HH1 ARG 8 5.035 -0.250 -7.855
57 1HH2 ARG 8 1HH2 ARG 8 4.767 0.784 -4.571
58 2HH2 ARG 8 2HH2 ARG 8 4.303 1.104 -6.267
59 H CYS 9 H CYS 9 4.685 -5.458 -0.676
60 HA CYS 9 HA CYS 9 2.837 -3.858 0.263
61 1HB CYS 9 2HB CYS 9 3.353 -6.601 1.401
62 2HB CYS 9 3HB CYS 9 1.801 -5.782 1.162
63 H THR 10 H THR 10 5.370 -3.134 1.827
64 HA THR 10 HA THR 10 4.004 -2.197 4.250
65 HB THR 10 HB THR 10 5.985 -2.745 5.675
66 HG1 THR 10 1HG THR 10 7.423 -4.300 4.927
67 1HG2 THR 10 1HG2 THR 10 4.744 -5.263 4.505
68 2HG2 THR 10 2HG2 THR 10 5.465 -5.053 6.113
69 3HG2 THR 10 3HG2 THR 10 3.961 -4.210 5.703
70 H GLU 11 H GLU 11 5.301 -1.261 1.536
71 HA GLU 11 HA GLU 11 7.653 0.166 2.017
72 1HB GLU 11 2HB GLU 11 7.152 1.353 -0.059
73 2HB GLU 11 3HB GLU 11 6.985 -0.387 -0.220
74 1HG GLU 11 2HG GLU 11 4.555 -0.213 -0.286
75 2HG GLU 11 3HG GLU 11 4.613 1.485 0.210
76 H GLY 12 H GLY 12 4.589 1.126 3.128
77 1HA GLY 12 2HA GLY 12 4.206 2.859 4.629
78 2HA GLY 12 3HA GLY 12 5.649 3.710 4.089
79 H PHE 13 H PHE 13 2.850 4.524 4.555
80 HA PHE 13 HA PHE 13 1.459 5.009 2.131
81 1HB PHE 13 2HB PHE 13 0.272 4.791 4.156
82 2HB PHE 13 3HB PHE 13 1.258 6.013 4.980
83 HD1 PHE 13 1HD PHE 13 -0.785 5.899 1.795
84 HD2 PHE 13 2HD PHE 13 -0.021 7.871 5.559
85 HE1 PHE 13 1HE PHE 13 -2.662 7.431 1.378
86 HE2 PHE 13 2HE PHE 13 -1.878 9.452 5.105
87 HZ PHE 13 HZ PHE 13 -3.222 9.222 3.025
88 H ASN 14 H ASN 14 1.376 6.575 0.756
89 HA ASN 14 HA ASN 14 1.857 9.354 1.344
90 1HB ASN 14 2HB ASN 14 4.193 8.810 0.845
91 2HB ASN 14 3HB ASN 14 3.702 7.941 -0.618
92 1HD2 ASN 14 2HD2 ASN 14 5.431 9.531 -1.468
93 2HD2 ASN 14 1HD2 ASN 14 4.781 11.061 -2.048
94 H VAL 15 H VAL 15 -0.222 9.715 0.740
95 HA VAL 15 HA VAL 15 -1.672 8.217 -1.082
96 HB VAL 15 HB VAL 15 -2.429 9.640 0.821
97 1HG1 VAL 15 1HG1 VAL 15 -3.264 11.796 0.544
98 2HG1 VAL 15 2HG1 VAL 15 -1.535 11.785 0.183
99 3HG1 VAL 15 3HG1 VAL 15 -2.718 11.872 -1.157
100 1HG2 VAL 15 1HG2 VAL 15 -4.680 9.805 0.052
101 2HG2 VAL 15 2HG2 VAL 15 -4.158 9.717 -1.646
102 3HG2 VAL 15 3HG2 VAL 15 -3.935 8.322 -0.556
103 H ASP 16 H ASP 16 0.557 10.605 -2.022
104 HA ASP 16 HA ASP 16 -0.583 11.259 -4.618
105 1HB ASP 16 2HB ASP 16 1.033 12.661 -3.309
106 2HB ASP 16 3HB ASP 16 2.275 11.439 -3.624
107 H LYS 17 H LYS 17 1.124 8.439 -3.435
108 HA LYS 17 HA LYS 17 2.453 7.647 -5.876
109 1HB LYS 17 2HB LYS 17 1.519 6.024 -3.472
110 2HB LYS 17 3HB LYS 17 2.496 5.366 -4.784
111 1HG LYS 17 2HG LYS 17 4.365 6.779 -4.229
112 2HG LYS 17 3HG LYS 17 3.415 7.669 -3.014
113 1HD LYS 17 2HD LYS 17 3.134 5.643 -1.668
114 2HD LYS 17 3HD LYS 17 3.912 4.658 -2.925
115 1HE LYS 17 2HE LYS 17 6.036 5.853 -2.586
116 2HE LYS 17 3HE LYS 17 5.298 6.854 -1.323
117 1HZ LYS 17 1HZ LYS 17 5.548 3.897 -1.247
118 2HZ LYS 17 2HZ LYS 17 6.498 4.929 -0.400
119 3HZ LYS 17 3HZ LYS 17 4.906 4.795 -0.033
120 H LYS 18 H LYS 18 1.976 5.976 -7.319
121 HA LYS 18 HA LYS 18 -0.665 5.986 -8.434
122 1HB LYS 18 2HB LYS 18 1.932 4.599 -9.063
123 2HB LYS 18 3HB LYS 18 0.451 3.984 -9.806
124 1HG LYS 18 2HG LYS 18 1.459 5.513 -11.328
125 2HG LYS 18 3HG LYS 18 -0.043 6.228 -10.714
126 1HD LYS 18 2HD LYS 18 1.319 7.621 -9.129
127 2HD LYS 18 3HD LYS 18 2.787 6.882 -9.769
128 1HE LYS 18 2HE LYS 18 2.564 9.015 -10.805
129 2HE LYS 18 3HE LYS 18 2.244 7.789 -12.034
130 1HZ LYS 18 1HZ LYS 18 -0.144 8.225 -11.735
131 2HZ LYS 18 2HZ LYS 18 0.162 9.337 -10.571
132 3HZ LYS 18 3HZ LYS 18 0.627 9.609 -12.109
133 H CYS 19 H CYS 19 0.720 3.838 -6.111
134 HA CYS 19 HA CYS 19 -1.940 2.568 -5.725
135 1HB CYS 19 2HB CYS 19 -1.103 0.420 -5.345
136 2HB CYS 19 3HB CYS 19 -0.465 0.867 -6.928
137 H GLN 20 H GLN 20 -2.265 1.948 -3.585
138 HA GLN 20 HA GLN 20 -0.244 2.901 -1.587
139 1HB GLN 20 2HB GLN 20 -3.235 2.638 -1.211
140 2HB GLN 20 3HB GLN 20 -2.044 3.198 -0.032
141 1HG GLN 20 2HG GLN 20 -2.738 4.588 -2.666
142 2HG GLN 20 3HG GLN 20 -3.195 5.150 -1.070
143 1HE2 GLN 20 2HE2 GLN 20 -1.407 6.324 -3.344
144 2HE2 GLN 20 1HE2 GLN 20 -0.012 6.820 -2.375
145 H CYS 21 H CYS 21 0.712 0.999 -2.426
146 HA CYS 21 HA CYS 21 -0.276 -1.677 -1.818
147 1HB CYS 21 2HB CYS 21 2.462 -0.615 -2.688
148 2HB CYS 21 3HB CYS 21 1.989 -2.305 -2.592
149 H ASP 22 H ASP 22 -0.547 -0.430 0.531
150 HA ASP 22 HA ASP 22 1.621 -1.369 2.322
151 1HB ASP 22 2HB ASP 22 2.298 0.879 1.551
152 2HB ASP 22 3HB ASP 22 0.736 1.532 2.059
153 H GLU 23 H GLU 23 1.071 -0.946 4.632
154 HA GLU 23 HA GLU 23 -1.153 -2.480 5.281
155 1HB GLU 23 2HB GLU 23 0.407 -0.597 7.092
156 2HB GLU 23 3HB GLU 23 -0.581 -1.968 7.608
157 1HG GLU 23 2HG GLU 23 0.930 -3.483 6.261
158 2HG GLU 23 3HG GLU 23 1.982 -2.097 5.959
159 H LEU 24 H LEU 24 -1.244 1.026 4.956
160 HA LEU 24 HA LEU 24 -3.651 1.253 6.693
161 1HB LEU 24 2HB LEU 24 -1.989 3.389 5.319
162 2HB LEU 24 3HB LEU 24 -3.259 3.658 6.511
163 HG LEU 24 HG LEU 24 -0.555 2.373 6.977
164 1HD1 LEU 24 1HD1 LEU 24 -1.782 4.959 8.007
165 2HD1 LEU 24 2HD1 LEU 24 -0.160 4.335 8.389
166 3HD1 LEU 24 3HD1 LEU 24 -0.551 4.822 6.732
167 1HD2 LEU 24 1HD2 LEU 24 -2.835 2.834 8.953
168 2HD2 LEU 24 2HD2 LEU 24 -2.175 1.259 8.454
169 3HD2 LEU 24 3HD2 LEU 24 -1.176 2.368 9.394
170 H CYS 25 H CYS 25 -3.287 0.541 3.462
171 HA CYS 25 HA CYS 25 -4.671 2.556 2.200
172 1HB CYS 25 2HB CYS 25 -4.611 1.306 0.277
173 2HB CYS 25 3HB CYS 25 -3.215 0.802 1.235
174 H SER 26 H SER 26 -6.307 0.182 4.061
175 HA SER 26 HA SER 26 -8.906 0.601 2.795
176 1HB SER 26 2HB SER 26 -8.266 -1.462 3.954
177 2HB SER 26 3HB SER 26 -8.189 -0.583 5.499
178 HG SER 26 HG SER 26 -10.208 -1.657 5.171
179 H TYR 27 H TYR 27 -7.093 2.321 5.309
180 HA TYR 27 HA TYR 27 -9.373 3.666 6.499
181 1HB TYR 27 2HB TYR 27 -7.714 3.661 8.004
182 2HB TYR 27 3HB TYR 27 -6.442 3.635 6.819
183 HD1 TYR 27 1HD TYR 27 -8.930 6.012 8.359
184 HD2 TYR 27 2HD TYR 27 -5.083 5.477 6.489
185 HE1 TYR 27 1HE TYR 27 -8.395 8.413 8.763
186 HE2 TYR 27 2HE TYR 27 -4.578 7.904 6.814
187 HH TYR 27 HH TYR 27 -6.877 10.103 8.478
188 H TYR 28 H TYR 28 -7.323 4.428 3.723
189 HA TYR 28 HA TYR 28 -9.085 6.773 3.129
190 1HB TYR 28 2HB TYR 28 -7.088 7.704 1.887
191 2HB TYR 28 3HB TYR 28 -7.007 7.669 3.645
192 HD1 TYR 28 1HD TYR 28 -5.060 6.860 4.662
193 HD2 TYR 28 2HD TYR 28 -6.021 5.575 0.682
194 HE1 TYR 28 1HE TYR 28 -3.054 5.409 4.670
195 HE2 TYR 28 2HE TYR 28 -4.002 4.151 0.669
196 HH TYR 28 HH TYR 28 -2.160 3.381 1.859
197 H GLN 29 H GLN 29 -9.080 3.769 2.306
198 HA GLN 29 HA GLN 29 -9.653 2.493 0.534
199 1HB GLN 29 2HB GLN 29 -11.397 4.886 -0.142
200 2HB GLN 29 3HB GLN 29 -11.675 3.200 -0.558
201 1HG GLN 29 2HG GLN 29 -13.116 3.502 1.215
202 2HG GLN 29 3HG GLN 29 -11.727 2.715 1.971
203 1HE2 GLN 29 2HE2 GLN 29 -11.316 3.635 3.971
204 2HE2 GLN 29 1HE2 GLN 29 -11.480 5.356 4.326
205 H SER 30 H SER 30 -7.215 3.402 -0.231
206 HA SER 30 HA SER 30 -7.512 3.882 -3.188
207 1HB SER 30 2HB SER 30 -5.500 5.279 -1.401
208 2HB SER 30 3HB SER 30 -5.632 5.428 -3.161
209 HG SER 30 HG SER 30 -7.639 6.173 -1.271
210 H CYS 31 H CYS 31 -6.935 1.390 -1.683
211 HA CYS 31 HA CYS 31 -4.271 0.511 -1.836
212 1HB CYS 31 2HB CYS 31 -6.783 -1.093 -2.424
213 2HB CYS 31 3HB CYS 31 -5.216 -1.691 -1.869
214 H CYS 32 H CYS 32 -3.307 -1.124 -3.300
215 HA CYS 32 HA CYS 32 -3.265 -0.534 -6.085
216 1HB CYS 32 2HB CYS 32 -2.502 -3.147 -6.046
217 2HB CYS 32 3HB CYS 32 -1.438 -1.802 -5.680
218 H THR 33 H THR 33 -4.088 -1.673 -7.885
219 HA THR 33 HA THR 33 -6.867 -2.100 -7.854
220 HB THR 33 HB THR 33 -6.437 -3.019 -10.213
221 HG1 THR 33 1HG THR 33 -4.348 -2.746 -10.965
222 1HG2 THR 33 1HG2 THR 33 -5.794 -0.828 -11.097
223 2HG2 THR 33 2HG2 THR 33 -6.939 -0.634 -9.760
224 3HG2 THR 33 3HG2 THR 33 -5.210 -0.316 -9.497
225 H ASP 34 H ASP 34 -4.464 -4.441 -7.069
226 HA ASP 34 HA ASP 34 -6.569 -6.564 -6.980
227 1HB ASP 34 2HB ASP 34 -3.677 -6.821 -7.890
228 2HB ASP 34 3HB ASP 34 -4.728 -8.197 -7.531
229 H TYR 35 H TYR 35 -5.308 -4.636 -4.858
230 HA TYR 35 HA TYR 35 -3.585 -5.705 -3.125
231 1HB TYR 35 2HB TYR 35 -4.681 -3.562 -2.820
232 2HB TYR 35 3HB TYR 35 -6.174 -4.367 -2.337
233 HD1 TYR 35 1HD TYR 35 -2.890 -3.150 -1.206
234 HD2 TYR 35 2HD TYR 35 -6.281 -5.617 -0.147
235 HE1 TYR 35 1HE TYR 35 -2.203 -3.079 1.159
236 HE2 TYR 35 2HE TYR 35 -5.583 -5.520 2.238
237 HH TYR 35 HH TYR 35 -2.760 -3.595 3.303
238 H THR 36 H THR 36 -7.019 -6.773 -2.914
239 HA THR 36 HA THR 36 -6.538 -8.548 -0.709
240 HB THR 36 HB THR 36 -8.825 -9.448 -1.387
241 HG1 THR 36 1HG THR 36 -9.930 -8.198 -2.900
242 1HG2 THR 36 1HG2 THR 36 -9.972 -7.427 -0.597
243 2HG2 THR 36 2HG2 THR 36 -8.455 -7.635 0.298
244 3HG2 THR 36 3HG2 THR 36 -8.554 -6.428 -0.996
245 H ALA 37 H ALA 37 -5.650 -9.016 -3.914
246 HA ALA 37 HA ALA 37 -5.373 -11.972 -3.479
247 1HB ALA 37 1HB ALA 37 -6.930 -11.412 -5.304
248 2HB ALA 37 2HB ALA 37 -5.668 -10.436 -6.091
249 3HB ALA 37 3HB ALA 37 -5.461 -12.192 -5.922
250 H GLU 38 H GLU 38 -3.722 -9.010 -4.548
251 HA GLU 38 HA GLU 38 -1.158 -10.517 -4.871
252 1HB GLU 38 2HB GLU 38 -2.265 -8.037 -6.227
253 2HB GLU 38 3HB GLU 38 -0.604 -8.588 -6.433
254 1HG GLU 38 2HG GLU 38 -3.092 -10.179 -7.178
255 2HG GLU 38 3HG GLU 38 -2.063 -9.284 -8.290
256 H CYS 39 H CYS 39 -2.491 -7.930 -2.908
257 HA CYS 39 HA CYS 39 0.303 -7.174 -2.164
258 1HB CYS 39 2HB CYS 39 -1.946 -5.298 -1.740
259 2HB CYS 39 3HB CYS 39 -0.268 -4.946 -1.869
260 H LYS 40 H LYS 40 -2.616 -8.478 -0.966
261 HA LYS 40 HA LYS 40 -2.958 -7.627 1.528
262 1HB LYS 40 2HB LYS 40 -3.752 -9.901 2.161
263 2HB LYS 40 3HB LYS 40 -4.480 -9.127 0.759
264 1HG LYS 40 2HG LYS 40 -3.267 -10.549 -0.781
265 2HG LYS 40 3HG LYS 40 -2.328 -11.279 0.543
266 1HD LYS 40 2HD LYS 40 -4.329 -12.262 1.512
267 2HD LYS 40 3HD LYS 40 -5.362 -11.398 0.366
268 1HE LYS 40 2HE LYS 40 -4.168 -12.620 -1.512
269 2HE LYS 40 3HE LYS 40 -3.332 -13.580 -0.285
270 1HZ LYS 40 1HZ LYS 40 -6.280 -13.454 -0.666
271 2HZ LYS 40 2HZ LYS 40 -5.327 -14.715 -1.082
272 3HZ LYS 40 3HZ LYS 40 -5.532 -14.337 0.491
273 HA PRO 41 HA PRO 41 1.022 -8.524 3.489
274 1HB PRO 41 2HB PRO 41 0.746 -6.879 5.662
275 2HB PRO 41 3HB PRO 41 1.060 -6.285 4.005
276 1HG PRO 41 2HG PRO 41 -1.569 -6.374 5.489
277 2HG PRO 41 3HG PRO 41 -0.905 -5.080 4.433
278 1HD PRO 41 2HD PRO 41 -2.734 -6.974 3.586
279 2HD PRO 41 3HD PRO 41 -1.606 -6.109 2.518
280 H GLN 42 H GLN 42 1.589 -9.030 5.953
281 HA GLN 42 HA GLN 42 0.231 -11.476 6.640
282 1HB GLN 42 2HB GLN 42 2.689 -11.035 6.753
283 2HB GLN 42 3HB GLN 42 2.410 -10.001 8.167
284 1HG GLN 42 2HG GLN 42 1.478 -11.975 9.383
285 2HG GLN 42 3HG GLN 42 1.676 -12.962 7.932
286 1HE2 GLN 42 1HE2 GLN 42 3.503 -14.269 8.062
287 2HE2 GLN 42 2HE2 GLN 42 4.978 -13.802 8.910
288 H VAL 43 H VAL 43 -1.888 -10.306 6.864
289 HA VAL 43 HA VAL 43 -2.519 -8.826 9.263
290 HB VAL 43 HB VAL 43 -4.866 -9.004 8.477
291 1HG1 VAL 43 1HG1 VAL 43 -4.589 -7.637 6.503
292 2HG1 VAL 43 2HG1 VAL 43 -3.357 -7.209 7.701
293 3HG1 VAL 43 3HG1 VAL 43 -2.921 -8.196 6.288
294 1HG2 VAL 43 1HG2 VAL 43 -4.762 -11.252 7.362
295 2HG2 VAL 43 2HG2 VAL 43 -5.404 -9.981 6.313
296 3HG2 VAL 43 3HG2 VAL 43 -3.741 -10.550 6.090
297 H THR 44 H THR 44 -1.286 -11.082 10.155
298 HA THR 44 HA THR 44 -3.158 -13.073 11.226
299 HB THR 44 HB THR 44 -1.170 -13.873 12.460
300 HG1 THR 44 1HG THR 44 0.798 -12.843 12.106
301 1HG2 THR 44 1HG2 THR 44 -0.559 -13.312 9.528
302 2HG2 THR 44 2HG2 THR 44 0.207 -14.542 10.558
303 3HG2 THR 44 3HG2 THR 44 -1.515 -14.668 10.160
304 H ARG 45 H ARG 45 -2.479 -13.406 13.810
305 HA ARG 45 HA ARG 45 -4.111 -11.792 15.364
306 1HB ARG 45 2HB ARG 45 -3.162 -14.033 15.915
307 2HB ARG 45 3HB ARG 45 -1.598 -13.282 16.243
308 1HG ARG 45 2HG ARG 45 -2.633 -11.965 18.096
309 2HG ARG 45 3HG ARG 45 -4.194 -12.746 17.769
310 1HD ARG 45 2HD ARG 45 -1.614 -14.166 18.566
311 2HD ARG 45 3HD ARG 45 -2.917 -13.728 19.683
312 HE ARG 45 HE ARG 45 -4.183 -15.228 17.717
313 1HH1 ARG 45 1HH2 ARG 45 -1.605 -15.897 19.996
314 2HH1 ARG 45 2HH2 ARG 45 -1.967 -17.601 20.042
315 1HH2 ARG 45 1HH1 ARG 45 -4.581 -17.411 17.816
316 2HH2 ARG 45 2HH1 ARG 45 -3.613 -18.427 18.844
317 H GLY 46 H GLY 46 -0.761 -11.062 14.537
318 1HA GLY 46 2HA GLY 46 0.317 -9.012 14.632
319 2HA GLY 46 3HA GLY 46 -1.069 -8.312 15.469
320 H ASP 47 H ASP 47 0.163 -11.148 16.998
321 HA ASP 47 HA ASP 47 1.212 -9.638 19.259
322 1HB ASP 47 2HB ASP 47 -0.215 -11.744 19.370
323 2HB ASP 47 3HB ASP 47 1.183 -12.647 18.787
324 H VAL 48 H VAL 48 2.574 -10.104 16.489
325 HA VAL 48 HA VAL 48 5.385 -10.063 17.392
326 HB VAL 48 HB VAL 48 6.094 -11.593 15.571
327 1HG1 VAL 48 1HG1 VAL 48 5.883 -12.418 17.897
328 2HG1 VAL 48 2HG1 VAL 48 4.236 -12.982 17.534
329 3HG1 VAL 48 3HG1 VAL 48 5.625 -13.683 16.683
330 1HG2 VAL 48 1HG2 VAL 48 4.091 -11.499 14.106
331 2HG2 VAL 48 2HG2 VAL 48 4.532 -13.157 14.529
332 3HG2 VAL 48 3HG2 VAL 48 3.156 -12.381 15.334
333 H PHE 49 H PHE 49 6.832 -9.295 15.629
334 HA PHE 49 HA PHE 49 5.426 -7.485 13.689
335 1HB PHE 49 2HB PHE 49 6.137 -6.347 15.768
336 2HB PHE 49 3HB PHE 49 7.803 -6.857 15.471
337 HD1 PHE 49 1HD PHE 49 4.970 -4.957 13.866
338 HD2 PHE 49 2HD PHE 49 9.242 -5.398 14.279
339 HE1 PHE 49 1HE PHE 49 5.315 -2.906 12.506
340 HE2 PHE 49 2HE PHE 49 9.581 -3.343 12.925
341 HZ PHE 49 HZ PHE 49 7.621 -2.096 12.035
342 H THR 50 H THR 50 8.091 -9.732 14.117
343 HA THR 50 HA THR 50 9.563 -8.982 11.722
344 HB THR 50 HB THR 50 10.525 -11.333 12.031
345 HG1 THR 50 1HG THR 50 10.118 -12.269 14.042
346 1HG2 THR 50 1HG2 THR 50 11.873 -10.678 13.978
347 2HG2 THR 50 2HG2 THR 50 11.640 -9.300 12.892
348 3HG2 THR 50 3HG2 THR 50 10.698 -9.409 14.395
349 H MET 51 H MET 51 9.648 -10.078 9.760
350 HA MET 51 HA MET 51 7.549 -11.998 8.974
351 1HB MET 51 2HB MET 51 6.489 -9.780 8.713
352 2HB MET 51 3HB MET 51 7.833 -9.244 7.695
353 1HG MET 51 2HG MET 51 7.257 -10.932 6.005
354 2HG MET 51 3HG MET 51 6.012 -11.600 7.072
355 1HE MET 51 1HE MET 51 6.846 -7.752 6.149
356 2HE MET 51 2HE MET 51 7.072 -8.713 4.668
357 3HE MET 51 3HE MET 51 5.721 -7.567 4.788
Start of MODEL 10
1 1H ASP 1 1H ASP 1 -1.146 0.836 -16.135
2 2H ASP 1 2H ASP 1 -1.181 2.426 -16.522
3 3H ASP 1 3H ASP 1 -0.642 1.955 -15.051
4 HA ASP 1 HA ASP 1 -2.830 2.891 -14.865
5 1HB ASP 1 2HB ASP 1 -3.551 2.330 -17.163
6 2HB ASP 1 3HB ASP 1 -3.704 0.629 -16.704
7 H GLN 2 H GLN 2 -3.181 -0.692 -15.159
8 HA GLN 2 HA GLN 2 -3.671 -0.990 -12.317
9 1HB GLN 2 2HB GLN 2 -3.786 -3.340 -12.767
10 2HB GLN 2 3HB GLN 2 -4.663 -2.471 -14.022
11 1HG GLN 2 2HG GLN 2 -2.711 -2.757 -15.560
12 2HG GLN 2 3HG GLN 2 -1.859 -3.665 -14.309
13 1HE2 GLN 2 2HE2 GLN 2 -2.897 -4.469 -17.087
14 2HE2 GLN 2 1HE2 GLN 2 -3.846 -5.915 -16.737
15 H GLU 3 H GLU 3 -2.392 -2.543 -10.956
16 HA GLU 3 HA GLU 3 0.528 -2.566 -11.454
17 1HB GLU 3 2HB GLU 3 0.122 -0.462 -10.274
18 2HB GLU 3 3HB GLU 3 -0.836 -1.298 -9.047
19 1HG GLU 3 2HG GLU 3 1.284 -0.675 -8.142
20 2HG GLU 3 3HG GLU 3 1.177 -2.416 -8.187
21 H SER 4 H SER 4 1.703 -3.978 -10.139
22 HA SER 4 HA SER 4 0.203 -6.136 -8.690
23 1HB SER 4 2HB SER 4 2.593 -6.431 -10.562
24 2HB SER 4 3HB SER 4 1.931 -7.722 -9.536
25 HG SER 4 HG SER 4 1.135 -7.761 -11.723
26 H CYS 5 H CYS 5 1.395 -7.132 -6.957
27 HA CYS 5 HA CYS 5 2.830 -5.021 -5.516
28 1HB CYS 5 2HB CYS 5 0.900 -6.489 -4.746
29 2HB CYS 5 3HB CYS 5 2.102 -7.759 -4.473
30 H LYS 6 H LYS 6 4.046 -7.531 -7.385
31 HA LYS 6 HA LYS 6 5.958 -8.697 -5.595
32 1HB LYS 6 2HB LYS 6 5.584 -8.782 -8.595
33 2HB LYS 6 3HB LYS 6 6.908 -9.648 -7.774
34 1HG LYS 6 2HG LYS 6 5.380 -10.857 -6.358
35 2HG LYS 6 3HG LYS 6 3.977 -9.954 -6.949
36 1HD LYS 6 2HD LYS 6 5.717 -11.700 -8.709
37 2HD LYS 6 3HD LYS 6 4.314 -12.300 -7.834
38 1HE LYS 6 2HE LYS 6 4.191 -10.006 -9.851
39 2HE LYS 6 3HE LYS 6 3.924 -11.699 -10.271
40 1HZ LYS 6 1HZ LYS 6 1.814 -10.654 -9.854
41 2HZ LYS 6 2HZ LYS 6 2.067 -11.725 -8.656
42 3HZ LYS 6 3HZ LYS 6 2.228 -10.137 -8.365
43 H GLY 7 H GLY 7 7.061 -7.261 -4.591
44 1HA GLY 7 2HA GLY 7 9.387 -6.338 -4.490
45 2HA GLY 7 3HA GLY 7 9.041 -5.491 -6.006
46 H ARG 8 H ARG 8 6.266 -5.359 -4.042
47 HA ARG 8 HA ARG 8 6.969 -2.620 -2.994
48 1HB ARG 8 2HB ARG 8 4.478 -3.488 -4.523
49 2HB ARG 8 3HB ARG 8 4.738 -1.916 -3.778
50 1HG ARG 8 2HG ARG 8 6.859 -1.731 -5.257
51 2HG ARG 8 3HG ARG 8 6.200 -3.120 -6.139
52 1HD ARG 8 2HD ARG 8 5.512 -1.169 -7.295
53 2HD ARG 8 3HD ARG 8 4.064 -1.793 -6.475
54 HE ARG 8 HE ARG 8 5.245 0.048 -4.692
55 1HH1 ARG 8 1HH1 ARG 8 3.918 0.367 -7.964
56 2HH1 ARG 8 2HH1 ARG 8 3.540 2.049 -7.691
57 1HH2 ARG 8 1HH2 ARG 8 4.459 2.019 -4.365
58 2HH2 ARG 8 2HH2 ARG 8 3.855 2.980 -5.704
59 H CYS 9 H CYS 9 4.940 -5.477 -2.342
60 HA CYS 9 HA CYS 9 3.168 -4.459 -0.595
61 1HB CYS 9 2HB CYS 9 4.551 -7.037 0.137
62 2HB CYS 9 3HB CYS 9 2.857 -6.584 0.321
63 H THR 10 H THR 10 3.062 -3.399 1.216
64 HA THR 10 HA THR 10 3.486 -2.381 3.144
65 HB THR 10 HB THR 10 5.557 -4.398 4.005
66 HG1 THR 10 1HG THR 10 3.890 -5.757 4.591
67 1HG2 THR 10 1HG2 THR 10 3.217 -3.055 5.451
68 2HG2 THR 10 2HG2 THR 10 4.414 -4.146 6.181
69 3HG2 THR 10 3HG2 THR 10 4.913 -2.558 5.598
70 H GLU 11 H GLU 11 5.072 -1.681 0.758
71 HA GLU 11 HA GLU 11 7.660 -0.764 1.447
72 1HB GLU 11 2HB GLU 11 7.368 0.853 -0.398
73 2HB GLU 11 3HB GLU 11 6.974 -0.800 -0.833
74 1HG GLU 11 2HG GLU 11 4.510 -0.226 -0.588
75 2HG GLU 11 3HG GLU 11 4.986 1.422 -0.162
76 H GLY 12 H GLY 12 4.648 0.512 2.567
77 1HA GLY 12 2HA GLY 12 4.648 1.965 4.507
78 2HA GLY 12 3HA GLY 12 6.022 2.859 3.845
79 H PHE 13 H PHE 13 3.533 3.951 4.758
80 HA PHE 13 HA PHE 13 1.771 4.517 2.530
81 1HB PHE 13 2HB PHE 13 0.903 4.367 4.764
82 2HB PHE 13 3HB PHE 13 1.993 5.637 5.341
83 HD1 PHE 13 1HD PHE 13 -0.808 4.985 2.895
84 HD2 PHE 13 2HD PHE 13 1.199 7.892 5.389
85 HE1 PHE 13 1HE PHE 13 -2.708 6.553 2.624
86 HE2 PHE 13 2HE PHE 13 -0.709 9.434 5.123
87 HZ PHE 13 HZ PHE 13 -2.673 8.755 3.786
88 H ASN 14 H ASN 14 1.455 6.189 1.385
89 HA ASN 14 HA ASN 14 2.453 8.850 1.825
90 1HB ASN 14 2HB ASN 14 4.422 7.972 0.622
91 2HB ASN 14 3HB ASN 14 3.385 7.303 -0.644
92 1HD2 ASN 14 2HD2 ASN 14 5.388 8.888 -1.489
93 2HD2 ASN 14 1HD2 ASN 14 4.735 10.449 -1.988
94 H VAL 15 H VAL 15 0.577 9.950 1.454
95 HA VAL 15 HA VAL 15 -1.640 8.488 0.342
96 HB VAL 15 HB VAL 15 -1.590 10.054 2.316
97 1HG1 VAL 15 1HG1 VAL 15 -0.598 12.002 1.332
98 2HG1 VAL 15 2HG1 VAL 15 -2.046 12.239 0.307
99 3HG1 VAL 15 3HG1 VAL 15 -2.166 12.324 2.085
100 1HG2 VAL 15 1HG2 VAL 15 -3.599 8.967 1.487
101 2HG2 VAL 15 2HG2 VAL 15 -3.928 10.581 2.132
102 3HG2 VAL 15 3HG2 VAL 15 -3.893 10.330 0.374
103 H ASP 16 H ASP 16 0.677 10.386 -1.240
104 HA ASP 16 HA ASP 16 -1.064 11.392 -3.372
105 1HB ASP 16 2HB ASP 16 0.920 12.606 -2.490
106 2HB ASP 16 3HB ASP 16 1.957 11.320 -3.128
107 H LYS 17 H LYS 17 1.052 8.543 -2.969
108 HA LYS 17 HA LYS 17 1.292 8.052 -5.823
109 1HB LYS 17 2HB LYS 17 2.513 6.049 -5.254
110 2HB LYS 17 3HB LYS 17 3.063 7.418 -4.277
111 1HG LYS 17 2HG LYS 17 1.632 6.571 -2.402
112 2HG LYS 17 3HG LYS 17 1.263 5.129 -3.363
113 1HD LYS 17 2HD LYS 17 3.668 4.517 -3.367
114 2HD LYS 17 3HD LYS 17 4.063 6.042 -2.551
115 1HE LYS 17 2HE LYS 17 4.043 4.552 -0.755
116 2HE LYS 17 3HE LYS 17 2.421 5.270 -0.689
117 1HZ LYS 17 1HZ LYS 17 2.151 2.944 -0.478
118 2HZ LYS 17 2HZ LYS 17 1.746 3.249 -2.063
119 3HZ LYS 17 3HZ LYS 17 3.206 2.622 -1.727
120 H LYS 18 H LYS 18 0.491 6.451 -7.092
121 HA LYS 18 HA LYS 18 -2.317 6.111 -6.858
122 1HB LYS 18 2HB LYS 18 -1.102 6.494 -8.959
123 2HB LYS 18 3HB LYS 18 -0.345 4.904 -8.832
124 1HG LYS 18 2HG LYS 18 -2.121 4.851 -10.466
125 2HG LYS 18 3HG LYS 18 -2.590 3.842 -9.091
126 1HD LYS 18 2HD LYS 18 -3.981 5.761 -8.228
127 2HD LYS 18 3HD LYS 18 -3.531 6.695 -9.668
128 1HE LYS 18 2HE LYS 18 -4.532 4.930 -11.113
129 2HE LYS 18 3HE LYS 18 -4.983 4.007 -9.672
130 1HZ LYS 18 1HZ LYS 18 -5.992 6.726 -10.333
131 2HZ LYS 18 2HZ LYS 18 -6.841 5.344 -10.493
132 3HZ LYS 18 3HZ LYS 18 -6.414 5.865 -9.008
133 H CYS 19 H CYS 19 0.241 3.778 -6.189
134 HA CYS 19 HA CYS 19 -1.851 1.791 -5.343
135 1HB CYS 19 2HB CYS 19 -0.328 0.797 -6.922
136 2HB CYS 19 3HB CYS 19 1.065 1.391 -6.007
137 H GLN 20 H GLN 20 -2.373 2.290 -3.299
138 HA GLN 20 HA GLN 20 -0.210 2.777 -1.325
139 1HB GLN 20 2HB GLN 20 -3.207 2.796 -1.087
140 2HB GLN 20 3HB GLN 20 -2.078 2.980 0.291
141 1HG GLN 20 2HG GLN 20 -0.945 4.823 -0.830
142 2HG GLN 20 3HG GLN 20 -1.989 4.673 -2.245
143 1HE2 GLN 20 2HE2 GLN 20 -2.324 6.836 -2.006
144 2HE2 GLN 20 1HE2 GLN 20 -3.573 7.455 -0.906
145 H CYS 21 H CYS 21 0.763 0.942 -2.103
146 HA CYS 21 HA CYS 21 -0.177 -1.744 -1.536
147 1HB CYS 21 2HB CYS 21 2.738 -1.164 -1.854
148 2HB CYS 21 3HB CYS 21 1.766 -2.416 -2.598
149 H ASP 22 H ASP 22 -0.471 -0.209 0.784
150 HA ASP 22 HA ASP 22 1.452 -1.295 2.754
151 1HB ASP 22 2HB ASP 22 1.885 1.026 3.592
152 2HB ASP 22 3HB ASP 22 2.501 0.729 1.966
153 H GLU 23 H GLU 23 0.908 -0.257 4.964
154 HA GLU 23 HA GLU 23 -1.367 -1.623 5.830
155 1HB GLU 23 2HB GLU 23 0.226 0.476 7.347
156 2HB GLU 23 3HB GLU 23 -0.750 -0.823 8.039
157 1HG GLU 23 2HG GLU 23 0.786 -2.493 6.931
158 2HG GLU 23 3HG GLU 23 1.819 -1.150 6.419
159 H LEU 24 H LEU 24 -1.354 1.748 4.855
160 HA LEU 24 HA LEU 24 -3.815 2.305 6.487
161 1HB LEU 24 2HB LEU 24 -1.792 4.176 5.221
162 2HB LEU 24 3HB LEU 24 -3.227 4.687 6.103
163 HG LEU 24 HG LEU 24 -0.855 3.177 7.264
164 1HD1 LEU 24 1HD1 LEU 24 -0.497 5.254 8.533
165 2HD1 LEU 24 2HD1 LEU 24 -0.446 5.563 6.793
166 3HD1 LEU 24 3HD1 LEU 24 -1.890 6.007 7.722
167 1HD2 LEU 24 1HD2 LEU 24 -3.407 4.160 8.621
168 2HD2 LEU 24 2HD2 LEU 24 -2.864 2.470 8.475
169 3HD2 LEU 24 3HD2 LEU 24 -1.949 3.600 9.474
170 H CYS 25 H CYS 25 -3.221 1.280 3.414
171 HA CYS 25 HA CYS 25 -4.475 3.176 1.794
172 1HB CYS 25 2HB CYS 25 -4.396 1.560 0.132
173 2HB CYS 25 3HB CYS 25 -3.065 1.165 1.234
174 H SER 26 H SER 26 -6.111 0.632 3.671
175 HA SER 26 HA SER 26 -8.602 0.649 2.305
176 1HB SER 26 2HB SER 26 -7.818 -1.093 3.906
177 2HB SER 26 3HB SER 26 -8.054 0.048 5.239
178 HG SER 26 HG SER 26 -10.019 -1.081 3.505
179 H TYR 27 H TYR 27 -7.424 2.693 4.928
180 HA TYR 27 HA TYR 27 -9.822 4.143 5.529
181 1HB TYR 27 2HB TYR 27 -8.093 4.028 7.110
182 2HB TYR 27 3HB TYR 27 -6.864 4.467 5.952
183 HD1 TYR 27 1HD TYR 27 -5.770 6.348 6.541
184 HD2 TYR 27 2HD TYR 27 -10.035 6.173 7.162
185 HE1 TYR 27 1HE TYR 27 -5.734 8.692 7.350
186 HE2 TYR 27 2HE TYR 27 -10.002 8.517 8.004
187 HH TYR 27 HH TYR 27 -8.727 10.367 8.447
188 H TYR 28 H TYR 28 -7.747 4.326 2.747
189 HA TYR 28 HA TYR 28 -9.109 6.847 1.852
190 1HB TYR 28 2HB TYR 28 -6.385 5.704 1.148
191 2HB TYR 28 3HB TYR 28 -7.129 7.085 0.338
192 HD1 TYR 28 1HD TYR 28 -5.276 5.997 3.288
193 HD2 TYR 28 2HD TYR 28 -7.660 9.182 1.605
194 HE1 TYR 28 1HE TYR 28 -4.390 7.574 4.992
195 HE2 TYR 28 2HE TYR 28 -6.762 10.758 3.308
196 HH TYR 28 HH TYR 28 -5.345 11.033 5.085
197 H GLN 29 H GLN 29 -8.988 3.505 1.271
198 HA GLN 29 HA GLN 29 -9.576 2.104 -0.357
199 1HB GLN 29 2HB GLN 29 -11.392 4.278 -1.453
200 2HB GLN 29 3HB GLN 29 -11.493 2.542 -1.713
201 1HG GLN 29 2HG GLN 29 -13.132 2.859 -0.129
202 2HG GLN 29 3HG GLN 29 -11.770 2.329 0.863
203 1HE2 GLN 29 2HE2 GLN 29 -11.384 3.636 2.680
204 2HE2 GLN 29 1HE2 GLN 29 -11.964 5.301 2.824
205 H SER 30 H SER 30 -7.198 3.553 -0.765
206 HA SER 30 HA SER 30 -6.974 3.809 -3.749
207 1HB SER 30 2HB SER 30 -5.484 5.209 -1.513
208 2HB SER 30 3HB SER 30 -5.061 5.342 -3.237
209 HG SER 30 HG SER 30 -6.428 7.046 -2.585
210 H CYS 31 H CYS 31 -6.583 1.369 -1.966
211 HA CYS 31 HA CYS 31 -3.862 0.533 -1.942
212 1HB CYS 31 2HB CYS 31 -6.303 -1.207 -2.381
213 2HB CYS 31 3HB CYS 31 -4.791 -1.627 -1.573
214 H CYS 32 H CYS 32 -2.735 -0.991 -3.386
215 HA CYS 32 HA CYS 32 -2.714 -0.985 -6.049
216 1HB CYS 32 2HB CYS 32 -2.760 -3.807 -5.347
217 2HB CYS 32 3HB CYS 32 -1.415 -2.811 -5.857
218 H THR 33 H THR 33 -3.699 -1.958 -7.886
219 HA THR 33 HA THR 33 -6.520 -2.149 -7.858
220 HB THR 33 HB THR 33 -6.164 -3.056 -10.247
221 HG1 THR 33 1HG THR 33 -4.038 -3.832 -9.933
222 1HG2 THR 33 1HG2 THR 33 -6.554 -0.657 -9.656
223 2HG2 THR 33 2HG2 THR 33 -4.796 -0.436 -9.505
224 3HG2 THR 33 3HG2 THR 33 -5.520 -0.876 -11.070
225 H ASP 34 H ASP 34 -4.371 -4.659 -6.993
226 HA ASP 34 HA ASP 34 -6.719 -6.453 -6.750
227 1HB ASP 34 2HB ASP 34 -5.303 -7.048 -8.783
228 2HB ASP 34 3HB ASP 34 -3.996 -7.453 -7.661
229 H TYR 35 H TYR 35 -5.319 -4.670 -4.874
230 HA TYR 35 HA TYR 35 -3.465 -5.578 -3.155
231 1HB TYR 35 2HB TYR 35 -4.448 -3.426 -2.875
232 2HB TYR 35 3HB TYR 35 -6.042 -4.117 -2.567
233 HD1 TYR 35 1HD TYR 35 -6.635 -5.069 -0.381
234 HD2 TYR 35 2HD TYR 35 -2.783 -3.231 -1.064
235 HE1 TYR 35 1HE TYR 35 -6.286 -4.853 2.073
236 HE2 TYR 35 2HE TYR 35 -2.442 -3.037 1.378
237 HH TYR 35 HH TYR 35 -3.381 -3.277 3.445
238 H THR 36 H THR 36 -6.895 -6.596 -2.735
239 HA THR 36 HA THR 36 -6.436 -8.022 -0.368
240 HB THR 36 HB THR 36 -8.670 -8.919 -2.155
241 HG1 THR 36 1HG THR 36 -9.780 -7.012 -1.765
242 1HG2 THR 36 1HG2 THR 36 -9.961 -8.561 -0.043
243 2HG2 THR 36 2HG2 THR 36 -8.588 -9.644 0.215
244 3HG2 THR 36 3HG2 THR 36 -8.483 -7.952 0.743
245 H ALA 37 H ALA 37 -5.460 -9.031 -3.473
246 HA ALA 37 HA ALA 37 -4.900 -11.766 -2.385
247 1HB ALA 37 1HB ALA 37 -6.540 -11.885 -4.208
248 2HB ALA 37 2HB ALA 37 -5.434 -10.988 -5.276
249 3HB ALA 37 3HB ALA 37 -4.991 -12.606 -4.688
250 H GLU 38 H GLU 38 -3.619 -9.007 -4.290
251 HA GLU 38 HA GLU 38 -0.988 -10.287 -4.574
252 1HB GLU 38 2HB GLU 38 -2.328 -7.773 -5.547
253 2HB GLU 38 3HB GLU 38 -0.573 -7.791 -5.488
254 1HG GLU 38 2HG GLU 38 -2.139 -9.961 -6.898
255 2HG GLU 38 3HG GLU 38 -1.605 -8.472 -7.685
256 H CYS 39 H CYS 39 -2.298 -7.688 -2.442
257 HA CYS 39 HA CYS 39 0.486 -7.268 -1.426
258 1HB CYS 39 2HB CYS 39 -1.587 -5.156 -1.206
259 2HB CYS 39 3HB CYS 39 0.144 -4.993 -1.322
260 H LYS 40 H LYS 40 -2.615 -8.227 -0.489
261 HA LYS 40 HA LYS 40 -3.310 -7.273 1.867
262 1HB LYS 40 2HB LYS 40 -4.448 -9.009 0.632
263 2HB LYS 40 3HB LYS 40 -3.279 -10.215 1.185
264 1HG LYS 40 2HG LYS 40 -4.033 -9.980 3.493
265 2HG LYS 40 3HG LYS 40 -4.980 -8.533 3.083
266 1HD LYS 40 2HD LYS 40 -6.479 -10.433 3.337
267 2HD LYS 40 3HD LYS 40 -6.468 -9.870 1.665
268 1HE LYS 40 2HE LYS 40 -4.659 -11.738 1.287
269 2HE LYS 40 3HE LYS 40 -5.198 -12.373 2.845
270 1HZ LYS 40 1HZ LYS 40 -7.471 -12.468 1.861
271 2HZ LYS 40 2HZ LYS 40 -6.864 -11.935 0.425
272 3HZ LYS 40 3HZ LYS 40 -6.417 -13.392 1.020
273 HA PRO 41 HA PRO 41 0.333 -7.779 4.595
274 1HB PRO 41 2HB PRO 41 -1.722 -6.514 6.416
275 2HB PRO 41 3HB PRO 41 0.025 -6.144 6.263
276 1HG PRO 41 2HG PRO 41 -1.827 -4.536 5.105
277 2HG PRO 41 3HG PRO 41 -0.331 -4.973 4.212
278 1HD PRO 41 2HD PRO 41 -3.102 -6.162 3.908
279 2HD PRO 41 3HD PRO 41 -1.926 -5.710 2.657
280 H GLN 42 H GLN 42 0.811 -9.191 6.332
281 HA GLN 42 HA GLN 42 -1.003 -11.386 6.891
282 1HB GLN 42 2HB GLN 42 1.587 -10.494 8.229
283 2HB GLN 42 3HB GLN 42 0.692 -11.971 8.633
284 1HG GLN 42 2HG GLN 42 0.967 -12.778 6.294
285 2HG GLN 42 3HG GLN 42 1.977 -11.371 5.937
286 1HE2 GLN 42 2HE2 GLN 42 2.370 -14.553 6.463
287 2HE2 GLN 42 1HE2 GLN 42 3.828 -14.549 7.465
288 H VAL 43 H VAL 43 -2.271 -11.777 8.634
289 HA VAL 43 HA VAL 43 -2.400 -9.877 10.914
290 HB VAL 43 HB VAL 43 -4.902 -9.881 10.786
291 1HG1 VAL 43 1HG1 VAL 43 -5.127 -8.188 9.099
292 2HG1 VAL 43 2HG1 VAL 43 -3.580 -7.975 9.933
293 3HG1 VAL 43 3HG1 VAL 43 -3.624 -8.690 8.306
294 1HG2 VAL 43 1HG2 VAL 43 -6.052 -10.472 8.726
295 2HG2 VAL 43 2HG2 VAL 43 -4.537 -10.984 7.962
296 3HG2 VAL 43 3HG2 VAL 43 -5.203 -11.901 9.333
297 H THR 44 H THR 44 -1.245 -12.422 10.727
298 HA THR 44 HA THR 44 -2.655 -13.863 12.878
299 HB THR 44 HB THR 44 -3.670 -14.610 10.732
300 HG1 THR 44 1HG THR 44 -3.623 -16.768 11.261
301 1HG2 THR 44 1HG2 THR 44 -1.639 -14.593 9.285
302 2HG2 THR 44 2HG2 THR 44 -1.033 -16.019 10.157
303 3HG2 THR 44 3HG2 THR 44 -2.541 -16.113 9.230
304 H ARG 45 H ARG 45 -0.250 -12.462 12.880
305 HA ARG 45 HA ARG 45 1.753 -14.610 13.519
306 1HB ARG 45 2HB ARG 45 2.459 -11.852 12.448
307 2HB ARG 45 3HB ARG 45 3.568 -13.155 12.830
308 1HG ARG 45 2HG ARG 45 1.671 -12.941 10.491
309 2HG ARG 45 3HG ARG 45 3.438 -13.029 10.494
310 1HD ARG 45 2HD ARG 45 1.450 -15.264 10.961
311 2HD ARG 45 3HD ARG 45 2.619 -15.100 9.674
312 HE ARG 45 HE ARG 45 4.430 -15.412 11.363
313 1HH1 ARG 45 1HH2 ARG 45 1.267 -16.651 12.363
314 2HH1 ARG 45 2HH2 ARG 45 2.014 -17.981 13.208
315 1HH2 ARG 45 1HH1 ARG 45 5.231 -17.014 12.440
316 2HH2 ARG 45 2HH1 ARG 45 4.229 -18.160 13.319
317 H GLY 46 H GLY 46 3.285 -14.125 15.130
318 1HA GLY 46 2HA GLY 46 2.127 -12.665 17.414
319 2HA GLY 46 3HA GLY 46 3.531 -13.731 17.417
320 H ASP 47 H ASP 47 4.702 -12.100 15.063
321 HA ASP 47 HA ASP 47 5.369 -9.507 16.287
322 1HB ASP 47 2HB ASP 47 6.816 -11.302 17.392
323 2HB ASP 47 3HB ASP 47 7.477 -11.653 15.793
324 H VAL 48 H VAL 48 6.823 -8.243 14.891
325 HA VAL 48 HA VAL 48 6.293 -8.563 12.022
326 HB VAL 48 HB VAL 48 7.482 -6.392 11.790
327 1HG1 VAL 48 1HG1 VAL 48 5.315 -6.380 13.923
328 2HG1 VAL 48 2HG1 VAL 48 5.785 -5.035 12.864
329 3HG1 VAL 48 3HG1 VAL 48 5.055 -6.489 12.168
330 1HG2 VAL 48 1HG2 VAL 48 9.045 -6.589 13.747
331 2HG2 VAL 48 2HG2 VAL 48 8.121 -5.081 13.732
332 3HG2 VAL 48 3HG2 VAL 48 7.659 -6.384 14.840
333 H PHE 49 H PHE 49 7.772 -10.646 13.056
334 HA PHE 49 HA PHE 49 10.168 -10.657 11.340
335 1HB PHE 49 2HB PHE 49 10.941 -9.703 13.526
336 2HB PHE 49 3HB PHE 49 10.410 -11.185 14.329
337 HD1 PHE 49 1HD PHE 49 12.724 -9.858 11.690
338 HD2 PHE 49 2HD PHE 49 11.878 -13.080 14.432
339 HE1 PHE 49 1HE PHE 49 14.935 -10.873 11.183
340 HE2 PHE 49 2HE PHE 49 14.089 -14.090 13.923
341 HZ PHE 49 HZ PHE 49 15.620 -12.991 12.298
342 H THR 50 H THR 50 7.883 -12.436 13.427
343 HA THR 50 HA THR 50 8.867 -15.070 12.659
344 HB THR 50 HB THR 50 6.878 -15.865 13.946
345 HG1 THR 50 1HG THR 50 5.797 -14.283 15.171
346 1HG2 THR 50 1HG2 THR 50 8.561 -13.798 15.422
347 2HG2 THR 50 2HG2 THR 50 7.673 -15.162 16.134
348 3HG2 THR 50 3HG2 THR 50 9.049 -15.468 15.064
349 H MET 51 H MET 51 8.086 -13.346 10.476
350 HA MET 51 HA MET 51 5.682 -13.510 9.214
351 1HB MET 51 2HB MET 51 7.629 -12.252 8.445
352 2HB MET 51 3HB MET 51 8.455 -13.751 8.002
353 1HG MET 51 2HG MET 51 6.719 -14.204 6.293
354 2HG MET 51 3HG MET 51 5.866 -12.732 6.779
355 1HE MET 51 1HE MET 51 9.856 -12.917 4.429
356 2HE MET 51 2HE MET 51 9.790 -13.423 6.128
357 3HE MET 51 3HE MET 51 8.866 -14.316 4.897
Start of MODEL 11
1 1H ASP 1 1H ASP 1 2.459 -2.356 -21.047
2 2H ASP 1 2H ASP 1 1.429 -1.081 -21.073
3 3H ASP 1 3H ASP 1 2.966 -0.900 -21.611
4 HA ASP 1 HA ASP 1 3.861 -1.217 -19.433
5 1HB ASP 1 2HB ASP 1 3.102 0.804 -18.355
6 2HB ASP 1 3HB ASP 1 3.211 1.080 -20.097
7 H GLN 2 H GLN 2 3.349 -1.204 -17.044
8 HA GLN 2 HA GLN 2 0.890 -2.689 -16.289
9 1HB GLN 2 2HB GLN 2 3.738 -3.650 -15.760
10 2HB GLN 2 3HB GLN 2 2.299 -4.282 -14.955
11 1HG GLN 2 2HG GLN 2 1.368 -4.941 -17.192
12 2HG GLN 2 3HG GLN 2 2.899 -4.466 -17.936
13 1HE2 GLN 2 2HE2 GLN 2 1.239 -7.125 -16.674
14 2HE2 GLN 2 1HE2 GLN 2 2.648 -8.140 -16.363
15 H GLU 3 H GLU 3 0.504 -2.734 -14.013
16 HA GLU 3 HA GLU 3 1.886 -0.781 -12.268
17 1HB GLU 3 2HB GLU 3 0.273 0.490 -13.732
18 2HB GLU 3 3HB GLU 3 -1.040 -0.492 -13.087
19 1HG GLU 3 2HG GLU 3 -1.072 1.587 -11.928
20 2HG GLU 3 3HG GLU 3 -0.477 0.395 -10.780
21 H SER 4 H SER 4 2.375 -2.718 -11.064
22 HA SER 4 HA SER 4 0.127 -3.762 -9.407
23 1HB SER 4 2HB SER 4 0.681 -6.023 -9.789
24 2HB SER 4 3HB SER 4 0.492 -5.266 -11.375
25 HG SER 4 HG SER 4 2.720 -5.213 -11.604
26 H CYS 5 H CYS 5 1.106 -5.360 -7.623
27 HA CYS 5 HA CYS 5 2.537 -3.488 -5.991
28 1HB CYS 5 2HB CYS 5 0.686 -5.086 -5.401
29 2HB CYS 5 3HB CYS 5 1.884 -6.385 -5.383
30 H LYS 6 H LYS 6 3.941 -5.757 -8.102
31 HA LYS 6 HA LYS 6 5.885 -6.953 -6.371
32 1HB LYS 6 2HB LYS 6 5.598 -6.751 -9.371
33 2HB LYS 6 3HB LYS 6 6.951 -7.619 -8.607
34 1HG LYS 6 2HG LYS 6 5.520 -9.116 -7.438
35 2HG LYS 6 3HG LYS 6 4.062 -8.186 -7.808
36 1HD LYS 6 2HD LYS 6 5.757 -9.578 -9.899
37 2HD LYS 6 3HD LYS 6 4.371 -10.320 -9.102
38 1HE LYS 6 2HE LYS 6 4.213 -7.711 -10.683
39 2HE LYS 6 3HE LYS 6 3.909 -9.299 -11.387
40 1HZ LYS 6 1HZ LYS 6 2.328 -8.156 -9.123
41 2HZ LYS 6 2HZ LYS 6 1.870 -8.193 -10.678
42 3HZ LYS 6 3HZ LYS 6 2.065 -9.590 -9.837
43 H GLY 7 H GLY 7 7.009 -5.712 -5.219
44 1HA GLY 7 2HA GLY 7 9.290 -4.718 -5.029
45 2HA GLY 7 3HA GLY 7 8.854 -3.632 -6.358
46 H ARG 8 H ARG 8 6.101 -3.872 -4.467
47 HA ARG 8 HA ARG 8 6.772 -1.422 -2.844
48 1HB ARG 8 2HB ARG 8 4.364 -1.926 -4.648
49 2HB ARG 8 3HB ARG 8 4.586 -0.524 -3.598
50 1HG ARG 8 2HG ARG 8 6.723 0.000 -4.803
51 2HG ARG 8 3HG ARG 8 6.337 -1.279 -5.965
52 1HD ARG 8 2HD ARG 8 4.521 1.095 -5.380
53 2HD ARG 8 3HD ARG 8 5.763 1.039 -6.649
54 HE ARG 8 HE ARG 8 4.045 -1.223 -6.942
55 1HH1 ARG 8 1HH1 ARG 8 3.994 2.263 -7.628
56 2HH1 ARG 8 2HH1 ARG 8 2.868 1.971 -8.964
57 1HH2 ARG 8 1HH2 ARG 8 2.686 -1.331 -8.695
58 2HH2 ARG 8 2HH2 ARG 8 2.172 0.188 -9.458
59 H CYS 9 H CYS 9 4.767 -4.335 -2.884
60 HA CYS 9 HA CYS 9 3.003 -3.896 -0.896
61 1HB CYS 9 2HB CYS 9 4.628 -6.435 -0.827
62 2HB CYS 9 3HB CYS 9 2.898 -6.190 -0.535
63 H THR 10 H THR 10 2.884 -3.351 1.131
64 HA THR 10 HA THR 10 3.298 -2.713 3.209
65 HB THR 10 HB THR 10 5.540 -4.702 3.619
66 HG1 THR 10 1HG THR 10 4.043 -5.896 2.524
67 1HG2 THR 10 1HG2 THR 10 4.844 -3.423 5.606
68 2HG2 THR 10 2HG2 THR 10 3.145 -3.826 5.306
69 3HG2 THR 10 3HG2 THR 10 4.305 -5.095 5.762
70 H GLU 11 H GLU 11 4.990 -1.498 0.972
71 HA GLU 11 HA GLU 11 7.527 -0.771 2.034
72 1HB GLU 11 2HB GLU 11 7.534 1.010 0.415
73 2HB GLU 11 3HB GLU 11 6.956 -0.478 -0.313
74 1HG GLU 11 2HG GLU 11 4.563 0.419 -0.033
75 2HG GLU 11 3HG GLU 11 5.290 1.923 0.563
76 H GLY 12 H GLY 12 4.405 0.453 2.898
77 1HA GLY 12 2HA GLY 12 4.227 1.782 5.013
78 2HA GLY 12 3HA GLY 12 5.554 2.786 4.410
79 H PHE 13 H PHE 13 3.096 3.904 5.134
80 HA PHE 13 HA PHE 13 1.299 4.155 2.900
81 1HB PHE 13 2HB PHE 13 0.368 4.394 5.007
82 2HB PHE 13 3HB PHE 13 1.594 5.560 5.539
83 HD1 PHE 13 1HD PHE 13 -0.981 5.213 2.747
84 HD2 PHE 13 2HD PHE 13 0.904 7.756 5.705
85 HE1 PHE 13 1HE PHE 13 -2.547 7.043 2.200
86 HE2 PHE 13 2HE PHE 13 -0.615 9.613 5.071
87 HZ PHE 13 HZ PHE 13 -2.334 9.258 3.320
88 H ASN 14 H ASN 14 1.368 5.273 1.182
89 HA ASN 14 HA ASN 14 2.617 7.945 0.986
90 1HB ASN 14 2HB ASN 14 3.610 5.438 -0.399
91 2HB ASN 14 3HB ASN 14 3.622 6.970 -1.283
92 1HD2 ASN 14 2HD2 ASN 14 4.641 8.856 -0.243
93 2HD2 ASN 14 1HD2 ASN 14 6.115 8.536 0.697
94 H VAL 15 H VAL 15 0.326 8.497 0.937
95 HA VAL 15 HA VAL 15 -1.418 7.627 -1.144
96 HB VAL 15 HB VAL 15 -1.814 8.937 1.087
97 1HG1 VAL 15 1HG1 VAL 15 -2.147 11.238 -0.821
98 2HG1 VAL 15 2HG1 VAL 15 -2.550 11.166 0.909
99 3HG1 VAL 15 3HG1 VAL 15 -0.855 11.083 0.400
100 1HG2 VAL 15 1HG2 VAL 15 -3.497 7.762 -0.155
101 2HG2 VAL 15 2HG2 VAL 15 -4.107 9.318 0.413
102 3HG2 VAL 15 3HG2 VAL 15 -3.646 9.125 -1.298
103 H ASP 16 H ASP 16 1.270 9.666 -1.357
104 HA ASP 16 HA ASP 16 0.536 11.214 -3.696
105 1HB ASP 16 2HB ASP 16 2.850 11.942 -3.592
106 2HB ASP 16 3HB ASP 16 2.117 12.002 -1.987
107 H LYS 17 H LYS 17 1.273 7.908 -3.408
108 HA LYS 17 HA LYS 17 2.479 7.787 -6.157
109 1HB LYS 17 2HB LYS 17 2.714 5.791 -3.871
110 2HB LYS 17 3HB LYS 17 3.374 5.585 -5.505
111 1HG LYS 17 2HG LYS 17 4.557 7.877 -5.098
112 2HG LYS 17 3HG LYS 17 4.223 7.573 -3.386
113 1HD LYS 17 2HD LYS 17 5.858 5.868 -5.309
114 2HD LYS 17 3HD LYS 17 6.470 6.854 -3.969
115 1HE LYS 17 2HE LYS 17 5.296 5.369 -2.348
116 2HE LYS 17 3HE LYS 17 4.698 4.381 -3.695
117 1HZ LYS 17 1HZ LYS 17 7.054 3.956 -4.285
118 2HZ LYS 17 2HZ LYS 17 7.547 4.757 -2.946
119 3HZ LYS 17 3HZ LYS 17 6.679 3.374 -2.812
120 H LYS 18 H LYS 18 2.080 5.658 -7.269
121 HA LYS 18 HA LYS 18 -0.725 5.772 -7.993
122 1HB LYS 18 2HB LYS 18 1.755 4.517 -9.135
123 2HB LYS 18 3HB LYS 18 0.177 3.958 -9.706
124 1HG LYS 18 2HG LYS 18 0.989 5.682 -11.170
125 2HG LYS 18 3HG LYS 18 -0.449 6.261 -10.311
126 1HD LYS 18 2HD LYS 18 1.030 7.501 -8.723
127 2HD LYS 18 3HD LYS 18 2.449 6.980 -9.643
128 1HE LYS 18 2HE LYS 18 0.133 8.634 -10.758
129 2HE LYS 18 3HE LYS 18 1.644 9.313 -10.149
130 1HZ LYS 18 1HZ LYS 18 1.430 7.472 -12.472
131 2HZ LYS 18 2HZ LYS 18 1.724 9.074 -12.548
132 3HZ LYS 18 3HZ LYS 18 2.833 8.080 -11.885
133 H CYS 19 H CYS 19 0.783 3.794 -5.756
134 HA CYS 19 HA CYS 19 -1.765 2.363 -5.414
135 1HB CYS 19 2HB CYS 19 -0.895 0.253 -5.034
136 2HB CYS 19 3HB CYS 19 -0.162 0.729 -6.567
137 H GLN 20 H GLN 20 -2.228 1.974 -3.311
138 HA GLN 20 HA GLN 20 -0.331 2.963 -1.207
139 1HB GLN 20 2HB GLN 20 -3.365 2.867 -1.290
140 2HB GLN 20 3HB GLN 20 -2.439 3.016 0.208
141 1HG GLN 20 2HG GLN 20 -3.123 5.218 -0.519
142 2HG GLN 20 3HG GLN 20 -1.362 5.062 -0.520
143 1HE2 GLN 20 2HE2 GLN 20 -0.365 5.988 -2.391
144 2HE2 GLN 20 1HE2 GLN 20 -1.225 6.166 -3.898
145 H CYS 21 H CYS 21 0.661 0.959 -2.005
146 HA CYS 21 HA CYS 21 -0.408 -1.672 -1.450
147 1HB CYS 21 2HB CYS 21 2.364 -0.504 -2.050
148 2HB CYS 21 3HB CYS 21 2.046 -2.219 -1.906
149 H ASP 22 H ASP 22 -0.827 -0.251 0.906
150 HA ASP 22 HA ASP 22 1.115 -1.339 2.886
151 1HB ASP 22 2HB ASP 22 1.449 0.867 3.836
152 2HB ASP 22 3HB ASP 22 1.853 0.909 2.119
153 H GLU 23 H GLU 23 0.483 -0.517 5.130
154 HA GLU 23 HA GLU 23 -1.740 -1.971 5.994
155 1HB GLU 23 2HB GLU 23 -0.241 0.214 7.487
156 2HB GLU 23 3HB GLU 23 -1.129 -1.136 8.196
157 1HG GLU 23 2HG GLU 23 0.511 -2.725 7.207
158 2HG GLU 23 3HG GLU 23 1.412 -1.377 6.512
159 H LEU 24 H LEU 24 -1.823 1.372 4.938
160 HA LEU 24 HA LEU 24 -4.275 1.948 6.586
161 1HB LEU 24 2HB LEU 24 -2.210 3.830 5.406
162 2HB LEU 24 3HB LEU 24 -3.625 4.302 6.340
163 HG LEU 24 HG LEU 24 -1.265 2.682 7.392
164 1HD1 LEU 24 1HD1 LEU 24 -0.803 4.681 8.725
165 2HD1 LEU 24 2HD1 LEU 24 -0.805 5.086 7.003
166 3HD1 LEU 24 3HD1 LEU 24 -2.202 5.515 8.010
167 1HD2 LEU 24 1HD2 LEU 24 -2.316 3.025 9.627
168 2HD2 LEU 24 2HD2 LEU 24 -3.759 3.696 8.833
169 3HD2 LEU 24 3HD2 LEU 24 -3.301 1.996 8.587
170 H CYS 25 H CYS 25 -3.490 1.187 3.370
171 HA CYS 25 HA CYS 25 -4.989 3.121 1.976
172 1HB CYS 25 2HB CYS 25 -4.893 1.735 0.150
173 2HB CYS 25 3HB CYS 25 -3.468 1.291 1.111
174 H SER 26 H SER 26 -6.255 0.299 3.697
175 HA SER 26 HA SER 26 -8.870 0.223 2.616
176 1HB SER 26 2HB SER 26 -7.877 -0.592 5.365
177 2HB SER 26 3HB SER 26 -9.408 -1.111 4.626
178 HG SER 26 HG SER 26 -7.712 -2.648 4.339
179 H TYR 27 H TYR 27 -7.570 2.661 4.599
180 HA TYR 27 HA TYR 27 -10.243 3.634 5.502
181 1HB TYR 27 2HB TYR 27 -8.883 3.872 7.294
182 2HB TYR 27 3HB TYR 27 -7.420 3.986 6.351
183 HD1 TYR 27 1HD TYR 27 -10.500 6.033 7.126
184 HD2 TYR 27 2HD TYR 27 -6.280 5.977 6.222
185 HE1 TYR 27 1HE TYR 27 -10.381 8.494 7.502
186 HE2 TYR 27 2HE TYR 27 -6.160 8.424 6.603
187 HH TYR 27 HH TYR 27 -9.047 10.357 7.529
188 H TYR 28 H TYR 28 -7.467 4.609 3.418
189 HA TYR 28 HA TYR 28 -8.771 6.993 2.410
190 1HB TYR 28 2HB TYR 28 -6.326 5.382 1.596
191 2HB TYR 28 3HB TYR 28 -6.889 6.766 0.658
192 HD1 TYR 28 1HD TYR 28 -5.097 5.772 3.677
193 HD2 TYR 28 2HD TYR 28 -7.073 9.030 1.646
194 HE1 TYR 28 1HE TYR 28 -3.981 7.397 5.190
195 HE2 TYR 28 2HE TYR 28 -5.947 10.656 3.161
196 HH TYR 28 HH TYR 28 -3.724 9.606 5.769
197 H GLN 29 H GLN 29 -8.935 3.658 1.417
198 HA GLN 29 HA GLN 29 -9.976 2.514 -0.174
199 1HB GLN 29 2HB GLN 29 -11.452 4.926 -1.228
200 2HB GLN 29 3HB GLN 29 -11.894 3.227 -1.295
201 1HG GLN 29 2HG GLN 29 -11.990 5.079 1.104
202 2HG GLN 29 3HG GLN 29 -13.339 4.292 0.285
203 1HE2 GLN 29 2HE2 GLN 29 -11.755 4.188 3.122
204 2HE2 GLN 29 1HE2 GLN 29 -11.754 2.447 3.428
205 H SER 30 H SER 30 -7.685 4.732 -0.867
206 HA SER 30 HA SER 30 -7.703 4.809 -3.748
207 1HB SER 30 2HB SER 30 -5.359 5.359 -1.881
208 2HB SER 30 3HB SER 30 -5.647 6.031 -3.501
209 HG SER 30 HG SER 30 -7.532 7.057 -2.610
210 H CYS 31 H CYS 31 -7.048 2.197 -1.902
211 HA CYS 31 HA CYS 31 -4.520 1.287 -2.307
212 1HB CYS 31 2HB CYS 31 -6.727 0.395 -1.013
213 2HB CYS 31 3HB CYS 31 -6.682 -0.754 -2.367
214 H CYS 32 H CYS 32 -3.652 -0.638 -3.349
215 HA CYS 32 HA CYS 32 -3.708 -0.667 -6.199
216 1HB CYS 32 2HB CYS 32 -2.782 -3.101 -5.750
217 2HB CYS 32 3HB CYS 32 -1.801 -1.671 -5.481
218 H THR 33 H THR 33 -4.764 -1.908 -7.698
219 HA THR 33 HA THR 33 -7.505 -2.311 -7.217
220 HB THR 33 HB THR 33 -7.535 -3.233 -9.559
221 HG1 THR 33 1HG THR 33 -5.577 -3.199 -10.673
222 1HG2 THR 33 1HG2 THR 33 -7.654 -0.786 -9.117
223 2HG2 THR 33 2HG2 THR 33 -5.882 -0.686 -9.222
224 3HG2 THR 33 3HG2 THR 33 -6.838 -1.163 -10.642
225 H ASP 34 H ASP 34 -5.052 -4.607 -6.641
226 HA ASP 34 HA ASP 34 -7.102 -6.703 -6.144
227 1HB ASP 34 2HB ASP 34 -5.908 -7.032 -8.357
228 2HB ASP 34 3HB ASP 34 -4.404 -7.229 -7.448
229 H TYR 35 H TYR 35 -5.748 -4.772 -4.393
230 HA TYR 35 HA TYR 35 -3.566 -5.361 -2.989
231 1HB TYR 35 2HB TYR 35 -4.871 -3.447 -2.429
232 2HB TYR 35 3HB TYR 35 -6.276 -4.427 -2.033
233 HD1 TYR 35 1HD TYR 35 -2.930 -3.301 -0.771
234 HD2 TYR 35 2HD TYR 35 -6.647 -5.317 0.148
235 HE1 TYR 35 1HE TYR 35 -2.507 -2.985 1.631
236 HE2 TYR 35 2HE TYR 35 -6.200 -4.999 2.575
237 HH TYR 35 HH TYR 35 -3.388 -3.125 3.740
238 H THR 36 H THR 36 -6.657 -7.007 -2.091
239 HA THR 36 HA THR 36 -5.531 -8.385 0.084
240 HB THR 36 HB THR 36 -7.889 -9.547 -1.387
241 HG1 THR 36 1HG THR 36 -9.177 -7.921 -0.528
242 1HG2 THR 36 1HG2 THR 36 -7.272 -10.534 0.793
243 2HG2 THR 36 2HG2 THR 36 -7.263 -8.927 1.546
244 3HG2 THR 36 3HG2 THR 36 -8.786 -9.640 0.960
245 H ALA 37 H ALA 37 -4.956 -9.110 -3.208
246 HA ALA 37 HA ALA 37 -3.767 -11.732 -2.377
247 1HB ALA 37 1HB ALA 37 -5.653 -12.114 -3.890
248 2HB ALA 37 2HB ALA 37 -4.945 -10.999 -5.082
249 3HB ALA 37 3HB ALA 37 -4.116 -12.518 -4.680
250 H GLU 38 H GLU 38 -3.338 -8.820 -4.457
251 HA GLU 38 HA GLU 38 -0.604 -9.574 -5.175
252 1HB GLU 38 2HB GLU 38 -2.521 -7.378 -5.816
253 2HB GLU 38 3HB GLU 38 -0.831 -6.891 -5.807
254 1HG GLU 38 2HG GLU 38 -1.853 -9.276 -7.382
255 2HG GLU 38 3HG GLU 38 -1.727 -7.642 -8.031
256 H CYS 39 H CYS 39 -1.995 -7.408 -2.688
257 HA CYS 39 HA CYS 39 0.777 -6.519 -2.037
258 1HB CYS 39 2HB CYS 39 -1.683 -4.969 -1.373
259 2HB CYS 39 3HB CYS 39 -0.047 -4.375 -1.545
260 H LYS 40 H LYS 40 -1.992 -7.961 -0.591
261 HA LYS 40 HA LYS 40 -2.530 -7.347 1.766
262 1HB LYS 40 2HB LYS 40 -3.066 -9.526 0.727
263 2HB LYS 40 3HB LYS 40 -1.600 -10.195 1.445
264 1HG LYS 40 2HG LYS 40 -2.543 -9.290 3.716
265 2HG LYS 40 3HG LYS 40 -4.066 -9.070 2.844
266 1HD LYS 40 2HD LYS 40 -2.540 -11.681 3.263
267 2HD LYS 40 3HD LYS 40 -4.007 -11.169 4.111
268 1HE LYS 40 2HE LYS 40 -5.244 -11.163 1.947
269 2HE LYS 40 3HE LYS 40 -3.786 -11.723 1.123
270 1HZ LYS 40 1HZ LYS 40 -5.250 -13.572 1.656
271 2HZ LYS 40 2HZ LYS 40 -3.861 -13.737 2.495
272 3HZ LYS 40 3HZ LYS 40 -5.218 -13.225 3.250
273 HA PRO 41 HA PRO 41 1.252 -6.886 4.371
274 1HB PRO 41 2HB PRO 41 0.817 -4.384 5.230
275 2HB PRO 41 3HB PRO 41 1.284 -4.647 3.525
276 1HG PRO 41 2HG PRO 41 -1.488 -4.182 4.626
277 2HG PRO 41 3HG PRO 41 -0.685 -3.414 3.215
278 1HD PRO 41 2HD PRO 41 -2.370 -5.654 3.113
279 2HD PRO 41 3HD PRO 41 -1.191 -5.195 1.848
280 H GLN 42 H GLN 42 0.819 -5.719 6.824
281 HA GLN 42 HA GLN 42 -0.941 -7.406 8.324
282 1HB GLN 42 2HB GLN 42 0.946 -6.192 9.324
283 2HB GLN 42 3HB GLN 42 0.196 -4.641 8.918
284 1HG GLN 42 2HG GLN 42 -0.086 -5.179 11.303
285 2HG GLN 42 3HG GLN 42 -1.627 -5.045 10.471
286 1HE2 GLN 42 2HE2 GLN 42 -2.832 -6.350 11.877
287 2HE2 GLN 42 1HE2 GLN 42 -2.527 -8.086 12.049
288 H VAL 43 H VAL 43 -3.110 -7.347 8.596
289 HA VAL 43 HA VAL 43 -4.723 -5.030 7.646
290 HB VAL 43 HB VAL 43 -4.184 -6.608 5.787
291 1HG1 VAL 43 1HG1 VAL 43 -4.226 -8.751 7.005
292 2HG1 VAL 43 2HG1 VAL 43 -5.980 -8.587 7.245
293 3HG1 VAL 43 3HG1 VAL 43 -5.311 -8.760 5.611
294 1HG2 VAL 43 1HG2 VAL 43 -6.218 -5.162 5.748
295 2HG2 VAL 43 2HG2 VAL 43 -6.292 -6.621 4.754
296 3HG2 VAL 43 3HG2 VAL 43 -7.169 -6.577 6.283
297 H THR 44 H THR 44 -7.184 -5.615 7.954
298 HA THR 44 HA THR 44 -7.654 -5.599 10.711
299 HB THR 44 HB THR 44 -10.105 -6.033 9.983
300 HG1 THR 44 1HG THR 44 -10.455 -5.712 7.792
301 1HG2 THR 44 1HG2 THR 44 -9.251 -3.803 10.491
302 2HG2 THR 44 2HG2 THR 44 -8.544 -3.666 8.862
303 3HG2 THR 44 3HG2 THR 44 -10.309 -3.745 9.077
304 H ARG 45 H ARG 45 -8.223 -6.947 12.231
305 HA ARG 45 HA ARG 45 -8.340 -9.886 11.760
306 1HB ARG 45 2HB ARG 45 -6.914 -8.863 13.549
307 2HB ARG 45 3HB ARG 45 -8.374 -8.251 14.338
308 1HG ARG 45 2HG ARG 45 -9.162 -10.578 14.697
309 2HG ARG 45 3HG ARG 45 -7.758 -11.195 13.803
310 1HD ARG 45 2HD ARG 45 -7.344 -11.440 16.176
311 2HD ARG 45 3HD ARG 45 -6.247 -10.238 15.513
312 HE ARG 45 HE ARG 45 -7.207 -8.604 16.839
313 1HH1 ARG 45 2HH2 ARG 45 -9.373 -11.363 16.964
314 2HH1 ARG 45 1HH2 ARG 45 -10.320 -10.668 18.250
315 1HH2 ARG 45 1HH1 ARG 45 -8.450 -7.801 18.495
316 2HH2 ARG 45 2HH1 ARG 45 -9.812 -8.707 19.078
317 H GLY 46 H GLY 46 -10.463 -7.222 12.568
318 1HA GLY 46 2HA GLY 46 -12.853 -8.279 11.748
319 2HA GLY 46 3HA GLY 46 -12.749 -8.841 13.422
320 H ASP 47 H ASP 47 -11.558 -6.636 14.657
321 HA ASP 47 HA ASP 47 -13.201 -4.236 14.020
322 1HB ASP 47 2HB ASP 47 -14.286 -5.722 15.780
323 2HB ASP 47 3HB ASP 47 -12.883 -5.431 16.804
324 H VAL 48 H VAL 48 -10.266 -5.254 14.160
325 HA VAL 48 HA VAL 48 -8.944 -2.716 14.759
326 HB VAL 48 HB VAL 48 -7.206 -3.738 16.193
327 1HG1 VAL 48 1HG1 VAL 48 -8.365 -3.727 18.292
328 2HG1 VAL 48 2HG1 VAL 48 -9.084 -2.497 17.240
329 3HG1 VAL 48 3HG1 VAL 48 -9.923 -4.042 17.508
330 1HG2 VAL 48 1HG2 VAL 48 -7.479 -6.128 15.613
331 2HG2 VAL 48 2HG2 VAL 48 -7.556 -5.856 17.356
332 3HG2 VAL 48 3HG2 VAL 48 -9.053 -6.151 16.443
333 H PHE 49 H PHE 49 -6.602 -2.851 14.039
334 HA PHE 49 HA PHE 49 -6.008 -5.132 12.204
335 1HB PHE 49 2HB PHE 49 -5.400 -3.726 10.413
336 2HB PHE 49 3HB PHE 49 -6.987 -3.176 10.942
337 HD1 PHE 49 1HD PHE 49 -3.462 -2.294 10.509
338 HD2 PHE 49 2HD PHE 49 -7.202 -1.017 12.244
339 HE1 PHE 49 1HE PHE 49 -2.565 0.008 10.755
340 HE2 PHE 49 2HE PHE 49 -6.293 1.281 12.500
341 HZ PHE 49 HZ PHE 49 -3.975 1.796 11.756
342 H THR 50 H THR 50 -4.804 -3.086 14.684
343 HA THR 50 HA THR 50 -1.997 -3.132 13.985
344 HB THR 50 HB THR 50 -1.743 -2.506 16.442
345 HG1 THR 50 1HG THR 50 -3.635 -1.956 17.513
346 1HG2 THR 50 1HG2 THR 50 -2.673 -0.252 16.144
347 2HG2 THR 50 2HG2 THR 50 -1.893 -0.802 14.653
348 3HG2 THR 50 3HG2 THR 50 -3.665 -0.813 14.779
349 H MET 51 H MET 51 -0.324 -4.207 15.150
350 HA MET 51 HA MET 51 -0.890 -6.640 16.693
351 1HB MET 51 2HB MET 51 -1.042 -7.361 14.298
352 2HB MET 51 3HB MET 51 0.603 -6.774 14.034
353 1HG MET 51 2HG MET 51 0.633 -9.163 14.349
354 2HG MET 51 3HG MET 51 1.427 -8.399 15.734
355 1HE MET 51 1HE MET 51 1.353 -10.620 17.099
356 2HE MET 51 2HE MET 51 -0.108 -11.602 17.348
357 3HE MET 51 3HE MET 51 0.592 -11.450 15.721
Start of MODEL 12
1 1H ASP 1 1H ASP 1 2.775 -2.769 -21.013
2 2H ASP 1 2H ASP 1 1.249 -2.431 -20.530
3 3H ASP 1 3H ASP 1 2.505 -2.181 -19.510
4 HA ASP 1 HA ASP 1 1.596 -4.790 -20.525
5 1HB ASP 1 2HB ASP 1 4.024 -4.732 -20.203
6 2HB ASP 1 3HB ASP 1 3.816 -4.176 -18.536
7 H GLN 2 H GLN 2 2.339 -4.127 -17.136
8 HA GLN 2 HA GLN 2 -0.349 -3.384 -16.371
9 1HB GLN 2 2HB GLN 2 -0.728 -5.358 -14.874
10 2HB GLN 2 3HB GLN 2 -0.882 -5.677 -16.581
11 1HG GLN 2 2HG GLN 2 0.197 -7.528 -15.441
12 2HG GLN 2 3HG GLN 2 1.253 -6.824 -16.644
13 1HE2 GLN 2 2HE2 GLN 2 3.368 -6.612 -15.957
14 2HE2 GLN 2 1HE2 GLN 2 3.838 -6.425 -14.256
15 H GLU 3 H GLU 3 -0.408 -3.601 -13.770
16 HA GLU 3 HA GLU 3 2.214 -2.873 -12.585
17 1HB GLU 3 2HB GLU 3 1.134 -0.757 -13.250
18 2HB GLU 3 3HB GLU 3 -0.339 -1.216 -12.382
19 1HG GLU 3 2HG GLU 3 0.970 0.405 -11.106
20 2HG GLU 3 3HG GLU 3 0.846 -1.119 -10.239
21 H SER 4 H SER 4 2.514 -3.764 -10.636
22 HA SER 4 HA SER 4 0.322 -4.837 -8.977
23 1HB SER 4 2HB SER 4 2.461 -6.639 -10.235
24 2HB SER 4 3HB SER 4 1.342 -7.115 -8.943
25 HG SER 4 HG SER 4 0.810 -6.577 -11.656
26 H CYS 5 H CYS 5 0.994 -5.474 -6.910
27 HA CYS 5 HA CYS 5 3.141 -3.882 -5.834
28 1HB CYS 5 2HB CYS 5 0.895 -4.277 -4.842
29 2HB CYS 5 3HB CYS 5 1.329 -5.967 -4.571
30 H LYS 6 H LYS 6 3.278 -7.125 -7.011
31 HA LYS 6 HA LYS 6 4.743 -8.343 -4.884
32 1HB LYS 6 2HB LYS 6 4.475 -9.165 -7.792
33 2HB LYS 6 3HB LYS 6 5.201 -10.155 -6.506
34 1HG LYS 6 2HG LYS 6 3.039 -9.892 -5.196
35 2HG LYS 6 3HG LYS 6 2.312 -9.174 -6.639
36 1HD LYS 6 2HD LYS 6 3.521 -11.952 -6.433
37 2HD LYS 6 3HD LYS 6 1.808 -11.587 -6.335
38 1HE LYS 6 2HE LYS 6 3.571 -11.074 -8.780
39 2HE LYS 6 3HE LYS 6 2.545 -12.489 -8.544
40 1HZ LYS 6 1HZ LYS 6 1.356 -10.905 -9.864
41 2HZ LYS 6 2HZ LYS 6 0.608 -10.962 -8.408
42 3HZ LYS 6 3HZ LYS 6 1.571 -9.700 -8.785
43 H GLY 7 H GLY 7 6.426 -7.458 -4.179
44 1HA GLY 7 2HA GLY 7 8.976 -7.476 -4.494
45 2HA GLY 7 3HA GLY 7 8.652 -6.479 -5.921
46 H ARG 8 H ARG 8 6.347 -5.331 -3.895
47 HA ARG 8 HA ARG 8 8.136 -3.249 -2.660
48 1HB ARG 8 2HB ARG 8 5.532 -2.768 -4.156
49 2HB ARG 8 3HB ARG 8 6.623 -1.558 -3.476
50 1HG ARG 8 2HG ARG 8 8.407 -2.418 -5.092
51 2HG ARG 8 3HG ARG 8 7.109 -3.325 -5.889
52 1HD ARG 8 2HD ARG 8 7.252 -0.309 -5.488
53 2HD ARG 8 3HD ARG 8 7.518 -1.174 -7.004
54 HE ARG 8 HE ARG 8 4.924 -0.775 -5.579
55 1HH1 ARG 8 1HH1 ARG 8 6.471 -1.892 -8.573
56 2HH1 ARG 8 2HH1 ARG 8 4.901 -1.875 -9.389
57 1HH2 ARG 8 1HH2 ARG 8 3.028 -0.887 -6.824
58 2HH2 ARG 8 2HH2 ARG 8 3.200 -1.416 -8.504
59 H CYS 9 H CYS 9 5.036 -4.966 -2.302
60 HA CYS 9 HA CYS 9 3.600 -3.552 -0.672
61 1HB CYS 9 2HB CYS 9 4.127 -6.459 -0.015
62 2HB CYS 9 3HB CYS 9 2.615 -5.551 0.133
63 H THR 10 H THR 10 3.118 -3.088 1.353
64 HA THR 10 HA THR 10 3.294 -2.551 3.528
65 HB THR 10 HB THR 10 5.460 -4.530 4.163
66 HG1 THR 10 1HG THR 10 4.043 -6.192 4.104
67 1HG2 THR 10 1HG2 THR 10 4.344 -3.209 5.983
68 2HG2 THR 10 2HG2 THR 10 2.777 -3.862 5.470
69 3HG2 THR 10 3HG2 THR 10 4.027 -4.942 6.128
70 H GLU 11 H GLU 11 5.072 -1.351 1.509
71 HA GLU 11 HA GLU 11 7.601 -0.617 2.653
72 1HB GLU 11 2HB GLU 11 7.553 1.115 0.852
73 2HB GLU 11 3HB GLU 11 7.380 -0.540 0.297
74 1HG GLU 11 2HG GLU 11 4.918 -0.196 0.033
75 2HG GLU 11 3HG GLU 11 5.093 1.460 0.633
76 H GLY 12 H GLY 12 4.538 0.499 3.574
77 1HA GLY 12 2HA GLY 12 4.089 2.201 5.168
78 2HA GLY 12 3HA GLY 12 5.551 3.069 4.734
79 H PHE 13 H PHE 13 2.502 3.530 4.745
80 HA PHE 13 HA PHE 13 1.592 3.950 2.095
81 1HB PHE 13 2HB PHE 13 0.101 3.542 3.938
82 2HB PHE 13 3HB PHE 13 0.673 4.976 4.798
83 HD1 PHE 13 1HD PHE 13 -1.456 3.662 2.074
84 HD2 PHE 13 2HD PHE 13 -0.152 7.199 4.183
85 HE1 PHE 13 1HE PHE 13 -3.442 4.901 1.247
86 HE2 PHE 13 2HE PHE 13 -2.083 8.449 3.268
87 HZ PHE 13 HZ PHE 13 -3.726 7.296 1.811
88 H ASN 14 H ASN 14 1.374 5.647 0.783
89 HA ASN 14 HA ASN 14 1.733 8.408 1.628
90 1HB ASN 14 2HB ASN 14 4.060 7.763 1.111
91 2HB ASN 14 3HB ASN 14 3.576 7.205 -0.494
92 1HD2 ASN 14 2HD2 ASN 14 5.561 9.251 0.126
93 2HD2 ASN 14 1HD2 ASN 14 4.943 10.748 -0.574
94 H VAL 15 H VAL 15 -0.122 9.240 0.862
95 HA VAL 15 HA VAL 15 -1.636 7.836 -1.121
96 HB VAL 15 HB VAL 15 -2.384 9.093 0.989
97 1HG1 VAL 15 1HG1 VAL 15 -2.827 11.387 -0.913
98 2HG1 VAL 15 2HG1 VAL 15 -3.358 11.229 0.780
99 3HG1 VAL 15 3HG1 VAL 15 -1.629 11.344 0.410
100 1HG2 VAL 15 1HG2 VAL 15 -3.799 7.763 -0.479
101 2HG2 VAL 15 2HG2 VAL 15 -4.643 9.163 0.195
102 3HG2 VAL 15 3HG2 VAL 15 -4.097 9.192 -1.499
103 H ASP 16 H ASP 16 0.754 10.157 -1.657
104 HA ASP 16 HA ASP 16 -0.369 11.301 -4.114
105 1HB ASP 16 2HB ASP 16 1.260 12.461 -2.614
106 2HB ASP 16 3HB ASP 16 2.477 11.254 -3.066
107 H LYS 17 H LYS 17 1.296 8.357 -3.308
108 HA LYS 17 HA LYS 17 2.642 7.926 -5.847
109 1HB LYS 17 2HB LYS 17 1.984 5.985 -3.586
110 2HB LYS 17 3HB LYS 17 3.122 5.670 -4.903
111 1HG LYS 17 2HG LYS 17 3.420 7.827 -2.772
112 2HG LYS 17 3HG LYS 17 4.267 6.274 -2.828
113 1HD LYS 17 2HD LYS 17 5.361 6.953 -4.958
114 2HD LYS 17 3HD LYS 17 4.545 8.536 -4.862
115 1HE LYS 17 2HE LYS 17 5.622 8.980 -2.689
116 2HE LYS 17 3HE LYS 17 6.434 7.403 -2.754
117 1HZ LYS 17 1HZ LYS 17 7.600 8.165 -4.755
118 2HZ LYS 17 2HZ LYS 17 6.847 9.616 -4.701
119 3HZ LYS 17 3HZ LYS 17 7.893 9.191 -3.523
120 H LYS 18 H LYS 18 2.362 5.899 -7.102
121 HA LYS 18 HA LYS 18 -0.278 5.965 -8.338
122 1HB LYS 18 2HB LYS 18 2.384 4.709 -8.973
123 2HB LYS 18 3HB LYS 18 0.938 4.102 -9.792
124 1HG LYS 18 2HG LYS 18 1.968 5.794 -11.162
125 2HG LYS 18 3HG LYS 18 0.403 6.382 -10.575
126 1HD LYS 18 2HD LYS 18 1.613 7.701 -8.806
127 2HD LYS 18 3HD LYS 18 3.156 7.151 -9.497
128 1HE LYS 18 2HE LYS 18 2.551 8.188 -11.670
129 2HE LYS 18 3HE LYS 18 1.001 8.711 -10.997
130 1HZ LYS 18 1HZ LYS 18 3.667 9.614 -10.038
131 2HZ LYS 18 2HZ LYS 18 2.629 10.504 -10.927
132 3HZ LYS 18 3HZ LYS 18 2.236 10.087 -9.400
133 H CYS 19 H CYS 19 1.065 3.959 -5.942
134 HA CYS 19 HA CYS 19 -1.531 2.599 -5.674
135 1HB CYS 19 2HB CYS 19 -0.735 0.453 -5.340
136 2HB CYS 19 3HB CYS 19 0.050 0.943 -6.841
137 H GLN 20 H GLN 20 -2.022 2.226 -3.562
138 HA GLN 20 HA GLN 20 -0.153 3.274 -1.467
139 1HB GLN 20 2HB GLN 20 -3.180 3.073 -1.651
140 2HB GLN 20 3HB GLN 20 -2.332 3.281 -0.122
141 1HG GLN 20 2HG GLN 20 -3.012 5.453 -0.972
142 2HG GLN 20 3HG GLN 20 -1.260 5.329 -0.842
143 1HE2 GLN 20 2HE2 GLN 20 -0.277 6.445 -2.562
144 2HE2 GLN 20 1HE2 GLN 20 -0.983 6.498 -4.173
145 H CYS 21 H CYS 21 0.828 1.153 -2.273
146 HA CYS 21 HA CYS 21 -0.276 -1.393 -1.625
147 1HB CYS 21 2HB CYS 21 2.529 -0.391 -2.288
148 2HB CYS 21 3HB CYS 21 2.081 -2.079 -2.116
149 H ASP 22 H ASP 22 -0.562 0.004 0.759
150 HA ASP 22 HA ASP 22 1.139 -1.412 2.710
151 1HB ASP 22 2HB ASP 22 2.295 0.746 2.108
152 2HB ASP 22 3HB ASP 22 0.857 1.620 2.668
153 H GLU 23 H GLU 23 0.412 -0.972 4.950
154 HA GLU 23 HA GLU 23 -2.057 -2.078 5.343
155 1HB GLU 23 2HB GLU 23 -0.570 -0.360 7.360
156 2HB GLU 23 3HB GLU 23 -1.691 -1.684 7.693
157 1HG GLU 23 2HG GLU 23 -0.070 -3.240 6.501
158 2HG GLU 23 3HG GLU 23 1.083 -1.898 6.425
159 H LEU 24 H LEU 24 -1.517 1.470 5.372
160 HA LEU 24 HA LEU 24 -4.081 2.032 6.641
161 1HB LEU 24 2HB LEU 24 -2.155 3.859 5.159
162 2HB LEU 24 3HB LEU 24 -3.538 4.388 6.109
163 HG LEU 24 HG LEU 24 -1.054 2.992 7.184
164 1HD1 LEU 24 1HD1 LEU 24 -0.664 5.125 8.312
165 2HD1 LEU 24 2HD1 LEU 24 -0.803 5.393 6.568
166 3HD1 LEU 24 3HD1 LEU 24 -2.164 5.796 7.634
167 1HD2 LEU 24 1HD2 LEU 24 -2.956 2.268 8.541
168 2HD2 LEU 24 2HD2 LEU 24 -2.037 3.478 9.436
169 3HD2 LEU 24 3HD2 LEU 24 -3.563 3.936 8.646
170 H CYS 25 H CYS 25 -3.381 1.222 3.357
171 HA CYS 25 HA CYS 25 -5.038 3.108 2.053
172 1HB CYS 25 2HB CYS 25 -4.795 1.809 0.148
173 2HB CYS 25 3HB CYS 25 -3.316 1.547 1.082
174 H SER 26 H SER 26 -6.036 0.233 3.807
175 HA SER 26 HA SER 26 -8.642 -0.089 2.629
176 1HB SER 26 2HB SER 26 -9.083 -1.527 4.542
177 2HB SER 26 3HB SER 26 -7.495 -1.878 3.846
178 HG SER 26 HG SER 26 -7.421 -1.734 6.145
179 H TYR 27 H TYR 27 -7.441 2.308 4.779
180 HA TYR 27 HA TYR 27 -10.157 3.173 5.642
181 1HB TYR 27 2HB TYR 27 -8.789 3.426 7.444
182 2HB TYR 27 3HB TYR 27 -7.350 3.698 6.491
183 HD1 TYR 27 1HD TYR 27 -10.596 5.425 7.359
184 HD2 TYR 27 2HD TYR 27 -6.417 5.798 6.362
185 HE1 TYR 27 1HE TYR 27 -10.733 7.897 7.680
186 HE2 TYR 27 2HE TYR 27 -6.564 8.266 6.627
187 HH TYR 27 HH TYR 27 -7.910 10.047 7.174
188 H TYR 28 H TYR 28 -7.387 4.359 3.655
189 HA TYR 28 HA TYR 28 -8.774 6.731 2.765
190 1HB TYR 28 2HB TYR 28 -6.241 5.314 1.899
191 2HB TYR 28 3HB TYR 28 -6.838 6.755 1.079
192 HD1 TYR 28 1HD TYR 28 -5.174 5.517 4.100
193 HD2 TYR 28 2HD TYR 28 -6.930 8.947 2.164
194 HE1 TYR 28 1HE TYR 28 -3.928 7.019 5.640
195 HE2 TYR 28 2HE TYR 28 -5.675 10.454 3.706
196 HH TYR 28 HH TYR 28 -3.468 9.188 6.230
197 H GLN 29 H GLN 29 -8.971 3.482 1.578
198 HA GLN 29 HA GLN 29 -9.992 2.482 -0.135
199 1HB GLN 29 2HB GLN 29 -11.459 5.019 -0.884
200 2HB GLN 29 3HB GLN 29 -11.937 3.347 -1.139
201 1HG GLN 29 2HG GLN 29 -11.912 4.896 1.468
202 2HG GLN 29 3HG GLN 29 -13.311 4.260 0.601
203 1HE2 GLN 29 2HE2 GLN 29 -11.714 3.767 3.352
204 2HE2 GLN 29 1HE2 GLN 29 -11.724 2.004 3.453
205 H SER 30 H SER 30 -7.480 4.122 -0.600
206 HA SER 30 HA SER 30 -7.567 4.843 -3.455
207 1HB SER 30 2HB SER 30 -5.279 5.801 -2.795
208 2HB SER 30 3HB SER 30 -6.697 6.469 -1.955
209 HG SER 30 HG SER 30 -5.129 5.982 -0.439
210 H CYS 31 H CYS 31 -6.770 2.058 -1.812
211 HA CYS 31 HA CYS 31 -4.214 1.349 -2.500
212 1HB CYS 31 2HB CYS 31 -6.359 0.210 -1.139
213 2HB CYS 31 3HB CYS 31 -6.084 -0.915 -2.478
214 H CYS 32 H CYS 32 -3.410 -0.519 -3.678
215 HA CYS 32 HA CYS 32 -3.708 -0.512 -6.516
216 1HB CYS 32 2HB CYS 32 -2.700 -2.871 -6.293
217 2HB CYS 32 3HB CYS 32 -1.716 -1.535 -5.718
218 H THR 33 H THR 33 -4.812 -1.879 -7.926
219 HA THR 33 HA THR 33 -7.480 -2.180 -7.521
220 HB THR 33 HB THR 33 -5.907 -3.887 -9.477
221 HG1 THR 33 1HG THR 33 -5.908 -2.053 -10.788
222 1HG2 THR 33 1HG2 THR 33 -8.615 -2.485 -9.685
223 2HG2 THR 33 2HG2 THR 33 -7.788 -3.322 -11.019
224 3HG2 THR 33 3HG2 THR 33 -8.340 -4.241 -9.619
225 H ASP 34 H ASP 34 -5.134 -4.623 -6.652
226 HA ASP 34 HA ASP 34 -7.305 -6.489 -5.793
227 1HB ASP 34 2HB ASP 34 -4.779 -7.156 -7.352
228 2HB ASP 34 3HB ASP 34 -5.853 -8.356 -6.619
229 H TYR 35 H TYR 35 -5.648 -4.537 -4.203
230 HA TYR 35 HA TYR 35 -3.590 -5.318 -2.752
231 1HB TYR 35 2HB TYR 35 -4.813 -3.311 -2.209
232 2HB TYR 35 3HB TYR 35 -6.153 -4.260 -1.559
233 HD1 TYR 35 1HD TYR 35 -2.599 -3.240 -0.973
234 HD2 TYR 35 2HD TYR 35 -6.091 -5.167 0.686
235 HE1 TYR 35 1HE TYR 35 -1.530 -3.245 1.261
236 HE2 TYR 35 2HE TYR 35 -5.014 -5.149 2.933
237 HH TYR 35 HH TYR 35 -1.751 -3.775 3.469
238 H THR 36 H THR 36 -6.769 -6.640 -1.641
239 HA THR 36 HA THR 36 -5.586 -8.226 0.354
240 HB THR 36 HB THR 36 -8.250 -9.026 -0.788
241 HG1 THR 36 1HG THR 36 -9.188 -7.227 0.176
242 1HG2 THR 36 1HG2 THR 36 -7.479 -10.043 1.349
243 2HG2 THR 36 2HG2 THR 36 -7.228 -8.426 2.037
244 3HG2 THR 36 3HG2 THR 36 -8.867 -8.988 1.632
245 H ALA 37 H ALA 37 -5.429 -8.910 -2.949
246 HA ALA 37 HA ALA 37 -4.826 -11.798 -2.406
247 1HB ALA 37 1HB ALA 37 -6.845 -11.519 -3.781
248 2HB ALA 37 2HB ALA 37 -5.932 -10.524 -4.941
249 3HB ALA 37 3HB ALA 37 -5.521 -12.239 -4.720
250 H GLU 38 H GLU 38 -3.741 -8.827 -4.058
251 HA GLU 38 HA GLU 38 -1.247 -10.222 -4.965
252 1HB GLU 38 2HB GLU 38 -2.747 -7.837 -6.103
253 2HB GLU 38 3HB GLU 38 -1.241 -8.492 -6.751
254 1HG GLU 38 2HG GLU 38 -3.921 -9.938 -6.628
255 2HG GLU 38 3HG GLU 38 -3.177 -9.232 -8.055
256 H CYS 39 H CYS 39 -2.287 -7.645 -2.863
257 HA CYS 39 HA CYS 39 0.533 -6.723 -2.678
258 1HB CYS 39 2HB CYS 39 -1.678 -4.949 -1.875
259 2HB CYS 39 3HB CYS 39 -0.105 -4.494 -2.392
260 H LYS 40 H LYS 40 -1.644 -8.510 -1.103
261 HA LYS 40 HA LYS 40 -1.890 -7.461 1.444
262 1HB LYS 40 2HB LYS 40 -3.262 -9.222 0.479
263 2HB LYS 40 3HB LYS 40 -1.918 -10.369 0.581
264 1HG LYS 40 2HG LYS 40 -1.980 -10.345 3.000
265 2HG LYS 40 3HG LYS 40 -3.028 -8.909 3.020
266 1HD LYS 40 2HD LYS 40 -4.339 -10.888 3.562
267 2HD LYS 40 3HD LYS 40 -4.865 -10.181 2.033
268 1HE LYS 40 2HE LYS 40 -3.298 -11.926 0.898
269 2HE LYS 40 3HE LYS 40 -3.221 -12.709 2.482
270 1HZ LYS 40 1HZ LYS 40 -5.661 -12.185 0.871
271 2HZ LYS 40 2HZ LYS 40 -4.993 -13.655 1.132
272 3HZ LYS 40 3HZ LYS 40 -5.693 -12.856 2.375
273 HA PRO 41 HA PRO 41 2.270 -7.928 3.280
274 1HB PRO 41 2HB PRO 41 0.440 -7.871 5.696
275 2HB PRO 41 3HB PRO 41 2.028 -7.072 5.471
276 1HG PRO 41 2HG PRO 41 -0.280 -5.667 5.177
277 2HG PRO 41 3HG PRO 41 1.067 -5.428 4.015
278 1HD PRO 41 2HD PRO 41 -1.468 -6.985 3.598
279 2HD PRO 41 3HD PRO 41 -0.528 -5.981 2.471
280 H GLN 42 H GLN 42 3.289 -9.872 3.420
281 HA GLN 42 HA GLN 42 1.813 -12.284 3.270
282 1HB GLN 42 2HB GLN 42 4.779 -11.869 3.808
283 2HB GLN 42 3HB GLN 42 4.017 -13.414 3.386
284 1HG GLN 42 2HG GLN 42 3.193 -12.336 1.242
285 2HG GLN 42 3HG GLN 42 4.198 -10.932 1.628
286 1HE2 GLN 42 2HE2 GLN 42 6.633 -11.532 2.118
287 2HE2 GLN 42 1HE2 GLN 42 7.302 -12.817 1.111
288 H VAL 43 H VAL 43 1.146 -13.764 4.676
289 HA VAL 43 HA VAL 43 1.566 -13.509 7.572
290 HB VAL 43 HB VAL 43 0.183 -15.716 5.990
291 1HG1 VAL 43 1HG1 VAL 43 -0.875 -16.242 8.175
292 2HG1 VAL 43 2HG1 VAL 43 0.874 -16.456 8.254
293 3HG1 VAL 43 3HG1 VAL 43 0.129 -15.007 8.964
294 1HG2 VAL 43 1HG2 VAL 43 -1.914 -14.619 6.744
295 2HG2 VAL 43 2HG2 VAL 43 -0.966 -13.283 7.432
296 3HG2 VAL 43 3HG2 VAL 43 -0.986 -13.563 5.679
297 H THR 44 H THR 44 3.688 -13.795 8.045
298 HA THR 44 HA THR 44 5.461 -15.590 6.747
299 HB THR 44 HB THR 44 6.127 -13.564 8.002
300 HG1 THR 44 1HG THR 44 8.030 -14.507 8.728
301 1HG2 THR 44 1HG2 THR 44 5.880 -15.296 10.503
302 2HG2 THR 44 2HG2 THR 44 6.554 -13.658 10.393
303 3HG2 THR 44 3HG2 THR 44 4.826 -13.919 10.109
304 H ARG 45 H ARG 45 6.717 -17.277 7.692
305 HA ARG 45 HA ARG 45 5.377 -19.098 9.637
306 1HB ARG 45 2HB ARG 45 4.590 -19.745 7.410
307 2HB ARG 45 3HB ARG 45 6.236 -19.815 6.799
308 1HG ARG 45 2HG ARG 45 5.265 -22.040 7.162
309 2HG ARG 45 3HG ARG 45 6.723 -21.786 8.121
310 1HD ARG 45 2HD ARG 45 5.198 -21.254 10.114
311 2HD ARG 45 3HD ARG 45 3.833 -21.696 9.094
312 HE ARG 45 HE ARG 45 4.375 -23.939 9.340
313 1HH1 ARG 45 2HH2 ARG 45 7.160 -22.106 10.492
314 2HH1 ARG 45 1HH2 ARG 45 7.870 -23.521 11.227
315 1HH2 ARG 45 1HH1 ARG 45 5.386 -25.683 10.254
316 2HH2 ARG 45 2HH1 ARG 45 6.914 -25.488 11.060
317 H GLY 46 H GLY 46 8.271 -17.654 8.581
318 1HA GLY 46 2HA GLY 46 10.432 -17.797 9.305
319 2HA GLY 46 3HA GLY 46 9.846 -18.768 10.655
320 H ASP 47 H ASP 47 9.218 -20.177 7.571
321 HA ASP 47 HA ASP 47 11.650 -21.886 7.608
322 1HB ASP 47 2HB ASP 47 9.837 -22.796 9.142
323 2HB ASP 47 3HB ASP 47 8.810 -22.981 7.721
324 H VAL 48 H VAL 48 10.511 -19.840 5.731
325 HA VAL 48 HA VAL 48 10.474 -21.434 3.221
326 HB VAL 48 HB VAL 48 8.646 -20.032 2.319
327 1HG1 VAL 48 1HG1 VAL 48 8.204 -22.311 3.188
328 2HG1 VAL 48 2HG1 VAL 48 7.775 -21.615 4.766
329 3HG1 VAL 48 3HG1 VAL 48 6.805 -21.234 3.330
330 1HG2 VAL 48 1HG2 VAL 48 7.105 -18.837 3.806
331 2HG2 VAL 48 2HG2 VAL 48 8.157 -19.147 5.200
332 3HG2 VAL 48 3HG2 VAL 48 8.709 -18.104 3.870
333 H PHE 49 H PHE 49 11.177 -20.350 1.372
334 HA PHE 49 HA PHE 49 13.151 -18.279 1.801
335 1HB PHE 49 2HB PHE 49 13.342 -20.139 0.172
336 2HB PHE 49 3HB PHE 49 11.993 -19.470 -0.751
337 HD1 PHE 49 1HD PHE 49 12.411 -17.864 -2.465
338 HD2 PHE 49 2HD PHE 49 15.456 -18.683 0.480
339 HE1 PHE 49 1HE PHE 49 14.029 -16.485 -3.750
340 HE2 PHE 49 2HE PHE 49 17.070 -17.301 -0.807
341 HZ PHE 49 HZ PHE 49 16.359 -16.200 -2.924
342 H THR 50 H THR 50 9.768 -18.163 0.908
343 HA THR 50 HA THR 50 9.798 -15.762 -0.655
344 HB THR 50 HB THR 50 7.290 -15.885 -0.300
345 HG1 THR 50 1HG THR 50 6.536 -17.733 0.732
346 1HG2 THR 50 1HG2 THR 50 6.996 -17.930 -1.609
347 2HG2 THR 50 2HG2 THR 50 8.411 -17.040 -2.194
348 3HG2 THR 50 3HG2 THR 50 8.630 -18.485 -1.182
349 H MET 51 H MET 51 9.905 -16.088 2.780
350 HA MET 51 HA MET 51 9.370 -13.194 3.154
351 1HB MET 51 2HB MET 51 7.192 -14.359 3.440
352 2HB MET 51 3HB MET 51 7.904 -15.385 4.685
353 1HG MET 51 2HG MET 51 6.601 -13.595 5.668
354 2HG MET 51 3HG MET 51 8.306 -13.416 6.105
355 1HE MET 51 1HE MET 51 7.604 -11.003 7.027
356 2HE MET 51 2HE MET 51 6.830 -9.752 6.028
357 3HE MET 51 3HE MET 51 5.936 -11.229 6.449
Start of MODEL 13
1 1H ASP 1 1H ASP 1 2.718 7.449 -15.742
2 2H ASP 1 2H ASP 1 4.041 7.197 -16.682
3 3H ASP 1 3H ASP 1 2.785 6.131 -16.712
4 HA ASP 1 HA ASP 1 4.549 5.161 -15.462
5 1HB ASP 1 2HB ASP 1 4.432 7.741 -13.844
6 2HB ASP 1 3HB ASP 1 5.308 6.282 -13.355
7 H GLN 2 H GLN 2 4.164 3.814 -13.693
8 HA GLN 2 HA GLN 2 1.662 4.030 -12.155
9 1HB GLN 2 2HB GLN 2 0.818 1.888 -12.950
10 2HB GLN 2 3HB GLN 2 0.885 3.053 -14.251
11 1HG GLN 2 2HG GLN 2 3.111 1.002 -13.863
12 2HG GLN 2 3HG GLN 2 1.615 0.600 -14.686
13 1HE2 GLN 2 2HE2 GLN 2 1.144 1.547 -16.778
14 2HE2 GLN 2 1HE2 GLN 2 2.438 2.325 -17.689
15 H GLU 3 H GLU 3 1.410 1.885 -10.824
16 HA GLU 3 HA GLU 3 4.018 0.795 -9.889
17 1HB GLU 3 2HB GLU 3 1.905 2.091 -8.114
18 2HB GLU 3 3HB GLU 3 3.266 1.111 -7.532
19 1HG GLU 3 2HG GLU 3 4.852 2.731 -8.558
20 2HG GLU 3 3HG GLU 3 3.507 3.765 -9.006
21 H SER 4 H SER 4 3.794 -1.142 -8.596
22 HA SER 4 HA SER 4 1.211 -2.501 -8.412
23 1HB SER 4 2HB SER 4 1.803 -4.453 -9.675
24 2HB SER 4 3HB SER 4 2.009 -3.053 -10.743
25 HG SER 4 HG SER 4 4.239 -3.170 -10.408
26 H CYS 5 H CYS 5 1.479 -4.672 -7.282
27 HA CYS 5 HA CYS 5 3.025 -4.355 -4.956
28 1HB CYS 5 2HB CYS 5 0.872 -5.668 -5.342
29 2HB CYS 5 3HB CYS 5 1.856 -6.952 -6.056
30 H LYS 6 H LYS 6 4.290 -5.430 -7.930
31 HA LYS 6 HA LYS 6 5.748 -7.739 -7.148
32 1HB LYS 6 2HB LYS 6 6.134 -5.808 -9.452
33 2HB LYS 6 3HB LYS 6 7.020 -7.339 -9.273
34 1HG LYS 6 2HG LYS 6 4.869 -8.580 -9.180
35 2HG LYS 6 3HG LYS 6 3.980 -7.072 -9.459
36 1HD LYS 6 2HD LYS 6 6.021 -8.261 -11.369
37 2HD LYS 6 3HD LYS 6 4.270 -8.480 -11.470
38 1HE LYS 6 2HE LYS 6 3.987 -5.996 -11.654
39 2HE LYS 6 3HE LYS 6 5.741 -5.807 -11.626
40 1HZ LYS 6 1HZ LYS 6 4.901 -5.818 -13.899
41 2HZ LYS 6 2HZ LYS 6 5.849 -7.127 -13.679
42 3HZ LYS 6 3HZ LYS 6 4.223 -7.289 -13.708
43 H GLY 7 H GLY 7 6.977 -7.725 -5.523
44 1HA GLY 7 2HA GLY 7 8.820 -7.498 -4.172
45 2HA GLY 7 3HA GLY 7 9.625 -6.589 -5.463
46 H ARG 8 H ARG 8 6.536 -5.512 -3.987
47 HA ARG 8 HA ARG 8 8.008 -3.212 -2.711
48 1HB ARG 8 2HB ARG 8 5.752 -3.105 -4.748
49 2HB ARG 8 3HB ARG 8 6.206 -1.751 -3.713
50 1HG ARG 8 2HG ARG 8 8.586 -1.960 -4.599
51 2HG ARG 8 3HG ARG 8 7.963 -3.130 -5.769
52 1HD ARG 8 2HD ARG 8 8.091 -0.990 -6.820
53 2HD ARG 8 3HD ARG 8 6.373 -1.400 -6.613
54 HE ARG 8 HE ARG 8 7.115 0.069 -4.315
55 1HH1 ARG 8 1HH1 ARG 8 7.076 0.901 -7.742
56 2HH1 ARG 8 2HH1 ARG 8 6.551 2.532 -7.359
57 1HH2 ARG 8 1HH2 ARG 8 6.351 2.010 -3.997
58 2HH2 ARG 8 2HH2 ARG 8 6.069 3.105 -5.367
59 H CYS 9 H CYS 9 4.802 -4.910 -2.691
60 HA CYS 9 HA CYS 9 3.489 -3.412 -0.944
61 1HB CYS 9 2HB CYS 9 3.660 -6.421 -1.163
62 2HB CYS 9 3HB CYS 9 2.392 -5.577 -0.235
63 H THR 10 H THR 10 3.156 -2.963 1.027
64 HA THR 10 HA THR 10 3.443 -2.489 3.195
65 HB THR 10 HB THR 10 5.418 -4.723 3.674
66 HG1 THR 10 1HG THR 10 3.676 -6.073 3.966
67 1HG2 THR 10 1HG2 THR 10 4.901 -3.258 5.628
68 2HG2 THR 10 2HG2 THR 10 3.166 -3.510 5.355
69 3HG2 THR 10 3HG2 THR 10 4.209 -4.862 5.847
70 H GLU 11 H GLU 11 5.296 -1.607 0.934
71 HA GLU 11 HA GLU 11 7.780 -0.775 2.039
72 1HB GLU 11 2HB GLU 11 7.727 0.971 0.246
73 2HB GLU 11 3HB GLU 11 7.533 -0.679 -0.298
74 1HG GLU 11 2HG GLU 11 5.063 -0.312 -0.545
75 2HG GLU 11 3HG GLU 11 5.268 1.338 0.066
76 H GLY 12 H GLY 12 4.599 0.594 2.559
77 1HA GLY 12 2HA GLY 12 4.448 1.956 4.665
78 2HA GLY 12 3HA GLY 12 5.763 2.950 4.027
79 H PHE 13 H PHE 13 3.236 3.938 4.814
80 HA PHE 13 HA PHE 13 1.509 4.262 2.494
81 1HB PHE 13 2HB PHE 13 0.421 4.035 4.553
82 2HB PHE 13 3HB PHE 13 1.475 5.206 5.357
83 HD1 PHE 13 1HD PHE 13 0.732 7.400 5.659
84 HD2 PHE 13 2HD PHE 13 -1.108 4.976 2.583
85 HE1 PHE 13 1HE PHE 13 -0.960 9.168 5.272
86 HE2 PHE 13 2HE PHE 13 -2.842 6.704 2.278
87 HZ PHE 13 HZ PHE 13 -2.746 8.823 3.585
88 H ASN 14 H ASN 14 1.342 5.777 1.111
89 HA ASN 14 HA ASN 14 1.811 8.568 1.656
90 1HB ASN 14 2HB ASN 14 4.120 7.970 1.058
91 2HB ASN 14 3HB ASN 14 3.565 7.213 -0.441
92 1HD2 ASN 14 2HD2 ASN 14 5.443 9.035 -0.849
93 2HD2 ASN 14 1HD2 ASN 14 4.750 10.560 -1.404
94 H VAL 15 H VAL 15 -0.245 9.042 1.115
95 HA VAL 15 HA VAL 15 -1.729 7.618 -0.854
96 HB VAL 15 HB VAL 15 -2.477 8.745 1.285
97 1HG1 VAL 15 1HG1 VAL 15 -2.997 11.150 -0.447
98 2HG1 VAL 15 2HG1 VAL 15 -3.468 10.884 1.251
99 3HG1 VAL 15 3HG1 VAL 15 -1.756 11.030 0.832
100 1HG2 VAL 15 1HG2 VAL 15 -3.938 7.482 -0.142
101 2HG2 VAL 15 2HG2 VAL 15 -4.763 8.858 0.596
102 3HG2 VAL 15 3HG2 VAL 15 -4.282 8.937 -1.115
103 H ASP 16 H ASP 16 0.457 10.157 -1.410
104 HA ASP 16 HA ASP 16 -0.851 11.300 -3.755
105 1HB ASP 16 2HB ASP 16 0.796 12.482 -2.281
106 2HB ASP 16 3HB ASP 16 2.053 11.396 -2.897
107 H LYS 17 H LYS 17 1.067 8.435 -3.205
108 HA LYS 17 HA LYS 17 2.187 8.176 -5.875
109 1HB LYS 17 2HB LYS 17 1.741 5.985 -3.826
110 2HB LYS 17 3HB LYS 17 2.863 5.993 -5.205
111 1HG LYS 17 2HG LYS 17 4.117 7.875 -4.150
112 2HG LYS 17 3HG LYS 17 3.118 7.647 -2.705
113 1HD LYS 17 2HD LYS 17 5.110 5.696 -3.941
114 2HD LYS 17 3HD LYS 17 5.166 6.467 -2.353
115 1HE LYS 17 2HE LYS 17 4.417 4.418 -1.678
116 2HE LYS 17 3HE LYS 17 2.852 5.181 -1.999
117 1HZ LYS 17 1HZ LYS 17 2.534 3.417 -3.347
118 2HZ LYS 17 2HZ LYS 17 3.563 4.054 -4.420
119 3HZ LYS 17 3HZ LYS 17 4.115 2.966 -3.291
120 H LYS 18 H LYS 18 1.819 5.969 -7.043
121 HA LYS 18 HA LYS 18 -0.932 6.112 -8.094
122 1HB LYS 18 2HB LYS 18 1.658 4.916 -9.030
123 2HB LYS 18 3HB LYS 18 0.139 4.322 -9.714
124 1HG LYS 18 2HG LYS 18 1.007 6.051 -11.140
125 2HG LYS 18 3HG LYS 18 -0.465 6.645 -10.351
126 1HD LYS 18 2HD LYS 18 0.963 7.909 -8.717
127 2HD LYS 18 3HD LYS 18 2.406 7.269 -9.510
128 1HE LYS 18 2HE LYS 18 2.082 9.495 -10.293
129 2HE LYS 18 3HE LYS 18 1.739 8.395 -11.632
130 1HZ LYS 18 1HZ LYS 18 -0.640 8.728 -11.196
131 2HZ LYS 18 2HZ LYS 18 -0.317 9.717 -9.930
132 3HZ LYS 18 3HZ LYS 18 0.077 10.168 -11.446
133 H CYS 19 H CYS 19 0.907 3.838 -6.120
134 HA CYS 19 HA CYS 19 -1.707 2.479 -5.583
135 1HB CYS 19 2HB CYS 19 -0.836 0.385 -5.376
136 2HB CYS 19 3HB CYS 19 -0.064 0.936 -6.855
137 H GLN 20 H GLN 20 -2.171 2.130 -3.536
138 HA GLN 20 HA GLN 20 -0.199 2.944 -1.433
139 1HB GLN 20 2HB GLN 20 -3.224 2.999 -1.510
140 2HB GLN 20 3HB GLN 20 -2.284 3.074 -0.014
141 1HG GLN 20 2HG GLN 20 -2.816 5.299 -0.660
142 2HG GLN 20 3HG GLN 20 -1.074 5.040 -0.715
143 1HE2 GLN 20 2HE2 GLN 20 -0.256 6.385 -2.384
144 2HE2 GLN 20 1HE2 GLN 20 -1.097 6.558 -3.924
145 H CYS 21 H CYS 21 0.730 0.974 -2.275
146 HA CYS 21 HA CYS 21 -0.310 -1.655 -1.595
147 1HB CYS 21 2HB CYS 21 2.475 -0.600 -2.349
148 2HB CYS 21 3HB CYS 21 2.011 -2.290 -2.259
149 H ASP 22 H ASP 22 -0.688 -0.293 0.679
150 HA ASP 22 HA ASP 22 1.421 -1.129 2.612
151 1HB ASP 22 2HB ASP 22 1.528 1.122 3.536
152 2HB ASP 22 3HB ASP 22 1.937 1.151 1.820
153 H GLU 23 H GLU 23 0.741 -0.319 4.887
154 HA GLU 23 HA GLU 23 -1.482 -1.953 5.631
155 1HB GLU 23 2HB GLU 23 0.195 -0.100 7.366
156 2HB GLU 23 3HB GLU 23 -0.732 -1.512 7.888
157 1HG GLU 23 2HG GLU 23 0.766 -2.936 6.417
158 2HG GLU 23 3HG GLU 23 1.770 -1.513 6.141
159 H LEU 24 H LEU 24 -1.638 1.356 4.765
160 HA LEU 24 HA LEU 24 -3.961 1.874 6.611
161 1HB LEU 24 2HB LEU 24 -1.912 3.807 5.473
162 2HB LEU 24 3HB LEU 24 -3.303 4.259 6.449
163 HG LEU 24 HG LEU 24 -0.961 2.558 7.411
164 1HD1 LEU 24 1HD1 LEU 24 -1.784 5.418 8.066
165 2HD1 LEU 24 2HD1 LEU 24 -0.418 4.526 8.775
166 3HD1 LEU 24 3HD1 LEU 24 -0.406 4.938 7.054
167 1HD2 LEU 24 1HD2 LEU 24 -3.001 1.929 8.631
168 2HD2 LEU 24 2HD2 LEU 24 -1.953 2.897 9.670
169 3HD2 LEU 24 3HD2 LEU 24 -3.384 3.642 8.920
170 H CYS 25 H CYS 25 -3.202 1.357 3.375
171 HA CYS 25 HA CYS 25 -4.555 3.331 1.993
172 1HB CYS 25 2HB CYS 25 -4.436 1.862 0.148
173 2HB CYS 25 3HB CYS 25 -3.046 1.520 1.195
174 H SER 26 H SER 26 -6.118 0.531 3.572
175 HA SER 26 HA SER 26 -8.565 0.675 2.077
176 1HB SER 26 2HB SER 26 -9.426 -0.870 3.767
177 2HB SER 26 3HB SER 26 -7.830 -1.358 3.182
178 HG SER 26 HG SER 26 -8.002 -1.471 5.487
179 H TYR 27 H TYR 27 -7.511 2.235 5.047
180 HA TYR 27 HA TYR 27 -9.995 3.501 5.787
181 1HB TYR 27 2HB TYR 27 -8.414 3.306 7.466
182 2HB TYR 27 3HB TYR 27 -7.078 3.761 6.441
183 HD1 TYR 27 1HD TYR 27 -6.141 5.857 6.558
184 HD2 TYR 27 2HD TYR 27 -10.139 5.246 8.056
185 HE1 TYR 27 1HE TYR 27 -6.160 8.186 7.435
186 HE2 TYR 27 2HE TYR 27 -10.154 7.570 8.959
187 HH TYR 27 HH TYR 27 -8.993 9.530 9.197
188 H TYR 28 H TYR 28 -7.694 4.194 3.250
189 HA TYR 28 HA TYR 28 -9.057 6.776 2.595
190 1HB TYR 28 2HB TYR 28 -6.390 5.569 1.808
191 2HB TYR 28 3HB TYR 28 -7.071 6.983 1.006
192 HD1 TYR 28 1HD TYR 28 -5.232 5.806 3.903
193 HD2 TYR 28 2HD TYR 28 -7.516 9.093 2.295
194 HE1 TYR 28 1HE TYR 28 -4.204 7.335 5.572
195 HE2 TYR 28 2HE TYR 28 -6.481 10.627 3.968
196 HH TYR 28 HH TYR 28 -4.058 9.491 6.353
197 H GLN 29 H GLN 29 -9.346 3.552 1.809
198 HA GLN 29 HA GLN 29 -9.937 2.281 0.056
199 1HB GLN 29 2HB GLN 29 -11.621 4.672 -0.787
200 2HB GLN 29 3HB GLN 29 -11.831 2.995 -1.279
201 1HG GLN 29 2HG GLN 29 -13.454 3.255 0.353
202 2HG GLN 29 3HG GLN 29 -12.151 2.419 1.204
203 1HE2 GLN 29 2HE2 GLN 29 -11.589 3.335 3.192
204 2HE2 GLN 29 1HE2 GLN 29 -11.956 5.005 3.641
205 H SER 30 H SER 30 -7.459 3.551 -0.299
206 HA SER 30 HA SER 30 -7.296 4.369 -3.160
207 1HB SER 30 2HB SER 30 -5.191 5.445 -2.396
208 2HB SER 30 3HB SER 30 -6.617 5.981 -1.480
209 HG SER 30 HG SER 30 -4.961 5.478 -0.040
210 H CYS 31 H CYS 31 -6.749 1.573 -1.479
211 HA CYS 31 HA CYS 31 -4.189 0.712 -1.871
212 1HB CYS 31 2HB CYS 31 -6.672 -1.007 -2.164
213 2HB CYS 31 3HB CYS 31 -5.062 -1.502 -1.624
214 H CYS 32 H CYS 32 -3.129 -0.770 -3.242
215 HA CYS 32 HA CYS 32 -3.140 -0.592 -6.008
216 1HB CYS 32 2HB CYS 32 -2.401 -3.200 -5.713
217 2HB CYS 32 3HB CYS 32 -1.339 -1.826 -5.444
218 H THR 33 H THR 33 -3.993 -1.705 -7.763
219 HA THR 33 HA THR 33 -6.705 -2.120 -7.811
220 HB THR 33 HB THR 33 -4.840 -3.451 -9.796
221 HG1 THR 33 1HG THR 33 -4.628 -1.421 -10.749
222 1HG2 THR 33 1HG2 THR 33 -7.248 -3.673 -10.300
223 2HG2 THR 33 2HG2 THR 33 -7.467 -1.919 -10.109
224 3HG2 THR 33 3HG2 THR 33 -6.488 -2.565 -11.446
225 H ASP 34 H ASP 34 -4.347 -4.552 -7.010
226 HA ASP 34 HA ASP 34 -6.488 -6.619 -6.687
227 1HB ASP 34 2HB ASP 34 -3.638 -6.990 -7.682
228 2HB ASP 34 3HB ASP 34 -4.746 -8.307 -7.268
229 H TYR 35 H TYR 35 -5.432 -4.617 -4.763
230 HA TYR 35 HA TYR 35 -3.503 -5.381 -3.024
231 1HB TYR 35 2HB TYR 35 -4.617 -3.293 -2.771
232 2HB TYR 35 3HB TYR 35 -6.176 -4.064 -2.514
233 HD1 TYR 35 1HD TYR 35 -2.917 -3.175 -0.862
234 HD2 TYR 35 2HD TYR 35 -6.895 -4.806 -0.378
235 HE1 TYR 35 1HE TYR 35 -2.712 -2.996 1.599
236 HE2 TYR 35 2HE TYR 35 -6.695 -4.559 2.081
237 HH TYR 35 HH TYR 35 -5.411 -3.810 3.808
238 H THR 36 H THR 36 -6.903 -6.598 -2.648
239 HA THR 36 HA THR 36 -6.271 -8.151 -0.324
240 HB THR 36 HB THR 36 -8.470 -9.350 -0.901
241 HG1 THR 36 1HG THR 36 -9.736 -8.229 -2.400
242 1HG2 THR 36 1HG2 THR 36 -8.547 -6.324 -0.606
243 2HG2 THR 36 2HG2 THR 36 -9.755 -7.501 -0.047
244 3HG2 THR 36 3HG2 THR 36 -8.152 -7.451 0.713
245 H ALA 37 H ALA 37 -5.546 -8.867 -3.600
246 HA ALA 37 HA ALA 37 -5.245 -11.781 -3.000
247 1HB ALA 37 1HB ALA 37 -5.386 -10.298 -5.655
248 2HB ALA 37 2HB ALA 37 -5.265 -12.056 -5.436
249 3HB ALA 37 3HB ALA 37 -6.717 -11.196 -4.888
250 H GLU 38 H GLU 38 -3.417 -8.873 -3.812
251 HA GLU 38 HA GLU 38 -0.889 -10.499 -3.960
252 1HB GLU 38 2HB GLU 38 -1.483 -7.778 -5.175
253 2HB GLU 38 3HB GLU 38 0.031 -8.698 -5.292
254 1HG GLU 38 2HG GLU 38 -1.304 -10.555 -6.398
255 2HG GLU 38 3HG GLU 38 -2.661 -9.431 -6.500
256 H CYS 39 H CYS 39 -2.083 -7.286 -2.781
257 HA CYS 39 HA CYS 39 0.513 -6.860 -1.493
258 1HB CYS 39 2HB CYS 39 -1.830 -5.019 -1.312
259 2HB CYS 39 3HB CYS 39 -0.150 -4.597 -1.254
260 H LYS 40 H LYS 40 -2.614 -7.807 -0.449
261 HA LYS 40 HA LYS 40 -3.270 -6.829 1.846
262 1HB LYS 40 2HB LYS 40 -4.411 -8.606 0.689
263 2HB LYS 40 3HB LYS 40 -3.297 -9.797 1.341
264 1HG LYS 40 2HG LYS 40 -4.081 -9.324 3.630
265 2HG LYS 40 3HG LYS 40 -5.046 -7.964 3.031
266 1HD LYS 40 2HD LYS 40 -6.545 -9.715 3.462
267 2HD LYS 40 3HD LYS 40 -6.451 -9.593 1.716
268 1HE LYS 40 2HE LYS 40 -4.895 -11.640 3.377
269 2HE LYS 40 3HE LYS 40 -6.524 -11.922 2.768
270 1HZ LYS 40 1HZ LYS 40 -5.011 -12.869 1.225
271 2HZ LYS 40 2HZ LYS 40 -5.627 -11.546 0.484
272 3HZ LYS 40 3HZ LYS 40 -4.111 -11.519 1.102
273 HA PRO 41 HA PRO 41 0.061 -7.703 4.917
274 1HB PRO 41 2HB PRO 41 -0.051 -5.356 6.237
275 2HB PRO 41 3HB PRO 41 0.675 -5.440 4.606
276 1HG PRO 41 2HG PRO 41 -2.127 -4.548 5.350
277 2HG PRO 41 3HG PRO 41 -0.947 -3.742 4.263
278 1HD PRO 41 2HD PRO 41 -2.970 -5.467 3.428
279 2HD PRO 41 3HD PRO 41 -1.476 -5.153 2.504
280 H GLN 42 H GLN 42 -0.438 -7.053 7.526
281 HA GLN 42 HA GLN 42 -2.777 -8.542 8.333
282 1HB GLN 42 2HB GLN 42 -0.763 -8.297 9.732
283 2HB GLN 42 3HB GLN 42 -1.090 -6.559 9.924
284 1HG GLN 42 2HG GLN 42 -3.204 -7.053 11.072
285 2HG GLN 42 3HG GLN 42 -3.008 -8.782 10.776
286 1HE2 GLN 42 2HE2 GLN 42 -3.491 -7.951 13.316
287 2HE2 GLN 42 1HE2 GLN 42 -2.021 -8.112 14.291
288 H VAL 43 H VAL 43 -4.817 -7.890 8.772
289 HA VAL 43 HA VAL 43 -5.602 -5.024 8.475
290 HB VAL 43 HB VAL 43 -7.594 -5.811 7.155
291 1HG1 VAL 43 1HG1 VAL 43 -4.897 -6.243 5.840
292 2HG1 VAL 43 2HG1 VAL 43 -6.432 -5.872 5.035
293 3HG1 VAL 43 3HG1 VAL 43 -5.687 -4.680 6.116
294 1HG2 VAL 43 1HG2 VAL 43 -7.511 -7.917 5.962
295 2HG2 VAL 43 2HG2 VAL 43 -5.963 -8.353 6.707
296 3HG2 VAL 43 3HG2 VAL 43 -7.441 -8.261 7.696
297 H THR 44 H THR 44 -5.193 -6.212 10.886
298 HA THR 44 HA THR 44 -7.916 -6.167 12.102
299 HB THR 44 HB THR 44 -7.173 -7.847 13.765
300 HG1 THR 44 1HG THR 44 -5.401 -9.163 13.161
301 1HG2 THR 44 1HG2 THR 44 -7.460 -9.823 12.392
302 2HG2 THR 44 2HG2 THR 44 -8.521 -8.541 11.785
303 3HG2 THR 44 3HG2 THR 44 -7.016 -8.930 10.922
304 H ARG 45 H ARG 45 -7.912 -5.592 14.376
305 HA ARG 45 HA ARG 45 -5.642 -4.101 15.488
306 1HB ARG 45 2HB ARG 45 -6.891 -1.930 15.570
307 2HB ARG 45 3HB ARG 45 -6.385 -2.433 13.982
308 1HG ARG 45 2HG ARG 45 -8.542 -1.427 13.824
309 2HG ARG 45 3HG ARG 45 -8.665 -3.129 13.394
310 1HD ARG 45 2HD ARG 45 -10.608 -2.450 14.670
311 2HD ARG 45 3HD ARG 45 -9.696 -3.624 15.585
312 HE ARG 45 HE ARG 45 -9.247 -2.018 17.227
313 1HH1 ARG 45 1HH2 ARG 45 -10.670 -0.319 14.504
314 2HH1 ARG 45 2HH2 ARG 45 -10.923 1.124 15.447
315 1HH2 ARG 45 1HH1 ARG 45 -9.574 -0.199 18.332
316 2HH2 ARG 45 2HH1 ARG 45 -10.307 1.197 17.571
317 H GLY 46 H GLY 46 -6.413 -2.855 17.488
318 1HA GLY 46 2HA GLY 46 -8.783 -3.949 18.879
319 2HA GLY 46 3HA GLY 46 -7.223 -4.281 19.644
320 H ASP 47 H ASP 47 -5.930 -2.481 20.349
321 HA ASP 47 HA ASP 47 -7.200 0.216 20.412
322 1HB ASP 47 2HB ASP 47 -7.725 -1.155 22.472
323 2HB ASP 47 3HB ASP 47 -5.998 -1.222 22.810
324 H VAL 48 H VAL 48 -4.858 -1.138 19.025
325 HA VAL 48 HA VAL 48 -2.914 1.023 19.226
326 HB VAL 48 HB VAL 48 -2.214 -0.464 21.066
327 1HG1 VAL 48 1HG1 VAL 48 -1.717 -2.611 18.963
328 2HG1 VAL 48 2HG1 VAL 48 -1.277 -2.678 20.680
329 3HG1 VAL 48 3HG1 VAL 48 -2.980 -2.653 20.213
330 1HG2 VAL 48 1HG2 VAL 48 0.109 -0.617 20.554
331 2HG2 VAL 48 2HG2 VAL 48 -0.191 -0.620 18.813
332 3HG2 VAL 48 3HG2 VAL 48 -0.525 0.842 19.781
333 H PHE 49 H PHE 49 -1.521 1.091 17.420
334 HA PHE 49 HA PHE 49 -2.216 -0.708 15.122
335 1HB PHE 49 2HB PHE 49 -2.102 2.328 15.223
336 2HB PHE 49 3HB PHE 49 -2.216 1.386 13.737
337 HD1 PHE 49 1HD PHE 49 -4.253 0.213 13.092
338 HD2 PHE 49 2HD PHE 49 -4.066 2.500 16.744
339 HE1 PHE 49 1HE PHE 49 -6.730 0.178 13.242
340 HE2 PHE 49 2HE PHE 49 -6.545 2.433 16.911
341 HZ PHE 49 HZ PHE 49 -7.878 1.279 15.155
342 H THR 50 H THR 50 0.403 0.510 16.934
343 HA THR 50 HA THR 50 2.391 0.691 14.826
344 HB THR 50 HB THR 50 3.998 0.435 16.764
345 HG1 THR 50 1HG THR 50 3.088 0.521 18.819
346 1HG2 THR 50 1HG2 THR 50 3.215 2.664 15.999
347 2HG2 THR 50 2HG2 THR 50 1.839 2.566 17.120
348 3HG2 THR 50 3HG2 THR 50 3.502 2.622 17.746
349 H MET 51 H MET 51 1.004 -1.923 16.629
350 HA MET 51 HA MET 51 1.417 -4.180 16.812
351 1HB MET 51 2HB MET 51 1.353 -3.731 13.810
352 2HB MET 51 3HB MET 51 1.088 -5.284 14.615
353 1HG MET 51 2HG MET 51 -0.830 -4.347 15.843
354 2HG MET 51 3HG MET 51 -0.623 -2.798 15.011
355 1HE MET 51 1HE MET 51 -0.072 -3.468 11.977
356 2HE MET 51 2HE MET 51 -1.740 -3.510 11.371
357 3HE MET 51 3HE MET 51 -1.264 -2.288 12.570
Start of MODEL 14
1 1H ASP 1 1H ASP 1 -8.021 5.967 -8.796
2 2H ASP 1 2H ASP 1 -8.737 5.967 -10.275
3 3H ASP 1 3H ASP 1 -8.674 4.579 -9.375
4 HA ASP 1 HA ASP 1 -7.079 4.450 -11.134
5 1HB ASP 1 2HB ASP 1 -5.994 7.023 -9.913
6 2HB ASP 1 3HB ASP 1 -5.124 6.014 -11.081
7 H GLN 2 H GLN 2 -5.682 2.861 -10.716
8 HA GLN 2 HA GLN 2 -4.341 2.631 -8.071
9 1HB GLN 2 2HB GLN 2 -5.955 0.379 -9.348
10 2HB GLN 2 3HB GLN 2 -5.011 0.313 -7.870
11 1HG GLN 2 2HG GLN 2 -7.073 0.495 -6.959
12 2HG GLN 2 3HG GLN 2 -6.649 2.199 -7.026
13 1HE2 GLN 2 2HE2 GLN 2 -8.527 -0.405 -8.668
14 2HE2 GLN 2 1HE2 GLN 2 -9.654 0.712 -9.438
15 H GLU 3 H GLU 3 -2.792 0.664 -8.148
16 HA GLU 3 HA GLU 3 -1.760 -0.033 -10.806
17 1HB GLU 3 2HB GLU 3 -0.716 2.181 -10.081
18 2HB GLU 3 3HB GLU 3 0.099 1.289 -8.785
19 1HG GLU 3 2HG GLU 3 1.314 -0.040 -10.446
20 2HG GLU 3 3HG GLU 3 0.340 0.634 -11.755
21 H SER 4 H SER 4 -0.144 -1.768 -10.718
22 HA SER 4 HA SER 4 -0.829 -3.804 -8.771
23 1HB SER 4 2HB SER 4 -0.351 -4.160 -11.222
24 2HB SER 4 3HB SER 4 1.374 -3.898 -10.860
25 HG SER 4 HG SER 4 0.606 -6.141 -10.816
26 H CYS 5 H CYS 5 0.936 -5.164 -7.765
27 HA CYS 5 HA CYS 5 2.753 -3.365 -6.205
28 1HB CYS 5 2HB CYS 5 0.586 -4.200 -5.320
29 2HB CYS 5 3HB CYS 5 1.271 -5.834 -5.267
30 H LYS 6 H LYS 6 3.472 -5.365 -8.544
31 HA LYS 6 HA LYS 6 4.797 -7.580 -7.316
32 1HB LYS 6 2HB LYS 6 5.414 -6.458 -10.063
33 2HB LYS 6 3HB LYS 6 5.662 -8.107 -9.489
34 1HG LYS 6 2HG LYS 6 3.045 -6.695 -10.114
35 2HG LYS 6 3HG LYS 6 3.779 -8.042 -10.977
36 1HD LYS 6 2HD LYS 6 2.505 -8.150 -8.221
37 2HD LYS 6 3HD LYS 6 1.858 -8.786 -9.733
38 1HE LYS 6 2HE LYS 6 3.978 -10.262 -9.848
39 2HE LYS 6 3HE LYS 6 4.267 -9.784 -8.169
40 1HZ LYS 6 1HZ LYS 6 1.917 -10.632 -7.733
41 2HZ LYS 6 2HZ LYS 6 1.929 -11.270 -9.223
42 3HZ LYS 6 3HZ LYS 6 3.012 -11.799 -8.124
43 H GLY 7 H GLY 7 6.154 -7.031 -5.744
44 1HA GLY 7 2HA GLY 7 8.416 -6.914 -5.038
45 2HA GLY 7 3HA GLY 7 8.829 -5.917 -6.439
46 H ARG 8 H ARG 8 5.949 -4.935 -4.661
47 HA ARG 8 HA ARG 8 7.515 -2.665 -3.429
48 1HB ARG 8 2HB ARG 8 4.819 -2.476 -4.829
49 2HB ARG 8 3HB ARG 8 5.758 -1.157 -4.123
50 1HG ARG 8 2HG ARG 8 7.646 -1.872 -5.756
51 2HG ARG 8 3HG ARG 8 6.380 -2.768 -6.609
52 1HD ARG 8 2HD ARG 8 6.423 0.225 -6.024
53 2HD ARG 8 3HD ARG 8 6.793 -0.571 -7.569
54 HE ARG 8 HE ARG 8 4.154 -1.307 -6.733
55 1HH1 ARG 8 2HH2 ARG 8 5.796 1.525 -8.104
56 2HH1 ARG 8 1HH2 ARG 8 4.291 2.025 -8.878
57 1HH2 ARG 8 1HH1 ARG 8 2.393 -0.519 -7.870
58 2HH2 ARG 8 2HH1 ARG 8 2.568 1.040 -8.687
59 H CYS 9 H CYS 9 4.811 -4.825 -2.921
60 HA CYS 9 HA CYS 9 3.299 -3.552 -1.140
61 1HB CYS 9 2HB CYS 9 4.026 -6.460 -0.744
62 2HB CYS 9 3HB CYS 9 2.478 -5.659 -0.443
63 H THR 10 H THR 10 3.031 -3.110 0.913
64 HA THR 10 HA THR 10 3.369 -2.633 3.071
65 HB THR 10 HB THR 10 5.521 -4.705 3.448
66 HG1 THR 10 1HG THR 10 4.005 -6.289 3.512
67 1HG2 THR 10 1HG2 THR 10 3.074 -3.867 5.083
68 2HG2 THR 10 2HG2 THR 10 4.238 -5.129 5.546
69 3HG2 THR 10 3HG2 THR 10 4.755 -3.445 5.448
70 H GLU 11 H GLU 11 5.041 -1.350 0.974
71 HA GLU 11 HA GLU 11 7.632 -0.722 2.053
72 1HB GLU 11 2HB GLU 11 7.600 1.110 0.403
73 2HB GLU 11 3HB GLU 11 7.271 -0.462 -0.298
74 1HG GLU 11 2HG GLU 11 4.908 0.068 -0.568
75 2HG GLU 11 3HG GLU 11 5.064 1.500 0.455
76 H GLY 12 H GLY 12 4.583 0.442 3.084
77 1HA GLY 12 2HA GLY 12 4.411 2.011 4.953
78 2HA GLY 12 3HA GLY 12 5.721 2.969 4.253
79 H PHE 13 H PHE 13 3.506 4.325 4.866
80 HA PHE 13 HA PHE 13 1.690 4.463 2.512
81 1HB PHE 13 2HB PHE 13 0.490 4.202 4.467
82 2HB PHE 13 3HB PHE 13 1.554 5.258 5.408
83 HD1 PHE 13 1HD PHE 13 -1.105 5.241 2.761
84 HD2 PHE 13 2HD PHE 13 1.099 7.571 5.653
85 HE1 PHE 13 1HE PHE 13 -2.723 7.102 2.509
86 HE2 PHE 13 2HE PHE 13 -0.516 9.435 5.384
87 HZ PHE 13 HZ PHE 13 -2.430 9.197 3.824
88 H ASN 14 H ASN 14 1.564 6.087 1.165
89 HA ASN 14 HA ASN 14 2.301 8.811 1.791
90 1HB ASN 14 2HB ASN 14 4.543 7.927 1.190
91 2HB ASN 14 3HB ASN 14 3.914 7.358 -0.364
92 1HD2 ASN 14 2HD2 ASN 14 6.077 9.032 -0.393
93 2HD2 ASN 14 1HD2 ASN 14 5.572 10.628 -0.946
94 H VAL 15 H VAL 15 0.162 9.195 1.366
95 HA VAL 15 HA VAL 15 -1.433 8.005 -0.534
96 HB VAL 15 HB VAL 15 -2.033 9.256 1.519
97 1HG1 VAL 15 1HG1 VAL 15 -2.215 11.688 -0.254
98 2HG1 VAL 15 2HG1 VAL 15 -2.734 11.524 1.443
99 3HG1 VAL 15 3HG1 VAL 15 -1.015 11.418 1.039
100 1HG2 VAL 15 1HG2 VAL 15 -3.671 8.202 0.079
101 2HG2 VAL 15 2HG2 VAL 15 -4.289 9.661 0.861
102 3HG2 VAL 15 3HG2 VAL 15 -3.833 9.713 -0.855
103 H ASP 16 H ASP 16 0.867 10.397 -1.364
104 HA ASP 16 HA ASP 16 -0.395 11.390 -3.780
105 1HB ASP 16 2HB ASP 16 1.436 12.523 -2.524
106 2HB ASP 16 3HB ASP 16 2.534 11.221 -3.013
107 H LYS 17 H LYS 17 1.335 8.400 -3.031
108 HA LYS 17 HA LYS 17 2.261 7.840 -5.710
109 1HB LYS 17 2HB LYS 17 1.877 6.013 -3.294
110 2HB LYS 17 3HB LYS 17 2.599 5.507 -4.830
111 1HG LYS 17 2HG LYS 17 4.277 7.415 -4.555
112 2HG LYS 17 3HG LYS 17 3.680 7.584 -2.888
113 1HD LYS 17 2HD LYS 17 4.271 5.187 -2.467
114 2HD LYS 17 3HD LYS 17 4.855 5.058 -4.145
115 1HE LYS 17 2HE LYS 17 6.453 6.979 -3.619
116 2HE LYS 17 3HE LYS 17 5.979 6.803 -1.918
117 1HZ LYS 17 1HZ LYS 17 7.958 5.504 -2.336
118 2HZ LYS 17 2HZ LYS 17 6.735 4.439 -2.090
119 3HZ LYS 17 3HZ LYS 17 7.275 4.724 -3.598
120 H LYS 18 H LYS 18 1.679 6.228 -7.134
121 HA LYS 18 HA LYS 18 -1.056 6.230 -7.958
122 1HB LYS 18 2HB LYS 18 1.465 4.865 -8.904
123 2HB LYS 18 3HB LYS 18 -0.092 4.351 -9.554
124 1HG LYS 18 2HG LYS 18 0.813 5.942 -11.058
125 2HG LYS 18 3HG LYS 18 -0.580 6.682 -10.251
126 1HD LYS 18 2HD LYS 18 0.985 7.903 -8.737
127 2HD LYS 18 3HD LYS 18 2.363 7.168 -9.587
128 1HE LYS 18 2HE LYS 18 1.593 8.211 -11.710
129 2HE LYS 18 3HE LYS 18 0.224 8.938 -10.860
130 1HZ LYS 18 1HZ LYS 18 3.084 9.521 -10.292
131 2HZ LYS 18 2HZ LYS 18 2.057 10.511 -11.080
132 3HZ LYS 18 3HZ LYS 18 1.818 10.189 -9.500
133 H CYS 19 H CYS 19 0.494 4.082 -5.776
134 HA CYS 19 HA CYS 19 -2.112 2.772 -5.348
135 1HB CYS 19 2HB CYS 19 -1.206 0.594 -4.983
136 2HB CYS 19 3HB CYS 19 -0.760 1.052 -6.619
137 H GLN 20 H GLN 20 -2.520 2.420 -3.215
138 HA GLN 20 HA GLN 20 -0.365 3.055 -1.229
139 1HB GLN 20 2HB GLN 20 -3.368 2.805 -0.901
140 2HB GLN 20 3HB GLN 20 -2.206 3.119 0.409
141 1HG GLN 20 2HG GLN 20 -2.903 4.927 -1.930
142 2HG GLN 20 3HG GLN 20 -3.100 5.253 -0.201
143 1HE2 GLN 20 2HE2 GLN 20 -1.168 6.089 -2.837
144 2HE2 GLN 20 1HE2 GLN 20 0.245 6.539 -1.878
145 H CYS 21 H CYS 21 0.627 1.220 -2.173
146 HA CYS 21 HA CYS 21 -0.373 -1.459 -1.793
147 1HB CYS 21 2HB CYS 21 2.369 -0.290 -2.454
148 2HB CYS 21 3HB CYS 21 1.979 -2.005 -2.398
149 H ASP 22 H ASP 22 -0.732 -0.251 0.666
150 HA ASP 22 HA ASP 22 1.144 -1.564 2.524
151 1HB ASP 22 2HB ASP 22 2.135 0.656 1.823
152 2HB ASP 22 3HB ASP 22 0.715 1.456 2.519
153 H GLU 23 H GLU 23 0.520 -0.917 4.867
154 HA GLU 23 HA GLU 23 -1.887 -2.175 5.424
155 1HB GLU 23 2HB GLU 23 -0.433 -0.314 7.332
156 2HB GLU 23 3HB GLU 23 -1.390 -1.747 7.716
157 1HG GLU 23 2HG GLU 23 0.362 -3.105 6.441
158 2HG GLU 23 3HG GLU 23 1.358 -1.651 6.387
159 H LEU 24 H LEU 24 -1.420 1.353 5.226
160 HA LEU 24 HA LEU 24 -3.956 1.919 6.605
161 1HB LEU 24 2HB LEU 24 -1.896 3.732 5.294
162 2HB LEU 24 3HB LEU 24 -3.287 4.286 6.219
163 HG LEU 24 HG LEU 24 -0.967 2.644 7.322
164 1HD1 LEU 24 1HD1 LEU 24 -1.823 5.528 7.808
165 2HD1 LEU 24 2HD1 LEU 24 -0.459 4.688 8.583
166 3HD1 LEU 24 3HD1 LEU 24 -0.430 5.003 6.844
167 1HD2 LEU 24 1HD2 LEU 24 -2.000 3.130 9.551
168 2HD2 LEU 24 2HD2 LEU 24 -3.439 3.763 8.719
169 3HD2 LEU 24 3HD2 LEU 24 -2.986 2.049 8.568
170 H CYS 25 H CYS 25 -3.397 1.057 3.386
171 HA CYS 25 HA CYS 25 -4.816 3.055 1.991
172 1HB CYS 25 2HB CYS 25 -4.761 1.631 0.179
173 2HB CYS 25 3HB CYS 25 -3.368 1.135 1.160
174 H SER 26 H SER 26 -6.172 0.338 3.801
175 HA SER 26 HA SER 26 -8.801 0.391 2.672
176 1HB SER 26 2HB SER 26 -7.676 -1.478 3.936
177 2HB SER 26 3HB SER 26 -8.014 -0.594 5.437
178 HG SER 26 HG SER 26 -10.270 -0.678 4.813
179 H TYR 27 H TYR 27 -7.361 2.717 4.627
180 HA TYR 27 HA TYR 27 -9.936 3.827 5.636
181 1HB TYR 27 2HB TYR 27 -8.439 3.719 7.375
182 2HB TYR 27 3HB TYR 27 -7.044 4.013 6.375
183 HD1 TYR 27 1HD TYR 27 -5.930 5.997 6.516
184 HD2 TYR 27 2HD TYR 27 -10.090 5.849 7.645
185 HE1 TYR 27 1HE TYR 27 -5.799 8.360 7.254
186 HE2 TYR 27 2HE TYR 27 -9.961 8.230 8.396
187 HH TYR 27 HH TYR 27 -6.938 10.143 8.155
188 H TYR 28 H TYR 28 -7.884 4.095 2.921
189 HA TYR 28 HA TYR 28 -9.014 6.779 2.189
190 1HB TYR 28 2HB TYR 28 -6.362 5.469 1.519
191 2HB TYR 28 3HB TYR 28 -6.992 6.882 0.667
192 HD1 TYR 28 1HD TYR 28 -5.211 5.756 3.614
193 HD2 TYR 28 2HD TYR 28 -7.439 9.024 1.886
194 HE1 TYR 28 1HE TYR 28 -4.159 7.333 5.226
195 HE2 TYR 28 2HE TYR 28 -6.398 10.596 3.507
196 HH TYR 28 HH TYR 28 -4.941 10.840 5.256
197 H GLN 29 H GLN 29 -9.032 3.463 1.328
198 HA GLN 29 HA GLN 29 -9.819 2.254 -0.367
199 1HB GLN 29 2HB GLN 29 -11.446 4.568 -1.418
200 2HB GLN 29 3HB GLN 29 -11.784 2.843 -1.489
201 1HG GLN 29 2HG GLN 29 -12.039 4.738 0.854
202 2HG GLN 29 3HG GLN 29 -13.296 3.753 0.104
203 1HE2 GLN 29 2HE2 GLN 29 -12.083 3.997 2.973
204 2HE2 GLN 29 1HE2 GLN 29 -11.667 2.331 3.390
205 H SER 30 H SER 30 -7.357 3.628 -0.748
206 HA SER 30 HA SER 30 -7.148 3.983 -3.706
207 1HB SER 30 2HB SER 30 -5.258 5.518 -3.094
208 2HB SER 30 3HB SER 30 -6.848 6.037 -2.496
209 HG SER 30 HG SER 30 -5.268 6.187 -0.873
210 H CYS 31 H CYS 31 -6.836 1.507 -2.032
211 HA CYS 31 HA CYS 31 -4.200 0.547 -1.841
212 1HB CYS 31 2HB CYS 31 -6.742 -0.984 -2.504
213 2HB CYS 31 3HB CYS 31 -5.286 -1.603 -1.717
214 H CYS 32 H CYS 32 -3.399 -1.452 -3.113
215 HA CYS 32 HA CYS 32 -2.787 -1.072 -5.797
216 1HB CYS 32 2HB CYS 32 -3.423 -3.811 -4.705
217 2HB CYS 32 3HB CYS 32 -2.199 -3.367 -5.887
218 H THR 33 H THR 33 -3.527 -2.179 -7.772
219 HA THR 33 HA THR 33 -6.267 -2.156 -8.361
220 HB THR 33 HB THR 33 -4.268 -3.975 -9.738
221 HG1 THR 33 1HG THR 33 -3.781 -2.112 -10.970
222 1HG2 THR 33 1HG2 THR 33 -6.564 -4.094 -10.650
223 2HG2 THR 33 2HG2 THR 33 -6.625 -2.320 -10.765
224 3HG2 THR 33 3HG2 THR 33 -5.502 -3.252 -11.781
225 H ASP 34 H ASP 34 -4.447 -4.796 -6.879
226 HA ASP 34 HA ASP 34 -6.975 -6.275 -6.420
227 1HB ASP 34 2HB ASP 34 -5.812 -7.104 -8.519
228 2HB ASP 34 3HB ASP 34 -4.466 -7.620 -7.494
229 H TYR 35 H TYR 35 -5.715 -4.690 -4.593
230 HA TYR 35 HA TYR 35 -3.613 -5.432 -3.060
231 1HB TYR 35 2HB TYR 35 -4.830 -3.378 -2.764
232 2HB TYR 35 3HB TYR 35 -6.239 -4.239 -2.139
233 HD1 TYR 35 1HD TYR 35 -6.268 -5.117 0.175
234 HD2 TYR 35 2HD TYR 35 -2.883 -2.929 -1.361
235 HE1 TYR 35 1HE TYR 35 -5.494 -4.654 2.497
236 HE2 TYR 35 2HE TYR 35 -2.115 -2.485 0.945
237 HH TYR 35 HH TYR 35 -2.712 -2.508 3.124
238 H THR 36 H THR 36 -6.910 -6.761 -2.396
239 HA THR 36 HA THR 36 -6.110 -8.152 -0.034
240 HB THR 36 HB THR 36 -8.314 -9.443 -0.465
241 HG1 THR 36 1HG THR 36 -9.668 -8.395 -1.935
242 1HG2 THR 36 1HG2 THR 36 -9.616 -7.524 0.306
243 2HG2 THR 36 2HG2 THR 36 -8.031 -7.558 1.102
244 3HG2 THR 36 3HG2 THR 36 -8.334 -6.405 -0.219
245 H ALA 37 H ALA 37 -5.521 -9.059 -3.304
246 HA ALA 37 HA ALA 37 -4.825 -11.816 -2.372
247 1HB ALA 37 1HB ALA 37 -5.313 -12.583 -4.650
248 2HB ALA 37 2HB ALA 37 -6.731 -11.797 -3.929
249 3HB ALA 37 3HB ALA 37 -5.746 -10.928 -5.128
250 H GLU 38 H GLU 38 -3.481 -8.905 -3.606
251 HA GLU 38 HA GLU 38 -0.931 -10.325 -4.346
252 1HB GLU 38 2HB GLU 38 -2.189 -7.734 -5.309
253 2HB GLU 38 3HB GLU 38 -0.498 -8.132 -5.607
254 1HG GLU 38 2HG GLU 38 -2.875 -9.808 -6.513
255 2HG GLU 38 3HG GLU 38 -1.976 -8.675 -7.518
256 H CYS 39 H CYS 39 -2.223 -7.705 -2.304
257 HA CYS 39 HA CYS 39 0.576 -7.070 -1.474
258 1HB CYS 39 2HB CYS 39 -1.604 -5.073 -1.181
259 2HB CYS 39 3HB CYS 39 0.109 -4.841 -1.462
260 H LYS 40 H LYS 40 -2.533 -7.954 -0.254
261 HA LYS 40 HA LYS 40 -2.978 -6.897 2.090
262 1HB LYS 40 2HB LYS 40 -4.283 -8.684 1.057
263 2HB LYS 40 3HB LYS 40 -3.131 -9.882 1.594
264 1HG LYS 40 2HG LYS 40 -4.969 -9.973 3.088
265 2HG LYS 40 3HG LYS 40 -3.650 -9.212 3.991
266 1HD LYS 40 2HD LYS 40 -4.668 -6.976 3.576
267 2HD LYS 40 3HD LYS 40 -5.966 -7.757 2.638
268 1HE LYS 40 2HE LYS 40 -6.641 -9.042 4.648
269 2HE LYS 40 3HE LYS 40 -5.314 -8.327 5.572
270 1HZ LYS 40 1HZ LYS 40 -7.595 -6.804 4.421
271 2HZ LYS 40 2HZ LYS 40 -7.408 -7.178 5.996
272 3HZ LYS 40 3HZ LYS 40 -6.366 -6.147 5.283
273 HA PRO 41 HA PRO 41 1.025 -7.575 4.054
274 1HB PRO 41 2HB PRO 41 0.993 -5.525 5.872
275 2HB PRO 41 3HB PRO 41 1.227 -5.286 4.112
276 1HG PRO 41 2HG PRO 41 -1.333 -4.978 5.691
277 2HG PRO 41 3HG PRO 41 -0.631 -3.879 4.452
278 1HD PRO 41 2HD PRO 41 -2.580 -5.690 3.872
279 2HD PRO 41 3HD PRO 41 -1.306 -5.237 2.697
280 H GLN 42 H GLN 42 1.847 -8.421 5.901
281 HA GLN 42 HA GLN 42 1.699 -10.249 7.295
282 1HB GLN 42 2HB GLN 42 1.752 -9.400 9.585
283 2HB GLN 42 3HB GLN 42 2.708 -8.434 8.459
284 1HG GLN 42 2HG GLN 42 1.108 -6.646 8.440
285 2HG GLN 42 3HG GLN 42 -0.102 -7.597 9.296
286 1HE2 GLN 42 2HE2 GLN 42 1.463 -4.952 9.946
287 2HE2 GLN 42 1HE2 GLN 42 1.922 -5.278 11.628
288 H VAL 43 H VAL 43 -0.582 -10.726 6.034
289 HA VAL 43 HA VAL 43 -2.967 -10.744 7.518
290 HB VAL 43 HB VAL 43 -2.812 -11.142 5.115
291 1HG1 VAL 43 1HG1 VAL 43 -2.342 -13.308 4.149
292 2HG1 VAL 43 2HG1 VAL 43 -0.915 -12.747 5.032
293 3HG1 VAL 43 3HG1 VAL 43 -1.965 -13.996 5.738
294 1HG2 VAL 43 1HG2 VAL 43 -4.284 -13.382 6.553
295 2HG2 VAL 43 2HG2 VAL 43 -4.864 -11.709 6.364
296 3HG2 VAL 43 3HG2 VAL 43 -4.631 -12.732 4.939
297 H THR 44 H THR 44 -3.873 -11.972 9.061
298 HA THR 44 HA THR 44 -2.710 -14.467 10.062
299 HB THR 44 HB THR 44 -1.145 -12.742 10.897
300 HG1 THR 44 1HG THR 44 -1.126 -13.520 12.941
301 1HG2 THR 44 1HG2 THR 44 -3.504 -11.684 12.509
302 2HG2 THR 44 2HG2 THR 44 -1.800 -11.195 12.664
303 3HG2 THR 44 3HG2 THR 44 -2.689 -10.830 11.183
304 H ARG 45 H ARG 45 -3.763 -14.887 12.352
305 HA ARG 45 HA ARG 45 -6.572 -15.261 11.826
306 1HB ARG 45 2HB ARG 45 -6.641 -16.448 13.904
307 2HB ARG 45 3HB ARG 45 -5.162 -16.880 13.055
308 1HG ARG 45 2HG ARG 45 -3.849 -15.384 14.566
309 2HG ARG 45 3HG ARG 45 -5.353 -14.916 15.385
310 1HD ARG 45 2HD ARG 45 -5.703 -17.449 15.801
311 2HD ARG 45 3HD ARG 45 -4.010 -17.646 15.360
312 HE ARG 45 HE ARG 45 -5.154 -16.372 17.791
313 1HH1 ARG 45 1HH2 ARG 45 -2.120 -16.946 16.107
314 2HH1 ARG 45 2HH2 ARG 45 -1.204 -16.637 17.559
315 1HH2 ARG 45 2HH1 ARG 45 -4.037 -15.969 19.446
316 2HH2 ARG 45 1HH1 ARG 45 -2.276 -16.086 19.467
317 H GLY 46 H GLY 46 -8.374 -14.684 13.121
318 1HA GLY 46 2HA GLY 46 -8.550 -11.851 13.722
319 2HA GLY 46 3HA GLY 46 -9.848 -13.039 13.808
320 H ASP 47 H ASP 47 -6.770 -13.065 15.569
321 HA ASP 47 HA ASP 47 -8.074 -12.633 18.205
322 1HB ASP 47 2HB ASP 47 -8.347 -14.997 17.749
323 2HB ASP 47 3HB ASP 47 -6.685 -15.152 17.229
324 H VAL 48 H VAL 48 -5.885 -11.522 16.319
325 HA VAL 48 HA VAL 48 -4.037 -10.584 18.409
326 HB VAL 48 HB VAL 48 -2.024 -10.950 17.045
327 1HG1 VAL 48 1HG1 VAL 48 -2.593 -12.576 18.817
328 2HG1 VAL 48 2HG1 VAL 48 -3.410 -13.586 17.603
329 3HG1 VAL 48 3HG1 VAL 48 -1.665 -13.290 17.486
330 1HG2 VAL 48 1HG2 VAL 48 -3.731 -12.741 15.269
331 2HG2 VAL 48 2HG2 VAL 48 -3.075 -11.156 14.808
332 3HG2 VAL 48 3HG2 VAL 48 -1.979 -12.497 15.168
333 H PHE 49 H PHE 49 -2.423 -8.925 17.130
334 HA PHE 49 HA PHE 49 -4.006 -7.299 15.209
335 1HB PHE 49 2HB PHE 49 -4.511 -6.562 17.540
336 2HB PHE 49 3HB PHE 49 -2.791 -6.250 17.793
337 HD1 PHE 49 1HD PHE 49 -5.503 -5.402 15.285
338 HD2 PHE 49 2HD PHE 49 -2.151 -4.000 17.607
339 HE1 PHE 49 1HE PHE 49 -5.802 -3.121 14.346
340 HE2 PHE 49 2HE PHE 49 -2.442 -1.725 16.657
341 HZ PHE 49 HZ PHE 49 -4.267 -1.283 15.024
342 H THR 50 H THR 50 -2.707 -5.477 14.291
343 HA THR 50 HA THR 50 -0.366 -6.611 13.050
344 HB THR 50 HB THR 50 -0.422 -4.410 11.771
345 HG1 THR 50 1HG THR 50 -2.227 -3.127 12.114
346 1HG2 THR 50 1HG2 THR 50 -3.072 -5.912 11.908
347 2HG2 THR 50 2HG2 THR 50 -2.461 -4.937 10.554
348 3HG2 THR 50 3HG2 THR 50 -1.642 -6.442 10.999
349 H MET 51 H MET 51 -0.519 -4.923 15.911
350 HA MET 51 HA MET 51 1.654 -3.127 15.903
351 1HB MET 51 2HB MET 51 1.677 -3.408 18.323
352 2HB MET 51 3HB MET 51 0.040 -3.233 17.701
353 1HG MET 51 2HG MET 51 -0.139 -5.791 17.788
354 2HG MET 51 3HG MET 51 1.390 -5.778 18.681
355 1HE MET 51 1HE MET 51 1.089 -3.201 20.614
356 2HE MET 51 2HE MET 51 0.420 -4.020 22.039
357 3HE MET 51 3HE MET 51 1.704 -4.802 21.091
Start of MODEL 15
1 1H ASP 1 1H ASP 1 2.576 -6.354 -21.229
2 2H ASP 1 2H ASP 1 3.515 -7.677 -21.458
3 3H ASP 1 3H ASP 1 2.068 -7.819 -20.696
4 HA ASP 1 HA ASP 1 3.902 -7.918 -19.127
5 1HB ASP 1 2HB ASP 1 5.295 -5.998 -18.722
6 2HB ASP 1 3HB ASP 1 5.430 -6.453 -20.423
7 H GLN 2 H GLN 2 3.862 -6.740 -16.977
8 HA GLN 2 HA GLN 2 1.386 -5.257 -16.369
9 1HB GLN 2 2HB GLN 2 0.749 -7.680 -16.467
10 2HB GLN 2 3HB GLN 2 1.995 -8.051 -15.285
11 1HG GLN 2 2HG GLN 2 -0.242 -8.028 -14.288
12 2HG GLN 2 3HG GLN 2 0.784 -6.813 -13.561
13 1HE2 GLN 2 2HE2 GLN 2 -0.481 -4.990 -13.080
14 2HE2 GLN 2 1HE2 GLN 2 -1.726 -4.370 -14.171
15 H GLU 3 H GLU 3 1.375 -4.418 -14.201
16 HA GLU 3 HA GLU 3 3.868 -4.712 -12.582
17 1HB GLU 3 2HB GLU 3 3.770 -2.511 -13.777
18 2HB GLU 3 3HB GLU 3 2.259 -2.148 -12.918
19 1HG GLU 3 2HG GLU 3 3.452 -2.279 -10.755
20 2HG GLU 3 3HG GLU 3 4.941 -2.744 -11.582
21 H SER 4 H SER 4 3.562 -4.750 -10.334
22 HA SER 4 HA SER 4 0.883 -4.856 -9.117
23 1HB SER 4 2HB SER 4 0.956 -7.211 -8.600
24 2HB SER 4 3HB SER 4 1.184 -7.057 -10.352
25 HG SER 4 HG SER 4 2.703 -8.498 -9.494
26 H CYS 5 H CYS 5 1.208 -5.947 -6.826
27 HA CYS 5 HA CYS 5 3.005 -4.327 -5.325
28 1HB CYS 5 2HB CYS 5 0.759 -5.310 -4.707
29 2HB CYS 5 3HB CYS 5 1.585 -6.860 -4.437
30 H LYS 6 H LYS 6 4.008 -6.984 -7.138
31 HA LYS 6 HA LYS 6 5.346 -8.554 -5.162
32 1HB LYS 6 2HB LYS 6 4.549 -9.293 -7.388
33 2HB LYS 6 3HB LYS 6 5.888 -8.413 -8.155
34 1HG LYS 6 2HG LYS 6 7.526 -9.866 -7.111
35 2HG LYS 6 3HG LYS 6 6.314 -10.524 -5.990
36 1HD LYS 6 2HD LYS 6 6.753 -12.166 -7.702
37 2HD LYS 6 3HD LYS 6 5.096 -11.550 -7.864
38 1HE LYS 6 2HE LYS 6 5.832 -10.057 -9.711
39 2HE LYS 6 3HE LYS 6 7.496 -10.620 -9.517
40 1HZ LYS 6 1HZ LYS 6 6.744 -12.853 -10.139
41 2HZ LYS 6 2HZ LYS 6 5.202 -12.338 -10.309
42 3HZ LYS 6 3HZ LYS 6 6.363 -11.793 -11.317
43 H GLY 7 H GLY 7 6.701 -7.607 -3.859
44 1HA GLY 7 2HA GLY 7 8.979 -7.033 -3.299
45 2HA GLY 7 3HA GLY 7 9.155 -6.206 -4.853
46 H ARG 8 H ARG 8 6.138 -5.507 -3.336
47 HA ARG 8 HA ARG 8 7.154 -2.845 -2.357
48 1HB ARG 8 2HB ARG 8 4.650 -3.429 -3.987
49 2HB ARG 8 3HB ARG 8 5.170 -1.865 -3.388
50 1HG ARG 8 2HG ARG 8 7.288 -2.122 -4.786
51 2HG ARG 8 3HG ARG 8 6.546 -3.566 -5.496
52 1HD ARG 8 2HD ARG 8 6.165 -1.688 -6.964
53 2HD ARG 8 3HD ARG 8 4.611 -2.180 -6.252
54 HE ARG 8 HE ARG 8 5.659 -0.192 -4.547
55 1HH1 ARG 8 2HH1 ARG 8 4.635 -0.163 -7.906
56 2HH1 ARG 8 1HH1 ARG 8 4.233 1.529 -7.830
57 1HH2 ARG 8 1HH2 ARG 8 5.073 1.785 -4.465
58 2HH2 ARG 8 2HH2 ARG 8 4.503 2.656 -5.886
59 H CYS 9 H CYS 9 4.683 -5.299 -1.744
60 HA CYS 9 HA CYS 9 2.779 -4.098 -0.410
61 1HB CYS 9 2HB CYS 9 3.879 -6.787 0.410
62 2HB CYS 9 3HB CYS 9 2.213 -6.218 0.509
63 H THR 10 H THR 10 5.567 -3.346 1.011
64 HA THR 10 HA THR 10 4.228 -2.606 3.509
65 HB THR 10 HB THR 10 6.187 -3.274 4.930
66 HG1 THR 10 1HG THR 10 6.828 -4.944 2.723
67 1HG2 THR 10 1HG2 THR 10 5.603 -5.576 5.254
68 2HG2 THR 10 2HG2 THR 10 4.129 -4.655 4.909
69 3HG2 THR 10 3HG2 THR 10 4.850 -5.684 3.650
70 H GLU 11 H GLU 11 5.409 -1.391 0.952
71 HA GLU 11 HA GLU 11 7.812 -0.030 1.499
72 1HB GLU 11 2HB GLU 11 7.243 1.371 -0.400
73 2HB GLU 11 3HB GLU 11 7.011 -0.339 -0.750
74 1HG GLU 11 2HG GLU 11 4.552 -0.051 -0.604
75 2HG GLU 11 3HG GLU 11 4.771 1.610 -0.033
76 H GLY 12 H GLY 12 4.792 0.732 2.844
77 1HA GLY 12 2HA GLY 12 4.503 2.409 4.526
78 2HA GLY 12 3HA GLY 12 5.694 3.439 3.739
79 H PHE 13 H PHE 13 3.350 4.498 4.530
80 HA PHE 13 HA PHE 13 1.595 4.751 2.127
81 1HB PHE 13 2HB PHE 13 0.289 4.049 3.895
82 2HB PHE 13 3HB PHE 13 1.178 5.010 5.093
83 HD1 PHE 13 1HD PHE 13 -1.323 5.156 2.327
84 HD2 PHE 13 2HD PHE 13 0.581 7.295 5.560
85 HE1 PHE 13 1HE PHE 13 -3.021 6.953 2.154
86 HE2 PHE 13 2HE PHE 13 -1.093 9.113 5.348
87 HZ PHE 13 HZ PHE 13 -2.886 8.947 3.642
88 H ASN 14 H ASN 14 1.288 6.543 1.130
89 HA ASN 14 HA ASN 14 1.543 9.177 2.181
90 1HB ASN 14 2HB ASN 14 3.959 8.925 1.774
91 2HB ASN 14 3HB ASN 14 3.657 8.333 0.135
92 1HD2 ASN 14 2HD2 ASN 14 5.258 10.201 -0.231
93 2HD2 ASN 14 1HD2 ASN 14 4.514 11.776 -0.509
94 H VAL 15 H VAL 15 -0.510 9.469 1.468
95 HA VAL 15 HA VAL 15 -1.701 8.147 -0.642
96 HB VAL 15 HB VAL 15 -2.732 9.087 1.345
97 1HG1 VAL 15 1HG1 VAL 15 -3.011 11.690 -0.129
98 2HG1 VAL 15 2HG1 VAL 15 -3.711 11.227 1.449
99 3HG1 VAL 15 3HG1 VAL 15 -1.959 11.380 1.282
100 1HG2 VAL 15 1HG2 VAL 15 -4.915 9.273 0.459
101 2HG2 VAL 15 2HG2 VAL 15 -4.288 9.626 -1.168
102 3HG2 VAL 15 3HG2 VAL 15 -4.004 8.033 -0.413
103 H ASP 16 H ASP 16 0.357 10.796 -1.158
104 HA ASP 16 HA ASP 16 -0.736 11.608 -3.751
105 1HB ASP 16 2HB ASP 16 1.910 12.049 -2.342
106 2HB ASP 16 3HB ASP 16 1.586 12.636 -3.977
107 H LYS 17 H LYS 17 1.170 8.860 -2.734
108 HA LYS 17 HA LYS 17 2.596 8.395 -5.214
109 1HB LYS 17 2HB LYS 17 1.810 6.471 -2.985
110 2HB LYS 17 3HB LYS 17 2.876 6.055 -4.333
111 1HG LYS 17 2HG LYS 17 4.464 7.811 -3.638
112 2HG LYS 17 3HG LYS 17 3.442 8.195 -2.245
113 1HD LYS 17 2HD LYS 17 4.840 5.524 -2.788
114 2HD LYS 17 3HD LYS 17 5.334 6.768 -1.638
115 1HE LYS 17 2HE LYS 17 4.283 5.468 -0.147
116 2HE LYS 17 3HE LYS 17 2.855 6.380 -0.672
117 1HZ LYS 17 1HZ LYS 17 2.580 3.921 -0.593
118 2HZ LYS 17 2HZ LYS 17 2.269 4.492 -2.107
119 3HZ LYS 17 3HZ LYS 17 3.678 3.729 -1.780
120 H LYS 18 H LYS 18 2.314 6.730 -6.724
121 HA LYS 18 HA LYS 18 -0.268 6.598 -7.956
122 1HB LYS 18 2HB LYS 18 2.427 5.355 -8.483
123 2HB LYS 18 3HB LYS 18 1.014 4.718 -9.328
124 1HG LYS 18 2HG LYS 18 2.066 6.344 -10.726
125 2HG LYS 18 3HG LYS 18 0.496 6.975 -10.197
126 1HD LYS 18 2HD LYS 18 1.661 8.338 -8.463
127 2HD LYS 18 3HD LYS 18 3.224 7.761 -9.050
128 1HE LYS 18 2HE LYS 18 1.175 9.304 -10.714
129 2HE LYS 18 3HE LYS 18 2.530 10.048 -9.864
130 1HZ LYS 18 1HZ LYS 18 2.794 8.050 -12.046
131 2HZ LYS 18 2HZ LYS 18 3.095 9.645 -12.172
132 3HZ LYS 18 3HZ LYS 18 4.048 8.716 -11.231
133 H CYS 19 H CYS 19 1.159 4.460 -5.618
134 HA CYS 19 HA CYS 19 -1.463 3.181 -5.359
135 1HB CYS 19 2HB CYS 19 -0.817 0.971 -5.291
136 2HB CYS 19 3HB CYS 19 0.021 1.566 -6.720
137 H GLN 20 H GLN 20 -1.813 2.317 -3.302
138 HA GLN 20 HA GLN 20 0.115 3.102 -1.147
139 1HB GLN 20 2HB GLN 20 -2.899 2.756 -0.984
140 2HB GLN 20 3HB GLN 20 -1.813 3.205 0.348
141 1HG GLN 20 2HG GLN 20 -2.580 4.840 -2.086
142 2HG GLN 20 3HG GLN 20 -2.862 5.214 -0.382
143 1HE2 GLN 20 2HE2 GLN 20 -1.170 6.445 -2.856
144 2HE2 GLN 20 1HE2 GLN 20 0.210 6.995 -1.901
145 H CYS 21 H CYS 21 0.953 1.043 -2.343
146 HA CYS 21 HA CYS 21 -0.204 -1.540 -1.716
147 1HB CYS 21 2HB CYS 21 2.614 -0.744 -2.607
148 2HB CYS 21 3HB CYS 21 1.901 -2.352 -2.652
149 H ASP 22 H ASP 22 -0.308 -0.450 0.651
150 HA ASP 22 HA ASP 22 1.709 -1.669 2.425
151 1HB ASP 22 2HB ASP 22 2.641 0.527 1.720
152 2HB ASP 22 3HB ASP 22 1.161 1.329 2.266
153 H GLU 23 H GLU 23 1.136 -1.145 4.732
154 HA GLU 23 HA GLU 23 -1.143 -2.490 5.421
155 1HB GLU 23 2HB GLU 23 0.403 -0.559 7.187
156 2HB GLU 23 3HB GLU 23 -0.533 -1.960 7.712
157 1HG GLU 23 2HG GLU 23 1.061 -3.442 6.450
158 2HG GLU 23 3HG GLU 23 2.050 -2.023 6.086
159 H LEU 24 H LEU 24 -1.409 0.828 4.592
160 HA LEU 24 HA LEU 24 -3.757 1.257 6.417
161 1HB LEU 24 2HB LEU 24 -1.734 3.211 5.266
162 2HB LEU 24 3HB LEU 24 -3.155 3.675 6.195
163 HG LEU 24 HG LEU 24 -0.851 1.988 7.265
164 1HD1 LEU 24 1HD1 LEU 24 -1.668 4.872 7.819
165 2HD1 LEU 24 2HD1 LEU 24 -0.337 3.986 8.600
166 3HD1 LEU 24 3HD1 LEU 24 -0.259 4.350 6.871
167 1HD2 LEU 24 1HD2 LEU 24 -1.933 2.421 9.483
168 2HD2 LEU 24 2HD2 LEU 24 -3.337 3.113 8.637
169 3HD2 LEU 24 3HD2 LEU 24 -2.919 1.396 8.438
170 H CYS 25 H CYS 25 -3.227 0.635 3.137
171 HA CYS 25 HA CYS 25 -4.667 2.819 2.019
172 1HB CYS 25 2HB CYS 25 -4.616 1.661 -0.005
173 2HB CYS 25 3HB CYS 25 -3.121 1.312 0.874
174 H SER 26 H SER 26 -6.033 -0.167 3.378
175 HA SER 26 HA SER 26 -8.516 -0.142 1.974
176 1HB SER 26 2HB SER 26 -9.324 -1.560 3.810
177 2HB SER 26 3HB SER 26 -7.740 -2.078 3.211
178 HG SER 26 HG SER 26 -7.836 -2.018 5.522
179 H TYR 27 H TYR 27 -7.432 1.684 4.745
180 HA TYR 27 HA TYR 27 -9.940 2.915 5.477
181 1HB TYR 27 2HB TYR 27 -8.348 2.723 7.144
182 2HB TYR 27 3HB TYR 27 -7.026 3.200 6.114
183 HD1 TYR 27 1HD TYR 27 -10.176 4.733 7.539
184 HD2 TYR 27 2HD TYR 27 -6.017 5.199 6.490
185 HE1 TYR 27 1HE TYR 27 -10.195 7.054 8.465
186 HE2 TYR 27 2HE TYR 27 -6.038 7.512 7.391
187 HH TYR 27 HH TYR 27 -7.290 9.153 8.408
188 H TYR 28 H TYR 28 -7.768 3.536 2.823
189 HA TYR 28 HA TYR 28 -9.035 6.210 2.311
190 1HB TYR 28 2HB TYR 28 -6.326 5.070 1.561
191 2HB TYR 28 3HB TYR 28 -6.999 6.528 0.833
192 HD1 TYR 28 1HD TYR 28 -5.161 5.243 3.661
193 HD2 TYR 28 2HD TYR 28 -7.619 8.507 2.273
194 HE1 TYR 28 1HE TYR 28 -4.198 6.724 5.416
195 HE2 TYR 28 2HE TYR 28 -6.667 9.981 4.039
196 HH TYR 28 HH TYR 28 -5.188 10.157 5.774
197 H GLN 29 H GLN 29 -8.814 3.003 1.038
198 HA GLN 29 HA GLN 29 -9.451 1.987 -0.845
199 1HB GLN 29 2HB GLN 29 -11.414 4.256 -1.308
200 2HB GLN 29 3HB GLN 29 -11.475 2.618 -1.941
201 1HG GLN 29 2HG GLN 29 -13.005 2.488 -0.227
202 2HG GLN 29 3HG GLN 29 -11.555 1.831 0.536
203 1HE2 GLN 29 2HE2 GLN 29 -11.351 2.612 2.659
204 2HE2 GLN 29 1HE2 GLN 29 -11.851 4.236 3.147
205 H SER 30 H SER 30 -7.200 3.797 -1.050
206 HA SER 30 HA SER 30 -7.153 4.604 -3.919
207 1HB SER 30 2HB SER 30 -5.212 6.000 -3.137
208 2HB SER 30 3HB SER 30 -6.763 6.394 -2.362
209 HG SER 30 HG SER 30 -5.126 6.236 -0.808
210 H CYS 31 H CYS 31 -6.687 1.842 -2.745
211 HA CYS 31 HA CYS 31 -3.845 1.310 -2.861
212 1HB CYS 31 2HB CYS 31 -5.985 0.278 -1.505
213 2HB CYS 31 3HB CYS 31 -5.836 -0.916 -2.801
214 H CYS 32 H CYS 32 -3.275 -0.953 -3.925
215 HA CYS 32 HA CYS 32 -3.353 -0.842 -6.811
216 1HB CYS 32 2HB CYS 32 -2.507 -3.201 -6.597
217 2HB CYS 32 3HB CYS 32 -1.543 -2.049 -5.667
218 H THR 33 H THR 33 -4.416 -2.501 -8.192
219 HA THR 33 HA THR 33 -7.156 -2.429 -7.997
220 HB THR 33 HB THR 33 -5.698 -4.611 -9.514
221 HG1 THR 33 1HG THR 33 -5.319 -3.052 -11.093
222 1HG2 THR 33 1HG2 THR 33 -8.121 -2.871 -10.192
223 2HG2 THR 33 2HG2 THR 33 -7.373 -4.065 -11.278
224 3HG2 THR 33 3HG2 THR 33 -8.157 -4.603 -9.792
225 H ASP 34 H ASP 34 -5.135 -4.961 -6.593
226 HA ASP 34 HA ASP 34 -7.566 -6.436 -5.654
227 1HB ASP 34 2HB ASP 34 -5.150 -7.578 -7.110
228 2HB ASP 34 3HB ASP 34 -6.376 -8.559 -6.292
229 H TYR 35 H TYR 35 -5.771 -4.656 -4.106
230 HA TYR 35 HA TYR 35 -3.803 -5.611 -2.635
231 1HB TYR 35 2HB TYR 35 -4.763 -3.427 -2.219
232 2HB TYR 35 3HB TYR 35 -6.202 -4.155 -1.522
233 HD1 TYR 35 1HD TYR 35 -2.561 -3.403 -0.896
234 HD2 TYR 35 2HD TYR 35 -6.282 -4.892 0.748
235 HE1 TYR 35 1HE TYR 35 -1.646 -3.215 1.397
236 HE2 TYR 35 2HE TYR 35 -5.355 -4.662 3.036
237 HH TYR 35 HH TYR 35 -3.599 -3.976 4.307
238 H THR 36 H THR 36 -7.128 -6.552 -1.579
239 HA THR 36 HA THR 36 -6.203 -8.122 0.621
240 HB THR 36 HB THR 36 -8.556 -9.080 0.529
241 HG1 THR 36 1HG THR 36 -9.972 -8.011 -0.861
242 1HG2 THR 36 1HG2 THR 36 -7.878 -7.061 1.871
243 2HG2 THR 36 2HG2 THR 36 -8.341 -6.035 0.496
244 3HG2 THR 36 3HG2 THR 36 -9.566 -7.017 1.330
245 H ALA 37 H ALA 37 -6.021 -8.951 -2.652
246 HA ALA 37 HA ALA 37 -5.654 -11.850 -1.962
247 1HB ALA 37 1HB ALA 37 -6.552 -10.592 -4.584
248 2HB ALA 37 2HB ALA 37 -6.309 -12.326 -4.280
249 3HB ALA 37 3HB ALA 37 -7.591 -11.448 -3.422
250 H GLU 38 H GLU 38 -4.276 -9.074 -3.719
251 HA GLU 38 HA GLU 38 -1.874 -10.711 -4.455
252 1HB GLU 38 2HB GLU 38 -3.063 -8.242 -5.762
253 2HB GLU 38 3HB GLU 38 -1.649 -9.128 -6.332
254 1HG GLU 38 2HG GLU 38 -4.504 -10.189 -6.212
255 2HG GLU 38 3HG GLU 38 -3.638 -9.670 -7.650
256 H CYS 39 H CYS 39 -2.725 -7.868 -2.567
257 HA CYS 39 HA CYS 39 0.157 -7.101 -2.501
258 1HB CYS 39 2HB CYS 39 -1.963 -5.106 -2.002
259 2HB CYS 39 3HB CYS 39 -0.376 -4.804 -2.560
260 H LYS 40 H LYS 40 -2.189 -8.436 -0.652
261 HA LYS 40 HA LYS 40 -2.223 -6.910 1.649
262 1HB LYS 40 2HB LYS 40 -3.003 -8.986 2.814
263 2HB LYS 40 3HB LYS 40 -3.941 -8.411 1.446
264 1HG LYS 40 2HG LYS 40 -3.245 -10.182 0.030
265 2HG LYS 40 3HG LYS 40 -1.904 -10.648 1.103
266 1HD LYS 40 2HD LYS 40 -3.423 -11.390 2.820
267 2HD LYS 40 3HD LYS 40 -4.832 -10.796 1.922
268 1HE LYS 40 2HE LYS 40 -4.327 -12.415 0.096
269 2HE LYS 40 3HE LYS 40 -2.931 -13.004 1.015
270 1HZ LYS 40 1HZ LYS 40 -4.848 -14.423 1.415
271 2HZ LYS 40 2HZ LYS 40 -4.496 -13.624 2.810
272 3HZ LYS 40 3HZ LYS 40 -5.767 -13.158 1.886
273 HA PRO 41 HA PRO 41 1.782 -7.697 3.669
274 1HB PRO 41 2HB PRO 41 0.135 -6.751 6.008
275 2HB PRO 41 3HB PRO 41 1.770 -6.231 5.502
276 1HG PRO 41 2HG PRO 41 -0.454 -4.699 5.039
277 2HG PRO 41 3HG PRO 41 0.884 -4.793 3.848
278 1HD PRO 41 2HD PRO 41 -1.798 -6.145 3.720
279 2HD PRO 41 3HD PRO 41 -0.771 -5.478 2.434
280 H GLN 42 H GLN 42 2.464 -9.150 5.477
281 HA GLN 42 HA GLN 42 0.815 -11.542 5.552
282 1HB GLN 42 2HB GLN 42 3.579 -10.997 6.687
283 2HB GLN 42 3HB GLN 42 2.744 -12.567 6.697
284 1HG GLN 42 2HG GLN 42 2.530 -12.375 4.164
285 2HG GLN 42 3HG GLN 42 3.613 -10.984 4.246
286 1HE2 GLN 42 2HE2 GLN 42 5.748 -11.561 3.813
287 2HE2 GLN 42 1HE2 GLN 42 6.448 -13.139 4.191
288 H VAL 43 H VAL 43 -0.691 -9.767 6.784
289 HA VAL 43 HA VAL 43 -0.939 -10.953 9.498
290 HB VAL 43 HB VAL 43 -2.064 -8.916 10.311
291 1HG1 VAL 43 1HG1 VAL 43 0.384 -9.142 10.624
292 2HG1 VAL 43 2HG1 VAL 43 0.651 -8.215 9.130
293 3HG1 VAL 43 3HG1 VAL 43 -0.148 -7.455 10.519
294 1HG2 VAL 43 1HG2 VAL 43 -2.962 -8.051 8.163
295 2HG2 VAL 43 2HG2 VAL 43 -2.031 -6.821 9.027
296 3HG2 VAL 43 3HG2 VAL 43 -1.316 -7.652 7.633
297 H THR 44 H THR 44 -1.881 -11.464 6.781
298 HA THR 44 HA THR 44 -4.601 -12.437 7.365
299 HB THR 44 HB THR 44 -4.228 -10.786 4.839
300 HG1 THR 44 1HG THR 44 -5.180 -9.936 7.359
301 1HG2 THR 44 1HG2 THR 44 -6.185 -12.328 4.878
302 2HG2 THR 44 2HG2 THR 44 -6.713 -11.620 6.416
303 3HG2 THR 44 3HG2 THR 44 -6.700 -10.639 4.933
304 H ARG 45 H ARG 45 -2.285 -13.824 7.220
305 HA ARG 45 HA ARG 45 -2.261 -15.274 4.605
306 1HB ARG 45 2HB ARG 45 -0.507 -13.558 4.636
307 2HB ARG 45 3HB ARG 45 0.142 -14.167 6.152
308 1HG ARG 45 2HG ARG 45 -0.030 -16.008 3.758
309 2HG ARG 45 3HG ARG 45 1.222 -14.762 3.797
310 1HD ARG 45 2HD ARG 45 2.272 -15.657 5.725
311 2HD ARG 45 3HD ARG 45 0.912 -16.694 6.114
312 HE ARG 45 HE ARG 45 1.436 -18.160 4.307
313 1HH1 ARG 45 2HH1 ARG 45 4.062 -15.797 4.770
314 2HH1 ARG 45 1HH1 ARG 45 5.091 -16.748 3.730
315 1HH2 ARG 45 2HH2 ARG 45 2.836 -19.021 2.785
316 2HH2 ARG 45 1HH2 ARG 45 4.436 -18.385 2.696
317 H GLY 46 H GLY 46 -1.654 -17.404 4.678
318 1HA GLY 46 2HA GLY 46 -0.658 -18.888 6.874
319 2HA GLY 46 3HA GLY 46 -2.422 -18.964 6.948
320 H ASP 47 H ASP 47 -2.660 -18.886 3.958
321 HA ASP 47 HA ASP 47 -1.451 -21.464 3.094
322 1HB ASP 47 2HB ASP 47 -3.717 -21.850 4.040
323 2HB ASP 47 3HB ASP 47 -4.387 -20.706 2.876
324 H VAL 48 H VAL 48 -0.214 -19.363 2.337
325 HA VAL 48 HA VAL 48 -0.928 -18.788 -0.502
326 HB VAL 48 HB VAL 48 0.075 -16.669 1.445
327 1HG1 VAL 48 1HG1 VAL 48 -0.964 -16.465 -1.417
328 2HG1 VAL 48 2HG1 VAL 48 -0.556 -15.089 -0.373
329 3HG1 VAL 48 3HG1 VAL 48 0.712 -16.190 -0.885
330 1HG2 VAL 48 1HG2 VAL 48 -2.255 -17.158 2.053
331 2HG2 VAL 48 2HG2 VAL 48 -2.156 -15.602 1.236
332 3HG2 VAL 48 3HG2 VAL 48 -2.746 -17.027 0.350
333 H PHE 49 H PHE 49 0.897 -18.498 -1.844
334 HA PHE 49 HA PHE 49 3.197 -20.027 -1.104
335 1HB PHE 49 2HB PHE 49 2.681 -18.296 -3.554
336 2HB PHE 49 3HB PHE 49 3.917 -19.547 -3.414
337 HD1 PHE 49 1HD PHE 49 3.164 -21.974 -2.943
338 HD2 PHE 49 2HD PHE 49 0.505 -18.882 -4.355
339 HE1 PHE 49 1HE PHE 49 1.580 -23.705 -3.762
340 HE2 PHE 49 2HE PHE 49 -1.076 -20.616 -5.165
341 HZ PHE 49 HZ PHE 49 -0.542 -23.027 -4.871
342 H THR 50 H THR 50 2.718 -16.728 -0.488
343 HA THR 50 HA THR 50 5.257 -15.597 -1.134
344 HB THR 50 HB THR 50 3.127 -14.364 -0.683
345 HG1 THR 50 1HG THR 50 4.846 -13.103 -0.789
346 1HG2 THR 50 1HG2 THR 50 2.523 -13.707 1.553
347 2HG2 THR 50 2HG2 THR 50 2.501 -15.477 1.482
348 3HG2 THR 50 3HG2 THR 50 3.861 -14.631 2.258
349 H MET 51 H MET 51 6.782 -14.628 0.508
350 HA MET 51 HA MET 51 7.294 -16.214 2.951
351 1HB MET 51 2HB MET 51 9.285 -16.046 0.654
352 2HB MET 51 3HB MET 51 9.710 -16.504 2.302
353 1HG MET 51 2HG MET 51 7.745 -17.993 0.528
354 2HG MET 51 3HG MET 51 9.423 -18.449 0.821
355 1HE MET 51 1HE MET 51 7.089 -21.160 2.598
356 2HE MET 51 2HE MET 51 6.631 -20.173 1.191
357 3HE MET 51 3HE MET 51 8.258 -20.888 1.287
Start of MODEL 16
1 1H ASP 1 1H ASP 1 -4.361 1.872 -17.568
2 2H ASP 1 2H ASP 1 -4.723 0.331 -17.147
3 3H ASP 1 3H ASP 1 -5.379 1.577 -16.317
4 HA ASP 1 HA ASP 1 -2.523 0.872 -16.381
5 1HB ASP 1 2HB ASP 1 -2.955 3.325 -16.216
6 2HB ASP 1 3HB ASP 1 -3.923 3.037 -14.757
7 H GLN 2 H GLN 2 -1.708 -0.211 -14.562
8 HA GLN 2 HA GLN 2 -3.527 -1.090 -12.415
9 1HB GLN 2 2HB GLN 2 -3.776 -2.708 -14.360
10 2HB GLN 2 3HB GLN 2 -2.053 -3.083 -14.202
11 1HG GLN 2 2HG GLN 2 -2.485 -3.872 -11.858
12 2HG GLN 2 3HG GLN 2 -4.202 -3.494 -12.082
13 1HE2 GLN 2 2HE2 GLN 2 -3.827 -6.020 -11.276
14 2HE2 GLN 2 1HE2 GLN 2 -3.955 -7.116 -12.653
15 H GLU 3 H GLU 3 -2.381 -1.628 -10.498
16 HA GLU 3 HA GLU 3 0.509 -1.996 -10.596
17 1HB GLU 3 2HB GLU 3 0.331 0.468 -10.583
18 2HB GLU 3 3HB GLU 3 -0.579 0.398 -9.059
19 1HG GLU 3 2HG GLU 3 1.324 -0.483 -7.875
20 2HG GLU 3 3HG GLU 3 2.164 -0.891 -9.370
21 H SER 4 H SER 4 1.095 -3.422 -9.224
22 HA SER 4 HA SER 4 -0.521 -4.159 -6.847
23 1HB SER 4 2HB SER 4 -0.594 -6.451 -7.585
24 2HB SER 4 3HB SER 4 -1.226 -5.426 -8.890
25 HG SER 4 HG SER 4 0.255 -6.934 -9.724
26 H CYS 5 H CYS 5 0.694 -6.232 -5.931
27 HA CYS 5 HA CYS 5 2.669 -5.279 -4.299
28 1HB CYS 5 2HB CYS 5 1.142 -7.164 -3.982
29 2HB CYS 5 3HB CYS 5 1.995 -8.104 -5.188
30 H LYS 6 H LYS 6 3.363 -6.351 -7.527
31 HA LYS 6 HA LYS 6 5.766 -7.737 -6.948
32 1HB LYS 6 2HB LYS 6 5.069 -6.443 -9.604
33 2HB LYS 6 3HB LYS 6 6.093 -7.859 -9.353
34 1HG LYS 6 2HG LYS 6 3.072 -7.751 -8.852
35 2HG LYS 6 3HG LYS 6 3.832 -8.260 -10.346
36 1HD LYS 6 2HD LYS 6 3.081 -10.159 -9.080
37 2HD LYS 6 3HD LYS 6 4.836 -10.206 -9.254
38 1HE LYS 6 2HE LYS 6 5.212 -9.733 -6.982
39 2HE LYS 6 3HE LYS 6 3.604 -9.018 -6.758
40 1HZ LYS 6 1HZ LYS 6 3.869 -11.284 -5.789
41 2HZ LYS 6 2HZ LYS 6 2.605 -11.129 -6.803
42 3HZ LYS 6 3HZ LYS 6 3.977 -11.906 -7.299
43 H GLY 7 H GLY 7 7.286 -6.720 -5.829
44 1HA GLY 7 2HA GLY 7 9.034 -5.323 -5.276
45 2HA GLY 7 3HA GLY 7 8.963 -4.595 -6.892
46 H ARG 8 H ARG 8 6.229 -4.723 -4.611
47 HA ARG 8 HA ARG 8 6.357 -1.756 -4.182
48 1HB ARG 8 2HB ARG 8 4.974 -2.902 -6.281
49 2HB ARG 8 3HB ARG 8 3.754 -2.953 -5.020
50 1HG ARG 8 2HG ARG 8 3.459 -1.045 -6.403
51 2HG ARG 8 3HG ARG 8 3.862 -0.534 -4.764
52 1HD ARG 8 2HD ARG 8 6.130 -0.835 -6.717
53 2HD ARG 8 3HD ARG 8 4.981 0.492 -6.992
54 HE ARG 8 HE ARG 8 5.519 0.717 -4.318
55 1HH1 ARG 8 1HH2 ARG 8 7.590 0.747 -7.157
56 2HH1 ARG 8 2HH2 ARG 8 8.711 1.882 -6.452
57 1HH2 ARG 8 1HH1 ARG 8 6.983 2.170 -3.480
58 2HH2 ARG 8 2HH1 ARG 8 8.386 2.648 -4.412
59 H CYS 9 H CYS 9 4.862 -4.809 -3.136
60 HA CYS 9 HA CYS 9 2.992 -3.586 -1.351
61 1HB CYS 9 2HB CYS 9 2.811 -6.003 -0.462
62 2HB CYS 9 3HB CYS 9 2.366 -5.603 -2.125
63 H THR 10 H THR 10 2.713 -3.659 0.780
64 HA THR 10 HA THR 10 3.115 -2.956 2.840
65 HB THR 10 HB THR 10 5.404 -4.890 3.185
66 HG1 THR 10 1HG THR 10 4.040 -6.571 3.190
67 1HG2 THR 10 1HG2 THR 10 4.198 -5.379 5.304
68 2HG2 THR 10 2HG2 THR 10 4.542 -3.651 5.187
69 3HG2 THR 10 3HG2 THR 10 2.907 -4.249 4.843
70 H GLU 11 H GLU 11 4.541 -1.477 0.784
71 HA GLU 11 HA GLU 11 7.212 -0.877 1.675
72 1HB GLU 11 2HB GLU 11 7.161 0.874 0.006
73 2HB GLU 11 3HB GLU 11 6.593 -0.655 -0.644
74 1HG GLU 11 2HG GLU 11 4.238 0.144 -0.513
75 2HG GLU 11 3HG GLU 11 4.786 1.648 0.241
76 H GLY 12 H GLY 12 4.192 0.413 2.720
77 1HA GLY 12 2HA GLY 12 4.013 1.777 4.698
78 2HA GLY 12 3HA GLY 12 5.532 2.583 4.304
79 H PHE 13 H PHE 13 2.851 3.637 4.880
80 HA PHE 13 HA PHE 13 1.434 4.402 2.541
81 1HB PHE 13 2HB PHE 13 0.266 4.228 4.573
82 2HB PHE 13 3HB PHE 13 1.425 5.250 5.446
83 HD1 PHE 13 1HD PHE 13 -1.240 5.282 2.807
84 HD2 PHE 13 2HD PHE 13 1.071 7.600 5.622
85 HE1 PHE 13 1HE PHE 13 -2.737 7.219 2.452
86 HE2 PHE 13 2HE PHE 13 -0.424 9.543 5.256
87 HZ PHE 13 HZ PHE 13 -2.333 9.355 3.684
88 H ASN 14 H ASN 14 1.297 6.100 1.349
89 HA ASN 14 HA ASN 14 2.014 8.758 2.009
90 1HB ASN 14 2HB ASN 14 4.331 8.098 1.480
91 2HB ASN 14 3HB ASN 14 3.790 7.414 -0.063
92 1HD2 ASN 14 2HD2 ASN 14 5.766 9.126 -0.396
93 2HD2 ASN 14 1HD2 ASN 14 5.159 10.682 -0.953
94 H VAL 15 H VAL 15 -0.011 9.318 1.384
95 HA VAL 15 HA VAL 15 -1.473 8.021 -0.616
96 HB VAL 15 HB VAL 15 -2.248 9.249 1.402
97 1HG1 VAL 15 1HG1 VAL 15 -3.002 11.489 1.277
98 2HG1 VAL 15 2HG1 VAL 15 -1.255 11.423 1.008
99 3HG1 VAL 15 3HG1 VAL 15 -2.358 11.673 -0.377
100 1HG2 VAL 15 1HG2 VAL 15 -3.727 8.118 -0.085
101 2HG2 VAL 15 2HG2 VAL 15 -4.460 9.583 0.577
102 3HG2 VAL 15 3HG2 VAL 15 -3.874 9.579 -1.104
103 H ASP 16 H ASP 16 0.924 10.331 -1.243
104 HA ASP 16 HA ASP 16 -0.090 11.298 -3.803
105 1HB ASP 16 2HB ASP 16 1.610 12.466 -2.388
106 2HB ASP 16 3HB ASP 16 2.742 11.147 -2.731
107 H LYS 17 H LYS 17 1.390 8.299 -2.758
108 HA LYS 17 HA LYS 17 2.603 7.517 -5.277
109 1HB LYS 17 2HB LYS 17 1.682 5.874 -2.874
110 2HB LYS 17 3HB LYS 17 2.566 5.212 -4.255
111 1HG LYS 17 2HG LYS 17 4.496 6.633 -3.794
112 2HG LYS 17 3HG LYS 17 3.640 7.415 -2.445
113 1HD LYS 17 2HD LYS 17 3.465 5.231 -1.281
114 2HD LYS 17 3HD LYS 17 4.315 4.442 -2.630
115 1HE LYS 17 2HE LYS 17 6.320 5.784 -2.217
116 2HE LYS 17 3HE LYS 17 5.496 6.688 -0.935
117 1HZ LYS 17 1HZ LYS 17 6.123 3.792 -0.916
118 2HZ LYS 17 2HZ LYS 17 6.845 4.926 0.017
119 3HZ LYS 17 3HZ LYS 17 5.271 4.535 0.280
120 H LYS 18 H LYS 18 1.921 6.028 -6.787
121 HA LYS 18 HA LYS 18 -0.831 6.307 -7.616
122 1HB LYS 18 2HB LYS 18 1.642 5.023 -8.746
123 2HB LYS 18 3HB LYS 18 0.070 4.595 -9.435
124 1HG LYS 18 2HG LYS 18 1.022 6.390 -10.720
125 2HG LYS 18 3HG LYS 18 -0.404 6.989 -9.855
126 1HD LYS 18 2HD LYS 18 1.112 8.004 -8.136
127 2HD LYS 18 3HD LYS 18 2.514 7.443 -9.070
128 1HE LYS 18 2HE LYS 18 1.790 8.811 -10.994
129 2HE LYS 18 3HE LYS 18 0.334 9.305 -10.118
130 1HZ LYS 18 1HZ LYS 18 2.055 10.999 -9.947
131 2HZ LYS 18 2HZ LYS 18 1.777 10.379 -8.463
132 3HZ LYS 18 3HZ LYS 18 3.117 9.949 -9.295
133 H CYS 19 H CYS 19 0.580 3.998 -5.582
134 HA CYS 19 HA CYS 19 -2.072 2.737 -5.299
135 1HB CYS 19 2HB CYS 19 -1.226 0.537 -5.034
136 2HB CYS 19 3HB CYS 19 -0.689 1.088 -6.620
137 H GLN 20 H GLN 20 -2.596 2.410 -3.180
138 HA GLN 20 HA GLN 20 -0.511 2.952 -1.103
139 1HB GLN 20 2HB GLN 20 -3.500 2.573 -0.839
140 2HB GLN 20 3HB GLN 20 -2.371 2.920 0.485
141 1HG GLN 20 2HG GLN 20 -3.155 4.739 -1.807
142 2HG GLN 20 3HG GLN 20 -3.355 5.013 -0.071
143 1HE2 GLN 20 1HE2 GLN 20 -1.456 5.851 -2.774
144 2HE2 GLN 20 2HE2 GLN 20 -0.072 6.443 -1.860
145 H CYS 21 H CYS 21 0.560 1.144 -2.048
146 HA CYS 21 HA CYS 21 -0.411 -1.592 -1.692
147 1HB CYS 21 2HB CYS 21 2.288 -0.360 -2.440
148 2HB CYS 21 3HB CYS 21 1.959 -2.085 -2.363
149 H ASP 22 H ASP 22 -0.807 -0.437 0.730
150 HA ASP 22 HA ASP 22 1.196 -1.561 2.592
151 1HB ASP 22 2HB ASP 22 1.632 0.600 3.646
152 2HB ASP 22 3HB ASP 22 2.065 0.674 1.938
153 H GLU 23 H GLU 23 0.587 -0.718 4.916
154 HA GLU 23 HA GLU 23 -1.744 -2.111 5.648
155 1HB GLU 23 2HB GLU 23 -0.097 -0.168 7.311
156 2HB GLU 23 3HB GLU 23 -1.136 -1.464 7.914
157 1HG GLU 23 2HG GLU 23 0.346 -3.125 6.729
158 2HG GLU 23 3HG GLU 23 1.444 -1.804 6.316
159 H LEU 24 H LEU 24 -1.673 1.255 4.735
160 HA LEU 24 HA LEU 24 -4.070 1.876 6.450
161 1HB LEU 24 2HB LEU 24 -1.986 3.713 5.239
162 2HB LEU 24 3HB LEU 24 -3.378 4.220 6.187
163 HG LEU 24 HG LEU 24 -1.033 2.566 7.206
164 1HD1 LEU 24 1HD1 LEU 24 -0.584 4.539 8.587
165 2HD1 LEU 24 2HD1 LEU 24 -0.598 4.989 6.877
166 3HD1 LEU 24 3HD1 LEU 24 -1.994 5.376 7.898
167 1HD2 LEU 24 1HD2 LEU 24 -3.038 1.833 8.403
168 2HD2 LEU 24 2HD2 LEU 24 -2.090 2.881 9.456
169 3HD2 LEU 24 3HD2 LEU 24 -3.546 3.518 8.654
170 H CYS 25 H CYS 25 -3.561 0.971 3.294
171 HA CYS 25 HA CYS 25 -4.830 2.947 1.810
172 1HB CYS 25 2HB CYS 25 -5.089 1.431 0.129
173 2HB CYS 25 3HB CYS 25 -3.667 0.858 1.012
174 H SER 26 H SER 26 -6.545 0.397 3.649
175 HA SER 26 HA SER 26 -9.115 0.809 2.529
176 1HB SER 26 2HB SER 26 -8.340 -0.273 5.255
177 2HB SER 26 3HB SER 26 -9.922 -0.486 4.471
178 HG SER 26 HG SER 26 -8.541 -2.287 4.131
179 H TYR 27 H TYR 27 -7.471 2.940 4.558
180 HA TYR 27 HA TYR 27 -9.896 4.264 5.643
181 1HB TYR 27 2HB TYR 27 -8.209 3.992 7.223
182 2HB TYR 27 3HB TYR 27 -6.931 4.343 6.094
183 HD1 TYR 27 1HD TYR 27 -9.922 6.274 7.415
184 HD2 TYR 27 2HD TYR 27 -5.681 6.130 6.634
185 HE1 TYR 27 1HE TYR 27 -9.662 8.583 8.329
186 HE2 TYR 27 2HE TYR 27 -5.420 8.415 7.524
187 HH TYR 27 HH TYR 27 -6.484 10.238 8.458
188 H TYR 28 H TYR 28 -7.870 4.437 2.843
189 HA TYR 28 HA TYR 28 -8.999 7.123 2.101
190 1HB TYR 28 2HB TYR 28 -6.389 5.786 1.332
191 2HB TYR 28 3HB TYR 28 -7.012 7.265 0.591
192 HD1 TYR 28 1HD TYR 28 -5.239 5.878 3.448
193 HD2 TYR 28 2HD TYR 28 -7.295 9.350 1.918
194 HE1 TYR 28 1HE TYR 28 -4.103 7.298 5.136
195 HE2 TYR 28 2HE TYR 28 -6.169 10.771 3.617
196 HH TYR 28 HH TYR 28 -4.705 10.838 5.375
197 H GLN 29 H GLN 29 -8.914 3.801 1.182
198 HA GLN 29 HA GLN 29 -9.772 2.576 -0.450
199 1HB GLN 29 2HB GLN 29 -11.227 4.875 -1.740
200 2HB GLN 29 3HB GLN 29 -11.634 3.167 -1.700
201 1HG GLN 29 2HG GLN 29 -11.971 5.245 0.467
202 2HG GLN 29 3HG GLN 29 -13.206 4.238 -0.288
203 1HE2 GLN 29 2HE2 GLN 29 -12.069 4.676 2.631
204 2HE2 GLN 29 1HE2 GLN 29 -11.772 3.024 3.185
205 H SER 30 H SER 30 -7.443 4.724 -1.008
206 HA SER 30 HA SER 30 -7.072 4.524 -3.890
207 1HB SER 30 2HB SER 30 -4.876 5.736 -3.151
208 2HB SER 30 3HB SER 30 -6.435 6.557 -2.941
209 HG SER 30 HG SER 30 -5.206 6.737 -1.079
210 H CYS 31 H CYS 31 -7.066 2.000 -2.225
211 HA CYS 31 HA CYS 31 -4.486 0.946 -1.856
212 1HB CYS 31 2HB CYS 31 -6.982 0.213 -1.146
213 2HB CYS 31 3HB CYS 31 -6.774 -0.849 -2.557
214 H CYS 32 H CYS 32 -3.442 -0.889 -2.904
215 HA CYS 32 HA CYS 32 -3.015 -0.609 -5.723
216 1HB CYS 32 2HB CYS 32 -1.429 -2.184 -5.477
217 2HB CYS 32 3HB CYS 32 -1.617 -1.799 -3.761
218 H THR 33 H THR 33 -3.511 -2.200 -7.440
219 HA THR 33 HA THR 33 -6.361 -2.420 -7.593
220 HB THR 33 HB THR 33 -5.868 -3.502 -9.833
221 HG1 THR 33 1HG THR 33 -3.885 -4.426 -9.432
222 1HG2 THR 33 1HG2 THR 33 -6.092 -1.022 -9.485
223 2HG2 THR 33 2HG2 THR 33 -4.327 -0.927 -9.287
224 3HG2 THR 33 3HG2 THR 33 -5.036 -1.472 -10.827
225 H ASP 34 H ASP 34 -4.153 -4.701 -6.381
226 HA ASP 34 HA ASP 34 -6.125 -6.952 -6.576
227 1HB ASP 34 2HB ASP 34 -3.121 -6.972 -7.106
228 2HB ASP 34 3HB ASP 34 -4.157 -8.406 -7.069
229 H TYR 35 H TYR 35 -5.103 -5.015 -4.368
230 HA TYR 35 HA TYR 35 -3.380 -5.829 -2.573
231 1HB TYR 35 2HB TYR 35 -4.766 -3.789 -2.414
232 2HB TYR 35 3HB TYR 35 -6.114 -4.771 -1.832
233 HD1 TYR 35 1HD TYR 35 -2.808 -3.329 -1.072
234 HD2 TYR 35 2HD TYR 35 -6.144 -5.584 0.491
235 HE1 TYR 35 1HE TYR 35 -2.083 -2.800 1.229
236 HE2 TYR 35 2HE TYR 35 -5.423 -5.018 2.811
237 HH TYR 35 HH TYR 35 -2.740 -2.731 3.388
238 H THR 36 H THR 36 -6.739 -7.046 -1.974
239 HA THR 36 HA THR 36 -5.780 -8.644 0.163
240 HB THR 36 HB THR 36 -8.388 -9.463 -1.010
241 HG1 THR 36 1HG THR 36 -9.375 -7.552 -0.376
242 1HG2 THR 36 1HG2 THR 36 -7.623 -10.123 1.289
243 2HG2 THR 36 2HG2 THR 36 -7.514 -8.408 1.733
244 3HG2 THR 36 3HG2 THR 36 -9.093 -9.135 1.346
245 H ALA 37 H ALA 37 -5.291 -9.336 -3.043
246 HA ALA 37 HA ALA 37 -4.907 -12.252 -2.467
247 1HB ALA 37 1HB ALA 37 -5.528 -10.895 -5.121
248 2HB ALA 37 2HB ALA 37 -5.246 -12.631 -4.869
249 3HB ALA 37 3HB ALA 37 -6.667 -11.852 -4.146
250 H GLU 38 H GLU 38 -3.410 -9.267 -3.588
251 HA GLU 38 HA GLU 38 -0.792 -10.699 -3.943
252 1HB GLU 38 2HB GLU 38 -1.959 -8.262 -5.321
253 2HB GLU 38 3HB GLU 38 -0.235 -8.609 -5.333
254 1HG GLU 38 2HG GLU 38 -2.377 -10.449 -6.432
255 2HG GLU 38 3HG GLU 38 -1.370 -9.364 -7.379
256 H CYS 39 H CYS 39 -1.979 -7.371 -2.928
257 HA CYS 39 HA CYS 39 0.733 -6.925 -1.921
258 1HB CYS 39 2HB CYS 39 -1.467 -4.892 -1.744
259 2HB CYS 39 3HB CYS 39 0.287 -4.663 -1.882
260 H LYS 40 H LYS 40 -2.001 -8.173 -0.548
261 HA LYS 40 HA LYS 40 -2.516 -7.261 1.880
262 1HB LYS 40 2HB LYS 40 -3.495 -9.254 0.917
263 2HB LYS 40 3HB LYS 40 -1.995 -10.148 1.132
264 1HG LYS 40 2HG LYS 40 -3.596 -10.807 2.802
265 2HG LYS 40 3HG LYS 40 -2.237 -9.999 3.592
266 1HD LYS 40 2HD LYS 40 -3.609 -7.905 3.745
267 2HD LYS 40 3HD LYS 40 -4.974 -8.756 3.016
268 1HE LYS 40 2HE LYS 40 -3.567 -9.539 5.616
269 2HE LYS 40 3HE LYS 40 -5.030 -8.555 5.530
270 1HZ LYS 40 1HZ LYS 40 -5.595 -10.859 5.944
271 2HZ LYS 40 2HZ LYS 40 -6.166 -10.445 4.477
272 3HZ LYS 40 3HZ LYS 40 -4.823 -11.372 4.604
273 HA PRO 41 HA PRO 41 1.492 -6.846 4.058
274 1HB PRO 41 2HB PRO 41 -0.636 -6.293 6.143
275 2HB PRO 41 3HB PRO 41 0.961 -5.502 5.937
276 1HG PRO 41 2HG PRO 41 -1.301 -4.337 4.993
277 2HG PRO 41 3HG PRO 41 0.206 -4.312 4.017
278 1HD PRO 41 2HD PRO 41 -2.250 -6.012 3.607
279 2HD PRO 41 3HD PRO 41 -1.111 -5.337 2.434
280 H GLN 42 H GLN 42 2.592 -8.048 5.596
281 HA GLN 42 HA GLN 42 1.864 -10.761 6.040
282 1HB GLN 42 2HB GLN 42 4.150 -9.808 5.876
283 2HB GLN 42 3HB GLN 42 3.942 -9.039 7.462
284 1HG GLN 42 2HG GLN 42 3.758 -11.231 8.534
285 2HG GLN 42 3HG GLN 42 3.803 -12.053 6.970
286 1HE2 GLN 42 2HE2 GLN 42 5.695 -11.935 9.489
287 2HE2 GLN 42 1HE2 GLN 42 7.275 -11.713 8.715
288 H VAL 43 H VAL 43 1.095 -11.859 7.814
289 HA VAL 43 HA VAL 43 -0.045 -10.316 10.103
290 HB VAL 43 HB VAL 43 -2.066 -11.790 9.944
291 1HG1 VAL 43 1HG1 VAL 43 -2.077 -9.401 9.363
292 2HG1 VAL 43 2HG1 VAL 43 -1.644 -9.798 7.689
293 3HG1 VAL 43 3HG1 VAL 43 -3.200 -10.330 8.358
294 1HG2 VAL 43 1HG2 VAL 43 -1.213 -13.458 8.271
295 2HG2 VAL 43 2HG2 VAL 43 -2.732 -12.690 7.779
296 3HG2 VAL 43 3HG2 VAL 43 -1.212 -12.176 7.035
297 H THR 44 H THR 44 2.287 -11.465 10.423
298 HA THR 44 HA THR 44 2.336 -14.028 11.672
299 HB THR 44 HB THR 44 3.943 -11.521 12.332
300 HG1 THR 44 1HG THR 44 4.401 -13.620 10.476
301 1HG2 THR 44 1HG2 THR 44 4.525 -14.483 12.735
302 2HG2 THR 44 2HG2 THR 44 5.762 -13.203 12.805
303 3HG2 THR 44 3HG2 THR 44 4.449 -13.210 13.983
304 H ARG 45 H ARG 45 2.431 -14.521 13.943
305 HA ARG 45 HA ARG 45 0.121 -14.034 15.345
306 1HB ARG 45 2HB ARG 45 1.577 -15.964 15.639
307 2HB ARG 45 3HB ARG 45 2.852 -14.960 16.316
308 1HG ARG 45 2HG ARG 45 1.740 -16.276 18.039
309 2HG ARG 45 3HG ARG 45 1.541 -14.548 18.332
310 1HD ARG 45 2HD ARG 45 -0.788 -14.749 17.261
311 2HD ARG 45 3HD ARG 45 -0.521 -16.487 17.192
312 HE ARG 45 HE ARG 45 -0.876 -16.642 19.483
313 1HH1 ARG 45 1HH2 ARG 45 -0.509 -13.209 18.752
314 2HH1 ARG 45 2HH2 ARG 45 -1.095 -12.744 20.328
315 1HH2 ARG 45 1HH1 ARG 45 -1.575 -15.947 21.466
316 2HH2 ARG 45 2HH1 ARG 45 -1.663 -14.246 21.817
317 H GLY 46 H GLY 46 2.864 -11.872 15.523
318 1HA GLY 46 2HA GLY 46 2.680 -9.667 16.319
319 2HA GLY 46 3HA GLY 46 1.278 -10.099 17.291
320 H ASP 47 H ASP 47 4.122 -12.110 17.574
321 HA ASP 47 HA ASP 47 4.907 -10.822 20.143
322 1HB ASP 47 2HB ASP 47 5.494 -12.957 20.967
323 2HB ASP 47 3HB ASP 47 3.899 -13.133 20.247
324 H VAL 48 H VAL 48 5.819 -10.527 17.215
325 HA VAL 48 HA VAL 48 8.613 -9.952 17.784
326 HB VAL 48 HB VAL 48 8.772 -12.311 17.134
327 1HG1 VAL 48 1HG1 VAL 48 6.801 -12.526 15.650
328 2HG1 VAL 48 2HG1 VAL 48 7.623 -11.543 14.419
329 3HG1 VAL 48 3HG1 VAL 48 8.284 -13.117 14.894
330 1HG2 VAL 48 1HG2 VAL 48 10.489 -12.125 15.467
331 2HG2 VAL 48 2HG2 VAL 48 9.887 -10.554 14.920
332 3HG2 VAL 48 3HG2 VAL 48 10.596 -10.729 16.546
333 H PHE 49 H PHE 49 9.379 -8.309 16.501
334 HA PHE 49 HA PHE 49 7.580 -7.156 14.406
335 1HB PHE 49 2HB PHE 49 8.752 -5.718 16.818
336 2HB PHE 49 3HB PHE 49 7.821 -4.964 15.520
337 HD1 PHE 49 1HD PHE 49 7.616 -6.798 18.661
338 HD2 PHE 49 2HD PHE 49 5.398 -5.608 15.157
339 HE1 PHE 49 1HE PHE 49 5.483 -7.287 19.841
340 HE2 PHE 49 2HE PHE 49 3.268 -6.090 16.344
341 HZ PHE 49 HZ PHE 49 3.310 -6.928 18.687
342 H THR 50 H THR 50 10.558 -8.350 14.708
343 HA THR 50 HA THR 50 12.205 -6.249 13.522
344 HB THR 50 HB THR 50 13.859 -8.143 13.300
345 HG1 THR 50 1HG THR 50 13.306 -10.079 14.296
346 1HG2 THR 50 1HG2 THR 50 13.776 -6.720 15.338
347 2HG2 THR 50 2HG2 THR 50 12.630 -7.859 16.079
348 3HG2 THR 50 3HG2 THR 50 14.283 -8.381 15.687
349 H MET 51 H MET 51 9.752 -7.995 12.181
350 HA MET 51 HA MET 51 10.827 -7.847 9.413
351 1HB MET 51 2HB MET 51 11.111 -10.180 10.294
352 2HB MET 51 3HB MET 51 9.367 -10.257 10.584
353 1HG MET 51 2HG MET 51 8.980 -9.876 8.143
354 2HG MET 51 3HG MET 51 10.738 -9.852 7.898
355 1HE MET 51 1HE MET 51 8.962 -11.665 6.134
356 2HE MET 51 2HE MET 51 10.738 -11.695 6.074
357 3HE MET 51 3HE MET 51 9.828 -13.216 6.196
Start of MODEL 17
1 1H ASP 1 1H ASP 1 3.724 -4.380 -21.029
2 2H ASP 1 2H ASP 1 3.041 -5.828 -21.371
3 3H ASP 1 3H ASP 1 2.095 -4.549 -20.968
4 HA ASP 1 HA ASP 1 2.302 -6.114 -19.132
5 1HB ASP 1 2HB ASP 1 4.418 -6.417 -18.011
6 2HB ASP 1 3HB ASP 1 4.587 -6.891 -19.705
7 H GLN 2 H GLN 2 2.528 -5.394 -16.853
8 HA GLN 2 HA GLN 2 2.696 -2.468 -16.407
9 1HB GLN 2 2HB GLN 2 0.282 -4.166 -15.609
10 2HB GLN 2 3HB GLN 2 0.588 -2.508 -15.136
11 1HG GLN 2 2HG GLN 2 -0.972 -2.257 -16.810
12 2HG GLN 2 3HG GLN 2 0.547 -1.900 -17.619
13 1HE2 GLN 2 2HE2 GLN 2 -0.788 -2.321 -19.616
14 2HE2 GLN 2 1HE2 GLN 2 -1.043 -3.997 -20.107
15 H GLU 3 H GLU 3 2.814 -1.936 -14.097
16 HA GLU 3 HA GLU 3 4.367 -3.827 -12.512
17 1HB GLU 3 2HB GLU 3 3.174 -1.082 -11.945
18 2HB GLU 3 3HB GLU 3 4.006 -2.042 -10.712
19 1HG GLU 3 2HG GLU 3 6.013 -2.168 -12.242
20 2HG GLU 3 3HG GLU 3 5.212 -0.992 -13.292
21 H SER 4 H SER 4 3.874 -4.402 -10.339
22 HA SER 4 HA SER 4 1.137 -4.421 -9.325
23 1HB SER 4 2HB SER 4 0.925 -6.762 -8.979
24 2HB SER 4 3HB SER 4 1.325 -6.566 -10.697
25 HG SER 4 HG SER 4 3.493 -7.091 -10.181
26 H CYS 5 H CYS 5 1.291 -5.592 -7.038
27 HA CYS 5 HA CYS 5 3.275 -4.157 -5.541
28 1HB CYS 5 2HB CYS 5 0.942 -4.704 -4.934
29 2HB CYS 5 3HB CYS 5 1.429 -6.383 -4.625
30 H LYS 6 H LYS 6 3.661 -7.127 -7.187
31 HA LYS 6 HA LYS 6 5.149 -8.607 -5.200
32 1HB LYS 6 2HB LYS 6 4.946 -8.909 -8.212
33 2HB LYS 6 3HB LYS 6 5.801 -10.039 -7.137
34 1HG LYS 6 2HG LYS 6 3.699 -10.321 -5.804
35 2HG LYS 6 3HG LYS 6 2.831 -9.327 -6.982
36 1HD LYS 6 2HD LYS 6 4.221 -11.972 -7.528
37 2HD LYS 6 3HD LYS 6 2.495 -11.739 -7.301
38 1HE LYS 6 2HE LYS 6 4.181 -10.643 -9.600
39 2HE LYS 6 3HE LYS 6 3.066 -12.010 -9.671
40 1HZ LYS 6 1HZ LYS 6 1.264 -10.380 -9.030
41 2HZ LYS 6 2HZ LYS 6 2.344 -9.164 -9.267
42 3HZ LYS 6 3HZ LYS 6 1.921 -10.126 -10.510
43 H GLY 7 H GLY 7 6.798 -7.764 -4.319
44 1HA GLY 7 2HA GLY 7 9.182 -7.297 -4.273
45 2HA GLY 7 3HA GLY 7 9.069 -6.588 -5.889
46 H ARG 8 H ARG 8 6.443 -5.563 -3.940
47 HA ARG 8 HA ARG 8 7.799 -3.004 -3.136
48 1HB ARG 8 2HB ARG 8 5.161 -3.290 -4.629
49 2HB ARG 8 3HB ARG 8 5.831 -1.803 -3.975
50 1HG ARG 8 2HG ARG 8 7.875 -2.176 -5.470
51 2HG ARG 8 3HG ARG 8 6.967 -3.489 -6.229
52 1HD ARG 8 2HD ARG 8 6.754 -1.516 -7.590
53 2HD ARG 8 3HD ARG 8 5.175 -1.860 -6.854
54 HE ARG 8 HE ARG 8 6.291 -0.099 -5.057
55 1HH1 ARG 8 1HH2 ARG 8 5.999 0.330 -8.587
56 2HH1 ARG 8 2HH2 ARG 8 5.827 2.046 -8.360
57 1HH2 ARG 8 1HH1 ARG 8 6.158 1.907 -4.926
58 2HH2 ARG 8 2HH1 ARG 8 5.951 2.970 -6.323
59 H CYS 9 H CYS 9 4.882 -5.078 -2.508
60 HA CYS 9 HA CYS 9 3.496 -3.774 -0.774
61 1HB CYS 9 2HB CYS 9 4.384 -6.595 -0.116
62 2HB CYS 9 3HB CYS 9 2.832 -5.828 0.254
63 H THR 10 H THR 10 3.197 -3.174 1.208
64 HA THR 10 HA THR 10 3.544 -2.261 3.202
65 HB THR 10 HB THR 10 5.126 -2.901 4.859
66 HG1 THR 10 1HG THR 10 6.292 -4.354 2.776
67 1HG2 THR 10 1HG2 THR 10 4.430 -5.210 5.195
68 2HG2 THR 10 2HG2 THR 10 3.084 -4.222 4.608
69 3HG2 THR 10 3HG2 THR 10 3.918 -5.337 3.498
70 H GLU 11 H GLU 11 4.204 -1.052 0.879
71 HA GLU 11 HA GLU 11 6.620 0.426 0.789
72 1HB GLU 11 2HB GLU 11 3.776 1.116 -0.018
73 2HB GLU 11 3HB GLU 11 5.134 2.155 -0.414
74 1HG GLU 11 2HG GLU 11 4.895 -0.716 -1.367
75 2HG GLU 11 3HG GLU 11 4.252 0.675 -2.225
76 H GLY 12 H GLY 12 3.907 0.845 2.956
77 1HA GLY 12 2HA GLY 12 3.589 2.332 4.728
78 2HA GLY 12 3HA GLY 12 5.059 3.218 4.284
79 H PHE 13 H PHE 13 2.516 4.402 4.943
80 HA PHE 13 HA PHE 13 0.955 4.989 2.631
81 1HB PHE 13 2HB PHE 13 0.041 5.037 4.853
82 2HB PHE 13 3HB PHE 13 1.173 6.304 5.357
83 HD1 PHE 13 1HD PHE 13 -0.957 6.029 2.240
84 HD2 PHE 13 2HD PHE 13 -0.233 8.089 5.972
85 HE1 PHE 13 1HE PHE 13 -2.812 7.569 1.762
86 HE2 PHE 13 2HE PHE 13 -2.056 9.690 5.436
87 HZ PHE 13 HZ PHE 13 -3.364 9.422 3.335
88 H ASN 14 H ASN 14 1.232 6.371 1.016
89 HA ASN 14 HA ASN 14 2.286 9.052 1.420
90 1HB ASN 14 2HB ASN 14 4.366 7.693 1.012
91 2HB ASN 14 3HB ASN 14 3.741 7.271 -0.589
92 1HD2 ASN 14 2HD2 ASN 14 6.182 8.603 -0.266
93 2HD2 ASN 14 1HD2 ASN 14 6.004 10.281 -0.775
94 H VAL 15 H VAL 15 0.068 9.401 0.977
95 HA VAL 15 HA VAL 15 -1.425 8.317 -1.070
96 HB VAL 15 HB VAL 15 -2.059 9.600 1.029
97 1HG1 VAL 15 1HG1 VAL 15 -2.831 11.799 0.937
98 2HG1 VAL 15 2HG1 VAL 15 -1.115 11.778 0.509
99 3HG1 VAL 15 3HG1 VAL 15 -2.344 11.981 -0.770
100 1HG2 VAL 15 1HG2 VAL 15 -3.822 9.934 -1.398
101 2HG2 VAL 15 2HG2 VAL 15 -3.650 8.452 -0.423
102 3HG2 VAL 15 3HG2 VAL 15 -4.321 9.914 0.308
103 H ASP 16 H ASP 16 0.958 10.665 -1.650
104 HA ASP 16 HA ASP 16 -0.052 11.828 -4.101
105 1HB ASP 16 2HB ASP 16 1.771 12.757 -2.672
106 2HB ASP 16 3HB ASP 16 2.772 11.362 -3.093
107 H LYS 17 H LYS 17 1.304 8.680 -3.351
108 HA LYS 17 HA LYS 17 2.308 8.248 -6.099
109 1HB LYS 17 2HB LYS 17 2.542 6.400 -3.701
110 2HB LYS 17 3HB LYS 17 3.493 6.362 -5.194
111 1HG LYS 17 2HG LYS 17 3.590 8.451 -2.988
112 2HG LYS 17 3HG LYS 17 4.844 7.287 -3.422
113 1HD LYS 17 2HD LYS 17 5.269 8.460 -5.533
114 2HD LYS 17 3HD LYS 17 3.901 9.559 -5.235
115 1HE LYS 17 2HE LYS 17 5.013 10.272 -3.092
116 2HE LYS 17 3HE LYS 17 6.450 9.361 -3.595
117 1HZ LYS 17 1HZ LYS 17 6.610 11.694 -4.264
118 2HZ LYS 17 2HZ LYS 17 6.473 10.792 -5.622
119 3HZ LYS 17 3HZ LYS 17 5.176 11.628 -5.051
120 H LYS 18 H LYS 18 2.062 6.317 -7.245
121 HA LYS 18 HA LYS 18 -0.618 5.998 -7.980
122 1HB LYS 18 2HB LYS 18 1.335 5.900 -9.473
123 2HB LYS 18 3HB LYS 18 1.794 4.336 -8.790
124 1HG LYS 18 2HG LYS 18 0.748 4.077 -10.971
125 2HG LYS 18 3HG LYS 18 -0.281 3.340 -9.734
126 1HD LYS 18 2HD LYS 18 -1.690 5.417 -9.728
127 2HD LYS 18 3HD LYS 18 -0.665 6.094 -11.010
128 1HE LYS 18 2HE LYS 18 -1.250 4.189 -12.488
129 2HE LYS 18 3HE LYS 18 -2.259 3.497 -11.211
130 1HZ LYS 18 1HZ LYS 18 -3.666 5.485 -11.335
131 2HZ LYS 18 2HZ LYS 18 -2.732 6.130 -12.512
132 3HZ LYS 18 3HZ LYS 18 -3.587 4.770 -12.800
133 H CYS 19 H CYS 19 1.136 3.915 -5.777
134 HA CYS 19 HA CYS 19 -1.446 2.512 -5.291
135 1HB CYS 19 2HB CYS 19 -0.089 0.875 -6.557
136 2HB CYS 19 3HB CYS 19 1.231 1.076 -5.392
137 H GLN 20 H GLN 20 -2.002 2.453 -3.276
138 HA GLN 20 HA GLN 20 -0.059 3.063 -1.095
139 1HB GLN 20 2HB GLN 20 -3.079 2.810 -1.021
140 2HB GLN 20 3HB GLN 20 -2.004 3.387 0.268
141 1HG GLN 20 2HG GLN 20 -2.549 4.785 -2.392
142 2HG GLN 20 3HG GLN 20 -2.974 5.376 -0.796
143 1HE2 GLN 20 2HE2 GLN 20 -0.850 6.058 -3.248
144 2HE2 GLN 20 1HE2 GLN 20 0.432 6.677 -2.205
145 H CYS 21 H CYS 21 0.923 1.079 -1.789
146 HA CYS 21 HA CYS 21 -0.434 -1.522 -1.418
147 1HB CYS 21 2HB CYS 21 2.319 -0.578 -2.327
148 2HB CYS 21 3HB CYS 21 1.946 -2.278 -2.049
149 H ASP 22 H ASP 22 -0.699 -0.358 0.917
150 HA ASP 22 HA ASP 22 1.236 -1.572 2.800
151 1HB ASP 22 2HB ASP 22 1.839 0.460 3.812
152 2HB ASP 22 3HB ASP 22 1.986 0.776 2.081
153 H GLU 23 H GLU 23 0.628 -0.882 5.100
154 HA GLU 23 HA GLU 23 -1.637 -2.363 5.756
155 1HB GLU 23 2HB GLU 23 -0.062 -0.438 7.511
156 2HB GLU 23 3HB GLU 23 -1.052 -1.797 8.057
157 1HG GLU 23 2HG GLU 23 0.471 -3.363 6.820
158 2HG GLU 23 3HG GLU 23 1.493 -1.993 6.372
159 H LEU 24 H LEU 24 -1.625 1.164 5.258
160 HA LEU 24 HA LEU 24 -4.139 1.435 6.866
161 1HB LEU 24 2HB LEU 24 -2.379 3.568 5.621
162 2HB LEU 24 3HB LEU 24 -3.751 3.828 6.696
163 HG LEU 24 HG LEU 24 -1.069 2.619 7.383
164 1HD1 LEU 24 1HD1 LEU 24 -0.866 4.565 8.854
165 2HD1 LEU 24 2HD1 LEU 24 -1.146 5.072 7.180
166 3HD1 LEU 24 3HD1 LEU 24 -2.477 5.133 8.357
167 1HD2 LEU 24 1HD2 LEU 24 -1.893 2.561 9.748
168 2HD2 LEU 24 2HD2 LEU 24 -3.529 2.944 9.161
169 3HD2 LEU 24 3HD2 LEU 24 -2.743 1.413 8.714
170 H CYS 25 H CYS 25 -3.448 0.736 3.676
171 HA CYS 25 HA CYS 25 -4.762 2.699 2.282
172 1HB CYS 25 2HB CYS 25 -4.482 1.424 0.387
173 2HB CYS 25 3HB CYS 25 -3.192 0.942 1.497
174 H SER 26 H SER 26 -6.500 0.268 3.995
175 HA SER 26 HA SER 26 -8.977 0.570 2.498
176 1HB SER 26 2HB SER 26 -8.364 -1.418 3.833
177 2HB SER 26 3HB SER 26 -8.519 -0.457 5.322
178 HG SER 26 HG SER 26 -10.431 -1.658 4.794
179 H TYR 27 H TYR 27 -7.485 2.434 5.119
180 HA TYR 27 HA TYR 27 -9.923 3.723 6.024
181 1HB TYR 27 2HB TYR 27 -8.452 3.793 7.706
182 2HB TYR 27 3HB TYR 27 -7.051 3.770 6.675
183 HD1 TYR 27 1HD TYR 27 -5.679 5.617 6.522
184 HD2 TYR 27 2HD TYR 27 -9.751 6.139 7.836
185 HE1 TYR 27 1HE TYR 27 -5.247 8.054 6.864
186 HE2 TYR 27 2HE TYR 27 -9.299 8.550 8.267
187 HH TYR 27 HH TYR 27 -7.772 10.253 8.162
188 H TYR 28 H TYR 28 -7.600 4.507 3.479
189 HA TYR 28 HA TYR 28 -9.343 6.796 2.655
190 1HB TYR 28 2HB TYR 28 -7.246 7.774 1.642
191 2HB TYR 28 3HB TYR 28 -7.363 7.754 3.400
192 HD1 TYR 28 1HD TYR 28 -5.534 6.966 4.658
193 HD2 TYR 28 2HD TYR 28 -5.983 5.685 0.580
194 HE1 TYR 28 1HE TYR 28 -3.513 5.572 4.895
195 HE2 TYR 28 2HE TYR 28 -3.951 4.301 0.815
196 HH TYR 28 HH TYR 28 -2.196 3.594 2.233
197 H GLN 29 H GLN 29 -9.145 3.782 1.873
198 HA GLN 29 HA GLN 29 -9.481 2.475 0.067
199 1HB GLN 29 2HB GLN 29 -11.231 4.794 -0.817
200 2HB GLN 29 3HB GLN 29 -11.397 3.095 -1.243
201 1HG GLN 29 2HG GLN 29 -13.027 3.348 0.368
202 2HG GLN 29 3HG GLN 29 -11.695 2.626 1.275
203 1HE2 GLN 29 2HE2 GLN 29 -11.575 3.570 3.304
204 2HE2 GLN 29 1HE2 GLN 29 -11.831 5.289 3.615
205 H SER 30 H SER 30 -7.019 3.354 -0.461
206 HA SER 30 HA SER 30 -7.009 3.874 -3.429
207 1HB SER 30 2HB SER 30 -5.170 5.161 -1.395
208 2HB SER 30 3HB SER 30 -5.060 5.334 -3.157
209 HG SER 30 HG SER 30 -7.292 6.118 -1.557
210 H CYS 31 H CYS 31 -6.629 1.347 -1.831
211 HA CYS 31 HA CYS 31 -3.934 0.447 -1.945
212 1HB CYS 31 2HB CYS 31 -6.382 -1.273 -2.399
213 2HB CYS 31 3HB CYS 31 -4.845 -1.682 -1.621
214 H CYS 32 H CYS 32 -2.967 -1.198 -3.421
215 HA CYS 32 HA CYS 32 -3.064 -0.948 -6.155
216 1HB CYS 32 2HB CYS 32 -2.569 -3.633 -5.966
217 2HB CYS 32 3HB CYS 32 -1.379 -2.384 -5.705
218 H THR 33 H THR 33 -3.897 -2.181 -7.874
219 HA THR 33 HA THR 33 -6.685 -2.231 -8.029
220 HB THR 33 HB THR 33 -6.335 -3.469 -10.200
221 HG1 THR 33 1HG THR 33 -4.198 -3.811 -10.815
222 1HG2 THR 33 1HG2 THR 33 -6.212 -0.989 -10.073
223 2HG2 THR 33 2HG2 THR 33 -4.467 -1.095 -9.754
224 3HG2 THR 33 3HG2 THR 33 -5.129 -1.659 -11.303
225 H ASP 34 H ASP 34 -4.708 -4.867 -6.900
226 HA ASP 34 HA ASP 34 -7.182 -6.377 -6.329
227 1HB ASP 34 2HB ASP 34 -6.088 -7.186 -8.499
228 2HB ASP 34 3HB ASP 34 -4.743 -7.758 -7.504
229 H TYR 35 H TYR 35 -5.604 -4.727 -4.662
230 HA TYR 35 HA TYR 35 -3.656 -5.537 -3.062
231 1HB TYR 35 2HB TYR 35 -4.703 -3.460 -2.682
232 2HB TYR 35 3HB TYR 35 -6.244 -4.226 -2.294
233 HD1 TYR 35 1HD TYR 35 -2.823 -3.430 -0.964
234 HD2 TYR 35 2HD TYR 35 -6.744 -5.070 -0.111
235 HE1 TYR 35 1HE TYR 35 -2.364 -3.316 1.472
236 HE2 TYR 35 2HE TYR 35 -6.268 -4.930 2.317
237 HH TYR 35 HH TYR 35 -4.793 -4.279 3.927
238 H THR 36 H THR 36 -6.955 -6.742 -2.240
239 HA THR 36 HA THR 36 -6.020 -8.204 -0.027
240 HB THR 36 HB THR 36 -8.534 -9.111 -1.388
241 HG1 THR 36 1HG THR 36 -9.589 -7.249 -0.710
242 1HG2 THR 36 1HG2 THR 36 -7.828 -8.232 1.458
243 2HG2 THR 36 2HG2 THR 36 -9.411 -8.858 0.937
244 3HG2 THR 36 3HG2 THR 36 -7.991 -9.910 0.897
245 H ALA 37 H ALA 37 -5.604 -9.106 -3.293
246 HA ALA 37 HA ALA 37 -5.042 -11.942 -2.488
247 1HB ALA 37 1HB ALA 37 -6.977 -11.765 -3.995
248 2HB ALA 37 2HB ALA 37 -5.981 -10.886 -5.177
249 3HB ALA 37 3HB ALA 37 -5.609 -12.576 -4.783
250 H GLU 38 H GLU 38 -3.809 -9.117 -4.306
251 HA GLU 38 HA GLU 38 -1.307 -10.609 -4.964
252 1HB GLU 38 2HB GLU 38 -2.531 -8.003 -5.928
253 2HB GLU 38 3HB GLU 38 -0.883 -8.487 -6.340
254 1HG GLU 38 2HG GLU 38 -3.352 -10.149 -6.981
255 2HG GLU 38 3HG GLU 38 -2.573 -9.027 -8.094
256 H CYS 39 H CYS 39 -2.362 -8.106 -2.738
257 HA CYS 39 HA CYS 39 0.495 -7.414 -2.211
258 1HB CYS 39 2HB CYS 39 -1.785 -5.605 -1.556
259 2HB CYS 39 3HB CYS 39 -0.123 -5.200 -1.785
260 H LYS 40 H LYS 40 -2.496 -8.299 -0.705
261 HA LYS 40 HA LYS 40 -2.900 -7.554 1.628
262 1HB LYS 40 2HB LYS 40 -3.928 -9.503 0.633
263 2HB LYS 40 3HB LYS 40 -2.608 -10.524 1.219
264 1HG LYS 40 2HG LYS 40 -3.207 -10.020 3.551
265 2HG LYS 40 3HG LYS 40 -4.361 -8.784 3.024
266 1HD LYS 40 2HD LYS 40 -5.505 -10.840 3.736
267 2HD LYS 40 3HD LYS 40 -5.823 -10.438 2.056
268 1HE LYS 40 2HE LYS 40 -5.529 -12.816 2.225
269 2HE LYS 40 3HE LYS 40 -4.183 -12.144 1.309
270 1HZ LYS 40 1HZ LYS 40 -3.438 -13.768 2.968
271 2HZ LYS 40 2HZ LYS 40 -2.820 -12.305 3.340
272 3HZ LYS 40 3HZ LYS 40 -4.086 -12.904 4.188
273 HA PRO 41 HA PRO 41 0.887 -7.855 4.228
274 1HB PRO 41 2HB PRO 41 0.805 -5.383 5.288
275 2HB PRO 41 3HB PRO 41 1.288 -5.620 3.582
276 1HG PRO 41 2HG PRO 41 -1.433 -4.805 4.638
277 2HG PRO 41 3HG PRO 41 -0.476 -4.044 3.326
278 1HD PRO 41 2HD PRO 41 -2.458 -5.970 2.957
279 2HD PRO 41 3HD PRO 41 -1.130 -5.682 1.797
280 H GLN 42 H GLN 42 0.687 -6.904 6.778
281 HA GLN 42 HA GLN 42 -1.212 -8.470 8.191
282 1HB GLN 42 2HB GLN 42 0.855 -7.518 9.153
283 2HB GLN 42 3HB GLN 42 0.162 -5.885 9.043
284 1HG GLN 42 2HG GLN 42 -1.646 -6.549 10.603
285 2HG GLN 42 3HG GLN 42 -0.982 -8.183 10.706
286 1HE2 GLN 42 2HE2 GLN 42 -1.367 -5.826 12.712
287 2HE2 GLN 42 1HE2 GLN 42 0.224 -5.738 13.481
288 H VAL 43 H VAL 43 -3.275 -8.168 8.815
289 HA VAL 43 HA VAL 43 -4.726 -5.667 8.110
290 HB VAL 43 HB VAL 43 -4.721 -7.267 6.238
291 1HG1 VAL 43 1HG1 VAL 43 -6.054 -9.287 6.245
292 2HG1 VAL 43 2HG1 VAL 43 -4.760 -9.411 7.441
293 3HG1 VAL 43 3HG1 VAL 43 -6.430 -9.093 7.965
294 1HG2 VAL 43 1HG2 VAL 43 -7.013 -7.068 5.625
295 2HG2 VAL 43 2HG2 VAL 43 -7.523 -6.836 7.303
296 3HG2 VAL 43 3HG2 VAL 43 -6.521 -5.607 6.498
297 H THR 44 H THR 44 -3.885 -6.352 10.613
298 HA THR 44 HA THR 44 -5.908 -7.484 12.327
299 HB THR 44 HB THR 44 -4.609 -6.106 14.092
300 HG1 THR 44 1HG THR 44 -3.647 -4.600 12.721
301 1HG2 THR 44 1HG2 THR 44 -2.684 -7.625 14.024
302 2HG2 THR 44 2HG2 THR 44 -4.187 -8.498 13.685
303 3HG2 THR 44 3HG2 THR 44 -3.083 -8.092 12.355
304 H ARG 45 H ARG 45 -7.039 -6.275 14.010
305 HA ARG 45 HA ARG 45 -8.983 -4.547 12.995
306 1HB ARG 45 2HB ARG 45 -9.739 -4.290 15.292
307 2HB ARG 45 3HB ARG 45 -9.263 -5.957 14.984
308 1HG ARG 45 2HG ARG 45 -7.099 -5.567 16.157
309 2HG ARG 45 3HG ARG 45 -7.568 -3.878 16.457
310 1HD ARG 45 2HD ARG 45 -9.532 -4.655 17.742
311 2HD ARG 45 3HD ARG 45 -9.042 -6.340 17.473
312 HE ARG 45 HE ARG 45 -6.803 -5.117 18.593
313 1HH1 ARG 45 1HH2 ARG 45 -10.088 -5.644 19.695
314 2HH1 ARG 45 2HH2 ARG 45 -9.622 -5.621 21.374
315 1HH2 ARG 45 1HH1 ARG 45 -6.279 -5.111 20.752
316 2HH2 ARG 45 2HH1 ARG 45 -7.520 -5.340 21.947
317 H GLY 46 H GLY 46 -9.625 -2.425 13.459
318 1HA GLY 46 2HA GLY 46 -7.528 -0.426 13.194
319 2HA GLY 46 3HA GLY 46 -9.271 -0.156 13.202
320 H ASP 47 H ASP 47 -8.782 -1.826 16.000
321 HA ASP 47 HA ASP 47 -8.992 0.505 17.678
322 1HB ASP 47 2HB ASP 47 -10.152 -1.755 17.960
323 2HB ASP 47 3HB ASP 47 -8.601 -2.400 18.496
324 H VAL 48 H VAL 48 -6.347 -0.489 16.298
325 HA VAL 48 HA VAL 48 -4.474 0.525 18.355
326 HB VAL 48 HB VAL 48 -2.822 -1.259 17.853
327 1HG1 VAL 48 1HG1 VAL 48 -5.383 -2.372 19.053
328 2HG1 VAL 48 2HG1 VAL 48 -3.727 -2.954 19.320
329 3HG1 VAL 48 3HG1 VAL 48 -4.203 -1.351 19.904
330 1HG2 VAL 48 1HG2 VAL 48 -3.742 -2.118 15.707
331 2HG2 VAL 48 2HG2 VAL 48 -3.502 -3.400 16.899
332 3HG2 VAL 48 3HG2 VAL 48 -5.135 -2.787 16.581
333 H PHE 49 H PHE 49 -2.427 1.211 17.484
334 HA PHE 49 HA PHE 49 -2.275 1.581 14.537
335 1HB PHE 49 2HB PHE 49 -3.490 3.494 15.754
336 2HB PHE 49 3HB PHE 49 -1.929 3.890 16.477
337 HD1 PHE 49 1HD PHE 49 -3.587 3.269 13.145
338 HD2 PHE 49 2HD PHE 49 -0.533 5.427 15.294
339 HE1 PHE 49 1HE PHE 49 -3.081 4.593 11.103
340 HE2 PHE 49 2HE PHE 49 -0.031 6.748 13.251
341 HZ PHE 49 HZ PHE 49 -1.300 6.328 11.151
342 H THR 50 H THR 50 -0.736 0.042 16.715
343 HA THR 50 HA THR 50 1.899 1.098 16.954
344 HB THR 50 HB THR 50 1.093 -1.835 16.882
345 HG1 THR 50 1HG THR 50 0.797 -1.573 19.106
346 1HG2 THR 50 1HG2 THR 50 3.544 -1.458 16.932
347 2HG2 THR 50 2HG2 THR 50 3.354 -0.359 18.319
348 3HG2 THR 50 3HG2 THR 50 2.974 -2.091 18.481
349 H MET 51 H MET 51 3.335 1.486 15.401
350 HA MET 51 HA MET 51 3.726 -0.327 13.080
351 1HB MET 51 2HB MET 51 3.216 2.674 12.865
352 2HB MET 51 3HB MET 51 3.851 1.657 11.569
353 1HG MET 51 2HG MET 51 1.768 0.291 11.630
354 2HG MET 51 3HG MET 51 1.132 1.360 12.888
355 1HE MET 51 1HE MET 51 1.762 0.789 9.118
356 2HE MET 51 2HE MET 51 1.594 2.408 8.406
357 3HE MET 51 3HE MET 51 3.020 2.016 9.390
Start of MODEL 18
1 1H ASP 1 1H ASP 1 -4.143 5.601 -14.607
2 2H ASP 1 2H ASP 1 -5.039 4.234 -14.473
3 3H ASP 1 3H ASP 1 -4.610 5.057 -13.130
4 HA ASP 1 HA ASP 1 -2.765 3.670 -14.952
5 1HB ASP 1 2HB ASP 1 -2.074 5.855 -13.585
6 2HB ASP 1 3HB ASP 1 -1.925 4.706 -12.248
7 H GLN 2 H GLN 2 -1.541 1.891 -13.683
8 HA GLN 2 HA GLN 2 -3.254 0.469 -11.688
9 1HB GLN 2 2HB GLN 2 -2.244 -0.717 -14.310
10 2HB GLN 2 3HB GLN 2 -2.879 -1.658 -12.958
11 1HG GLN 2 2HG GLN 2 -5.070 -0.527 -13.167
12 2HG GLN 2 3HG GLN 2 -4.458 0.433 -14.517
13 1HE2 GLN 2 2HE2 GLN 2 -4.423 -0.501 -16.613
14 2HE2 GLN 2 1HE2 GLN 2 -4.963 -2.155 -16.898
15 H GLU 3 H GLU 3 -2.082 -0.526 -10.115
16 HA GLU 3 HA GLU 3 0.758 -1.152 -10.404
17 1HB GLU 3 2HB GLU 3 0.734 1.345 -10.175
18 2HB GLU 3 3HB GLU 3 -0.061 1.178 -8.608
19 1HG GLU 3 2HG GLU 3 1.919 0.012 -7.719
20 2HG GLU 3 3HG GLU 3 2.649 -0.033 -9.321
21 H SER 4 H SER 4 1.569 -2.414 -8.695
22 HA SER 4 HA SER 4 -0.126 -3.150 -6.432
23 1HB SER 4 2HB SER 4 -1.056 -4.290 -8.555
24 2HB SER 4 3HB SER 4 0.398 -5.314 -8.481
25 HG SER 4 HG SER 4 -1.410 -6.182 -7.333
26 H CYS 5 H CYS 5 0.734 -5.400 -5.656
27 HA CYS 5 HA CYS 5 2.744 -4.893 -3.941
28 1HB CYS 5 2HB CYS 5 1.051 -6.647 -3.872
29 2HB CYS 5 3HB CYS 5 1.900 -7.551 -5.111
30 H LYS 6 H LYS 6 3.521 -6.110 -7.208
31 HA LYS 6 HA LYS 6 5.876 -7.476 -6.402
32 1HB LYS 6 2HB LYS 6 4.879 -6.474 -9.075
33 2HB LYS 6 3HB LYS 6 6.460 -7.270 -8.921
34 1HG LYS 6 2HG LYS 6 5.470 -9.249 -7.934
35 2HG LYS 6 3HG LYS 6 3.853 -8.524 -7.946
36 1HD LYS 6 2HD LYS 6 5.511 -8.976 -10.446
37 2HD LYS 6 3HD LYS 6 4.431 -10.205 -9.803
38 1HE LYS 6 2HE LYS 6 3.470 -7.397 -10.507
39 2HE LYS 6 3HE LYS 6 3.531 -8.703 -11.692
40 1HZ LYS 6 1HZ LYS 6 1.950 -8.824 -9.159
41 2HZ LYS 6 2HZ LYS 6 1.343 -8.561 -10.654
42 3HZ LYS 6 3HZ LYS 6 2.033 -9.994 -10.296
43 H GLY 7 H GLY 7 7.308 -6.507 -5.257
44 1HA GLY 7 2HA GLY 7 9.246 -5.316 -4.777
45 2HA GLY 7 3HA GLY 7 9.071 -4.385 -6.273
46 H ARG 8 H ARG 8 6.249 -4.467 -4.203
47 HA ARG 8 HA ARG 8 6.831 -1.718 -3.135
48 1HB ARG 8 2HB ARG 8 4.394 -2.456 -4.803
49 2HB ARG 8 3HB ARG 8 4.740 -0.885 -4.070
50 1HG ARG 8 2HG ARG 8 6.814 -0.731 -5.487
51 2HG ARG 8 3HG ARG 8 6.322 -2.231 -6.282
52 1HD ARG 8 2HD ARG 8 5.643 -0.481 -7.710
53 2HD ARG 8 3HD ARG 8 4.191 -1.172 -6.979
54 HE ARG 8 HE ARG 8 3.704 0.889 -6.092
55 1HH1 ARG 8 1HH1 ARG 8 7.185 0.989 -6.551
56 2HH1 ARG 8 2HH1 ARG 8 7.224 2.723 -6.403
57 1HH2 ARG 8 1HH2 ARG 8 3.813 3.012 -6.341
58 2HH2 ARG 8 2HH2 ARG 8 5.337 3.861 -6.199
59 H CYS 9 H CYS 9 4.750 -4.616 -2.738
60 HA CYS 9 HA CYS 9 3.035 -3.505 -0.797
61 1HB CYS 9 2HB CYS 9 2.801 -5.961 -0.062
62 2HB CYS 9 3HB CYS 9 2.306 -5.398 -1.666
63 H THR 10 H THR 10 2.887 -3.281 1.252
64 HA THR 10 HA THR 10 3.353 -2.758 3.344
65 HB THR 10 HB THR 10 5.527 -4.831 3.607
66 HG1 THR 10 1HG THR 10 3.982 -6.402 3.774
67 1HG2 THR 10 1HG2 THR 10 3.155 -4.016 5.363
68 2HG2 THR 10 2HG2 THR 10 4.372 -5.247 5.771
69 3HG2 THR 10 3HG2 THR 10 4.843 -3.550 5.641
70 H GLU 11 H GLU 11 4.783 -1.350 1.275
71 HA GLU 11 HA GLU 11 7.483 -0.740 2.109
72 1HB GLU 11 2HB GLU 11 7.294 1.057 0.447
73 2HB GLU 11 3HB GLU 11 6.837 -0.511 -0.203
74 1HG GLU 11 2HG GLU 11 4.399 0.147 0.092
75 2HG GLU 11 3HG GLU 11 4.935 1.703 0.708
76 H GLY 12 H GLY 12 4.541 0.397 3.431
77 1HA GLY 12 2HA GLY 12 4.272 2.042 5.118
78 2HA GLY 12 3HA GLY 12 5.750 2.861 4.638
79 H PHE 13 H PHE 13 2.697 3.437 4.800
80 HA PHE 13 HA PHE 13 1.718 3.907 2.200
81 1HB PHE 13 2HB PHE 13 0.292 3.562 4.115
82 2HB PHE 13 3HB PHE 13 0.904 5.024 4.899
83 HD1 PHE 13 1HD PHE 13 -1.215 3.645 2.166
84 HD2 PHE 13 2HD PHE 13 -0.017 7.196 4.322
85 HE1 PHE 13 1HE PHE 13 -3.216 4.845 1.333
86 HE2 PHE 13 2HE PHE 13 -1.957 8.411 3.383
87 HZ PHE 13 HZ PHE 13 -3.559 7.230 1.903
88 H ASN 14 H ASN 14 1.550 5.518 0.850
89 HA ASN 14 HA ASN 14 1.940 8.317 1.564
90 1HB ASN 14 2HB ASN 14 4.245 7.644 0.980
91 2HB ASN 14 3HB ASN 14 3.681 6.989 -0.567
92 1HD2 ASN 14 2HD2 ASN 14 5.706 8.869 -0.567
93 2HD2 ASN 14 1HD2 ASN 14 5.056 10.370 -1.222
94 H VAL 15 H VAL 15 0.055 9.105 0.842
95 HA VAL 15 HA VAL 15 -1.518 7.683 -1.087
96 HB VAL 15 HB VAL 15 -2.204 8.998 1.016
97 1HG1 VAL 15 1HG1 VAL 15 -3.145 11.143 0.771
98 2HG1 VAL 15 2HG1 VAL 15 -1.424 11.221 0.359
99 3HG1 VAL 15 3HG1 VAL 15 -2.653 11.248 -0.937
100 1HG2 VAL 15 1HG2 VAL 15 -4.477 9.085 0.257
101 2HG2 VAL 15 2HG2 VAL 15 -3.958 9.052 -1.446
102 3HG2 VAL 15 3HG2 VAL 15 -3.668 7.650 -0.386
103 H ASP 16 H ASP 16 0.938 9.890 -1.699
104 HA ASP 16 HA ASP 16 -0.178 11.032 -4.160
105 1HB ASP 16 2HB ASP 16 1.490 12.160 -2.653
106 2HB ASP 16 3HB ASP 16 2.686 10.958 -3.171
107 H LYS 17 H LYS 17 1.358 8.028 -3.356
108 HA LYS 17 HA LYS 17 2.527 7.396 -5.959
109 1HB LYS 17 2HB LYS 17 1.740 5.696 -3.552
110 2HB LYS 17 3HB LYS 17 2.544 5.046 -4.992
111 1HG LYS 17 2HG LYS 17 4.469 6.524 -4.637
112 2HG LYS 17 3HG LYS 17 3.686 7.244 -3.212
113 1HD LYS 17 2HD LYS 17 3.705 5.073 -2.060
114 2HD LYS 17 3HD LYS 17 4.429 4.296 -3.486
115 1HE LYS 17 2HE LYS 17 6.427 5.680 -3.310
116 2HE LYS 17 3HE LYS 17 5.713 6.624 -1.989
117 1HZ LYS 17 1HZ LYS 17 6.333 3.711 -1.830
118 2HZ LYS 17 2HZ LYS 17 7.258 4.898 -1.189
119 3HZ LYS 17 3HZ LYS 17 5.753 4.632 -0.610
120 H LYS 18 H LYS 18 1.744 5.368 -7.192
121 HA LYS 18 HA LYS 18 -1.035 5.854 -8.071
122 1HB LYS 18 2HB LYS 18 1.243 4.134 -9.035
123 2HB LYS 18 3HB LYS 18 -0.409 3.755 -9.543
124 1HG LYS 18 2HG LYS 18 0.632 5.100 -11.192
125 2HG LYS 18 3HG LYS 18 -0.644 6.064 -10.421
126 1HD LYS 18 2HD LYS 18 1.094 7.200 -9.032
127 2HD LYS 18 3HD LYS 18 2.356 6.261 -9.844
128 1HE LYS 18 2HE LYS 18 0.421 8.173 -11.238
129 2HE LYS 18 3HE LYS 18 2.076 8.573 -10.772
130 1HZ LYS 18 1HZ LYS 18 2.849 6.793 -12.268
131 2HZ LYS 18 2HZ LYS 18 1.316 6.467 -12.750
132 3HZ LYS 18 3HZ LYS 18 1.991 7.911 -13.088
133 H CYS 19 H CYS 19 0.701 3.035 -6.653
134 HA CYS 19 HA CYS 19 -1.937 2.013 -5.620
135 1HB CYS 19 2HB CYS 19 -0.827 0.067 -4.943
136 2HB CYS 19 3HB CYS 19 -0.190 0.361 -6.554
137 H GLN 20 H GLN 20 -2.189 1.730 -3.430
138 HA GLN 20 HA GLN 20 -0.230 3.057 -1.583
139 1HB GLN 20 2HB GLN 20 -3.255 2.929 -1.524
140 2HB GLN 20 3HB GLN 20 -2.291 3.122 -0.059
141 1HG GLN 20 2HG GLN 20 -3.006 5.277 -0.887
142 2HG GLN 20 3HG GLN 20 -1.250 5.138 -0.804
143 1HE2 GLN 20 2HE2 GLN 20 -0.269 6.233 -2.557
144 2HE2 GLN 20 1HE2 GLN 20 -1.086 6.411 -4.101
145 H CYS 21 H CYS 21 0.857 1.095 -2.130
146 HA CYS 21 HA CYS 21 -0.196 -1.506 -1.515
147 1HB CYS 21 2HB CYS 21 2.645 -0.499 -2.033
148 2HB CYS 21 3HB CYS 21 2.142 -2.180 -1.975
149 H ASP 22 H ASP 22 -0.621 -0.017 0.818
150 HA ASP 22 HA ASP 22 1.054 -1.402 2.799
151 1HB ASP 22 2HB ASP 22 2.260 0.742 2.114
152 2HB ASP 22 3HB ASP 22 0.888 1.633 2.797
153 H GLU 23 H GLU 23 0.395 -0.882 5.024
154 HA GLU 23 HA GLU 23 -2.068 -1.926 5.520
155 1HB GLU 23 2HB GLU 23 -0.531 -0.106 7.410
156 2HB GLU 23 3HB GLU 23 -1.653 -1.396 7.846
157 1HG GLU 23 2HG GLU 23 -0.080 -3.050 6.779
158 2HG GLU 23 3HG GLU 23 1.076 -1.738 6.502
159 H LEU 24 H LEU 24 -1.481 1.599 5.378
160 HA LEU 24 HA LEU 24 -4.039 2.228 6.653
161 1HB LEU 24 2HB LEU 24 -2.068 4.032 5.206
162 2HB LEU 24 3HB LEU 24 -3.420 4.566 6.195
163 HG LEU 24 HG LEU 24 -0.944 3.086 7.176
164 1HD1 LEU 24 1HD1 LEU 24 -1.978 5.902 7.713
165 2HD1 LEU 24 2HD1 LEU 24 -0.488 5.179 8.360
166 3HD1 LEU 24 3HD1 LEU 24 -0.642 5.486 6.623
167 1HD2 LEU 24 1HD2 LEU 24 -3.386 4.050 8.735
168 2HD2 LEU 24 2HD2 LEU 24 -2.840 2.366 8.551
169 3HD2 LEU 24 3HD2 LEU 24 -1.855 3.510 9.462
170 H CYS 25 H CYS 25 -3.324 1.365 3.401
171 HA CYS 25 HA CYS 25 -4.836 3.292 1.997
172 1HB CYS 25 2HB CYS 25 -4.665 1.862 0.153
173 2HB CYS 25 3HB CYS 25 -3.225 1.569 1.140
174 H SER 26 H SER 26 -6.062 0.517 3.796
175 HA SER 26 HA SER 26 -8.650 0.431 2.521
176 1HB SER 26 2HB SER 26 -9.206 -1.194 4.204
177 2HB SER 26 3HB SER 26 -7.585 -1.515 3.580
178 HG SER 26 HG SER 26 -7.664 -1.625 5.886
179 H TYR 27 H TYR 27 -7.367 2.583 4.838
180 HA TYR 27 HA TYR 27 -10.031 3.502 5.809
181 1HB TYR 27 2HB TYR 27 -8.557 3.660 7.561
182 2HB TYR 27 3HB TYR 27 -7.166 3.954 6.544
183 HD1 TYR 27 1HD TYR 27 -6.236 6.061 6.399
184 HD2 TYR 27 2HD TYR 27 -10.333 5.669 7.683
185 HE1 TYR 27 1HE TYR 27 -6.342 8.519 6.756
186 HE2 TYR 27 2HE TYR 27 -10.427 8.130 8.100
187 HH TYR 27 HH TYR 27 -7.632 10.284 7.469
188 H TYR 28 H TYR 28 -7.295 4.612 3.761
189 HA TYR 28 HA TYR 28 -8.630 7.015 2.846
190 1HB TYR 28 2HB TYR 28 -6.126 5.502 2.073
191 2HB TYR 28 3HB TYR 28 -6.684 6.883 1.128
192 HD1 TYR 28 1HD TYR 28 -5.035 5.860 4.223
193 HD2 TYR 28 2HD TYR 28 -6.817 9.153 2.083
194 HE1 TYR 28 1HE TYR 28 -3.814 7.469 5.679
195 HE2 TYR 28 2HE TYR 28 -5.596 10.761 3.538
196 HH TYR 28 HH TYR 28 -4.121 11.019 5.273
197 H GLN 29 H GLN 29 -9.131 3.779 1.891
198 HA GLN 29 HA GLN 29 -10.155 2.737 0.186
199 1HB GLN 29 2HB GLN 29 -11.429 5.343 -0.696
200 2HB GLN 29 3HB GLN 29 -12.021 3.699 -0.898
201 1HG GLN 29 2HG GLN 29 -11.931 5.359 1.640
202 2HG GLN 29 3HG GLN 29 -13.356 4.768 0.782
203 1HE2 GLN 29 2HE2 GLN 29 -11.686 4.276 3.550
204 2HE2 GLN 29 1HE2 GLN 29 -11.827 2.524 3.708
205 H SER 30 H SER 30 -7.531 3.516 -0.246
206 HA SER 30 HA SER 30 -7.358 4.282 -3.137
207 1HB SER 30 2HB SER 30 -5.212 5.342 -2.423
208 2HB SER 30 3HB SER 30 -6.644 6.001 -1.607
209 HG SER 30 HG SER 30 -5.067 5.591 -0.074
210 H CYS 31 H CYS 31 -7.021 1.516 -1.458
211 HA CYS 31 HA CYS 31 -4.463 0.536 -1.709
212 1HB CYS 31 2HB CYS 31 -7.091 -0.970 -2.003
213 2HB CYS 31 3HB CYS 31 -5.521 -1.674 -1.599
214 H CYS 32 H CYS 32 -3.437 -0.996 -2.998
215 HA CYS 32 HA CYS 32 -2.977 -0.760 -5.644
216 1HB CYS 32 2HB CYS 32 -3.286 -3.533 -4.469
217 2HB CYS 32 3HB CYS 32 -2.177 -3.005 -5.720
218 H THR 33 H THR 33 -3.480 -1.791 -7.616
219 HA THR 33 HA THR 33 -6.148 -2.137 -8.389
220 HB THR 33 HB THR 33 -3.721 -3.447 -9.666
221 HG1 THR 33 1HG THR 33 -4.752 -0.815 -9.933
222 1HG2 THR 33 1HG2 THR 33 -4.908 -2.932 -11.789
223 2HG2 THR 33 2HG2 THR 33 -5.809 -4.078 -10.794
224 3HG2 THR 33 3HG2 THR 33 -6.321 -2.376 -10.861
225 H ASP 34 H ASP 34 -4.039 -4.567 -6.928
226 HA ASP 34 HA ASP 34 -6.322 -6.500 -6.856
227 1HB ASP 34 2HB ASP 34 -3.431 -7.072 -7.615
228 2HB ASP 34 3HB ASP 34 -4.628 -8.324 -7.256
229 H TYR 35 H TYR 35 -5.179 -4.617 -4.802
230 HA TYR 35 HA TYR 35 -3.425 -5.408 -2.992
231 1HB TYR 35 2HB TYR 35 -4.710 -3.360 -2.805
232 2HB TYR 35 3HB TYR 35 -6.153 -4.265 -2.358
233 HD1 TYR 35 1HD TYR 35 -2.865 -2.968 -1.168
234 HD2 TYR 35 2HD TYR 35 -6.473 -5.094 -0.104
235 HE1 TYR 35 1HE TYR 35 -2.355 -2.652 1.239
236 HE2 TYR 35 2HE TYR 35 -5.982 -4.717 2.299
237 HH TYR 35 HH TYR 35 -4.600 -3.718 3.818
238 H THR 36 H THR 36 -6.801 -6.763 -2.605
239 HA THR 36 HA THR 36 -6.001 -8.328 -0.324
240 HB THR 36 HB THR 36 -8.262 -9.514 -0.803
241 HG1 THR 36 1HG THR 36 -9.624 -8.283 -2.111
242 1HG2 THR 36 1HG2 THR 36 -9.439 -7.706 0.274
243 2HG2 THR 36 2HG2 THR 36 -7.783 -7.759 0.914
244 3HG2 THR 36 3HG2 THR 36 -8.236 -6.520 -0.281
245 H ALA 37 H ALA 37 -5.426 -8.993 -3.598
246 HA ALA 37 HA ALA 37 -4.914 -11.881 -2.976
247 1HB ALA 37 1HB ALA 37 -6.619 -11.509 -4.722
248 2HB ALA 37 2HB ALA 37 -5.458 -10.531 -5.651
249 3HB ALA 37 3HB ALA 37 -5.157 -12.263 -5.388
250 H GLU 38 H GLU 38 -3.431 -8.861 -3.725
251 HA GLU 38 HA GLU 38 -0.777 -10.179 -4.215
252 1HB GLU 38 2HB GLU 38 -2.114 -7.751 -5.390
253 2HB GLU 38 3HB GLU 38 -0.367 -7.742 -5.219
254 1HG GLU 38 2HG GLU 38 -1.718 -10.066 -6.596
255 2HG GLU 38 3HG GLU 38 -1.416 -8.554 -7.443
256 H CYS 39 H CYS 39 -1.858 -6.910 -3.042
257 HA CYS 39 HA CYS 39 0.675 -6.639 -1.707
258 1HB CYS 39 2HB CYS 39 -1.745 -4.854 -1.527
259 2HB CYS 39 3HB CYS 39 -0.082 -4.411 -1.143
260 H LYS 40 H LYS 40 -2.364 -7.724 -0.576
261 HA LYS 40 HA LYS 40 -2.994 -6.978 1.807
262 1HB LYS 40 2HB LYS 40 -4.036 -8.739 0.626
263 2HB LYS 40 3HB LYS 40 -2.739 -9.861 0.977
264 1HG LYS 40 2HG LYS 40 -3.326 -9.899 3.339
265 2HG LYS 40 3HG LYS 40 -4.453 -8.538 3.123
266 1HD LYS 40 2HD LYS 40 -5.730 -10.595 3.278
267 2HD LYS 40 3HD LYS 40 -5.857 -9.942 1.643
268 1HE LYS 40 2HE LYS 40 -3.915 -11.563 1.033
269 2HE LYS 40 3HE LYS 40 -4.208 -12.320 2.604
270 1HZ LYS 40 1HZ LYS 40 -5.467 -13.439 0.876
271 2HZ LYS 40 2HZ LYS 40 -6.546 -12.671 1.834
272 3HZ LYS 40 3HZ LYS 40 -6.143 -12.044 0.365
273 HA PRO 41 HA PRO 41 1.007 -7.264 3.961
274 1HB PRO 41 2HB PRO 41 0.804 -5.062 5.568
275 2HB PRO 41 3HB PRO 41 0.989 -4.953 3.795
276 1HG PRO 41 2HG PRO 41 -1.619 -4.879 5.358
277 2HG PRO 41 3HG PRO 41 -1.005 -3.679 4.166
278 1HD PRO 41 2HD PRO 41 -2.689 -5.659 3.389
279 2HD PRO 41 3HD PRO 41 -1.323 -5.154 2.363
280 H GLN 42 H GLN 42 -0.815 -9.155 4.699
281 HA GLN 42 HA GLN 42 -0.187 -9.537 7.546
282 1HB GLN 42 2HB GLN 42 -2.472 -10.304 8.108
283 2HB GLN 42 3HB GLN 42 -2.391 -8.580 7.726
284 1HG GLN 42 2HG GLN 42 -3.365 -8.942 5.528
285 2HG GLN 42 3HG GLN 42 -3.299 -10.697 5.729
286 1HE2 GLN 42 2HE2 GLN 42 -5.189 -11.661 6.484
287 2HE2 GLN 42 1HE2 GLN 42 -6.468 -10.769 7.309
288 H VAL 43 H VAL 43 1.000 -10.503 5.277
289 HA VAL 43 HA VAL 43 0.470 -13.445 5.272
290 HB VAL 43 HB VAL 43 0.870 -11.616 2.862
291 1HG1 VAL 43 1HG1 VAL 43 0.659 -13.669 1.479
292 2HG1 VAL 43 2HG1 VAL 43 2.133 -13.657 2.433
293 3HG1 VAL 43 3HG1 VAL 43 0.754 -14.662 2.944
294 1HG2 VAL 43 1HG2 VAL 43 -1.307 -12.543 2.119
295 2HG2 VAL 43 2HG2 VAL 43 -1.440 -13.455 3.640
296 3HG2 VAL 43 3HG2 VAL 43 -1.465 -11.677 3.645
297 H THR 44 H THR 44 2.293 -14.674 5.295
298 HA THR 44 HA THR 44 4.966 -13.414 4.999
299 HB THR 44 HB THR 44 4.246 -13.163 7.340
300 HG1 THR 44 1HG THR 44 6.355 -14.994 6.947
301 1HG2 THR 44 1HG2 THR 44 4.134 -15.073 8.863
302 2HG2 THR 44 2HG2 THR 44 2.840 -15.142 7.661
303 3HG2 THR 44 3HG2 THR 44 4.255 -16.205 7.502
304 H ARG 45 H ARG 45 3.578 -15.163 3.328
305 HA ARG 45 HA ARG 45 5.517 -17.381 2.976
306 1HB ARG 45 2HB ARG 45 2.488 -17.747 3.220
307 2HB ARG 45 3HB ARG 45 3.549 -18.931 2.456
308 1HG ARG 45 2HG ARG 45 4.758 -19.306 4.547
309 2HG ARG 45 3HG ARG 45 3.768 -18.074 5.360
310 1HD ARG 45 2HD ARG 45 2.881 -20.263 5.907
311 2HD ARG 45 3HD ARG 45 1.737 -19.365 4.930
312 HE ARG 45 HE ARG 45 1.989 -20.855 3.147
313 1HH1 ARG 45 1HH2 ARG 45 4.345 -21.687 5.611
314 2HH1 ARG 45 2HH2 ARG 45 4.634 -23.269 4.941
315 1HH2 ARG 45 1HH1 ARG 45 2.394 -22.971 2.351
316 2HH2 ARG 45 2HH1 ARG 45 3.579 -23.937 3.170
317 H GLY 46 H GLY 46 5.343 -18.356 0.865
318 1HA GLY 46 2HA GLY 46 4.223 -16.613 -1.297
319 2HA GLY 46 3HA GLY 46 5.480 -17.840 -1.485
320 H ASP 47 H ASP 47 2.853 -18.777 0.524
321 HA ASP 47 HA ASP 47 1.280 -20.209 -1.506
322 1HB ASP 47 2HB ASP 47 3.192 -21.686 -1.266
323 2HB ASP 47 3HB ASP 47 3.166 -21.528 0.489
324 H VAL 48 H VAL 48 -0.712 -20.793 -0.737
325 HA VAL 48 HA VAL 48 -1.903 -19.251 1.271
326 HB VAL 48 HB VAL 48 -2.914 -21.824 -0.009
327 1HG1 VAL 48 1HG1 VAL 48 -4.460 -19.600 1.401
328 2HG1 VAL 48 2HG1 VAL 48 -5.187 -20.900 0.434
329 3HG1 VAL 48 3HG1 VAL 48 -4.334 -21.301 1.919
330 1HG2 VAL 48 1HG2 VAL 48 -2.364 -20.105 -1.698
331 2HG2 VAL 48 2HG2 VAL 48 -4.110 -20.283 -1.552
332 3HG2 VAL 48 3HG2 VAL 48 -3.300 -18.897 -0.790
333 H PHE 49 H PHE 49 -2.686 -19.578 3.302
334 HA PHE 49 HA PHE 49 -2.245 -22.097 4.759
335 1HB PHE 49 2HB PHE 49 -0.985 -21.112 6.529
336 2HB PHE 49 3HB PHE 49 -0.144 -20.817 5.017
337 HD1 PHE 49 1HD PHE 49 -0.381 -18.457 3.926
338 HD2 PHE 49 2HD PHE 49 -1.495 -19.323 8.004
339 HE1 PHE 49 1HE PHE 49 -0.252 -16.045 4.480
340 HE2 PHE 49 2HE PHE 49 -1.336 -16.912 8.556
341 HZ PHE 49 HZ PHE 49 -0.719 -15.264 6.798
342 H THR 50 H THR 50 -3.020 -21.588 7.212
343 HA THR 50 HA THR 50 -5.834 -21.339 7.023
344 HB THR 50 HB THR 50 -5.719 -21.264 9.568
345 HG1 THR 50 1HG THR 50 -3.702 -21.703 10.456
346 1HG2 THR 50 1HG2 THR 50 -4.179 -23.493 8.159
347 2HG2 THR 50 2HG2 THR 50 -4.965 -23.592 9.752
348 3HG2 THR 50 3HG2 THR 50 -5.947 -23.375 8.296
349 H MET 51 H MET 51 -7.320 -19.905 7.833
350 HA MET 51 HA MET 51 -6.610 -17.140 8.533
351 1HB MET 51 2HB MET 51 -7.842 -16.185 6.623
352 2HB MET 51 3HB MET 51 -6.410 -17.075 6.110
353 1HG MET 51 2HG MET 51 -7.829 -19.011 5.487
354 2HG MET 51 3HG MET 51 -9.271 -18.109 5.991
355 1HE MET 51 1HE MET 51 -8.850 -19.554 3.161
356 2HE MET 51 2HE MET 51 -10.340 -18.711 3.641
357 3HE MET 51 3HE MET 51 -9.573 -18.342 2.081
Start of MODEL 19
1 1H ASP 1 1H ASP 1 -0.401 -0.218 -20.508
2 2H ASP 1 2H ASP 1 0.473 0.820 -19.594
3 3H ASP 1 3H ASP 1 0.870 0.588 -21.170
4 HA ASP 1 HA ASP 1 1.431 -1.719 -20.735
5 1HB ASP 1 2HB ASP 1 2.932 0.358 -19.084
6 2HB ASP 1 3HB ASP 1 3.505 -1.288 -19.402
7 H GLN 2 H GLN 2 1.621 -3.450 -19.285
8 HA GLN 2 HA GLN 2 -0.238 -3.445 -17.056
9 1HB GLN 2 2HB GLN 2 1.828 -5.515 -17.921
10 2HB GLN 2 3HB GLN 2 0.550 -5.773 -16.735
11 1HG GLN 2 2HG GLN 2 0.160 -5.220 -19.711
12 2HG GLN 2 3HG GLN 2 -0.060 -6.756 -18.885
13 1HE2 GLN 2 2HE2 GLN 2 -1.868 -6.878 -17.224
14 2HE2 GLN 2 1HE2 GLN 2 -3.262 -5.828 -17.485
15 H GLU 3 H GLU 3 0.138 -3.555 -14.873
16 HA GLU 3 HA GLU 3 2.818 -3.545 -13.707
17 1HB GLU 3 2HB GLU 3 2.539 -1.181 -14.395
18 2HB GLU 3 3HB GLU 3 0.988 -1.106 -13.554
19 1HG GLU 3 2HG GLU 3 2.703 0.049 -12.314
20 2HG GLU 3 3HG GLU 3 2.118 -1.310 -11.386
21 H SER 4 H SER 4 2.747 -3.670 -11.367
22 HA SER 4 HA SER 4 0.198 -4.097 -9.962
23 1HB SER 4 2HB SER 4 0.589 -6.366 -9.311
24 2HB SER 4 3HB SER 4 0.686 -6.321 -11.080
25 HG SER 4 HG SER 4 2.897 -6.457 -10.959
26 H CYS 5 H CYS 5 0.790 -4.964 -7.640
27 HA CYS 5 HA CYS 5 2.658 -3.168 -6.352
28 1HB CYS 5 2HB CYS 5 0.508 -4.027 -5.448
29 2HB CYS 5 3HB CYS 5 1.187 -5.659 -5.396
30 H LYS 6 H LYS 6 3.341 -6.075 -8.062
31 HA LYS 6 HA LYS 6 4.839 -7.479 -6.144
32 1HB LYS 6 2HB LYS 6 3.901 -8.172 -8.486
33 2HB LYS 6 3HB LYS 6 5.426 -7.576 -9.127
34 1HG LYS 6 2HG LYS 6 5.495 -9.987 -8.830
35 2HG LYS 6 3HG LYS 6 6.648 -9.221 -7.730
36 1HD LYS 6 2HD LYS 6 5.394 -11.148 -6.755
37 2HD LYS 6 3HD LYS 6 5.393 -9.662 -5.825
38 1HE LYS 6 2HE LYS 6 3.248 -10.549 -5.690
39 2HE LYS 6 3HE LYS 6 3.108 -9.115 -6.691
40 1HZ LYS 6 1HZ LYS 6 3.056 -10.591 -8.652
41 2HZ LYS 6 2HZ LYS 6 3.157 -11.916 -7.693
42 3HZ LYS 6 3HZ LYS 6 1.838 -10.951 -7.618
43 H GLY 7 H GLY 7 6.801 -7.472 -5.400
44 1HA GLY 7 2HA GLY 7 9.030 -6.922 -5.050
45 2HA GLY 7 3HA GLY 7 9.008 -5.850 -6.458
46 H ARG 8 H ARG 8 6.353 -4.903 -4.619
47 HA ARG 8 HA ARG 8 7.926 -2.800 -3.138
48 1HB ARG 8 2HB ARG 8 5.672 -2.544 -5.158
49 2HB ARG 8 3HB ARG 8 6.100 -1.236 -4.063
50 1HG ARG 8 2HG ARG 8 8.144 -0.822 -5.030
51 2HG ARG 8 3HG ARG 8 8.333 -2.438 -5.700
52 1HD ARG 8 2HD ARG 8 6.210 -0.517 -6.697
53 2HD ARG 8 3HD ARG 8 7.865 -0.592 -7.340
54 HE ARG 8 HE ARG 8 6.818 -3.235 -7.386
55 1HH1 ARG 8 1HH1 ARG 8 6.310 -0.206 -9.085
56 2HH1 ARG 8 2HH1 ARG 8 5.808 -1.027 -10.553
57 1HH2 ARG 8 1HH2 ARG 8 6.132 -4.176 -9.228
58 2HH2 ARG 8 2HH2 ARG 8 5.501 -3.179 -10.544
59 H CYS 9 H CYS 9 4.940 -4.705 -3.104
60 HA CYS 9 HA CYS 9 3.367 -3.522 -1.353
61 1HB CYS 9 2HB CYS 9 4.109 -6.446 -1.046
62 2HB CYS 9 3HB CYS 9 2.547 -5.679 -0.715
63 H THR 10 H THR 10 2.935 -3.182 0.686
64 HA THR 10 HA THR 10 3.183 -2.596 2.811
65 HB THR 10 HB THR 10 5.093 -4.856 3.401
66 HG1 THR 10 1HG THR 10 3.430 -5.723 2.152
67 1HG2 THR 10 1HG2 THR 10 2.710 -3.656 4.903
68 2HG2 THR 10 2HG2 THR 10 3.705 -5.018 5.457
69 3HG2 THR 10 3HG2 THR 10 4.418 -3.410 5.324
70 H GLU 11 H GLU 11 4.965 -1.401 0.851
71 HA GLU 11 HA GLU 11 7.458 -0.704 2.117
72 1HB GLU 11 2HB GLU 11 7.463 1.202 0.555
73 2HB GLU 11 3HB GLU 11 7.234 -0.343 -0.236
74 1HG GLU 11 2HG GLU 11 4.871 0.101 -0.609
75 2HG GLU 11 3HG GLU 11 4.918 1.518 0.447
76 H GLY 12 H GLY 12 4.237 0.347 2.816
77 1HA GLY 12 2HA GLY 12 3.755 1.610 4.835
78 2HA GLY 12 3HA GLY 12 5.215 2.570 4.582
79 H PHE 13 H PHE 13 2.799 3.750 5.058
80 HA PHE 13 HA PHE 13 1.238 4.428 2.752
81 1HB PHE 13 2HB PHE 13 0.263 4.439 4.903
82 2HB PHE 13 3HB PHE 13 1.521 5.489 5.575
83 HD1 PHE 13 1HD PHE 13 1.073 7.774 5.797
84 HD2 PHE 13 2HD PHE 13 -1.174 5.434 2.941
85 HE1 PHE 13 1HE PHE 13 -0.402 9.724 5.361
86 HE2 PHE 13 2HE PHE 13 -2.640 7.376 2.516
87 HZ PHE 13 HZ PHE 13 -2.264 9.525 3.734
88 H ASN 14 H ASN 14 1.301 6.032 1.324
89 HA ASN 14 HA ASN 14 2.437 8.615 1.837
90 1HB ASN 14 2HB ASN 14 4.545 7.423 1.242
91 2HB ASN 14 3HB ASN 14 3.848 6.966 -0.318
92 1HD2 ASN 14 2HD2 ASN 14 6.250 8.405 -0.137
93 2HD2 ASN 14 1HD2 ASN 14 5.947 10.032 -0.746
94 H VAL 15 H VAL 15 0.320 9.251 1.392
95 HA VAL 15 HA VAL 15 -1.254 8.243 -0.680
96 HB VAL 15 HB VAL 15 -1.874 9.375 1.473
97 1HG1 VAL 15 1HG1 VAL 15 -2.105 11.872 -0.191
98 2HG1 VAL 15 2HG1 VAL 15 -2.626 11.613 1.493
99 3HG1 VAL 15 3HG1 VAL 15 -0.901 11.585 1.094
100 1HG2 VAL 15 1HG2 VAL 15 -3.623 9.849 -0.929
101 2HG2 VAL 15 2HG2 VAL 15 -3.456 8.329 -0.008
102 3HG2 VAL 15 3HG2 VAL 15 -4.124 9.765 0.774
103 H ASP 16 H ASP 16 1.257 10.420 -1.245
104 HA ASP 16 HA ASP 16 0.158 11.740 -3.598
105 1HB ASP 16 2HB ASP 16 2.115 12.557 -2.284
106 2HB ASP 16 3HB ASP 16 3.034 11.147 -2.838
107 H LYS 17 H LYS 17 1.497 8.534 -2.976
108 HA LYS 17 HA LYS 17 2.225 7.957 -5.741
109 1HB LYS 17 2HB LYS 17 1.903 6.114 -3.326
110 2HB LYS 17 3HB LYS 17 2.551 5.640 -4.907
111 1HG LYS 17 2HG LYS 17 4.314 7.452 -4.641
112 2HG LYS 17 3HG LYS 17 3.764 7.645 -2.960
113 1HD LYS 17 2HD LYS 17 4.275 5.239 -2.537
114 2HD LYS 17 3HD LYS 17 4.812 5.072 -4.228
115 1HE LYS 17 2HE LYS 17 6.503 6.910 -3.788
116 2HE LYS 17 3HE LYS 17 6.041 6.846 -2.076
117 1HZ LYS 17 1HZ LYS 17 6.698 4.452 -2.115
118 2HZ LYS 17 2HZ LYS 17 7.217 4.617 -3.649
119 3HZ LYS 17 3HZ LYS 17 7.961 5.443 -2.453
120 H LYS 18 H LYS 18 1.323 6.552 -7.169
121 HA LYS 18 HA LYS 18 -1.531 6.618 -7.494
122 1HB LYS 18 2HB LYS 18 0.784 5.389 -9.001
123 2HB LYS 18 3HB LYS 18 -0.855 4.881 -9.392
124 1HG LYS 18 2HG LYS 18 -0.305 6.588 -10.908
125 2HG LYS 18 3HG LYS 18 -1.498 7.259 -9.784
126 1HD LYS 18 2HD LYS 18 0.351 8.383 -8.540
127 2HD LYS 18 3HD LYS 18 1.523 7.753 -9.701
128 1HE LYS 18 2HE LYS 18 -0.835 9.575 -10.383
129 2HE LYS 18 3HE LYS 18 0.804 10.145 -10.066
130 1HZ LYS 18 1HZ LYS 18 0.434 9.911 -12.436
131 2HZ LYS 18 2HZ LYS 18 1.568 8.835 -11.977
132 3HZ LYS 18 3HZ LYS 18 0.041 8.337 -12.296
133 H CYS 19 H CYS 19 0.347 4.330 -5.755
134 HA CYS 19 HA CYS 19 -2.160 2.823 -5.189
135 1HB CYS 19 2HB CYS 19 -0.919 1.312 -6.665
136 2HB CYS 19 3HB CYS 19 0.552 1.546 -5.710
137 H GLN 20 H GLN 20 -2.554 2.763 -3.117
138 HA GLN 20 HA GLN 20 -0.405 3.206 -1.094
139 1HB GLN 20 2HB GLN 20 -3.414 2.857 -0.841
140 2HB GLN 20 3HB GLN 20 -2.296 3.157 0.506
141 1HG GLN 20 2HG GLN 20 -3.032 5.049 -1.746
142 2HG GLN 20 3HG GLN 20 -3.253 5.285 -0.009
143 1HE2 GLN 20 2HE2 GLN 20 -1.208 6.025 -2.689
144 2HE2 GLN 20 1HE2 GLN 20 0.163 6.558 -1.713
145 H CYS 21 H CYS 21 0.677 1.368 -1.935
146 HA CYS 21 HA CYS 21 -0.533 -1.308 -1.761
147 1HB CYS 21 2HB CYS 21 2.122 -0.114 -2.628
148 2HB CYS 21 3HB CYS 21 1.896 -1.852 -2.463
149 H ASP 22 H ASP 22 -0.796 -0.239 0.673
150 HA ASP 22 HA ASP 22 1.091 -1.598 2.503
151 1HB ASP 22 2HB ASP 22 1.678 0.440 3.642
152 2HB ASP 22 3HB ASP 22 2.020 0.685 1.928
153 H GLU 23 H GLU 23 0.491 -0.909 4.840
154 HA GLU 23 HA GLU 23 -1.882 -2.242 5.455
155 1HB GLU 23 2HB GLU 23 -0.267 -0.416 7.278
156 2HB GLU 23 3HB GLU 23 -1.316 -1.750 7.766
157 1HG GLU 23 2HG GLU 23 0.215 -3.326 6.514
158 2HG GLU 23 3HG GLU 23 1.315 -1.968 6.234
159 H LEU 24 H LEU 24 -1.650 1.230 4.901
160 HA LEU 24 HA LEU 24 -4.159 1.736 6.482
161 1HB LEU 24 2HB LEU 24 -2.041 3.657 5.456
162 2HB LEU 24 3HB LEU 24 -3.456 4.093 6.407
163 HG LEU 24 HG LEU 24 -1.121 2.386 7.364
164 1HD1 LEU 24 1HD1 LEU 24 -0.699 4.280 8.861
165 2HD1 LEU 24 2HD1 LEU 24 -0.673 4.817 7.175
166 3HD1 LEU 24 3HD1 LEU 24 -2.092 5.157 8.186
167 1HD2 LEU 24 1HD2 LEU 24 -2.219 2.560 9.606
168 2HD2 LEU 24 2HD2 LEU 24 -3.660 3.251 8.824
169 3HD2 LEU 24 3HD2 LEU 24 -3.151 1.583 8.472
170 H CYS 25 H CYS 25 -3.519 0.937 3.419
171 HA CYS 25 HA CYS 25 -4.431 2.984 1.803
172 1HB CYS 25 2HB CYS 25 -4.460 1.349 0.107
173 2HB CYS 25 3HB CYS 25 -3.202 0.908 1.271
174 H SER 26 H SER 26 -6.535 0.581 3.409
175 HA SER 26 HA SER 26 -8.826 1.097 1.743
176 1HB SER 26 2HB SER 26 -10.026 -0.298 3.347
177 2HB SER 26 3HB SER 26 -8.488 -1.029 2.875
178 HG SER 26 HG SER 26 -8.835 -1.114 5.159
179 H TYR 27 H TYR 27 -7.681 2.513 4.741
180 HA TYR 27 HA TYR 27 -9.962 4.142 5.387
181 1HB TYR 27 2HB TYR 27 -8.429 3.733 7.083
182 2HB TYR 27 3HB TYR 27 -7.042 4.050 6.075
183 HD1 TYR 27 1HD TYR 27 -9.988 5.901 7.553
184 HD2 TYR 27 2HD TYR 27 -5.845 5.972 6.361
185 HE1 TYR 27 1HE TYR 27 -9.749 8.193 8.503
186 HE2 TYR 27 2HE TYR 27 -5.610 8.271 7.278
187 HH TYR 27 HH TYR 27 -8.350 9.970 8.871
188 H TYR 28 H TYR 28 -7.612 4.399 2.835
189 HA TYR 28 HA TYR 28 -8.673 7.089 2.048
190 1HB TYR 28 2HB TYR 28 -6.066 5.668 1.392
191 2HB TYR 28 3HB TYR 28 -6.612 7.134 0.578
192 HD1 TYR 28 1HD TYR 28 -5.021 5.817 3.570
193 HD2 TYR 28 2HD TYR 28 -6.965 9.260 1.842
194 HE1 TYR 28 1HE TYR 28 -4.008 7.268 5.314
195 HE2 TYR 28 2HE TYR 28 -5.968 10.710 3.600
196 HH TYR 28 HH TYR 28 -4.631 10.810 5.452
197 H GLN 29 H GLN 29 -9.321 3.924 1.410
198 HA GLN 29 HA GLN 29 -9.966 2.641 -0.335
199 1HB GLN 29 2HB GLN 29 -11.299 5.196 -1.316
200 2HB GLN 29 3HB GLN 29 -11.733 3.539 -1.723
201 1HG GLN 29 2HG GLN 29 -13.325 4.092 -0.140
202 2HG GLN 29 3HG GLN 29 -12.151 3.162 0.794
203 1HE2 GLN 29 2HE2 GLN 29 -11.521 4.137 2.736
204 2HE2 GLN 29 1HE2 GLN 29 -11.694 5.866 3.065
205 H SER 30 H SER 30 -7.345 3.565 -0.684
206 HA SER 30 HA SER 30 -7.060 3.955 -3.655
207 1HB SER 30 2HB SER 30 -5.501 5.209 -1.369
208 2HB SER 30 3HB SER 30 -5.048 5.330 -3.083
209 HG SER 30 HG SER 30 -7.471 6.255 -1.901
210 H CYS 31 H CYS 31 -6.881 1.459 -1.903
211 HA CYS 31 HA CYS 31 -4.217 0.427 -1.913
212 1HB CYS 31 2HB CYS 31 -6.822 -1.086 -2.311
213 2HB CYS 31 3HB CYS 31 -5.302 -1.686 -1.637
214 H CYS 32 H CYS 32 -3.197 -1.122 -3.371
215 HA CYS 32 HA CYS 32 -3.432 -0.981 -6.128
216 1HB CYS 32 2HB CYS 32 -2.733 -3.606 -5.871
217 2HB CYS 32 3HB CYS 32 -1.620 -2.271 -5.700
218 H THR 33 H THR 33 -4.401 -2.245 -7.746
219 HA THR 33 HA THR 33 -7.179 -2.599 -7.536
220 HB THR 33 HB THR 33 -6.991 -3.779 -9.755
221 HG1 THR 33 1HG THR 33 -5.051 -4.783 -9.657
222 1HG2 THR 33 1HG2 THR 33 -6.140 -1.850 -10.972
223 2HG2 THR 33 2HG2 THR 33 -7.116 -1.308 -9.597
224 3HG2 THR 33 3HG2 THR 33 -5.341 -1.225 -9.514
225 H ASP 34 H ASP 34 -4.796 -4.866 -6.597
226 HA ASP 34 HA ASP 34 -6.839 -6.981 -6.100
227 1HB ASP 34 2HB ASP 34 -4.044 -7.339 -7.267
228 2HB ASP 34 3HB ASP 34 -5.126 -8.653 -6.785
229 H TYR 35 H TYR 35 -5.681 -4.896 -4.291
230 HA TYR 35 HA TYR 35 -3.529 -5.536 -2.779
231 1HB TYR 35 2HB TYR 35 -4.704 -3.505 -2.399
232 2HB TYR 35 3HB TYR 35 -6.147 -4.366 -1.846
233 HD1 TYR 35 1HD TYR 35 -6.302 -5.256 0.413
234 HD2 TYR 35 2HD TYR 35 -2.713 -3.244 -0.900
235 HE1 TYR 35 1HE TYR 35 -5.497 -5.157 2.758
236 HE2 TYR 35 2HE TYR 35 -1.907 -3.173 1.444
237 HH TYR 35 HH TYR 35 -3.836 -4.476 4.169
238 H THR 36 H THR 36 -6.748 -6.941 -1.963
239 HA THR 36 HA THR 36 -5.774 -8.462 0.246
240 HB THR 36 HB THR 36 -7.990 -9.765 -0.148
241 HG1 THR 36 1HG THR 36 -9.448 -8.613 -1.425
242 1HG2 THR 36 1HG2 THR 36 -9.236 -7.976 0.916
243 2HG2 THR 36 2HG2 THR 36 -7.578 -7.984 1.547
244 3HG2 THR 36 3HG2 THR 36 -8.066 -6.763 0.348
245 H ALA 37 H ALA 37 -5.246 -9.134 -3.030
246 HA ALA 37 HA ALA 37 -4.725 -12.030 -2.452
247 1HB ALA 37 1HB ALA 37 -5.517 -10.685 -5.066
248 2HB ALA 37 2HB ALA 37 -5.207 -12.418 -4.827
249 3HB ALA 37 3HB ALA 37 -6.588 -11.647 -4.020
250 H GLU 38 H GLU 38 -3.351 -9.056 -3.837
251 HA GLU 38 HA GLU 38 -0.804 -10.513 -4.467
252 1HB GLU 38 2HB GLU 38 -2.096 -8.038 -5.667
253 2HB GLU 38 3HB GLU 38 -0.468 -8.589 -6.066
254 1HG GLU 38 2HG GLU 38 -3.025 -10.181 -6.530
255 2HG GLU 38 3HG GLU 38 -2.151 -9.261 -7.746
256 H CYS 39 H CYS 39 -2.050 -7.912 -2.433
257 HA CYS 39 HA CYS 39 0.758 -7.052 -1.898
258 1HB CYS 39 2HB CYS 39 -1.507 -5.220 -1.386
259 2HB CYS 39 3HB CYS 39 0.135 -4.846 -1.806
260 H LYS 40 H LYS 40 -2.055 -8.323 -0.498
261 HA LYS 40 HA LYS 40 -2.301 -7.284 1.960
262 1HB LYS 40 2HB LYS 40 -3.757 -8.904 0.902
263 2HB LYS 40 3HB LYS 40 -2.613 -10.197 1.206
264 1HG LYS 40 2HG LYS 40 -2.934 -9.900 3.660
265 2HG LYS 40 3HG LYS 40 -3.991 -8.508 3.348
266 1HD LYS 40 2HD LYS 40 -5.388 -10.423 3.822
267 2HD LYS 40 3HD LYS 40 -5.558 -10.003 2.117
268 1HE LYS 40 2HE LYS 40 -3.659 -11.822 1.763
269 2HE LYS 40 3HE LYS 40 -4.106 -12.355 3.385
270 1HZ LYS 40 1HZ LYS 40 -6.413 -12.606 2.521
271 2HZ LYS 40 2HZ LYS 40 -5.901 -12.158 1.022
272 3HZ LYS 40 3HZ LYS 40 -5.363 -13.547 1.695
273 HA PRO 41 HA PRO 41 1.520 -8.149 4.321
274 1HB PRO 41 2HB PRO 41 -0.531 -7.499 6.450
275 2HB PRO 41 3HB PRO 41 1.184 -6.986 6.351
276 1HG PRO 41 2HG PRO 41 -0.820 -5.303 5.611
277 2HG PRO 41 3HG PRO 41 0.689 -5.401 4.641
278 1HD PRO 41 2HD PRO 41 -2.006 -6.585 4.018
279 2HD PRO 41 3HD PRO 41 -0.761 -5.906 2.940
280 H GLN 42 H GLN 42 2.082 -9.570 6.191
281 HA GLN 42 HA GLN 42 1.114 -12.217 5.826
282 1HB GLN 42 2HB GLN 42 3.424 -11.545 6.441
283 2HB GLN 42 3HB GLN 42 2.860 -11.152 8.077
284 1HG GLN 42 2HG GLN 42 2.113 -13.532 8.347
285 2HG GLN 42 3HG GLN 42 2.708 -13.897 6.726
286 1HE2 GLN 42 2HE2 GLN 42 3.579 -15.204 9.177
287 2HE2 GLN 42 1HE2 GLN 42 5.292 -14.821 9.348
288 H VAL 43 H VAL 43 -1.109 -12.187 6.180
289 HA VAL 43 HA VAL 43 -1.989 -12.548 9.014
290 HB VAL 43 HB VAL 43 -3.591 -11.078 6.869
291 1HG1 VAL 43 1HG1 VAL 43 -4.993 -12.315 8.497
292 2HG1 VAL 43 2HG1 VAL 43 -4.120 -11.546 9.842
293 3HG1 VAL 43 3HG1 VAL 43 -5.125 -10.574 8.747
294 1HG2 VAL 43 1HG2 VAL 43 -2.184 -9.942 9.322
295 2HG2 VAL 43 2HG2 VAL 43 -1.807 -9.586 7.620
296 3HG2 VAL 43 3HG2 VAL 43 -3.348 -9.068 8.297
297 H THR 44 H THR 44 -2.516 -14.643 9.145
298 HA THR 44 HA THR 44 -4.088 -16.000 7.005
299 HB THR 44 HB THR 44 -2.573 -17.931 7.066
300 HG1 THR 44 1HG THR 44 -0.523 -17.662 8.054
301 1HG2 THR 44 1HG2 THR 44 -2.143 -16.166 5.346
302 2HG2 THR 44 2HG2 THR 44 -0.935 -15.442 6.435
303 3HG2 THR 44 3HG2 THR 44 -0.697 -17.081 5.806
304 H ARG 45 H ARG 45 -5.005 -18.064 7.681
305 HA ARG 45 HA ARG 45 -6.032 -18.077 10.397
306 1HB ARG 45 2HB ARG 45 -7.250 -18.870 8.338
307 2HB ARG 45 3HB ARG 45 -6.167 -20.263 8.275
308 1HG ARG 45 2HG ARG 45 -6.988 -20.928 10.583
309 2HG ARG 45 3HG ARG 45 -8.070 -19.523 10.544
310 1HD ARG 45 2HD ARG 45 -9.403 -21.353 9.971
311 2HD ARG 45 3HD ARG 45 -9.104 -20.529 8.435
312 HE ARG 45 HE ARG 45 -7.113 -22.363 8.367
313 1HH1 ARG 45 1HH2 ARG 45 -10.489 -22.899 9.192
314 2HH1 ARG 45 2HH2 ARG 45 -10.414 -24.578 8.731
315 1HH2 ARG 45 1HH1 ARG 45 -7.089 -24.483 7.815
316 2HH2 ARG 45 2HH1 ARG 45 -8.544 -25.443 7.962
317 H GLY 46 H GLY 46 -3.425 -19.817 8.794
318 1HA GLY 46 2HA GLY 46 -1.655 -20.368 10.659
319 2HA GLY 46 3HA GLY 46 -2.887 -21.517 11.186
320 H ASP 47 H ASP 47 -3.511 -21.820 8.148
321 HA ASP 47 HA ASP 47 -2.279 -24.302 7.763
322 1HB ASP 47 2HB ASP 47 -3.728 -22.524 5.760
323 2HB ASP 47 3HB ASP 47 -3.513 -24.271 5.630
324 H VAL 48 H VAL 48 -0.132 -22.280 7.876
325 HA VAL 48 HA VAL 48 1.193 -22.641 5.208
326 HB VAL 48 HB VAL 48 1.254 -20.114 6.895
327 1HG1 VAL 48 1HG1 VAL 48 2.546 -20.782 4.206
328 2HG1 VAL 48 2HG1 VAL 48 2.512 -19.177 4.969
329 3HG1 VAL 48 3HG1 VAL 48 3.407 -20.487 5.734
330 1HG2 VAL 48 1HG2 VAL 48 0.151 -19.099 4.894
331 2HG2 VAL 48 2HG2 VAL 48 -0.028 -20.719 4.194
332 3HG2 VAL 48 3HG2 VAL 48 -0.874 -20.291 5.697
333 H PHE 49 H PHE 49 2.311 -24.394 5.871
334 HA PHE 49 HA PHE 49 3.553 -24.791 8.349
335 1HB PHE 49 2HB PHE 49 4.424 -26.024 5.719
336 2HB PHE 49 3HB PHE 49 4.544 -26.731 7.332
337 HD1 PHE 49 1HD PHE 49 2.150 -26.904 8.617
338 HD2 PHE 49 2HD PHE 49 2.700 -26.801 4.337
339 HE1 PHE 49 1HE PHE 49 -0.075 -27.964 8.300
340 HE2 PHE 49 2HE PHE 49 0.479 -27.862 4.027
341 HZ PHE 49 HZ PHE 49 -0.914 -28.441 6.006
342 H THR 50 H THR 50 4.755 -22.794 5.801
343 HA THR 50 HA THR 50 7.598 -23.062 6.449
344 HB THR 50 HB THR 50 7.832 -21.249 4.722
345 HG1 THR 50 1HG THR 50 5.984 -20.731 3.550
346 1HG2 THR 50 1HG2 THR 50 6.144 -23.627 3.820
347 2HG2 THR 50 2HG2 THR 50 7.234 -22.643 2.818
348 3HG2 THR 50 3HG2 THR 50 7.898 -23.663 4.105
349 H MET 51 H MET 51 5.118 -21.303 7.940
350 HA MET 51 HA MET 51 6.393 -18.820 8.589
351 1HB MET 51 2HB MET 51 4.339 -20.481 10.098
352 2HB MET 51 3HB MET 51 4.872 -18.869 10.595
353 1HG MET 51 2HG MET 51 4.176 -17.986 8.357
354 2HG MET 51 3HG MET 51 3.459 -19.561 7.997
355 1HE MET 51 1HE MET 51 0.533 -19.735 10.664
356 2HE MET 51 2HE MET 51 1.288 -20.550 9.279
357 3HE MET 51 3HE MET 51 2.161 -20.416 10.823
Start of MODEL 20
1 1H ASP 1 1H ASP 1 0.006 0.910 -19.118
2 2H ASP 1 2H ASP 1 1.387 0.665 -19.963
3 3H ASP 1 3H ASP 1 0.519 -0.613 -19.423
4 HA ASP 1 HA ASP 1 2.453 -0.325 -18.041
5 1HB ASP 1 2HB ASP 1 2.712 2.098 -18.493
6 2HB ASP 1 3HB ASP 1 1.284 2.435 -17.498
7 H GLN 2 H GLN 2 2.225 -1.419 -16.159
8 HA GLN 2 HA GLN 2 -0.188 -1.123 -14.467
9 1HB GLN 2 2HB GLN 2 0.700 -3.761 -15.726
10 2HB GLN 2 3HB GLN 2 -0.471 -3.607 -14.413
11 1HG GLN 2 2HG GLN 2 -1.918 -2.201 -15.916
12 2HG GLN 2 3HG GLN 2 -0.814 -2.557 -17.248
13 1HE2 GLN 2 2HE2 GLN 2 -3.660 -3.617 -15.735
14 2HE2 GLN 2 1HE2 GLN 2 -3.658 -5.253 -16.397
15 H GLU 3 H GLU 3 0.048 -2.223 -12.387
16 HA GLU 3 HA GLU 3 2.817 -2.860 -11.498
17 1HB GLU 3 2HB GLU 3 1.035 -0.720 -10.251
18 2HB GLU 3 3HB GLU 3 2.525 -1.361 -9.535
19 1HG GLU 3 2HG GLU 3 3.796 -0.571 -11.545
20 2HG GLU 3 3HG GLU 3 2.319 0.205 -12.137
21 H SER 4 H SER 4 2.838 -3.657 -9.215
22 HA SER 4 HA SER 4 0.403 -4.970 -8.209
23 1HB SER 4 2HB SER 4 1.206 -7.202 -8.432
24 2HB SER 4 3HB SER 4 1.366 -6.458 -10.032
25 HG SER 4 HG SER 4 3.265 -7.542 -9.554
26 H CYS 5 H CYS 5 1.166 -6.527 -6.327
27 HA CYS 5 HA CYS 5 2.376 -5.192 -4.175
28 1HB CYS 5 2HB CYS 5 1.005 -7.187 -3.979
29 2HB CYS 5 3HB CYS 5 2.156 -8.130 -4.922
30 H LYS 6 H LYS 6 4.026 -6.879 -6.861
31 HA LYS 6 HA LYS 6 6.374 -7.536 -5.349
32 1HB LYS 6 2HB LYS 6 5.883 -7.385 -8.347
33 2HB LYS 6 3HB LYS 6 7.399 -7.952 -7.615
34 1HG LYS 6 2HG LYS 6 6.150 -9.718 -6.382
35 2HG LYS 6 3HG LYS 6 4.640 -9.170 -7.132
36 1HD LYS 6 2HD LYS 6 5.427 -11.131 -8.273
37 2HD LYS 6 3HD LYS 6 5.537 -9.746 -9.371
38 1HE LYS 6 2HE LYS 6 7.976 -9.579 -8.898
39 2HE LYS 6 3HE LYS 6 7.855 -10.934 -7.768
40 1HZ LYS 6 1HZ LYS 6 7.285 -11.087 -10.683
41 2HZ LYS 6 2HZ LYS 6 8.624 -11.664 -9.952
42 3HZ LYS 6 3HZ LYS 6 7.174 -12.341 -9.640
43 H GLY 7 H GLY 7 7.893 -6.309 -4.636
44 1HA GLY 7 2HA GLY 7 9.436 -4.604 -4.398
45 2HA GLY 7 3HA GLY 7 9.041 -4.014 -6.021
46 H ARG 8 H ARG 8 6.225 -4.287 -4.055
47 HA ARG 8 HA ARG 8 6.368 -1.417 -3.167
48 1HB ARG 8 2HB ARG 8 4.053 -2.695 -4.679
49 2HB ARG 8 3HB ARG 8 4.080 -1.099 -3.944
50 1HG ARG 8 2HG ARG 8 6.183 -0.686 -5.483
51 2HG ARG 8 3HG ARG 8 5.544 -2.066 -6.392
52 1HD ARG 8 2HD ARG 8 4.680 -0.095 -7.387
53 2HD ARG 8 3HD ARG 8 3.321 -0.829 -6.513
54 HE ARG 8 HE ARG 8 3.992 0.824 -4.608
55 1HH1 ARG 8 1HH2 ARG 8 4.306 1.846 -7.999
56 2HH1 ARG 8 2HH2 ARG 8 4.510 3.500 -7.493
57 1HH2 ARG 8 1HH1 ARG 8 4.322 2.774 -4.121
58 2HH2 ARG 8 2HH1 ARG 8 4.511 4.042 -5.330
59 H CYS 9 H CYS 9 4.811 -4.579 -2.601
60 HA CYS 9 HA CYS 9 3.094 -3.958 -0.541
61 1HB CYS 9 2HB CYS 9 4.844 -6.320 -1.123
62 2HB CYS 9 3HB CYS 9 4.026 -6.217 0.449
63 H THR 10 H THR 10 3.164 -2.998 1.301
64 HA THR 10 HA THR 10 3.738 -2.139 3.279
65 HB THR 10 HB THR 10 6.116 -3.948 3.623
66 HG1 THR 10 1HG THR 10 4.708 -5.570 4.239
67 1HG2 THR 10 1HG2 THR 10 3.849 -3.107 5.498
68 2HG2 THR 10 2HG2 THR 10 5.271 -4.078 5.935
69 3HG2 THR 10 3HG2 THR 10 5.465 -2.380 5.490
70 H GLU 11 H GLU 11 4.900 -1.003 0.808
71 HA GLU 11 HA GLU 11 7.500 0.044 1.308
72 1HB GLU 11 2HB GLU 11 6.984 1.679 -0.392
73 2HB GLU 11 3HB GLU 11 6.557 0.059 -0.913
74 1HG GLU 11 2HG GLU 11 4.128 0.613 -0.408
75 2HG GLU 11 3HG GLU 11 4.642 2.244 0.041
76 H GLY 12 H GLY 12 4.647 0.897 2.929
77 1HA GLY 12 2HA GLY 12 4.407 2.458 4.676
78 2HA GLY 12 3HA GLY 12 5.775 3.397 4.093
79 H PHE 13 H PHE 13 2.822 3.900 4.712
80 HA PHE 13 HA PHE 13 1.482 4.660 2.314
81 1HB PHE 13 2HB PHE 13 0.130 4.213 4.148
82 2HB PHE 13 3HB PHE 13 1.104 5.196 5.258
83 HD1 PHE 13 1HD PHE 13 -1.387 5.316 2.479
84 HD2 PHE 13 2HD PHE 13 0.656 7.538 5.565
85 HE1 PHE 13 1HE PHE 13 -2.950 7.212 2.162
86 HE2 PHE 13 2HE PHE 13 -0.893 9.445 5.221
87 HZ PHE 13 HZ PHE 13 -2.693 9.286 3.518
88 H ASN 14 H ASN 14 1.351 6.408 1.178
89 HA ASN 14 HA ASN 14 1.822 9.084 2.076
90 1HB ASN 14 2HB ASN 14 4.191 8.634 1.680
91 2HB ASN 14 3HB ASN 14 3.825 7.871 0.125
92 1HD2 ASN 14 2HD2 ASN 14 5.557 9.493 -0.534
93 2HD2 ASN 14 1HD2 ASN 14 4.946 11.067 -1.032
94 H VAL 15 H VAL 15 -0.191 9.569 1.336
95 HA VAL 15 HA VAL 15 -1.458 8.240 -0.757
96 HB VAL 15 HB VAL 15 -2.443 9.276 1.210
97 1HG1 VAL 15 1HG1 VAL 15 -1.561 11.538 1.068
98 2HG1 VAL 15 2HG1 VAL 15 -2.613 11.845 -0.344
99 3HG1 VAL 15 3HG1 VAL 15 -3.317 11.459 1.254
100 1HG2 VAL 15 1HG2 VAL 15 -3.953 9.805 -1.333
101 2HG2 VAL 15 2HG2 VAL 15 -3.753 8.225 -0.524
102 3HG2 VAL 15 3HG2 VAL 15 -4.608 9.535 0.298
103 H ASP 16 H ASP 16 0.846 10.611 -1.280
104 HA ASP 16 HA ASP 16 -0.074 11.603 -3.858
105 1HB ASP 16 2HB ASP 16 1.582 12.742 -2.381
106 2HB ASP 16 3HB ASP 16 2.711 11.409 -2.673
107 H LYS 17 H LYS 17 1.464 8.610 -2.810
108 HA LYS 17 HA LYS 17 2.758 7.867 -5.290
109 1HB LYS 17 2HB LYS 17 1.751 6.182 -2.957
110 2HB LYS 17 3HB LYS 17 2.726 5.554 -4.280
111 1HG LYS 17 2HG LYS 17 4.641 6.808 -3.618
112 2HG LYS 17 3HG LYS 17 3.712 7.779 -2.450
113 1HD LYS 17 2HD LYS 17 3.250 5.857 -1.067
114 2HD LYS 17 3HD LYS 17 3.920 4.742 -2.257
115 1HE LYS 17 2HE LYS 17 5.595 6.877 -0.865
116 2HE LYS 17 3HE LYS 17 5.336 5.253 -0.200
117 1HZ LYS 17 1HZ LYS 17 6.283 4.320 -2.220
118 2HZ LYS 17 2HZ LYS 17 6.612 5.816 -2.821
119 3HZ LYS 17 3HZ LYS 17 7.369 5.288 -1.470
120 H LYS 18 H LYS 18 2.133 6.513 -6.940
121 HA LYS 18 HA LYS 18 -0.585 6.473 -7.740
122 1HB LYS 18 2HB LYS 18 1.341 6.467 -9.273
123 2HB LYS 18 3HB LYS 18 1.735 4.813 -8.788
124 1HG LYS 18 2HG LYS 18 0.632 4.848 -10.956
125 2HG LYS 18 3HG LYS 18 -0.411 4.033 -9.781
126 1HD LYS 18 2HD LYS 18 -1.703 6.182 -9.522
127 2HD LYS 18 3HD LYS 18 -0.676 6.913 -10.771
128 1HE LYS 18 2HE LYS 18 -1.413 5.169 -12.386
129 2HE LYS 18 3HE LYS 18 -2.434 4.443 -11.138
130 1HZ LYS 18 1HZ LYS 18 -3.706 6.522 -11.063
131 2HZ LYS 18 2HZ LYS 18 -2.761 7.196 -12.215
132 3HZ LYS 18 3HZ LYS 18 -3.712 5.923 -12.579
133 H CYS 19 H CYS 19 1.139 4.093 -5.855
134 HA CYS 19 HA CYS 19 -1.453 2.660 -5.462
135 1HB CYS 19 2HB CYS 19 0.015 1.112 -6.743
136 2HB CYS 19 3HB CYS 19 1.281 1.325 -5.522
137 H GLN 20 H GLN 20 -2.051 2.590 -3.414
138 HA GLN 20 HA GLN 20 -0.098 3.189 -1.235
139 1HB GLN 20 2HB GLN 20 -3.113 2.794 -1.171
140 2HB GLN 20 3HB GLN 20 -2.080 3.258 0.200
141 1HG GLN 20 2HG GLN 20 -2.724 4.903 -2.269
142 2HG GLN 20 3HG GLN 20 -3.124 5.257 -0.580
143 1HE2 GLN 20 2HE2 GLN 20 -1.074 6.302 -2.995
144 2HE2 GLN 20 1HE2 GLN 20 0.200 6.858 -1.901
145 H CYS 21 H CYS 21 0.969 1.160 -2.104
146 HA CYS 21 HA CYS 21 -0.356 -1.416 -1.630
147 1HB CYS 21 2HB CYS 21 2.424 -0.538 -2.466
148 2HB CYS 21 3HB CYS 21 1.969 -2.225 -2.262
149 H ASP 22 H ASP 22 -0.524 -0.044 0.736
150 HA ASP 22 HA ASP 22 1.433 -1.279 2.599
151 1HB ASP 22 2HB ASP 22 2.276 0.967 1.842
152 2HB ASP 22 3HB ASP 22 0.802 1.702 2.500
153 H GLU 23 H GLU 23 0.891 -0.882 4.862
154 HA GLU 23 HA GLU 23 -1.447 -2.198 5.507
155 1HB GLU 23 2HB GLU 23 0.229 -0.513 7.396
156 2HB GLU 23 3HB GLU 23 -0.723 -1.946 7.794
157 1HG GLU 23 2HG GLU 23 0.791 -3.311 6.325
158 2HG GLU 23 3HG GLU 23 1.801 -1.880 6.072
159 H LEU 24 H LEU 24 -1.400 1.202 4.997
160 HA LEU 24 HA LEU 24 -3.853 1.652 6.680
161 1HB LEU 24 2HB LEU 24 -1.803 3.601 5.565
162 2HB LEU 24 3HB LEU 24 -3.240 4.058 6.473
163 HG LEU 24 HG LEU 24 -0.936 2.395 7.569
164 1HD1 LEU 24 1HD1 LEU 24 -1.777 5.273 8.110
165 2HD1 LEU 24 2HD1 LEU 24 -0.448 4.399 8.905
166 3HD1 LEU 24 3HD1 LEU 24 -0.357 4.760 7.175
167 1HD2 LEU 24 1HD2 LEU 24 -3.018 1.790 8.719
168 2HD2 LEU 24 2HD2 LEU 24 -2.034 2.802 9.777
169 3HD2 LEU 24 3HD2 LEU 24 -3.433 3.506 8.932
170 H CYS 25 H CYS 25 -3.151 0.960 3.483
171 HA CYS 25 HA CYS 25 -4.431 3.077 2.104
172 1HB CYS 25 2HB CYS 25 -4.256 1.662 0.208
173 2HB CYS 25 3HB CYS 25 -2.840 1.393 1.250
174 H SER 26 H SER 26 -5.921 0.170 3.534
175 HA SER 26 HA SER 26 -8.307 0.248 1.949
176 1HB SER 26 2HB SER 26 -9.167 -1.388 3.499
177 2HB SER 26 3HB SER 26 -7.489 -1.756 3.092
178 HG SER 26 HG SER 26 -7.879 -1.919 5.361
179 H TYR 27 H TYR 27 -7.387 1.922 4.871
180 HA TYR 27 HA TYR 27 -9.942 3.084 5.552
181 1HB TYR 27 2HB TYR 27 -8.411 3.025 7.270
182 2HB TYR 27 3HB TYR 27 -7.057 3.454 6.262
183 HD1 TYR 27 1HD TYR 27 -6.196 5.597 6.202
184 HD2 TYR 27 2HD TYR 27 -10.134 4.932 7.828
185 HE1 TYR 27 1HE TYR 27 -6.269 7.964 6.972
186 HE2 TYR 27 2HE TYR 27 -10.201 7.293 8.628
187 HH TYR 27 HH TYR 27 -9.097 9.294 8.752
188 H TYR 28 H TYR 28 -7.652 3.780 3.008
189 HA TYR 28 HA TYR 28 -9.087 6.299 2.265
190 1HB TYR 28 2HB TYR 28 -6.362 5.178 1.528
191 2HB TYR 28 3HB TYR 28 -7.100 6.557 0.714
192 HD1 TYR 28 1HD TYR 28 -5.187 5.506 3.622
193 HD2 TYR 28 2HD TYR 28 -7.635 8.655 1.963
194 HE1 TYR 28 1HE TYR 28 -4.206 7.124 5.231
195 HE2 TYR 28 2HE TYR 28 -6.648 10.273 3.586
196 HH TYR 28 HH TYR 28 -4.159 9.297 5.971
197 H GLN 29 H GLN 29 -9.078 3.015 1.482
198 HA GLN 29 HA GLN 29 -9.674 1.716 -0.238
199 1HB GLN 29 2HB GLN 29 -11.513 3.987 -1.076
200 2HB GLN 29 3HB GLN 29 -11.627 2.291 -1.528
201 1HG GLN 29 2HG GLN 29 -13.227 2.454 0.125
202 2HG GLN 29 3HG GLN 29 -11.850 1.763 0.987
203 1HE2 GLN 29 2HE2 GLN 29 -11.437 2.762 2.962
204 2HE2 GLN 29 1HE2 GLN 29 -11.904 4.426 3.343
205 H SER 30 H SER 30 -7.275 3.106 -0.684
206 HA SER 30 HA SER 30 -7.204 3.528 -3.650
207 1HB SER 30 2HB SER 30 -5.487 5.251 -3.160
208 2HB SER 30 3HB SER 30 -7.075 5.607 -2.446
209 HG SER 30 HG SER 30 -5.400 5.933 -0.939
210 H CYS 31 H CYS 31 -6.488 1.119 -1.884
211 HA CYS 31 HA CYS 31 -3.719 0.527 -2.059
212 1HB CYS 31 2HB CYS 31 -6.031 -1.425 -2.278
213 2HB CYS 31 3HB CYS 31 -4.411 -1.682 -1.603
214 H CYS 32 H CYS 32 -2.707 -1.243 -3.470
215 HA CYS 32 HA CYS 32 -2.853 -1.054 -6.198
216 1HB CYS 32 2HB CYS 32 -2.396 -3.746 -5.996
217 2HB CYS 32 3HB CYS 32 -1.176 -2.500 -5.834
218 H THR 33 H THR 33 -3.766 -2.147 -7.908
219 HA THR 33 HA THR 33 -6.479 -2.293 -8.081
220 HB THR 33 HB THR 33 -4.649 -4.016 -9.782
221 HG1 THR 33 1HG THR 33 -4.259 -2.132 -10.951
222 1HG2 THR 33 1HG2 THR 33 -7.030 -4.179 -10.403
223 2HG2 THR 33 2HG2 THR 33 -7.163 -2.406 -10.436
224 3HG2 THR 33 3HG2 THR 33 -6.149 -3.258 -11.624
225 H ASP 34 H ASP 34 -4.470 -4.970 -6.996
226 HA ASP 34 HA ASP 34 -6.920 -6.608 -6.476
227 1HB ASP 34 2HB ASP 34 -4.212 -7.569 -7.476
228 2HB ASP 34 3HB ASP 34 -5.560 -8.612 -6.991
229 H TYR 35 H TYR 35 -5.109 -4.754 -4.748
230 HA TYR 35 HA TYR 35 -3.500 -5.756 -2.915
231 1HB TYR 35 2HB TYR 35 -4.324 -3.495 -2.791
232 2HB TYR 35 3HB TYR 35 -5.931 -4.058 -2.345
233 HD1 TYR 35 1HD TYR 35 -2.439 -3.556 -1.108
234 HD2 TYR 35 2HD TYR 35 -6.488 -4.653 -0.070
235 HE1 TYR 35 1HE TYR 35 -1.881 -3.324 1.294
236 HE2 TYR 35 2HE TYR 35 -5.943 -4.343 2.330
237 HH TYR 35 HH TYR 35 -4.373 -3.704 3.856
238 H THR 36 H THR 36 -7.032 -6.205 -2.257
239 HA THR 36 HA THR 36 -6.560 -7.656 0.085
240 HB THR 36 HB THR 36 -9.129 -8.125 -1.392
241 HG1 THR 36 1HG THR 36 -9.789 -6.030 -0.902
242 1HG2 THR 36 1HG2 THR 36 -8.914 -8.836 0.972
243 2HG2 THR 36 2HG2 THR 36 -8.403 -7.198 1.434
244 3HG2 THR 36 3HG2 THR 36 -10.057 -7.494 0.846
245 H ALA 37 H ALA 37 -6.107 -8.884 -3.041
246 HA ALA 37 HA ALA 37 -6.119 -11.694 -1.996
247 1HB ALA 37 1HB ALA 37 -7.858 -11.344 -3.703
248 2HB ALA 37 2HB ALA 37 -6.634 -10.717 -4.834
249 3HB ALA 37 3HB ALA 37 -6.573 -12.411 -4.302
250 H GLU 38 H GLU 38 -4.288 -9.226 -3.770
251 HA GLU 38 HA GLU 38 -2.019 -11.147 -4.138
252 1HB GLU 38 2HB GLU 38 -2.773 -8.667 -5.713
253 2HB GLU 38 3HB GLU 38 -1.406 -9.727 -6.054
254 1HG GLU 38 2HG GLU 38 -4.350 -10.495 -6.211
255 2HG GLU 38 3HG GLU 38 -3.281 -10.167 -7.567
256 H CYS 39 H CYS 39 -2.737 -8.123 -2.517
257 HA CYS 39 HA CYS 39 0.183 -7.847 -1.950
258 1HB CYS 39 2HB CYS 39 -1.624 -5.508 -1.656
259 2HB CYS 39 3HB CYS 39 0.095 -5.533 -1.927
260 H LYS 40 H LYS 40 -2.803 -8.507 -0.537
261 HA LYS 40 HA LYS 40 -3.133 -7.198 1.714
262 1HB LYS 40 2HB LYS 40 -4.591 -8.895 0.790
263 2HB LYS 40 3HB LYS 40 -3.547 -10.180 1.409
264 1HG LYS 40 2HG LYS 40 -4.018 -9.543 3.702
265 2HG LYS 40 3HG LYS 40 -4.860 -8.063 3.179
266 1HD LYS 40 2HD LYS 40 -6.646 -9.365 2.163
267 2HD LYS 40 3HD LYS 40 -5.775 -10.886 2.472
268 1HE LYS 40 2HE LYS 40 -5.876 -10.437 4.902
269 2HE LYS 40 3HE LYS 40 -6.778 -8.945 4.609
270 1HZ LYS 40 1HZ LYS 40 -8.593 -10.245 3.709
271 2HZ LYS 40 2HZ LYS 40 -7.742 -11.640 3.799
272 3HZ LYS 40 3HZ LYS 40 -8.205 -10.890 5.167
273 HA PRO 41 HA PRO 41 0.324 -8.358 4.522
274 1HB PRO 41 2HB PRO 41 0.451 -6.046 5.909
275 2HB PRO 41 3HB PRO 41 1.001 -6.121 4.210
276 1HG PRO 41 2HG PRO 41 -1.637 -5.084 5.273
277 2HG PRO 41 3HG PRO 41 -0.568 -4.365 4.021
278 1HD PRO 41 2HD PRO 41 -2.788 -6.018 3.544
279 2HD PRO 41 3HD PRO 41 -1.480 -5.686 2.374
280 H GLN 42 H GLN 42 0.241 -7.955 7.086
281 HA GLN 42 HA GLN 42 -0.616 -9.098 8.922
282 1HB GLN 42 2HB GLN 42 -2.449 -6.683 8.694
283 2HB GLN 42 3HB GLN 42 -2.003 -7.570 10.166
284 1HG GLN 42 2HG GLN 42 0.418 -6.907 9.686
285 2HG GLN 42 3HG GLN 42 -0.206 -5.833 8.427
286 1HE2 GLN 42 2HE2 GLN 42 1.066 -4.304 10.053
287 2HE2 GLN 42 1HE2 GLN 42 0.162 -3.767 11.498
288 H VAL 43 H VAL 43 -1.475 -10.936 7.581
289 HA VAL 43 HA VAL 43 -3.985 -11.245 6.586
290 HB VAL 43 HB VAL 43 -2.175 -12.823 6.285
291 1HG1 VAL 43 1HG1 VAL 43 -1.385 -13.072 8.634
292 2HG1 VAL 43 2HG1 VAL 43 -2.850 -14.006 9.008
293 3HG1 VAL 43 3HG1 VAL 43 -1.678 -14.620 7.829
294 1HG2 VAL 43 1HG2 VAL 43 -4.502 -13.460 5.702
295 2HG2 VAL 43 2HG2 VAL 43 -3.482 -14.844 6.118
296 3HG2 VAL 43 3HG2 VAL 43 -4.668 -14.248 7.291
297 H THR 44 H THR 44 -6.000 -11.650 7.137
298 HA THR 44 HA THR 44 -6.897 -11.150 9.841
299 HB THR 44 HB THR 44 -9.184 -11.368 8.735
300 HG1 THR 44 1HG THR 44 -8.627 -12.606 6.967
301 1HG2 THR 44 1HG2 THR 44 -7.211 -9.395 7.505
302 2HG2 THR 44 2HG2 THR 44 -8.984 -9.247 7.537
303 3HG2 THR 44 3HG2 THR 44 -8.065 -9.191 9.050
304 H ARG 45 H ARG 45 -5.668 -13.153 10.530
305 HA ARG 45 HA ARG 45 -6.326 -15.810 10.039
306 1HB ARG 45 2HB ARG 45 -4.401 -15.018 11.341
307 2HB ARG 45 3HB ARG 45 -5.468 -14.482 12.645
308 1HG ARG 45 2HG ARG 45 -6.137 -16.829 13.082
309 2HG ARG 45 3HG ARG 45 -5.082 -17.378 11.755
310 1HD ARG 45 2HD ARG 45 -3.114 -16.540 12.951
311 2HD ARG 45 3HD ARG 45 -4.148 -15.830 14.209
312 HE ARG 45 HE ARG 45 -4.693 -18.637 13.977
313 1HH1 ARG 45 1HH2 ARG 45 -2.188 -16.544 15.251
314 2HH1 ARG 45 2HH2 ARG 45 -1.732 -17.688 16.483
315 1HH2 ARG 45 1HH1 ARG 45 -4.068 -20.045 15.576
316 2HH2 ARG 45 2HH1 ARG 45 -2.771 -19.619 16.653
317 H GLY 46 H GLY 46 -8.082 -13.656 12.195
318 1HA GLY 46 2HA GLY 46 -10.568 -14.384 12.368
319 2HA GLY 46 3HA GLY 46 -9.908 -15.849 13.108
320 H ASP 47 H ASP 47 -7.768 -14.485 14.520
321 HA ASP 47 HA ASP 47 -9.149 -12.663 16.436
322 1HB ASP 47 2HB ASP 47 -8.954 -15.066 17.233
323 2HB ASP 47 3HB ASP 47 -7.202 -14.882 17.177
324 H VAL 48 H VAL 48 -7.163 -12.476 14.131
325 HA VAL 48 HA VAL 48 -5.474 -10.346 15.267
326 HB VAL 48 HB VAL 48 -4.312 -12.477 13.410
327 1HG1 VAL 48 1HG1 VAL 48 -3.361 -10.249 12.978
328 2HG1 VAL 48 2HG1 VAL 48 -3.043 -10.025 14.716
329 3HG1 VAL 48 3HG1 VAL 48 -2.174 -11.264 13.789
330 1HG2 VAL 48 1HG2 VAL 48 -2.754 -12.996 15.280
331 2HG2 VAL 48 2HG2 VAL 48 -3.700 -11.931 16.344
332 3HG2 VAL 48 3HG2 VAL 48 -4.424 -13.409 15.670
333 H PHE 49 H PHE 49 -5.532 -8.622 13.927
334 HA PHE 49 HA PHE 49 -6.191 -8.798 11.075
335 1HB PHE 49 2HB PHE 49 -8.256 -7.468 11.247
336 2HB PHE 49 3HB PHE 49 -8.413 -9.046 12.009
337 HD1 PHE 49 1HD PHE 49 -8.591 -9.264 14.483
338 HD2 PHE 49 2HD PHE 49 -8.386 -5.410 12.562
339 HE1 PHE 49 1HE PHE 49 -9.342 -8.174 16.584
340 HE2 PHE 49 2HE PHE 49 -9.132 -4.321 14.665
341 HZ PHE 49 HZ PHE 49 -9.606 -5.701 16.682
342 H THR 50 H THR 50 -5.471 -6.764 13.903
343 HA THR 50 HA THR 50 -3.986 -4.885 12.139
344 HB THR 50 HB THR 50 -5.906 -4.038 14.344
345 HG1 THR 50 1HG THR 50 -6.931 -2.969 12.632
346 1HG2 THR 50 1HG2 THR 50 -4.045 -2.383 12.573
347 2HG2 THR 50 2HG2 THR 50 -5.330 -1.714 13.607
348 3HG2 THR 50 3HG2 THR 50 -3.958 -2.540 14.343
349 H MET 51 H MET 51 -2.032 -4.481 12.868
350 HA MET 51 HA MET 51 -1.220 -4.790 15.721
351 1HB MET 51 2HB MET 51 0.145 -6.033 13.293
352 2HB MET 51 3HB MET 51 0.810 -5.992 14.927
353 1HG MET 51 2HG MET 51 -1.093 -7.324 15.755
354 2HG MET 51 3HG MET 51 -1.760 -7.412 14.116
355 1HE MET 51 1HE MET 51 0.633 -7.999 12.174
356 2HE MET 51 2HE MET 51 0.626 -9.774 12.211
357 3HE MET 51 3HE MET 51 -0.912 -8.883 12.203