Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
9122 | 1ne5 RC | 5652 | cing | recoord | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1HT ASP 1 -10.101 14.931 -2.311
2 2H ASP 1 2HT ASP 1 -11.638 15.496 -2.827
3 3H ASP 1 3HT ASP 1 -10.212 16.056 -3.600
4 HA ASP 1 HA ASP 1 -11.062 13.244 -3.562
5 1HB ASP 1 2HB ASP 1 -11.801 15.550 -5.313
6 2HB ASP 1 1HB ASP 1 -11.574 13.973 -6.066
7 H ARG 2 H ARG 2 -8.479 13.990 -2.992
8 HA ARG 2 HA ARG 2 -7.092 12.995 -5.347
9 1HB ARG 2 2HB ARG 2 -6.480 15.641 -4.041
10 2HB ARG 2 1HB ARG 2 -5.288 14.768 -4.994
11 1HG ARG 2 2HG ARG 2 -6.706 14.893 -6.948
12 2HG ARG 2 1HG ARG 2 -7.976 15.673 -6.005
13 1HD ARG 2 2HD ARG 2 -5.723 17.227 -5.542
14 2HD ARG 2 1HD ARG 2 -5.623 16.814 -7.254
15 HE ARG 2 HE ARG 2 -8.227 17.621 -6.790
16 1HH1 ARG 2 1HH1 ARG 2 -5.038 19.020 -6.567
17 2HH1 ARG 2 2HH1 ARG 2 -5.584 20.629 -6.899
18 1HH2 ARG 2 1HH2 ARG 2 -8.948 19.736 -7.227
19 2HH2 ARG 2 2HH2 ARG 2 -7.804 21.036 -7.274
20 H ASP 3 H ASP 3 -7.616 11.559 -3.114
21 HA ASP 3 HA ASP 3 -5.639 11.712 -1.097
22 1HB ASP 3 2HB ASP 3 -7.939 10.173 -1.588
23 2HB ASP 3 1HB ASP 3 -6.616 9.018 -1.470
24 H SER 4 H SER 4 -6.010 8.998 -3.366
25 HA SER 4 HA SER 4 -4.486 7.666 -4.403
26 1HB SER 4 2HB SER 4 -3.919 10.189 -5.204
27 2HB SER 4 1HB SER 4 -2.375 9.739 -4.479
28 HG SER 4 HG SER 4 -3.080 9.163 -6.855
29 H CYS 5 H CYS 5 -4.005 6.203 -2.812
30 HA CYS 5 HA CYS 5 -2.307 6.709 -0.615
31 1HB CYS 5 2HB CYS 5 -3.113 4.108 -1.927
32 2HB CYS 5 1HB CYS 5 -2.239 4.217 -0.402
33 H VAL 6 H VAL 6 -1.680 5.856 -3.913
34 HA VAL 6 HA VAL 6 0.793 4.633 -3.774
35 HB VAL 6 HB VAL 6 0.110 6.689 -5.842
36 1HG1 VAL 6 1HG1 VAL 6 1.315 4.687 -7.159
37 2HG1 VAL 6 2HG1 VAL 6 2.083 4.519 -5.581
38 3HG1 VAL 6 3HG1 VAL 6 2.186 6.048 -6.453
39 1HG2 VAL 6 1HG2 VAL 6 -1.356 4.332 -5.186
40 2HG2 VAL 6 2HG2 VAL 6 -0.589 4.112 -6.759
41 3HG2 VAL 6 3HG2 VAL 6 -1.650 5.493 -6.481
42 H ASP 7 H ASP 7 0.039 8.091 -3.709
43 HA ASP 7 HA ASP 7 2.865 8.652 -3.127
44 1HB ASP 7 2HB ASP 7 1.505 9.823 -5.033
45 2HB ASP 7 1HB ASP 7 0.844 10.788 -3.716
46 H LYS 8 H LYS 8 0.821 7.620 -1.217
47 HA LYS 8 HA LYS 8 1.112 9.749 0.789
48 1HB LYS 8 2HB LYS 8 -1.298 9.115 -0.293
49 2HB LYS 8 1HB LYS 8 -1.252 8.003 1.067
50 1HG LYS 8 2HG LYS 8 -2.366 10.042 1.700
51 2HG LYS 8 1HG LYS 8 -0.845 9.891 2.581
52 1HD LYS 8 2HD LYS 8 -0.456 11.992 1.906
53 2HD LYS 8 1HD LYS 8 -0.087 11.270 0.338
54 1HE LYS 8 2HE LYS 8 -1.629 12.851 -0.278
55 2HE LYS 8 1HE LYS 8 -2.679 11.462 -0.008
56 1HZ LYS 8 1HZ LYS 8 -3.609 12.404 1.796
57 2HZ LYS 8 2HZ LYS 8 -3.102 13.847 1.075
58 3HZ LYS 8 3HZ LYS 8 -2.176 13.147 2.305
59 H SER 9 H SER 9 0.276 6.308 0.372
60 HA SER 9 HA SER 9 1.512 5.712 2.953
61 1HB SER 9 2HB SER 9 -0.735 4.772 2.409
62 2HB SER 9 1HB SER 9 0.005 3.857 1.096
63 HG SER 9 HG SER 9 1.293 2.803 2.656
64 H ARG 10 H ARG 10 3.519 4.968 3.097
65 HA ARG 10 HA ARG 10 5.152 4.554 0.833
66 1HB ARG 10 2HB ARG 10 5.607 5.001 3.494
67 2HB ARG 10 1HB ARG 10 6.068 3.310 3.336
68 1HG ARG 10 2HG ARG 10 7.502 4.049 1.367
69 2HG ARG 10 1HG ARG 10 7.225 5.697 1.934
70 1HD ARG 10 2HD ARG 10 8.325 5.296 3.971
71 2HD ARG 10 1HD ARG 10 8.267 3.547 3.752
72 HE ARG 10 HE ARG 10 10.210 3.688 2.569
73 1HH1 ARG 10 1HH1 ARG 10 8.726 6.847 2.619
74 2HH1 ARG 10 2HH1 ARG 10 10.063 7.624 1.838
75 1HH2 ARG 10 1HH2 ARG 10 11.969 4.710 1.542
76 2HH2 ARG 10 2HH2 ARG 10 11.904 6.411 1.227
77 H CYS 11 H CYS 11 6.664 2.303 1.419
78 HA CYS 11 HA CYS 11 5.200 -0.064 1.775
79 1HB CYS 11 2HB CYS 11 4.354 0.929 -0.512
80 2HB CYS 11 1HB CYS 11 5.863 0.271 -1.127
81 H ALA 12 H ALA 12 6.476 -2.004 0.810
82 HA ALA 12 HA ALA 12 9.272 -1.557 1.464
83 1HB ALA 12 1HB ALA 12 8.797 -3.480 2.525
84 2HB ALA 12 2HB ALA 12 9.074 -4.222 0.949
85 3HB ALA 12 3HB ALA 12 7.431 -3.841 1.468
86 H LYS 13 H LYS 13 10.737 -3.231 0.088
87 HA LYS 13 HA LYS 13 11.276 -2.066 -2.324
88 1HB LYS 13 2HB LYS 13 12.573 -3.871 -0.971
89 2HB LYS 13 1HB LYS 13 11.710 -5.012 -1.989
90 1HG LYS 13 2HG LYS 13 12.657 -3.995 -3.978
91 2HG LYS 13 1HG LYS 13 13.479 -2.790 -2.986
92 1HD LYS 13 2HD LYS 13 14.751 -4.578 -1.885
93 2HD LYS 13 1HD LYS 13 13.939 -5.773 -2.899
94 1HE LYS 13 2HE LYS 13 15.214 -5.302 -4.691
95 2HE LYS 13 1HE LYS 13 15.203 -3.569 -4.368
96 1HZ LYS 13 1HZ LYS 13 16.964 -5.629 -3.176
97 2HZ LYS 13 2HZ LYS 13 16.810 -4.079 -2.518
98 3HZ LYS 13 3HZ LYS 13 17.410 -4.274 -4.086
99 H TYR 14 H TYR 14 9.272 -4.968 -1.824
100 HA TYR 14 HA TYR 14 7.399 -4.368 -3.776
101 1HB TYR 14 2HB TYR 14 8.170 -6.220 -5.453
102 2HB TYR 14 1HB TYR 14 8.835 -4.596 -5.577
103 HD1 TYR 14 1HD TYR 14 9.632 -7.610 -3.503
104 HD2 TYR 14 2HD TYR 14 11.056 -4.622 -6.176
105 HE1 TYR 14 1HE TYR 14 11.902 -8.539 -3.323
106 HE2 TYR 14 2HE TYR 14 13.330 -5.543 -6.004
107 HH TYR 14 HH TYR 14 14.132 -8.324 -5.192
108 H GLY 15 H GLY 15 5.959 -6.188 -4.289
109 1HA GLY 15 2HA GLY 15 5.493 -8.581 -3.863
110 2HA GLY 15 1HA GLY 15 6.203 -8.341 -2.274
111 H TYR 16 H TYR 16 4.564 -8.696 -0.904
112 HA TYR 16 HA TYR 16 2.042 -7.250 -1.378
113 1HB TYR 16 2HB TYR 16 2.007 -9.798 -1.296
114 2HB TYR 16 1HB TYR 16 2.382 -9.650 0.416
115 HD1 TYR 16 1HD TYR 16 0.768 -7.982 1.727
116 HD2 TYR 16 2HD TYR 16 -0.214 -9.979 -1.898
117 HE1 TYR 16 1HE TYR 16 -1.623 -7.714 2.234
118 HE2 TYR 16 2HE TYR 16 -2.607 -9.716 -1.401
119 HH TYR 16 HH TYR 16 -3.892 -9.275 1.285
120 H TYR 17 H TYR 17 1.779 -5.529 -0.139
121 HA TYR 17 HA TYR 17 2.928 -5.553 2.576
122 1HB TYR 17 2HB TYR 17 3.955 -3.920 0.943
123 2HB TYR 17 1HB TYR 17 2.403 -3.097 0.894
124 HD1 TYR 17 1HD TYR 17 3.057 -1.006 1.792
125 HD2 TYR 17 2HD TYR 17 3.944 -4.584 3.919
126 HE1 TYR 17 1HE TYR 17 3.706 0.327 3.752
127 HE2 TYR 17 2HE TYR 17 4.592 -3.260 5.886
128 HH TYR 17 HH TYR 17 3.943 0.093 6.142
129 H GLN 18 H GLN 18 1.307 -5.995 3.923
130 HA GLN 18 HA GLN 18 -1.385 -5.757 3.561
131 1HB GLN 18 2HB GLN 18 0.108 -6.655 5.574
132 2HB GLN 18 1HB GLN 18 -0.364 -5.115 6.281
133 1HG GLN 18 2HG GLN 18 -2.671 -5.669 6.149
134 2HG GLN 18 1HG GLN 18 -2.332 -7.097 5.172
135 1HE2 GLN 18 1HE2 GLN 18 -3.592 -6.575 7.890
136 2HE2 GLN 18 2HE2 GLN 18 -2.816 -7.715 8.930
137 H GLU 19 H GLU 19 0.848 -3.202 4.373
138 HA GLU 19 HA GLU 19 -1.040 -1.311 5.290
139 1HB GLU 19 2HB GLU 19 1.690 -1.389 5.106
140 2HB GLU 19 1HB GLU 19 1.283 -0.227 3.852
141 1HG GLU 19 2HG GLU 19 1.081 1.337 5.395
142 2HG GLU 19 1HG GLU 19 -0.264 0.445 6.102
143 H CYS 20 H CYS 20 0.344 -1.936 2.088
144 HA CYS 20 HA CYS 20 -1.009 0.162 0.763
145 1HB CYS 20 2HB CYS 20 1.026 -1.138 -0.051
146 2HB CYS 20 1HB CYS 20 -0.095 -2.412 -0.518
147 H GLN 21 H GLN 21 -1.647 -3.352 0.763
148 HA GLN 21 HA GLN 21 -4.001 -3.303 -0.695
149 1HB GLN 21 2HB GLN 21 -4.507 -5.472 0.265
150 2HB GLN 21 1HB GLN 21 -2.794 -5.361 -0.111
151 1HG GLN 21 2HG GLN 21 -2.261 -5.838 1.958
152 2HG GLN 21 1HG GLN 21 -3.221 -4.497 2.569
153 1HE2 GLN 21 1HE2 GLN 21 -5.714 -5.077 2.268
154 2HE2 GLN 21 2HE2 GLN 21 -6.157 -6.584 2.987
155 H ASP 22 H ASP 22 -3.456 -2.554 2.672
156 HA ASP 22 HA ASP 22 -6.179 -2.624 3.485
157 1HB ASP 22 2HB ASP 22 -3.612 -1.720 4.641
158 2HB ASP 22 1HB ASP 22 -5.048 -0.904 5.253
159 H CYS 23 H CYS 23 -4.016 -0.034 2.397
160 HA CYS 23 HA CYS 23 -5.736 2.128 2.762
161 1HB CYS 23 2HB CYS 23 -3.208 1.901 1.945
162 2HB CYS 23 1HB CYS 23 -3.980 2.107 0.385
163 H CYS 24 H CYS 24 -5.077 0.395 -0.271
164 HA CYS 24 HA CYS 24 -6.977 1.574 -1.874
165 1HB CYS 24 2HB CYS 24 -5.190 -0.128 -2.512
166 2HB CYS 24 1HB CYS 24 -6.328 -1.370 -2.003
167 H LYS 25 H LYS 25 -7.401 -1.498 -0.103
168 HA LYS 25 HA LYS 25 -10.047 -1.978 -0.664
169 1HB LYS 25 2HB LYS 25 -8.717 -3.608 0.480
170 2HB LYS 25 1HB LYS 25 -8.452 -2.526 1.837
171 1HG LYS 25 2HG LYS 25 -11.196 -2.738 1.737
172 2HG LYS 25 1HG LYS 25 -10.643 -4.357 1.306
173 1HD LYS 25 2HD LYS 25 -10.123 -4.784 3.422
174 2HD LYS 25 1HD LYS 25 -9.073 -3.370 3.487
175 1HE LYS 25 2HE LYS 25 -11.961 -2.816 3.628
176 2HE LYS 25 1HE LYS 25 -11.288 -3.689 5.005
177 1HZ LYS 25 1HZ LYS 25 -9.765 -1.388 4.097
178 2HZ LYS 25 2HZ LYS 25 -10.111 -1.906 5.669
179 3HZ LYS 25 3HZ LYS 25 -11.268 -1.040 4.792
180 H ASN 26 H ASN 26 -8.699 0.156 1.811
181 HA ASN 26 HA ASN 26 -11.202 0.764 3.029
182 1HB ASN 26 2HB ASN 26 -8.534 1.205 3.640
183 2HB ASN 26 1HB ASN 26 -9.157 2.820 3.325
184 1HD2 ASN 26 1HD2 ASN 26 -8.550 0.767 5.712
185 2HD2 ASN 26 2HD2 ASN 26 -9.780 1.206 6.842
186 H ALA 27 H ALA 27 -9.514 1.949 0.255
187 HA ALA 27 HA ALA 27 -10.850 4.479 0.113
188 1HB ALA 27 1HB ALA 27 -8.604 3.802 -0.948
189 2HB ALA 27 2HB ALA 27 -9.693 4.833 -1.876
190 3HB ALA 27 3HB ALA 27 -9.590 3.109 -2.236
191 H GLY 28 H GLY 28 -11.406 1.262 -1.147
192 1HA GLY 28 2HA GLY 28 -13.973 1.009 -1.377
193 2HA GLY 28 1HA GLY 28 -13.744 2.218 -2.627
194 H HIS 29 H HIS 29 -11.525 -0.422 -1.919
195 HA HIS 29 HA HIS 29 -12.399 -1.815 -4.337
196 1HB HIS 29 2HB HIS 29 -9.511 -1.111 -3.785
197 2HB HIS 29 1HB HIS 29 -10.125 -1.986 -5.182
198 HD1 HIS 29 1HD HIS 29 -12.215 -0.354 -6.365
199 HD2 HIS 29 2HD HIS 29 -8.929 1.413 -4.535
200 HE1 HIS 29 1HE HIS 29 -12.073 1.963 -7.330
201 HE2 HIS 29 2HE HIS 29 -10.022 2.979 -6.278
202 H ASN 30 H ASN 30 -10.001 -3.557 -4.198
203 HA ASN 30 HA ASN 30 -10.845 -5.158 -1.887
204 1HB ASN 30 2HB ASN 30 -9.337 -6.129 -4.317
205 2HB ASN 30 1HB ASN 30 -10.137 -7.106 -3.090
206 1HD2 ASN 30 1HD2 ASN 30 -12.435 -7.095 -3.006
207 2HD2 ASN 30 2HD2 ASN 30 -13.359 -6.732 -4.419
208 H GLY 31 H GLY 31 -7.966 -4.111 -3.689
209 1HA GLY 31 2HA GLY 31 -6.410 -3.658 -1.412
210 2HA GLY 31 1HA GLY 31 -6.072 -5.292 -1.962
211 H GLY 32 H GLY 32 -3.930 -4.761 -2.457
212 1HA GLY 32 2HA GLY 32 -3.557 -3.784 -5.121
213 2HA GLY 32 1HA GLY 32 -2.966 -2.649 -3.918
214 H THR 33 H THR 33 -0.916 -3.096 -5.096
215 HA THR 33 HA THR 33 0.464 -5.340 -3.803
216 HB THR 33 HB THR 33 -0.051 -6.019 -6.107
217 HG1 THR 33 1HG THR 33 1.824 -6.885 -5.480
218 1HG2 THR 33 1HG2 THR 33 0.143 -3.532 -6.930
219 2HG2 THR 33 2HG2 THR 33 0.502 -4.889 -7.999
220 3HG2 THR 33 3HG2 THR 33 1.817 -4.005 -7.223
221 H CYS 34 H CYS 34 2.891 -5.092 -4.006
222 HA CYS 34 HA CYS 34 3.582 -2.266 -3.578
223 1HB CYS 34 2HB CYS 34 3.880 -4.069 -1.740
224 2HB CYS 34 1HB CYS 34 5.266 -4.589 -2.688
225 H MET 35 H MET 35 4.949 -1.285 -4.928
226 HA MET 35 HA MET 35 6.726 -2.924 -6.593
227 1HB MET 35 2HB MET 35 4.499 -1.251 -7.471
228 2HB MET 35 1HB MET 35 6.014 -0.834 -8.259
229 1HG MET 35 2HG MET 35 5.502 -3.705 -8.149
230 2HG MET 35 1HG MET 35 4.292 -2.796 -9.052
231 1HE MET 35 1HE MET 35 5.895 -1.890 -12.272
232 2HE MET 35 2HE MET 35 4.925 -1.110 -11.023
233 3HE MET 35 3HE MET 35 4.536 -2.749 -11.547
234 H PHE 36 H PHE 36 8.629 -2.319 -5.680
235 HA PHE 36 HA PHE 36 10.359 -1.014 -4.974
236 1HB PHE 36 2HB PHE 36 10.608 -0.773 -7.359
237 2HB PHE 36 1HB PHE 36 9.409 0.508 -7.397
238 HD1 PHE 36 1HD PHE 36 12.703 -0.340 -5.943
239 HD2 PHE 36 2HD PHE 36 10.090 2.724 -7.296
240 HE1 PHE 36 1HE PHE 36 14.504 1.314 -5.649
241 HE2 PHE 36 2HE PHE 36 11.880 4.388 -7.008
242 HZ PHE 36 HZ PHE 36 14.092 3.684 -6.183
243 H PHE 37 H PHE 37 8.852 -0.514 -3.080
244 HA PHE 37 HA PHE 37 8.141 0.946 -1.500
245 1HB PHE 37 2HB PHE 37 9.700 3.053 -2.992
246 2HB PHE 37 1HB PHE 37 9.340 2.991 -1.269
247 HD1 PHE 37 1HD PHE 37 9.974 0.046 -0.878
248 HD2 PHE 37 2HD PHE 37 12.060 3.178 -2.865
249 HE1 PHE 37 1HE PHE 37 12.100 -1.122 -0.474
250 HE2 PHE 37 2HE PHE 37 14.192 2.013 -2.466
251 HZ PHE 37 HZ PHE 37 14.212 -0.143 -1.271
252 H LYS 38 H LYS 38 6.720 0.782 -4.221
253 HA LYS 38 HA LYS 38 5.190 3.285 -3.942
254 1HB LYS 38 2HB LYS 38 5.314 1.510 -6.385
255 2HB LYS 38 1HB LYS 38 4.526 3.074 -6.256
256 1HG LYS 38 2HG LYS 38 6.874 3.969 -5.687
257 2HG LYS 38 1HG LYS 38 7.448 2.447 -6.372
258 1HD LYS 38 2HD LYS 38 7.443 4.169 -8.076
259 2HD LYS 38 1HD LYS 38 6.220 2.952 -8.452
260 1HE LYS 38 2HE LYS 38 4.461 4.362 -7.843
261 2HE LYS 38 1HE LYS 38 5.517 5.436 -6.927
262 1HZ LYS 38 1HZ LYS 38 4.646 5.978 -9.375
263 2HZ LYS 38 2HZ LYS 38 6.095 5.199 -9.764
264 3HZ LYS 38 3HZ LYS 38 6.112 6.563 -8.766
265 H CYS 39 H CYS 39 3.008 3.182 -3.653
266 HA CYS 39 HA CYS 39 1.924 0.509 -3.119
267 1HB CYS 39 2HB CYS 39 1.869 2.044 -1.226
268 2HB CYS 39 1HB CYS 39 0.988 3.228 -2.184
269 H LYS 40 H LYS 40 0.936 -0.286 -4.859
270 HA LYS 40 HA LYS 40 -0.877 1.484 -6.364
271 1HB LYS 40 2HB LYS 40 1.170 0.202 -7.456
272 2HB LYS 40 1HB LYS 40 0.033 -1.140 -7.467
273 1HG LYS 40 2HG LYS 40 -1.287 -0.192 -9.050
274 2HG LYS 40 1HG LYS 40 -0.914 1.455 -8.537
275 1HD LYS 40 2HD LYS 40 1.472 0.889 -9.429
276 2HD LYS 40 1HD LYS 40 0.631 -0.373 -10.330
277 1HE LYS 40 2HE LYS 40 -0.416 2.420 -10.396
278 2HE LYS 40 1HE LYS 40 0.989 2.003 -11.376
279 1HZ LYS 40 1HZ LYS 40 -0.588 1.438 -12.856
280 2HZ LYS 40 2HZ LYS 40 -1.787 1.212 -11.684
281 3HZ LYS 40 3HZ LYS 40 -0.649 -0.005 -11.976
282 H CYS 41 H CYS 41 -2.837 0.391 -7.247
283 HA CYS 41 HA CYS 41 -4.002 -1.287 -5.178
284 1HB CYS 41 2HB CYS 41 -5.054 0.455 -7.353
285 2HB CYS 41 1HB CYS 41 -6.067 -0.838 -6.760
286 H ALA 42 H ALA 42 -5.895 -2.693 -6.397
287 HA ALA 42 HA ALA 42 -4.496 -4.369 -8.379
288 1HB ALA 42 1HB ALA 42 -4.875 -5.163 -5.834
289 2HB ALA 42 2HB ALA 42 -4.821 -6.269 -7.206
290 3HB ALA 42 3HB ALA 42 -6.375 -5.736 -6.565
Start of MODEL 2
1 1H ASP 1 1HT ASP 1 -10.635 17.345 -3.837
2 2H ASP 1 2HT ASP 1 -10.131 17.117 -5.462
3 3H ASP 1 3HT ASP 1 -9.164 16.531 -4.171
4 HA ASP 1 HA ASP 1 -11.113 15.139 -3.534
5 1HB ASP 1 2HB ASP 1 -12.423 16.660 -5.332
6 2HB ASP 1 1HB ASP 1 -11.967 15.314 -6.374
7 H ARG 2 H ARG 2 -9.066 14.026 -3.429
8 HA ARG 2 HA ARG 2 -8.859 11.873 -5.199
9 1HB ARG 2 2HB ARG 2 -7.999 13.521 -6.787
10 2HB ARG 2 1HB ARG 2 -6.774 14.019 -5.629
11 1HG ARG 2 2HG ARG 2 -5.733 11.831 -5.752
12 2HG ARG 2 1HG ARG 2 -6.990 11.280 -6.861
13 1HD ARG 2 2HD ARG 2 -4.961 11.884 -8.069
14 2HD ARG 2 1HD ARG 2 -6.293 12.957 -8.493
15 HE ARG 2 HE ARG 2 -4.965 14.228 -6.459
16 1HH1 ARG 2 1HH1 ARG 2 -4.123 13.034 -9.628
17 2HH1 ARG 2 2HH1 ARG 2 -2.896 14.228 -9.889
18 1HH2 ARG 2 1HH2 ARG 2 -3.349 15.799 -6.800
19 2HH2 ARG 2 2HH2 ARG 2 -2.456 15.797 -8.284
20 H ASP 3 H ASP 3 -8.421 10.469 -3.646
21 HA ASP 3 HA ASP 3 -6.837 11.049 -1.361
22 1HB ASP 3 2HB ASP 3 -8.661 9.098 -2.024
23 2HB ASP 3 1HB ASP 3 -7.144 8.205 -2.011
24 H SER 4 H SER 4 -6.244 8.482 -3.760
25 HA SER 4 HA SER 4 -4.321 7.619 -4.618
26 1HB SER 4 2HB SER 4 -4.066 9.742 -5.723
27 2HB SER 4 1HB SER 4 -3.439 10.488 -4.254
28 HG SER 4 HG SER 4 -1.996 9.508 -6.104
29 H CYS 5 H CYS 5 -3.803 6.165 -3.014
30 HA CYS 5 HA CYS 5 -2.290 7.026 -0.698
31 1HB CYS 5 2HB CYS 5 -4.084 5.169 -0.763
32 2HB CYS 5 1HB CYS 5 -2.819 4.164 -1.460
33 H VAL 6 H VAL 6 -1.635 5.857 -3.854
34 HA VAL 6 HA VAL 6 0.688 4.420 -3.615
35 HB VAL 6 HB VAL 6 0.314 6.536 -5.703
36 1HG1 VAL 6 1HG1 VAL 6 2.433 5.627 -5.976
37 2HG1 VAL 6 2HG1 VAL 6 1.443 4.670 -7.078
38 3HG1 VAL 6 3HG1 VAL 6 1.905 4.012 -5.508
39 1HG2 VAL 6 1HG2 VAL 6 -1.400 4.332 -5.122
40 2HG2 VAL 6 2HG2 VAL 6 -0.589 4.037 -6.660
41 3HG2 VAL 6 3HG2 VAL 6 -1.521 5.514 -6.425
42 H ASP 7 H ASP 7 0.374 7.953 -3.706
43 HA ASP 7 HA ASP 7 3.212 8.232 -3.078
44 1HB ASP 7 2HB ASP 7 1.687 9.664 -4.765
45 2HB ASP 7 1HB ASP 7 1.472 10.628 -3.306
46 H LYS 8 H LYS 8 0.095 8.457 -1.587
47 HA LYS 8 HA LYS 8 0.763 10.118 0.594
48 1HB LYS 8 2HB LYS 8 -1.557 9.281 -0.264
49 2HB LYS 8 1HB LYS 8 -1.267 7.923 0.814
50 1HG LYS 8 2HG LYS 8 -0.720 10.319 2.239
51 2HG LYS 8 1HG LYS 8 -2.283 10.489 1.436
52 1HD LYS 8 2HD LYS 8 -1.511 8.105 3.110
53 2HD LYS 8 1HD LYS 8 -2.380 9.505 3.742
54 1HE LYS 8 2HE LYS 8 -3.881 8.919 1.571
55 2HE LYS 8 1HE LYS 8 -3.315 7.310 2.015
56 1HZ LYS 8 1HZ LYS 8 -4.642 9.193 3.889
57 2HZ LYS 8 2HZ LYS 8 -4.218 7.584 4.200
58 3HZ LYS 8 3HZ LYS 8 -5.433 7.936 3.077
59 H SER 9 H SER 9 0.209 6.590 0.667
60 HA SER 9 HA SER 9 1.846 6.400 3.063
61 1HB SER 9 2HB SER 9 -0.424 5.169 2.551
62 2HB SER 9 1HB SER 9 0.624 4.014 1.727
63 HG SER 9 HG SER 9 1.741 3.717 3.668
64 H ARG 10 H ARG 10 3.459 4.642 3.242
65 HA ARG 10 HA ARG 10 5.166 4.639 0.879
66 1HB ARG 10 2HB ARG 10 5.734 5.038 3.509
67 2HB ARG 10 1HB ARG 10 6.118 3.330 3.344
68 1HG ARG 10 2HG ARG 10 7.424 4.159 1.225
69 2HG ARG 10 1HG ARG 10 7.408 5.696 2.089
70 1HD ARG 10 2HD ARG 10 8.218 3.225 3.545
71 2HD ARG 10 1HD ARG 10 9.362 3.971 2.429
72 HE ARG 10 HE ARG 10 8.341 5.957 4.117
73 1HH1 ARG 10 1HH1 ARG 10 10.381 3.130 4.278
74 2HH1 ARG 10 2HH1 ARG 10 11.310 3.722 5.614
75 1HH2 ARG 10 1HH2 ARG 10 9.560 6.736 5.877
76 2HH2 ARG 10 2HH2 ARG 10 10.843 5.768 6.523
77 H CYS 11 H CYS 11 6.664 2.352 1.362
78 HA CYS 11 HA CYS 11 5.086 0.016 1.651
79 1HB CYS 11 2HB CYS 11 4.485 1.096 -0.689
80 2HB CYS 11 1HB CYS 11 5.990 0.331 -1.180
81 H ALA 12 H ALA 12 6.364 -1.951 0.710
82 HA ALA 12 HA ALA 12 9.110 -1.635 1.610
83 1HB ALA 12 1HB ALA 12 8.827 -4.279 0.957
84 2HB ALA 12 2HB ALA 12 7.187 -3.828 1.428
85 3HB ALA 12 3HB ALA 12 8.527 -3.583 2.550
86 H LYS 13 H LYS 13 10.632 -3.317 0.293
87 HA LYS 13 HA LYS 13 11.357 -2.087 -2.044
88 1HB LYS 13 2HB LYS 13 12.417 -4.007 -0.527
89 2HB LYS 13 1HB LYS 13 11.822 -5.005 -1.838
90 1HG LYS 13 2HG LYS 13 13.252 -4.071 -3.384
91 2HG LYS 13 1HG LYS 13 13.451 -2.586 -2.450
92 1HD LYS 13 2HD LYS 13 14.571 -5.302 -1.759
93 2HD LYS 13 1HD LYS 13 15.475 -3.916 -2.365
94 1HE LYS 13 2HE LYS 13 14.347 -2.768 -0.242
95 2HE LYS 13 1HE LYS 13 14.374 -4.435 0.334
96 1HZ LYS 13 1HZ LYS 13 16.681 -2.777 -0.511
97 2HZ LYS 13 2HZ LYS 13 16.790 -4.446 -0.267
98 3HZ LYS 13 3HZ LYS 13 16.381 -3.429 1.021
99 H TYR 14 H TYR 14 9.266 -4.936 -1.674
100 HA TYR 14 HA TYR 14 7.584 -4.371 -3.788
101 1HB TYR 14 2HB TYR 14 8.535 -6.308 -5.339
102 2HB TYR 14 1HB TYR 14 9.070 -4.640 -5.513
103 HD1 TYR 14 1HD TYR 14 10.014 -7.385 -3.150
104 HD2 TYR 14 2HD TYR 14 11.301 -4.592 -6.088
105 HE1 TYR 14 1HE TYR 14 12.339 -8.102 -2.802
106 HE2 TYR 14 2HE TYR 14 13.631 -5.301 -5.749
107 HH TYR 14 HH TYR 14 14.637 -7.118 -3.126
108 H GLY 15 H GLY 15 6.105 -6.107 -4.301
109 1HA GLY 15 2HA GLY 15 5.525 -8.476 -3.953
110 2HA GLY 15 1HA GLY 15 6.266 -8.340 -2.367
111 H TYR 16 H TYR 16 4.653 -8.657 -0.969
112 HA TYR 16 HA TYR 16 2.137 -7.194 -1.386
113 1HB TYR 16 2HB TYR 16 2.086 -9.718 -1.187
114 2HB TYR 16 1HB TYR 16 2.586 -9.518 0.489
115 HD1 TYR 16 1HD TYR 16 1.074 -7.888 1.907
116 HD2 TYR 16 2HD TYR 16 -0.172 -9.828 -1.669
117 HE1 TYR 16 1HE TYR 16 -1.275 -7.598 2.575
118 HE2 TYR 16 2HE TYR 16 -2.524 -9.543 -1.011
119 HH TYR 16 HH TYR 16 -3.746 -7.672 0.692
120 H TYR 17 H TYR 17 1.520 -5.658 0.001
121 HA TYR 17 HA TYR 17 2.913 -5.442 2.580
122 1HB TYR 17 2HB TYR 17 3.645 -3.810 0.655
123 2HB TYR 17 1HB TYR 17 2.157 -2.968 1.068
124 HD1 TYR 17 1HD TYR 17 2.886 -0.991 2.072
125 HD2 TYR 17 2HD TYR 17 4.565 -4.693 3.326
126 HE1 TYR 17 1HE TYR 17 4.052 0.166 3.903
127 HE2 TYR 17 2HE TYR 17 5.732 -3.548 5.163
128 HH TYR 17 HH TYR 17 6.550 -0.909 5.461
129 H GLN 18 H GLN 18 1.388 -5.826 4.048
130 HA GLN 18 HA GLN 18 -1.338 -5.698 3.764
131 1HB GLN 18 2HB GLN 18 0.272 -6.482 5.749
132 2HB GLN 18 1HB GLN 18 -0.247 -4.944 6.425
133 1HG GLN 18 2HG GLN 18 -1.917 -6.177 7.265
134 2HG GLN 18 1HG GLN 18 -2.624 -5.944 5.666
135 1HE2 GLN 18 1HE2 GLN 18 -3.758 -7.942 6.399
136 2HE2 GLN 18 2HE2 GLN 18 -3.019 -9.458 6.028
137 H GLU 19 H GLU 19 0.874 -3.081 4.437
138 HA GLU 19 HA GLU 19 -1.039 -1.196 5.334
139 1HB GLU 19 2HB GLU 19 1.656 -1.220 5.251
140 2HB GLU 19 1HB GLU 19 1.330 -0.213 3.846
141 1HG GLU 19 2HG GLU 19 -0.311 0.930 5.654
142 2HG GLU 19 1HG GLU 19 0.980 0.353 6.707
143 H CYS 20 H CYS 20 0.243 -2.014 2.150
144 HA CYS 20 HA CYS 20 -1.103 0.079 0.770
145 1HB CYS 20 2HB CYS 20 0.941 -1.245 -0.012
146 2HB CYS 20 1HB CYS 20 -0.190 -2.517 -0.459
147 H GLN 21 H GLN 21 -1.710 -3.435 0.926
148 HA GLN 21 HA GLN 21 -4.076 -3.464 -0.521
149 1HB GLN 21 2HB GLN 21 -4.558 -5.597 0.551
150 2HB GLN 21 1HB GLN 21 -2.860 -5.493 0.108
151 1HG GLN 21 2HG GLN 21 -2.254 -5.899 2.171
152 2HG GLN 21 1HG GLN 21 -3.180 -4.526 2.763
153 1HE2 GLN 21 1HE2 GLN 21 -5.731 -5.238 2.325
154 2HE2 GLN 21 2HE2 GLN 21 -6.135 -6.657 3.224
155 H ASP 22 H ASP 22 -3.505 -2.640 2.832
156 HA ASP 22 HA ASP 22 -6.225 -2.674 3.655
157 1HB ASP 22 2HB ASP 22 -4.230 -2.761 5.190
158 2HB ASP 22 1HB ASP 22 -3.975 -1.050 4.857
159 H CYS 23 H CYS 23 -4.039 -0.093 2.578
160 HA CYS 23 HA CYS 23 -5.749 2.075 2.886
161 1HB CYS 23 2HB CYS 23 -3.217 1.793 2.078
162 2HB CYS 23 1HB CYS 23 -3.987 2.020 0.520
163 H CYS 24 H CYS 24 -5.128 0.181 -0.049
164 HA CYS 24 HA CYS 24 -6.951 1.386 -1.735
165 1HB CYS 24 2HB CYS 24 -5.193 -0.395 -2.261
166 2HB CYS 24 1HB CYS 24 -6.407 -1.576 -1.782
167 H LYS 25 H LYS 25 -7.529 -1.661 0.057
168 HA LYS 25 HA LYS 25 -10.202 -1.958 -0.579
169 1HB LYS 25 2HB LYS 25 -10.391 -3.433 1.307
170 2HB LYS 25 1HB LYS 25 -8.802 -3.651 0.589
171 1HG LYS 25 2HG LYS 25 -7.750 -3.020 2.451
172 2HG LYS 25 1HG LYS 25 -8.842 -1.664 2.724
173 1HD LYS 25 2HD LYS 25 -10.102 -4.259 3.154
174 2HD LYS 25 1HD LYS 25 -8.727 -3.968 4.222
175 1HE LYS 25 2HE LYS 25 -11.053 -2.087 3.834
176 2HE LYS 25 1HE LYS 25 -10.872 -3.207 5.184
177 1HZ LYS 25 1HZ LYS 25 -8.569 -1.948 5.362
178 2HZ LYS 25 2HZ LYS 25 -9.970 -1.367 6.113
179 3HZ LYS 25 3HZ LYS 25 -9.466 -0.708 4.639
180 H ASN 26 H ASN 26 -8.733 0.194 1.733
181 HA ASN 26 HA ASN 26 -11.201 0.843 3.065
182 1HB ASN 26 2HB ASN 26 -8.509 1.179 3.649
183 2HB ASN 26 1HB ASN 26 -9.071 2.815 3.335
184 1HD2 ASN 26 1HD2 ASN 26 -8.343 1.084 5.786
185 2HD2 ASN 26 2HD2 ASN 26 -9.610 1.446 6.903
186 H ALA 27 H ALA 27 -9.494 1.921 0.266
187 HA ALA 27 HA ALA 27 -10.749 4.504 0.118
188 1HB ALA 27 1HB ALA 27 -8.823 2.963 -1.489
189 2HB ALA 27 2HB ALA 27 -8.843 4.677 -1.072
190 3HB ALA 27 3HB ALA 27 -9.847 4.078 -2.393
191 H GLY 28 H GLY 28 -11.383 1.294 -1.102
192 1HA GLY 28 2HA GLY 28 -13.928 1.081 -1.399
193 2HA GLY 28 1HA GLY 28 -13.672 2.308 -2.626
194 H HIS 29 H HIS 29 -11.542 -0.410 -1.910
195 HA HIS 29 HA HIS 29 -12.395 -1.743 -4.367
196 1HB HIS 29 2HB HIS 29 -9.474 -1.228 -3.822
197 2HB HIS 29 1HB HIS 29 -10.206 -1.851 -5.296
198 HD1 HIS 29 1HD HIS 29 -12.034 0.050 -6.342
199 HD2 HIS 29 2HD HIS 29 -8.803 1.366 -4.086
200 HE1 HIS 29 1HE HIS 29 -11.728 2.469 -6.955
201 HE2 HIS 29 2HE HIS 29 -9.718 3.223 -5.638
202 H ASN 30 H ASN 30 -9.984 -3.486 -4.230
203 HA ASN 30 HA ASN 30 -10.822 -5.101 -1.919
204 1HB ASN 30 2HB ASN 30 -10.991 -5.878 -4.458
205 2HB ASN 30 1HB ASN 30 -9.307 -6.312 -4.182
206 1HD2 ASN 30 1HD2 ASN 30 -11.944 -7.813 -4.521
207 2HD2 ASN 30 2HD2 ASN 30 -11.917 -8.970 -3.239
208 H GLY 31 H GLY 31 -7.952 -4.365 -3.916
209 1HA GLY 31 2HA GLY 31 -6.301 -3.920 -1.649
210 2HA GLY 31 1HA GLY 31 -6.031 -5.536 -2.285
211 H GLY 32 H GLY 32 -3.889 -5.014 -2.845
212 1HA GLY 32 2HA GLY 32 -3.601 -3.990 -5.492
213 2HA GLY 32 1HA GLY 32 -3.000 -2.846 -4.303
214 H THR 33 H THR 33 -0.897 -3.088 -5.210
215 HA THR 33 HA THR 33 0.521 -5.379 -4.089
216 HB THR 33 HB THR 33 0.182 -6.174 -6.297
217 HG1 THR 33 1HG THR 33 2.255 -6.575 -5.935
218 1HG2 THR 33 1HG2 THR 33 1.316 -4.465 -8.103
219 2HG2 THR 33 2HG2 THR 33 0.405 -3.377 -7.056
220 3HG2 THR 33 3HG2 THR 33 -0.414 -4.714 -7.863
221 H CYS 34 H CYS 34 2.909 -5.060 -4.164
222 HA CYS 34 HA CYS 34 3.538 -2.212 -3.786
223 1HB CYS 34 2HB CYS 34 3.765 -3.888 -1.855
224 2HB CYS 34 1HB CYS 34 5.157 -4.516 -2.724
225 H MET 35 H MET 35 4.972 -1.254 -5.083
226 HA MET 35 HA MET 35 6.828 -2.928 -6.628
227 1HB MET 35 2HB MET 35 4.743 -1.081 -7.634
228 2HB MET 35 1HB MET 35 6.306 -0.997 -8.435
229 1HG MET 35 2HG MET 35 5.023 -3.653 -8.018
230 2HG MET 35 1HG MET 35 4.444 -2.600 -9.307
231 1HE MET 35 1HE MET 35 7.596 -2.132 -11.520
232 2HE MET 35 2HE MET 35 7.491 -1.185 -10.035
233 3HE MET 35 3HE MET 35 6.046 -1.469 -11.005
234 H PHE 36 H PHE 36 8.691 -2.323 -5.635
235 HA PHE 36 HA PHE 36 10.399 -1.023 -4.874
236 1HB PHE 36 2HB PHE 36 10.744 -0.776 -7.247
237 2HB PHE 36 1HB PHE 36 9.542 0.501 -7.330
238 HD1 PHE 36 1HD PHE 36 12.130 0.151 -4.735
239 HD2 PHE 36 2HD PHE 36 10.871 2.235 -8.218
240 HE1 PHE 36 1HE PHE 36 13.901 1.821 -4.367
241 HE2 PHE 36 2HE PHE 36 12.637 3.911 -7.862
242 HZ PHE 36 HZ PHE 36 14.155 3.706 -5.933
243 H PHE 37 H PHE 37 8.685 -0.541 -3.092
244 HA PHE 37 HA PHE 37 7.982 0.920 -1.511
245 1HB PHE 37 2HB PHE 37 9.539 3.035 -3.000
246 2HB PHE 37 1HB PHE 37 9.097 3.030 -1.295
247 HD1 PHE 37 1HD PHE 37 9.762 0.099 -0.791
248 HD2 PHE 37 2HD PHE 37 11.893 3.227 -2.735
249 HE1 PHE 37 1HE PHE 37 11.885 -1.014 -0.241
250 HE2 PHE 37 2HE PHE 37 14.021 2.117 -2.191
251 HZ PHE 37 HZ PHE 37 14.017 -0.010 -0.943
252 H LYS 38 H LYS 38 6.659 0.717 -4.298
253 HA LYS 38 HA LYS 38 5.056 3.178 -4.093
254 1HB LYS 38 2HB LYS 38 5.310 1.288 -6.441
255 2HB LYS 38 1HB LYS 38 4.344 2.754 -6.403
256 1HG LYS 38 2HG LYS 38 6.586 3.926 -5.848
257 2HG LYS 38 1HG LYS 38 7.313 2.457 -6.500
258 1HD LYS 38 2HD LYS 38 7.157 3.549 -8.465
259 2HD LYS 38 1HD LYS 38 5.479 3.001 -8.414
260 1HE LYS 38 2HE LYS 38 5.143 5.219 -7.041
261 2HE LYS 38 1HE LYS 38 6.620 5.702 -7.876
262 1HZ LYS 38 1HZ LYS 38 5.231 4.766 -9.917
263 2HZ LYS 38 2HZ LYS 38 5.128 6.376 -9.409
264 3HZ LYS 38 3HZ LYS 38 3.944 5.263 -8.937
265 H CYS 39 H CYS 39 2.880 3.056 -3.789
266 HA CYS 39 HA CYS 39 1.818 0.376 -3.206
267 1HB CYS 39 2HB CYS 39 1.841 1.845 -1.272
268 2HB CYS 39 1HB CYS 39 0.973 3.088 -2.165
269 H LYS 40 H LYS 40 0.942 -0.280 -5.111
270 HA LYS 40 HA LYS 40 -1.003 1.508 -6.403
271 1HB LYS 40 2HB LYS 40 1.049 0.180 -7.569
272 2HB LYS 40 1HB LYS 40 -0.232 -1.009 -7.753
273 1HG LYS 40 2HG LYS 40 -1.554 1.127 -8.617
274 2HG LYS 40 1HG LYS 40 0.086 1.655 -9.001
275 1HD LYS 40 2HD LYS 40 0.449 -0.150 -10.452
276 2HD LYS 40 1HD LYS 40 -0.917 -1.059 -9.800
277 1HE LYS 40 2HE LYS 40 -2.443 0.078 -11.043
278 2HE LYS 40 1HE LYS 40 -1.512 1.574 -11.014
279 1HZ LYS 40 1HZ LYS 40 -1.126 1.017 -13.144
280 2HZ LYS 40 2HZ LYS 40 -1.419 -0.631 -12.899
281 3HZ LYS 40 3HZ LYS 40 0.079 0.033 -12.481
282 H CYS 41 H CYS 41 -2.964 0.429 -7.293
283 HA CYS 41 HA CYS 41 -4.012 -1.442 -5.316
284 1HB CYS 41 2HB CYS 41 -5.200 0.556 -7.185
285 2HB CYS 41 1HB CYS 41 -6.185 -0.788 -6.653
286 H ALA 42 H ALA 42 -6.018 -2.672 -6.577
287 HA ALA 42 HA ALA 42 -5.303 -3.764 -9.120
288 1HB ALA 42 1HB ALA 42 -4.817 -6.038 -8.418
289 2HB ALA 42 2HB ALA 42 -4.959 -5.565 -6.725
290 3HB ALA 42 3HB ALA 42 -3.651 -4.916 -7.715
Start of MODEL 3
1 1H ASP 1 1HT ASP 1 -11.343 12.517 -4.865
2 2H ASP 1 2HT ASP 1 -12.805 13.353 -4.530
3 3H ASP 1 3HT ASP 1 -11.438 13.567 -3.513
4 HA ASP 1 HA ASP 1 -11.876 14.507 -6.252
5 1HB ASP 1 2HB ASP 1 -11.856 15.605 -3.565
6 2HB ASP 1 1HB ASP 1 -10.702 16.441 -4.599
7 H ARG 2 H ARG 2 -9.446 13.727 -3.813
8 HA ARG 2 HA ARG 2 -7.450 13.108 -5.672
9 1HB ARG 2 2HB ARG 2 -7.402 15.504 -6.121
10 2HB ARG 2 1HB ARG 2 -7.165 15.838 -4.411
11 1HG ARG 2 2HG ARG 2 -4.970 15.356 -4.482
12 2HG ARG 2 1HG ARG 2 -5.186 14.039 -5.638
13 1HD ARG 2 2HD ARG 2 -5.635 15.828 -7.376
14 2HD ARG 2 1HD ARG 2 -5.054 16.994 -6.188
15 HE ARG 2 HE ARG 2 -3.474 15.155 -7.730
16 1HH1 ARG 2 1HH1 ARG 2 -3.605 17.065 -4.813
17 2HH1 ARG 2 2HH1 ARG 2 -1.884 17.147 -4.640
18 1HH2 ARG 2 1HH2 ARG 2 -1.210 15.260 -7.504
19 2HH2 ARG 2 2HH2 ARG 2 -0.524 16.122 -6.169
20 H ASP 3 H ASP 3 -6.704 11.470 -4.511
21 HA ASP 3 HA ASP 3 -5.641 12.040 -1.833
22 1HB ASP 3 2HB ASP 3 -7.931 10.578 -2.195
23 2HB ASP 3 1HB ASP 3 -6.703 9.318 -2.168
24 H SER 4 H SER 4 -5.837 9.158 -3.921
25 HA SER 4 HA SER 4 -4.241 7.735 -4.696
26 1HB SER 4 2HB SER 4 -3.038 10.435 -4.994
27 2HB SER 4 1HB SER 4 -1.949 9.057 -5.161
28 HG SER 4 HG SER 4 -2.709 8.955 -7.112
29 H CYS 5 H CYS 5 -3.809 6.329 -3.077
30 HA CYS 5 HA CYS 5 -2.267 7.048 -0.774
31 1HB CYS 5 2HB CYS 5 -4.092 5.262 -0.899
32 2HB CYS 5 1HB CYS 5 -2.889 4.239 -1.677
33 H VAL 6 H VAL 6 -1.533 5.899 -3.932
34 HA VAL 6 HA VAL 6 0.763 4.432 -3.638
35 HB VAL 6 HB VAL 6 0.457 6.578 -5.708
36 1HG1 VAL 6 1HG1 VAL 6 1.598 4.568 -7.010
37 2HG1 VAL 6 2HG1 VAL 6 2.170 4.185 -5.386
38 3HG1 VAL 6 3HG1 VAL 6 2.538 5.755 -6.103
39 1HG2 VAL 6 1HG2 VAL 6 -1.303 5.534 -6.573
40 2HG2 VAL 6 2HG2 VAL 6 -1.297 4.418 -5.208
41 3HG2 VAL 6 3HG2 VAL 6 -0.386 4.031 -6.668
42 H ASP 7 H ASP 7 0.603 7.977 -3.936
43 HA ASP 7 HA ASP 7 3.388 8.216 -3.172
44 1HB ASP 7 2HB ASP 7 1.617 9.764 -4.697
45 2HB ASP 7 1HB ASP 7 1.949 10.729 -3.262
46 H LYS 8 H LYS 8 0.241 8.566 -1.729
47 HA LYS 8 HA LYS 8 0.990 10.116 0.512
48 1HB LYS 8 2HB LYS 8 -1.369 9.529 -0.408
49 2HB LYS 8 1HB LYS 8 -1.225 8.091 0.593
50 1HG LYS 8 2HG LYS 8 -1.316 9.281 2.555
51 2HG LYS 8 1HG LYS 8 -0.717 10.762 1.810
52 1HD LYS 8 2HD LYS 8 -3.366 9.640 0.992
53 2HD LYS 8 1HD LYS 8 -3.226 10.577 2.481
54 1HE LYS 8 2HE LYS 8 -2.616 12.515 1.353
55 2HE LYS 8 1HE LYS 8 -2.111 11.633 -0.088
56 1HZ LYS 8 1HZ LYS 8 -4.165 12.740 -0.531
57 2HZ LYS 8 2HZ LYS 8 -4.897 12.072 0.840
58 3HZ LYS 8 3HZ LYS 8 -4.474 11.078 -0.462
59 H SER 9 H SER 9 0.147 6.647 0.463
60 HA SER 9 HA SER 9 1.646 6.239 2.910
61 1HB SER 9 2HB SER 9 -0.579 5.154 2.497
62 2HB SER 9 1HB SER 9 0.187 4.180 1.242
63 HG SER 9 HG SER 9 0.284 2.963 3.059
64 H ARG 10 H ARG 10 3.323 4.683 3.143
65 HA ARG 10 HA ARG 10 5.091 4.603 0.848
66 1HB ARG 10 2HB ARG 10 5.544 4.971 3.506
67 2HB ARG 10 1HB ARG 10 5.922 3.262 3.339
68 1HG ARG 10 2HG ARG 10 7.355 4.055 1.320
69 2HG ARG 10 1HG ARG 10 7.264 5.627 2.114
70 1HD ARG 10 2HD ARG 10 8.123 3.134 3.558
71 2HD ARG 10 1HD ARG 10 9.262 4.165 2.693
72 HE ARG 10 HE ARG 10 7.980 5.905 4.309
73 1HH1 ARG 10 1HH1 ARG 10 9.579 2.858 4.895
74 2HH1 ARG 10 2HH1 ARG 10 10.052 3.275 6.508
75 1HH2 ARG 10 1HH2 ARG 10 8.603 6.455 6.429
76 2HH2 ARG 10 2HH2 ARG 10 9.498 5.317 7.379
77 H CYS 11 H CYS 11 6.540 2.295 1.384
78 HA CYS 11 HA CYS 11 4.960 -0.034 1.601
79 1HB CYS 11 2HB CYS 11 4.348 1.057 -0.719
80 2HB CYS 11 1HB CYS 11 5.875 0.347 -1.225
81 H ALA 12 H ALA 12 6.242 -1.993 0.686
82 HA ALA 12 HA ALA 12 8.987 -1.672 1.585
83 1HB ALA 12 1HB ALA 12 8.422 -3.622 2.524
84 2HB ALA 12 2HB ALA 12 8.681 -4.324 0.926
85 3HB ALA 12 3HB ALA 12 7.057 -3.854 1.429
86 H LYS 13 H LYS 13 10.550 -3.282 0.302
87 HA LYS 13 HA LYS 13 11.283 -2.089 -2.041
88 1HB LYS 13 2HB LYS 13 12.652 -3.717 -0.762
89 2HB LYS 13 1HB LYS 13 11.662 -5.017 -1.408
90 1HG LYS 13 2HG LYS 13 12.491 -4.741 -3.567
91 2HG LYS 13 1HG LYS 13 13.111 -3.125 -3.219
92 1HD LYS 13 2HD LYS 13 14.618 -4.347 -1.500
93 2HD LYS 13 1HD LYS 13 14.224 -5.792 -2.432
94 1HE LYS 13 2HE LYS 13 15.513 -3.272 -3.473
95 2HE LYS 13 1HE LYS 13 16.301 -4.830 -3.226
96 1HZ LYS 13 1HZ LYS 13 14.944 -5.792 -4.933
97 2HZ LYS 13 2HZ LYS 13 15.681 -4.404 -5.557
98 3HZ LYS 13 3HZ LYS 13 14.051 -4.365 -5.107
99 H TYR 14 H TYR 14 9.144 -4.904 -1.709
100 HA TYR 14 HA TYR 14 7.479 -4.279 -3.812
101 1HB TYR 14 2HB TYR 14 8.335 -6.161 -5.422
102 2HB TYR 14 1HB TYR 14 9.023 -4.545 -5.509
103 HD1 TYR 14 1HD TYR 14 9.855 -6.931 -2.821
104 HD2 TYR 14 2HD TYR 14 11.084 -5.226 -6.520
105 HE1 TYR 14 1HE TYR 14 12.099 -7.883 -2.507
106 HE2 TYR 14 2HE TYR 14 13.333 -6.173 -6.216
107 HH TYR 14 HH TYR 14 14.338 -7.606 -3.237
108 H GLY 15 H GLY 15 6.134 -6.174 -4.551
109 1HA GLY 15 2HA GLY 15 5.433 -8.450 -4.161
110 2HA GLY 15 1HA GLY 15 6.193 -8.367 -2.579
111 H TYR 16 H TYR 16 4.594 -8.685 -1.170
112 HA TYR 16 HA TYR 16 2.094 -7.181 -1.528
113 1HB TYR 16 2HB TYR 16 2.069 -9.731 -1.336
114 2HB TYR 16 1HB TYR 16 2.506 -9.500 0.353
115 HD1 TYR 16 1HD TYR 16 0.933 -7.708 1.601
116 HD2 TYR 16 2HD TYR 16 -0.167 -10.001 -1.809
117 HE1 TYR 16 1HE TYR 16 -1.439 -7.413 2.177
118 HE2 TYR 16 2HE TYR 16 -2.542 -9.714 -1.244
119 HH TYR 16 HH TYR 16 -3.663 -8.875 1.620
120 H TYR 17 H TYR 17 1.379 -5.785 -0.006
121 HA TYR 17 HA TYR 17 2.887 -5.559 2.502
122 1HB TYR 17 2HB TYR 17 3.427 -3.843 0.527
123 2HB TYR 17 1HB TYR 17 2.010 -3.036 1.185
124 HD1 TYR 17 1HD TYR 17 2.875 -1.132 2.222
125 HD2 TYR 17 2HD TYR 17 4.672 -4.910 2.992
126 HE1 TYR 17 1HE TYR 17 4.271 -0.105 3.967
127 HE2 TYR 17 2HE TYR 17 6.072 -3.895 4.741
128 HH TYR 17 HH TYR 17 5.515 -0.741 5.942
129 H GLN 18 H GLN 18 1.415 -6.053 3.987
130 HA GLN 18 HA GLN 18 -1.302 -6.039 3.839
131 1HB GLN 18 2HB GLN 18 0.315 -6.805 5.735
132 2HB GLN 18 1HB GLN 18 0.006 -5.209 6.403
133 1HG GLN 18 2HG GLN 18 -2.001 -5.795 7.152
134 2HG GLN 18 1HG GLN 18 -2.434 -6.572 5.630
135 1HE2 GLN 18 1HE2 GLN 18 -3.131 -8.531 6.104
136 2HE2 GLN 18 2HE2 GLN 18 -2.336 -9.669 7.133
137 H GLU 19 H GLU 19 0.766 -3.297 4.631
138 HA GLU 19 HA GLU 19 -1.251 -1.529 5.471
139 1HB GLU 19 2HB GLU 19 1.553 -1.273 4.537
140 2HB GLU 19 1HB GLU 19 0.562 0.178 4.463
141 1HG GLU 19 2HG GLU 19 0.081 -0.002 6.834
142 2HG GLU 19 1HG GLU 19 1.013 -1.496 6.923
143 H CYS 20 H CYS 20 0.203 -2.059 2.275
144 HA CYS 20 HA CYS 20 -1.181 -0.060 0.901
145 1HB CYS 20 2HB CYS 20 0.733 -1.852 0.221
146 2HB CYS 20 1HB CYS 20 -0.662 -2.560 -0.586
147 H GLN 21 H GLN 21 -1.974 -3.527 1.191
148 HA GLN 21 HA GLN 21 -4.351 -3.482 -0.249
149 1HB GLN 21 2HB GLN 21 -4.915 -5.556 0.856
150 2HB GLN 21 1HB GLN 21 -3.193 -5.539 0.507
151 1HG GLN 21 2HG GLN 21 -2.615 -5.254 2.736
152 2HG GLN 21 1HG GLN 21 -4.225 -4.701 3.185
153 1HE2 GLN 21 1HE2 GLN 21 -5.892 -6.537 2.277
154 2HE2 GLN 21 2HE2 GLN 21 -5.562 -8.093 2.953
155 H ASP 22 H ASP 22 -3.712 -2.618 3.095
156 HA ASP 22 HA ASP 22 -6.409 -2.450 3.939
157 1HB ASP 22 2HB ASP 22 -4.450 -2.585 5.476
158 2HB ASP 22 1HB ASP 22 -4.027 -0.936 5.028
159 H CYS 23 H CYS 23 -4.204 -0.167 2.427
160 HA CYS 23 HA CYS 23 -5.814 2.133 2.772
161 1HB CYS 23 2HB CYS 23 -3.280 1.781 2.008
162 2HB CYS 23 1HB CYS 23 -4.026 1.944 0.427
163 H CYS 24 H CYS 24 -5.156 0.278 -0.197
164 HA CYS 24 HA CYS 24 -6.977 1.438 -1.872
165 1HB CYS 24 2HB CYS 24 -5.259 -0.423 -2.321
166 2HB CYS 24 1HB CYS 24 -6.536 -1.537 -1.856
167 H LYS 25 H LYS 25 -7.567 -1.330 0.287
168 HA LYS 25 HA LYS 25 -10.238 -1.800 -0.306
169 1HB LYS 25 2HB LYS 25 -8.386 -2.474 1.806
170 2HB LYS 25 1HB LYS 25 -9.981 -2.160 2.472
171 1HG LYS 25 2HG LYS 25 -10.866 -3.771 0.727
172 2HG LYS 25 1HG LYS 25 -9.185 -4.222 0.445
173 1HD LYS 25 2HD LYS 25 -10.794 -4.521 2.971
174 2HD LYS 25 1HD LYS 25 -10.037 -5.789 2.005
175 1HE LYS 25 2HE LYS 25 -8.562 -5.596 3.770
176 2HE LYS 25 1HE LYS 25 -7.830 -4.528 2.573
177 1HZ LYS 25 1HZ LYS 25 -8.326 -2.688 3.775
178 2HZ LYS 25 2HZ LYS 25 -8.249 -3.785 5.062
179 3HZ LYS 25 3HZ LYS 25 -9.749 -3.338 4.422
180 H ASN 26 H ASN 26 -8.854 0.352 2.158
181 HA ASN 26 HA ASN 26 -11.231 1.345 3.210
182 1HB ASN 26 2HB ASN 26 -8.532 1.750 3.638
183 2HB ASN 26 1HB ASN 26 -9.082 3.321 3.072
184 1HD2 ASN 26 1HD2 ASN 26 -8.645 1.436 5.723
185 2HD2 ASN 26 2HD2 ASN 26 -9.723 2.220 6.820
186 H ALA 27 H ALA 27 -9.612 2.052 0.230
187 HA ALA 27 HA ALA 27 -10.977 4.539 -0.250
188 1HB ALA 27 1HB ALA 27 -9.837 3.070 -2.541
189 2HB ALA 27 2HB ALA 27 -8.709 3.482 -1.249
190 3HB ALA 27 3HB ALA 27 -9.631 4.752 -2.053
191 H GLY 28 H GLY 28 -11.468 1.163 -0.984
192 1HA GLY 28 2HA GLY 28 -13.938 0.671 -1.205
193 2HA GLY 28 1HA GLY 28 -13.890 1.858 -2.497
194 H HIS 29 H HIS 29 -11.446 -0.582 -1.789
195 HA HIS 29 HA HIS 29 -12.228 -2.031 -4.220
196 1HB HIS 29 2HB HIS 29 -9.392 -1.239 -3.549
197 2HB HIS 29 1HB HIS 29 -9.917 -2.129 -4.973
198 HD1 HIS 29 1HD HIS 29 -11.995 -0.570 -6.252
199 HD2 HIS 29 2HD HIS 29 -8.880 1.315 -4.248
200 HE1 HIS 29 1HE HIS 29 -11.898 1.757 -7.198
201 HE2 HIS 29 2HE HIS 29 -9.942 2.845 -6.042
202 H ASN 30 H ASN 30 -9.699 -3.652 -3.940
203 HA ASN 30 HA ASN 30 -10.516 -5.230 -1.594
204 1HB ASN 30 2HB ASN 30 -10.635 -6.015 -4.239
205 2HB ASN 30 1HB ASN 30 -9.119 -6.721 -3.687
206 1HD2 ASN 30 1HD2 ASN 30 -9.809 -7.188 -1.020
207 2HD2 ASN 30 2HD2 ASN 30 -10.998 -8.440 -0.975
208 H GLY 31 H GLY 31 -7.801 -4.160 -3.604
209 1HA GLY 31 2HA GLY 31 -6.035 -3.873 -1.468
210 2HA GLY 31 1HA GLY 31 -5.780 -5.482 -2.126
211 H GLY 32 H GLY 32 -3.676 -4.950 -2.775
212 1HA GLY 32 2HA GLY 32 -3.493 -3.927 -5.424
213 2HA GLY 32 1HA GLY 32 -2.878 -2.760 -4.264
214 H THR 33 H THR 33 -0.862 -3.085 -5.490
215 HA THR 33 HA THR 33 0.640 -5.354 -4.378
216 HB THR 33 HB THR 33 0.181 -5.895 -6.696
217 HG1 THR 33 1HG THR 33 2.848 -4.958 -6.534
218 1HG2 THR 33 1HG2 THR 33 1.434 -3.246 -7.371
219 2HG2 THR 33 2HG2 THR 33 -0.243 -3.724 -7.643
220 3HG2 THR 33 3HG2 THR 33 1.057 -4.519 -8.531
221 H CYS 34 H CYS 34 3.004 -5.002 -4.402
222 HA CYS 34 HA CYS 34 3.620 -2.168 -3.901
223 1HB CYS 34 2HB CYS 34 3.789 -3.919 -2.020
224 2HB CYS 34 1HB CYS 34 5.221 -4.490 -2.862
225 H MET 35 H MET 35 5.002 -1.184 -5.218
226 HA MET 35 HA MET 35 6.919 -2.820 -6.736
227 1HB MET 35 2HB MET 35 4.906 -0.870 -7.726
228 2HB MET 35 1HB MET 35 6.478 -0.874 -8.512
229 1HG MET 35 2HG MET 35 5.217 -3.508 -8.136
230 2HG MET 35 1HG MET 35 4.421 -2.418 -9.269
231 1HE MET 35 1HE MET 35 6.227 -2.978 -12.398
232 2HE MET 35 2HE MET 35 5.048 -2.002 -11.521
233 3HE MET 35 3HE MET 35 4.876 -3.756 -11.572
234 H PHE 36 H PHE 36 8.749 -2.268 -5.643
235 HA PHE 36 HA PHE 36 10.454 -1.008 -4.806
236 1HB PHE 36 2HB PHE 36 10.857 -0.704 -7.167
237 2HB PHE 36 1HB PHE 36 9.682 0.597 -7.237
238 HD1 PHE 36 1HD PHE 36 12.467 -0.114 -4.898
239 HD2 PHE 36 2HD PHE 36 10.781 2.559 -7.735
240 HE1 PHE 36 1HE PHE 36 14.263 1.504 -4.425
241 HE2 PHE 36 2HE PHE 36 12.568 4.188 -7.274
242 HZ PHE 36 HZ PHE 36 14.314 3.661 -5.619
243 H PHE 37 H PHE 37 8.653 -0.563 -3.080
244 HA PHE 37 HA PHE 37 7.937 0.862 -1.470
245 1HB PHE 37 2HB PHE 37 9.511 3.020 -2.877
246 2HB PHE 37 1HB PHE 37 9.032 2.972 -1.183
247 HD1 PHE 37 1HD PHE 37 9.711 0.040 -0.723
248 HD2 PHE 37 2HD PHE 37 11.855 3.221 -2.563
249 HE1 PHE 37 1HE PHE 37 11.831 -1.066 -0.151
250 HE2 PHE 37 2HE PHE 37 13.982 2.117 -1.997
251 HZ PHE 37 HZ PHE 37 13.969 -0.034 -0.790
252 H LYS 38 H LYS 38 6.702 0.732 -4.317
253 HA LYS 38 HA LYS 38 5.123 3.204 -4.156
254 1HB LYS 38 2HB LYS 38 5.333 1.194 -6.406
255 2HB LYS 38 1HB LYS 38 4.350 2.650 -6.433
256 1HG LYS 38 2HG LYS 38 7.345 2.621 -6.140
257 2HG LYS 38 1HG LYS 38 6.480 2.878 -7.657
258 1HD LYS 38 2HD LYS 38 5.333 4.668 -5.840
259 2HD LYS 38 1HD LYS 38 7.069 4.747 -5.537
260 1HE LYS 38 2HE LYS 38 7.541 5.470 -7.688
261 2HE LYS 38 1HE LYS 38 6.027 4.844 -8.338
262 1HZ LYS 38 1HZ LYS 38 4.837 6.627 -7.501
263 2HZ LYS 38 2HZ LYS 38 6.273 7.359 -8.012
264 3HZ LYS 38 3HZ LYS 38 6.025 7.041 -6.369
265 H CYS 39 H CYS 39 2.930 3.156 -3.860
266 HA CYS 39 HA CYS 39 1.823 0.547 -3.094
267 1HB CYS 39 2HB CYS 39 1.883 2.984 -1.731
268 2HB CYS 39 1HB CYS 39 0.222 2.828 -2.290
269 H LYS 40 H LYS 40 1.086 -0.162 -5.090
270 HA LYS 40 HA LYS 40 -0.895 1.529 -6.450
271 1HB LYS 40 2HB LYS 40 1.158 0.283 -7.583
272 2HB LYS 40 1HB LYS 40 0.032 -1.067 -7.597
273 1HG LYS 40 2HG LYS 40 -0.745 -0.257 -9.509
274 2HG LYS 40 1HG LYS 40 -1.455 1.057 -8.570
275 1HD LYS 40 2HD LYS 40 0.651 2.334 -8.848
276 2HD LYS 40 1HD LYS 40 1.263 1.039 -9.879
277 1HE LYS 40 2HE LYS 40 -1.152 1.570 -11.026
278 2HE LYS 40 1HE LYS 40 -0.666 3.168 -10.464
279 1HZ LYS 40 1HZ LYS 40 1.507 2.743 -11.607
280 2HZ LYS 40 2HZ LYS 40 0.177 2.916 -12.638
281 3HZ LYS 40 3HZ LYS 40 0.801 1.377 -12.314
282 H CYS 41 H CYS 41 -2.857 0.425 -7.281
283 HA CYS 41 HA CYS 41 -3.916 -1.352 -5.229
284 1HB CYS 41 2HB CYS 41 -5.079 0.530 -7.215
285 2HB CYS 41 1HB CYS 41 -6.060 -0.818 -6.691
286 H ALA 42 H ALA 42 -5.877 -2.686 -6.428
287 HA ALA 42 HA ALA 42 -4.467 -4.394 -8.373
288 1HB ALA 42 1HB ALA 42 -4.854 -5.879 -6.711
289 2HB ALA 42 2HB ALA 42 -6.422 -6.005 -7.508
290 3HB ALA 42 3HB ALA 42 -6.237 -4.985 -6.082
Start of MODEL 4
1 1H ASP 1 1HT ASP 1 -11.129 11.874 -3.418
2 2H ASP 1 2HT ASP 1 -12.521 12.872 -3.322
3 3H ASP 1 3HT ASP 1 -10.981 13.571 -3.615
4 HA ASP 1 HA ASP 1 -12.627 11.915 -5.389
5 1HB ASP 1 2HB ASP 1 -11.398 14.676 -5.501
6 2HB ASP 1 1HB ASP 1 -12.146 13.894 -6.891
7 H ARG 2 H ARG 2 -9.380 13.214 -4.813
8 HA ARG 2 HA ARG 2 -8.315 11.138 -6.595
9 1HB ARG 2 2HB ARG 2 -7.745 14.087 -6.674
10 2HB ARG 2 1HB ARG 2 -6.543 12.929 -7.229
11 1HG ARG 2 2HG ARG 2 -8.058 12.083 -8.899
12 2HG ARG 2 1HG ARG 2 -9.353 13.115 -8.292
13 1HD ARG 2 2HD ARG 2 -8.086 13.892 -10.373
14 2HD ARG 2 1HD ARG 2 -8.331 15.062 -9.080
15 HE ARG 2 HE ARG 2 -5.814 13.847 -9.894
16 1HH1 ARG 2 1HH1 ARG 2 -7.516 15.846 -7.585
17 2HH1 ARG 2 2HH1 ARG 2 -6.072 16.584 -6.979
18 1HH2 ARG 2 1HH2 ARG 2 -3.923 14.820 -9.093
19 2HH2 ARG 2 2HH2 ARG 2 -4.036 16.003 -7.833
20 H ASP 3 H ASP 3 -8.400 10.699 -3.970
21 HA ASP 3 HA ASP 3 -6.308 11.677 -2.393
22 1HB ASP 3 2HB ASP 3 -8.233 10.394 -1.513
23 2HB ASP 3 1HB ASP 3 -7.594 8.939 -2.272
24 H SER 4 H SER 4 -6.429 8.405 -3.808
25 HA SER 4 HA SER 4 -4.804 7.040 -4.626
26 1HB SER 4 2HB SER 4 -4.431 9.382 -5.925
27 2HB SER 4 1HB SER 4 -2.867 9.226 -5.125
28 HG SER 4 HG SER 4 -3.502 8.108 -7.333
29 H CYS 5 H CYS 5 -4.054 5.865 -2.961
30 HA CYS 5 HA CYS 5 -2.454 6.973 -0.865
31 1HB CYS 5 2HB CYS 5 -4.048 4.854 -0.920
32 2HB CYS 5 1HB CYS 5 -2.553 4.031 -1.348
33 H VAL 6 H VAL 6 -1.756 5.843 -3.994
34 HA VAL 6 HA VAL 6 0.687 4.599 -3.791
35 HB VAL 6 HB VAL 6 0.041 6.636 -5.892
36 1HG1 VAL 6 1HG1 VAL 6 1.958 4.361 -5.678
37 2HG1 VAL 6 2HG1 VAL 6 2.225 6.003 -6.268
38 3HG1 VAL 6 3HG1 VAL 6 1.339 4.843 -7.258
39 1HG2 VAL 6 1HG2 VAL 6 -1.647 5.385 -6.609
40 2HG2 VAL 6 2HG2 VAL 6 -1.423 4.306 -5.233
41 3HG2 VAL 6 3HG2 VAL 6 -0.571 3.993 -6.745
42 H ASP 7 H ASP 7 -0.064 7.994 -3.432
43 HA ASP 7 HA ASP 7 2.786 8.522 -2.888
44 1HB ASP 7 2HB ASP 7 1.417 9.714 -4.849
45 2HB ASP 7 1HB ASP 7 0.943 10.772 -3.523
46 H LYS 8 H LYS 8 0.801 7.514 -1.016
47 HA LYS 8 HA LYS 8 0.879 9.726 0.921
48 1HB LYS 8 2HB LYS 8 -1.440 9.039 -0.128
49 2HB LYS 8 1HB LYS 8 -1.334 7.721 1.030
50 1HG LYS 8 2HG LYS 8 -2.432 9.210 2.323
51 2HG LYS 8 1HG LYS 8 -0.785 9.738 2.674
52 1HD LYS 8 2HD LYS 8 -1.852 11.734 2.174
53 2HD LYS 8 1HD LYS 8 -1.119 11.300 0.629
54 1HE LYS 8 2HE LYS 8 -3.181 11.659 -0.189
55 2HE LYS 8 1HE LYS 8 -3.516 10.045 0.438
56 1HZ LYS 8 1HZ LYS 8 -3.829 12.233 2.324
57 2HZ LYS 8 2HZ LYS 8 -4.783 10.855 2.094
58 3HZ LYS 8 3HZ LYS 8 -4.955 12.184 1.063
59 H SER 9 H SER 9 0.420 6.208 0.593
60 HA SER 9 HA SER 9 1.750 5.857 3.189
61 1HB SER 9 2HB SER 9 -0.555 4.855 2.765
62 2HB SER 9 1HB SER 9 0.240 3.739 1.653
63 HG SER 9 HG SER 9 -0.051 3.310 4.131
64 H ARG 10 H ARG 10 3.738 5.040 3.292
65 HA ARG 10 HA ARG 10 5.330 4.606 1.050
66 1HB ARG 10 2HB ARG 10 5.779 4.948 3.692
67 2HB ARG 10 1HB ARG 10 6.081 3.221 3.553
68 1HG ARG 10 2HG ARG 10 8.157 3.983 3.149
69 2HG ARG 10 1HG ARG 10 7.546 4.021 1.498
70 1HD ARG 10 2HD ARG 10 7.781 6.230 1.385
71 2HD ARG 10 1HD ARG 10 6.928 6.467 2.910
72 HE ARG 10 HE ARG 10 9.229 5.776 3.887
73 1HH1 ARG 10 1HH1 ARG 10 8.706 7.758 1.054
74 2HH1 ARG 10 2HH1 ARG 10 10.200 8.613 1.230
75 1HH2 ARG 10 1HH2 ARG 10 11.188 6.905 4.112
76 2HH2 ARG 10 2HH2 ARG 10 11.607 8.131 2.962
77 H CYS 11 H CYS 11 6.746 2.275 1.541
78 HA CYS 11 HA CYS 11 5.184 -0.053 1.744
79 1HB CYS 11 2HB CYS 11 4.499 1.068 -0.547
80 2HB CYS 11 1HB CYS 11 6.008 0.359 -1.103
81 H ALA 12 H ALA 12 6.452 -1.989 0.751
82 HA ALA 12 HA ALA 12 9.220 -1.654 1.571
83 1HB ALA 12 1HB ALA 12 8.974 -4.287 0.915
84 2HB ALA 12 2HB ALA 12 7.321 -3.879 1.380
85 3HB ALA 12 3HB ALA 12 8.648 -3.611 2.510
86 H LYS 13 H LYS 13 10.648 -3.408 0.164
87 HA LYS 13 HA LYS 13 11.308 -2.098 -2.180
88 1HB LYS 13 2HB LYS 13 12.530 -3.971 -0.785
89 2HB LYS 13 1HB LYS 13 11.794 -5.034 -1.972
90 1HG LYS 13 2HG LYS 13 13.207 -4.412 -3.590
91 2HG LYS 13 1HG LYS 13 13.137 -2.711 -3.130
92 1HD LYS 13 2HD LYS 13 15.058 -2.856 -2.012
93 2HD LYS 13 1HD LYS 13 14.499 -4.270 -1.117
94 1HE LYS 13 2HE LYS 13 14.983 -5.295 -3.615
95 2HE LYS 13 1HE LYS 13 16.260 -4.090 -3.442
96 1HZ LYS 13 1HZ LYS 13 16.444 -6.576 -2.517
97 2HZ LYS 13 2HZ LYS 13 15.825 -5.808 -1.142
98 3HZ LYS 13 3HZ LYS 13 17.271 -5.268 -1.834
99 H TYR 14 H TYR 14 9.208 -4.921 -1.746
100 HA TYR 14 HA TYR 14 7.432 -4.344 -3.753
101 1HB TYR 14 2HB TYR 14 8.285 -6.201 -5.423
102 2HB TYR 14 1HB TYR 14 8.843 -4.540 -5.558
103 HD1 TYR 14 1HD TYR 14 9.888 -7.300 -3.264
104 HD2 TYR 14 2HD TYR 14 11.010 -4.611 -6.363
105 HE1 TYR 14 1HE TYR 14 12.214 -8.077 -3.087
106 HE2 TYR 14 2HE TYR 14 13.340 -5.379 -6.194
107 HH TYR 14 HH TYR 14 14.449 -7.330 -3.608
108 H GLY 15 H GLY 15 6.003 -6.152 -4.316
109 1HA GLY 15 2HA GLY 15 5.445 -8.503 -3.982
110 2HA GLY 15 1HA GLY 15 6.291 -8.421 -2.446
111 H TYR 16 H TYR 16 4.796 -8.808 -0.952
112 HA TYR 16 HA TYR 16 2.172 -7.528 -1.181
113 1HB TYR 16 2HB TYR 16 2.584 -10.060 -0.698
114 2HB TYR 16 1HB TYR 16 2.897 -9.514 0.946
115 HD1 TYR 16 1HD TYR 16 1.039 -7.948 1.967
116 HD2 TYR 16 2HD TYR 16 0.419 -10.612 -1.292
117 HE1 TYR 16 1HE TYR 16 -1.376 -7.944 2.431
118 HE2 TYR 16 2HE TYR 16 -1.997 -10.615 -0.838
119 HH TYR 16 HH TYR 16 -3.381 -9.923 1.766
120 H TYR 17 H TYR 17 1.335 -6.194 0.379
121 HA TYR 17 HA TYR 17 2.817 -5.620 2.795
122 1HB TYR 17 2HB TYR 17 3.759 -4.179 0.853
123 2HB TYR 17 1HB TYR 17 2.252 -3.283 0.987
124 HD1 TYR 17 1HD TYR 17 2.881 -1.210 1.859
125 HD2 TYR 17 2HD TYR 17 4.350 -4.762 3.686
126 HE1 TYR 17 1HE TYR 17 3.842 0.132 3.684
127 HE2 TYR 17 2HE TYR 17 5.311 -3.431 5.515
128 HH TYR 17 HH TYR 17 4.481 -0.587 6.356
129 H GLN 18 H GLN 18 1.130 -6.029 4.098
130 HA GLN 18 HA GLN 18 -1.546 -5.705 3.658
131 1HB GLN 18 2HB GLN 18 -0.135 -6.612 5.727
132 2HB GLN 18 1HB GLN 18 -0.563 -5.040 6.386
133 1HG GLN 18 2HG GLN 18 -2.939 -5.549 5.973
134 2HG GLN 18 1HG GLN 18 -2.472 -7.152 5.409
135 1HE2 GLN 18 1HE2 GLN 18 -4.117 -6.216 7.711
136 2HE2 GLN 18 2HE2 GLN 18 -3.425 -6.986 9.094
137 H GLU 19 H GLU 19 0.773 -3.226 4.452
138 HA GLU 19 HA GLU 19 -1.026 -1.234 5.311
139 1HB GLU 19 2HB GLU 19 1.737 -1.450 4.944
140 2HB GLU 19 1HB GLU 19 1.244 -0.152 3.863
141 1HG GLU 19 2HG GLU 19 0.249 1.057 5.685
142 2HG GLU 19 1HG GLU 19 0.557 -0.282 6.790
143 H CYS 20 H CYS 20 0.357 -1.916 2.111
144 HA CYS 20 HA CYS 20 -0.985 0.176 0.769
145 1HB CYS 20 2HB CYS 20 1.046 -1.135 -0.032
146 2HB CYS 20 1HB CYS 20 -0.074 -2.411 -0.489
147 H GLN 21 H GLN 21 -1.643 -3.332 0.790
148 HA GLN 21 HA GLN 21 -3.992 -3.270 -0.680
149 1HB GLN 21 2HB GLN 21 -4.494 -5.445 0.235
150 2HB GLN 21 1HB GLN 21 -2.771 -5.328 -0.091
151 1HG GLN 21 2HG GLN 21 -2.325 -5.883 1.976
152 2HG GLN 21 1HG GLN 21 -3.213 -4.487 2.574
153 1HE2 GLN 21 1HE2 GLN 21 -4.858 -4.903 3.861
154 2HE2 GLN 21 2HE2 GLN 21 -5.732 -6.391 3.951
155 H ASP 22 H ASP 22 -3.458 -2.565 2.700
156 HA ASP 22 HA ASP 22 -6.174 -2.646 3.512
157 1HB ASP 22 2HB ASP 22 -4.313 -2.768 5.118
158 2HB ASP 22 1HB ASP 22 -3.853 -1.118 4.714
159 H CYS 23 H CYS 23 -4.037 -0.016 2.459
160 HA CYS 23 HA CYS 23 -5.805 2.109 2.821
161 1HB CYS 23 2HB CYS 23 -3.258 1.943 2.051
162 2HB CYS 23 1HB CYS 23 -4.004 2.155 0.479
163 H CYS 24 H CYS 24 -5.044 0.475 -0.249
164 HA CYS 24 HA CYS 24 -6.937 1.625 -1.862
165 1HB CYS 24 2HB CYS 24 -5.139 -0.047 -2.506
166 2HB CYS 24 1HB CYS 24 -6.248 -1.312 -1.988
167 H LYS 25 H LYS 25 -7.368 -1.418 -0.053
168 HA LYS 25 HA LYS 25 -10.028 -1.881 -0.672
169 1HB LYS 25 2HB LYS 25 -8.710 -3.571 0.399
170 2HB LYS 25 1HB LYS 25 -8.423 -2.545 1.794
171 1HG LYS 25 2HG LYS 25 -11.139 -2.692 1.789
172 2HG LYS 25 1HG LYS 25 -10.694 -4.278 1.158
173 1HD LYS 25 2HD LYS 25 -10.100 -4.966 3.186
174 2HD LYS 25 1HD LYS 25 -8.988 -3.610 3.361
175 1HE LYS 25 2HE LYS 25 -11.859 -3.009 3.700
176 2HE LYS 25 1HE LYS 25 -11.113 -3.995 4.956
177 1HZ LYS 25 1HZ LYS 25 -9.641 -1.624 4.132
178 2HZ LYS 25 2HZ LYS 25 -9.855 -2.285 5.675
179 3HZ LYS 25 3HZ LYS 25 -11.079 -1.348 4.980
180 H ASN 26 H ASN 26 -8.617 0.302 1.672
181 HA ASN 26 HA ASN 26 -11.064 0.842 3.058
182 1HB ASN 26 2HB ASN 26 -8.376 1.340 3.524
183 2HB ASN 26 1HB ASN 26 -9.046 2.938 3.231
184 1HD2 ASN 26 1HD2 ASN 26 -8.552 0.542 5.498
185 2HD2 ASN 26 2HD2 ASN 26 -9.621 1.117 6.726
186 H ALA 27 H ALA 27 -9.554 2.022 0.185
187 HA ALA 27 HA ALA 27 -10.965 4.525 0.113
188 1HB ALA 27 1HB ALA 27 -9.693 5.014 -1.686
189 2HB ALA 27 2HB ALA 27 -9.911 3.421 -2.408
190 3HB ALA 27 3HB ALA 27 -8.735 3.649 -1.115
191 H GLY 28 H GLY 28 -11.262 1.411 -1.554
192 1HA GLY 28 2HA GLY 28 -13.925 1.070 -1.583
193 2HA GLY 28 1HA GLY 28 -13.700 2.239 -2.875
194 H HIS 29 H HIS 29 -11.508 -0.391 -2.012
195 HA HIS 29 HA HIS 29 -12.314 -1.850 -4.415
196 1HB HIS 29 2HB HIS 29 -9.436 -1.138 -3.822
197 2HB HIS 29 1HB HIS 29 -10.031 -2.031 -5.217
198 HD1 HIS 29 1HD HIS 29 -12.018 -0.450 -6.541
199 HD2 HIS 29 2HD HIS 29 -8.909 1.416 -4.511
200 HE1 HIS 29 1HE HIS 29 -11.874 1.865 -7.513
201 HE2 HIS 29 2HE HIS 29 -9.925 2.942 -6.334
202 H ASN 30 H ASN 30 -9.891 -3.567 -4.157
203 HA ASN 30 HA ASN 30 -10.764 -5.082 -1.795
204 1HB ASN 30 2HB ASN 30 -9.331 -6.190 -4.211
205 2HB ASN 30 1HB ASN 30 -10.135 -7.094 -2.932
206 1HD2 ASN 30 1HD2 ASN 30 -12.518 -6.024 -2.658
207 2HD2 ASN 30 2HD2 ASN 30 -13.424 -6.077 -4.128
208 H GLY 31 H GLY 31 -7.932 -4.037 -3.643
209 1HA GLY 31 2HA GLY 31 -6.317 -3.608 -1.417
210 2HA GLY 31 1HA GLY 31 -6.003 -5.248 -1.962
211 H GLY 32 H GLY 32 -3.876 -4.759 -2.520
212 1HA GLY 32 2HA GLY 32 -3.545 -3.806 -5.195
213 2HA GLY 32 1HA GLY 32 -2.928 -2.657 -4.018
214 H THR 33 H THR 33 -0.878 -3.081 -5.149
215 HA THR 33 HA THR 33 0.517 -5.311 -3.862
216 HB THR 33 HB THR 33 0.122 -6.239 -5.999
217 HG1 THR 33 1HG THR 33 2.177 -6.417 -6.801
218 1HG2 THR 33 1HG2 THR 33 0.103 -3.545 -6.914
219 2HG2 THR 33 2HG2 THR 33 -0.397 -5.012 -7.755
220 3HG2 THR 33 3HG2 THR 33 1.278 -4.468 -7.852
221 H CYS 34 H CYS 34 2.878 -5.053 -3.886
222 HA CYS 34 HA CYS 34 3.589 -2.219 -3.668
223 1HB CYS 34 2HB CYS 34 3.926 -3.952 -1.770
224 2HB CYS 34 1HB CYS 34 5.306 -4.490 -2.718
225 H MET 35 H MET 35 4.957 -1.276 -5.039
226 HA MET 35 HA MET 35 6.686 -2.960 -6.711
227 1HB MET 35 2HB MET 35 4.610 -1.004 -7.568
228 2HB MET 35 1HB MET 35 6.100 -1.075 -8.498
229 1HG MET 35 2HG MET 35 5.737 -3.513 -8.789
230 2HG MET 35 1HG MET 35 4.178 -3.330 -7.988
231 1HE MET 35 1HE MET 35 2.078 -3.304 -9.480
232 2HE MET 35 2HE MET 35 3.178 -4.553 -10.068
233 3HE MET 35 3HE MET 35 2.337 -3.508 -11.213
234 H PHE 36 H PHE 36 8.555 -2.363 -5.648
235 HA PHE 36 HA PHE 36 10.302 -1.072 -4.967
236 1HB PHE 36 2HB PHE 36 10.636 -0.938 -7.352
237 2HB PHE 36 1HB PHE 36 9.469 0.365 -7.481
238 HD1 PHE 36 1HD PHE 36 12.674 -0.481 -5.835
239 HD2 PHE 36 2HD PHE 36 10.216 2.558 -7.498
240 HE1 PHE 36 1HE PHE 36 14.502 1.143 -5.543
241 HE2 PHE 36 2HE PHE 36 12.034 4.193 -7.213
242 HZ PHE 36 HZ PHE 36 14.182 3.486 -6.234
243 H PHE 37 H PHE 37 8.601 -0.488 -3.207
244 HA PHE 37 HA PHE 37 7.910 1.045 -1.690
245 1HB PHE 37 2HB PHE 37 9.510 3.099 -3.211
246 2HB PHE 37 1HB PHE 37 9.102 3.094 -1.498
247 HD1 PHE 37 1HD PHE 37 9.743 0.211 -0.917
248 HD2 PHE 37 2HD PHE 37 11.857 3.194 -3.093
249 HE1 PHE 37 1HE PHE 37 11.862 -0.933 -0.416
250 HE2 PHE 37 2HE PHE 37 13.982 2.054 -2.597
251 HZ PHE 37 HZ PHE 37 13.984 -0.016 -1.258
252 H LYS 38 H LYS 38 6.622 0.787 -4.493
253 HA LYS 38 HA LYS 38 5.062 3.284 -4.369
254 1HB LYS 38 2HB LYS 38 5.313 1.381 -6.705
255 2HB LYS 38 1HB LYS 38 4.446 2.908 -6.693
256 1HG LYS 38 2HG LYS 38 6.756 3.916 -6.064
257 2HG LYS 38 1HG LYS 38 7.387 2.408 -6.728
258 1HD LYS 38 2HD LYS 38 7.338 3.521 -8.683
259 2HD LYS 38 1HD LYS 38 5.618 3.125 -8.657
260 1HE LYS 38 2HE LYS 38 6.375 5.553 -7.177
261 2HE LYS 38 1HE LYS 38 6.613 5.633 -8.922
262 1HZ LYS 38 1HZ LYS 38 4.463 6.168 -8.982
263 2HZ LYS 38 2HZ LYS 38 4.172 5.629 -7.406
264 3HZ LYS 38 3HZ LYS 38 4.153 4.530 -8.690
265 H CYS 39 H CYS 39 3.084 3.113 -3.574
266 HA CYS 39 HA CYS 39 1.918 0.480 -3.187
267 1HB CYS 39 2HB CYS 39 1.922 2.026 -1.302
268 2HB CYS 39 1HB CYS 39 1.022 3.210 -2.243
269 H LYS 40 H LYS 40 1.028 -0.257 -5.036
270 HA LYS 40 HA LYS 40 -0.864 1.496 -6.453
271 1HB LYS 40 2HB LYS 40 1.162 0.203 -7.577
272 2HB LYS 40 1HB LYS 40 0.012 -1.127 -7.580
273 1HG LYS 40 2HG LYS 40 -1.393 -0.089 -9.074
274 2HG LYS 40 1HG LYS 40 -0.819 1.526 -8.656
275 1HD LYS 40 2HD LYS 40 1.387 0.886 -9.697
276 2HD LYS 40 1HD LYS 40 0.589 -0.567 -10.303
277 1HE LYS 40 2HE LYS 40 -0.299 2.260 -10.870
278 2HE LYS 40 1HE LYS 40 0.668 1.267 -11.963
279 1HZ LYS 40 1HZ LYS 40 -1.106 -0.215 -12.277
280 2HZ LYS 40 2HZ LYS 40 -1.803 1.323 -12.382
281 3HZ LYS 40 3HZ LYS 40 -1.986 0.406 -10.972
282 H CYS 41 H CYS 41 -2.842 0.416 -7.298
283 HA CYS 41 HA CYS 41 -3.978 -1.264 -5.218
284 1HB CYS 41 2HB CYS 41 -5.059 0.488 -7.372
285 2HB CYS 41 1HB CYS 41 -6.069 -0.802 -6.761
286 H ALA 42 H ALA 42 -5.898 -2.660 -6.406
287 HA ALA 42 HA ALA 42 -4.714 -4.202 -8.593
288 1HB ALA 42 1HB ALA 42 -3.964 -5.670 -7.041
289 2HB ALA 42 2HB ALA 42 -5.624 -6.258 -7.138
290 3HB ALA 42 3HB ALA 42 -5.149 -5.169 -5.834
Start of MODEL 5
1 1H ASP 1 1HT ASP 1 -3.801 10.750 -8.541
2 2H ASP 1 2HT ASP 1 -3.292 12.166 -9.368
3 3H ASP 1 3HT ASP 1 -4.141 12.295 -7.882
4 HA ASP 1 HA ASP 1 -1.400 11.401 -8.383
5 1HB ASP 1 2HB ASP 1 -2.456 13.823 -7.748
6 2HB ASP 1 1HB ASP 1 -2.175 13.166 -6.138
7 H ARG 2 H ARG 2 -3.884 11.581 -5.828
8 HA ARG 2 HA ARG 2 -2.572 9.282 -4.529
9 1HB ARG 2 2HB ARG 2 -4.280 11.373 -3.177
10 2HB ARG 2 1HB ARG 2 -3.341 10.105 -2.400
11 1HG ARG 2 2HG ARG 2 -1.333 11.180 -2.770
12 2HG ARG 2 1HG ARG 2 -1.971 12.131 -4.112
13 1HD ARG 2 2HD ARG 2 -1.613 13.532 -2.155
14 2HD ARG 2 1HD ARG 2 -3.329 13.429 -2.546
15 HE ARG 2 HE ARG 2 -3.009 11.473 -0.715
16 1HH1 ARG 2 1HH1 ARG 2 -2.130 14.849 -0.751
17 2HH1 ARG 2 2HH1 ARG 2 -2.284 15.037 0.963
18 1HH2 ARG 2 1HH2 ARG 2 -3.211 11.717 1.540
19 2HH2 ARG 2 2HH2 ARG 2 -2.897 13.259 2.265
20 H ASP 3 H ASP 3 -4.089 8.339 -6.336
21 HA ASP 3 HA ASP 3 -6.812 8.000 -5.302
22 1HB ASP 3 2HB ASP 3 -6.072 8.541 -7.815
23 2HB ASP 3 1HB ASP 3 -5.987 6.783 -7.889
24 H SER 4 H SER 4 -3.845 6.272 -5.933
25 HA SER 4 HA SER 4 -5.103 3.802 -4.933
26 1HB SER 4 2HB SER 4 -2.712 4.166 -6.750
27 2HB SER 4 1HB SER 4 -3.196 2.618 -6.058
28 HG SER 4 HG SER 4 -4.166 2.704 -8.021
29 H CYS 5 H CYS 5 -3.969 6.058 -3.373
30 HA CYS 5 HA CYS 5 -2.652 6.418 -1.551
31 1HB CYS 5 2HB CYS 5 -3.914 4.220 -0.997
32 2HB CYS 5 1HB CYS 5 -2.362 3.440 -1.272
33 H VAL 6 H VAL 6 -1.377 5.963 -4.230
34 HA VAL 6 HA VAL 6 1.061 4.605 -3.928
35 HB VAL 6 HB VAL 6 0.593 6.949 -5.735
36 1HG1 VAL 6 1HG1 VAL 6 2.788 6.512 -6.066
37 2HG1 VAL 6 2HG1 VAL 6 2.131 5.274 -7.137
38 3HG1 VAL 6 3HG1 VAL 6 2.649 4.845 -5.507
39 1HG2 VAL 6 1HG2 VAL 6 0.241 4.380 -6.993
40 2HG2 VAL 6 2HG2 VAL 6 -0.830 5.780 -6.983
41 3HG2 VAL 6 3HG2 VAL 6 -0.907 4.602 -5.674
42 H ASP 7 H ASP 7 0.336 8.085 -3.698
43 HA ASP 7 HA ASP 7 2.948 8.478 -2.427
44 1HB ASP 7 2HB ASP 7 1.940 10.998 -2.806
45 2HB ASP 7 1HB ASP 7 3.024 10.169 -3.912
46 H LYS 8 H LYS 8 0.507 7.391 -1.104
47 HA LYS 8 HA LYS 8 0.181 9.472 0.956
48 1HB LYS 8 2HB LYS 8 -1.794 8.191 -0.500
49 2HB LYS 8 1HB LYS 8 -1.780 7.312 1.020
50 1HG LYS 8 2HG LYS 8 -2.260 9.261 2.265
51 2HG LYS 8 1HG LYS 8 -1.939 10.307 0.880
52 1HD LYS 8 2HD LYS 8 -4.334 10.092 1.254
53 2HD LYS 8 1HD LYS 8 -3.878 9.349 -0.280
54 1HE LYS 8 2HE LYS 8 -4.038 7.163 0.634
55 2HE LYS 8 1HE LYS 8 -4.169 7.790 2.277
56 1HZ LYS 8 1HZ LYS 8 -6.324 8.632 1.819
57 2HZ LYS 8 2HZ LYS 8 -6.301 7.034 1.267
58 3HZ LYS 8 3HZ LYS 8 -6.184 8.311 0.163
59 H SER 9 H SER 9 0.418 5.969 0.425
60 HA SER 9 HA SER 9 1.451 5.703 3.172
61 1HB SER 9 2HB SER 9 -0.678 4.501 2.793
62 2HB SER 9 1HB SER 9 0.082 3.591 1.488
63 HG SER 9 HG SER 9 0.954 3.598 4.189
64 H ARG 10 H ARG 10 3.334 4.555 3.512
65 HA ARG 10 HA ARG 10 5.086 4.332 1.235
66 1HB ARG 10 2HB ARG 10 5.843 5.270 3.396
67 2HB ARG 10 1HB ARG 10 5.580 3.701 4.148
68 1HG ARG 10 2HG ARG 10 7.558 2.975 3.499
69 2HG ARG 10 1HG ARG 10 7.264 3.447 1.827
70 1HD ARG 10 2HD ARG 10 7.785 5.709 3.594
71 2HD ARG 10 1HD ARG 10 9.126 4.567 3.512
72 HE ARG 10 HE ARG 10 8.519 4.917 0.920
73 1HH1 ARG 10 1HH1 ARG 10 9.077 7.191 3.510
74 2HH1 ARG 10 2HH1 ARG 10 9.699 8.421 2.462
75 1HH2 ARG 10 1HH2 ARG 10 9.336 6.534 -0.457
76 2HH2 ARG 10 2HH2 ARG 10 9.847 8.048 0.209
77 H CYS 11 H CYS 11 6.235 2.437 0.645
78 HA CYS 11 HA CYS 11 5.118 -0.099 1.606
79 1HB CYS 11 2HB CYS 11 4.174 0.822 -0.673
80 2HB CYS 11 1HB CYS 11 5.703 0.234 -1.312
81 H ALA 12 H ALA 12 6.480 -1.982 0.671
82 HA ALA 12 HA ALA 12 9.263 -1.365 1.238
83 1HB ALA 12 1HB ALA 12 9.189 -4.054 0.781
84 2HB ALA 12 2HB ALA 12 7.554 -3.739 1.364
85 3HB ALA 12 3HB ALA 12 8.944 -3.287 2.350
86 H LYS 13 H LYS 13 10.767 -3.030 -0.146
87 HA LYS 13 HA LYS 13 11.200 -1.885 -2.585
88 1HB LYS 13 2HB LYS 13 12.579 -3.638 -1.233
89 2HB LYS 13 1HB LYS 13 11.745 -4.807 -2.244
90 1HG LYS 13 2HG LYS 13 12.790 -4.097 -4.168
91 2HG LYS 13 1HG LYS 13 13.131 -2.494 -3.514
92 1HD LYS 13 2HD LYS 13 15.062 -3.156 -2.564
93 2HD LYS 13 1HD LYS 13 14.398 -4.713 -2.066
94 1HE LYS 13 2HE LYS 13 16.197 -4.973 -3.709
95 2HE LYS 13 1HE LYS 13 14.657 -5.570 -4.323
96 1HZ LYS 13 1HZ LYS 13 14.437 -3.285 -5.379
97 2HZ LYS 13 2HZ LYS 13 15.562 -4.343 -6.068
98 3HZ LYS 13 3HZ LYS 13 16.088 -3.091 -5.060
99 H TYR 14 H TYR 14 9.244 -4.787 -1.966
100 HA TYR 14 HA TYR 14 7.342 -4.265 -3.907
101 1HB TYR 14 2HB TYR 14 8.072 -6.154 -5.543
102 2HB TYR 14 1HB TYR 14 8.771 -4.549 -5.716
103 HD1 TYR 14 1HD TYR 14 9.547 -7.488 -3.529
104 HD2 TYR 14 2HD TYR 14 10.968 -4.683 -6.394
105 HE1 TYR 14 1HE TYR 14 11.796 -8.464 -3.361
106 HE2 TYR 14 2HE TYR 14 13.222 -5.651 -6.234
107 HH TYR 14 HH TYR 14 13.858 -8.607 -4.850
108 H GLY 15 H GLY 15 5.923 -6.138 -4.362
109 1HA GLY 15 2HA GLY 15 5.441 -8.491 -3.834
110 2HA GLY 15 1HA GLY 15 6.216 -8.223 -2.282
111 H TYR 16 H TYR 16 4.648 -8.519 -0.825
112 HA TYR 16 HA TYR 16 2.118 -7.062 -1.213
113 1HB TYR 16 2HB TYR 16 2.072 -9.618 -1.141
114 2HB TYR 16 1HB TYR 16 2.476 -9.468 0.565
115 HD1 TYR 16 1HD TYR 16 0.898 -7.894 1.956
116 HD2 TYR 16 2HD TYR 16 -0.160 -9.669 -1.762
117 HE1 TYR 16 1HE TYR 16 -1.481 -7.604 2.503
118 HE2 TYR 16 2HE TYR 16 -2.543 -9.384 -1.227
119 HH TYR 16 HH TYR 16 -3.871 -9.167 1.204
120 H TYR 17 H TYR 17 1.541 -5.589 0.256
121 HA TYR 17 HA TYR 17 2.835 -5.610 2.886
122 1HB TYR 17 2HB TYR 17 3.986 -3.994 1.314
123 2HB TYR 17 1HB TYR 17 2.482 -3.085 1.263
124 HD1 TYR 17 1HD TYR 17 3.462 -1.070 2.159
125 HD2 TYR 17 2HD TYR 17 3.660 -4.718 4.345
126 HE1 TYR 17 1HE TYR 17 4.151 0.175 4.167
127 HE2 TYR 17 2HE TYR 17 4.344 -3.482 6.355
128 HH TYR 17 HH TYR 17 5.537 -0.494 6.361
129 H GLN 18 H GLN 18 1.197 -5.931 4.234
130 HA GLN 18 HA GLN 18 -1.474 -5.622 3.847
131 1HB GLN 18 2HB GLN 18 -0.049 -6.496 5.902
132 2HB GLN 18 1HB GLN 18 -0.428 -4.904 6.545
133 1HG GLN 18 2HG GLN 18 -2.842 -5.407 6.112
134 2HG GLN 18 1HG GLN 18 -2.357 -7.058 5.728
135 1HE2 GLN 18 1HE2 GLN 18 -3.099 -8.226 7.369
136 2HE2 GLN 18 2HE2 GLN 18 -2.771 -7.931 9.039
137 H GLU 19 H GLU 19 0.809 -3.098 4.658
138 HA GLU 19 HA GLU 19 -1.032 -1.123 5.452
139 1HB GLU 19 2HB GLU 19 1.659 -1.259 5.403
140 2HB GLU 19 1HB GLU 19 1.391 -0.258 3.982
141 1HG GLU 19 2HG GLU 19 0.871 1.528 5.202
142 2HG GLU 19 1HG GLU 19 -0.170 0.600 6.279
143 H CYS 20 H CYS 20 0.334 -1.937 2.288
144 HA CYS 20 HA CYS 20 -0.964 0.164 0.889
145 1HB CYS 20 2HB CYS 20 1.075 -1.148 0.127
146 2HB CYS 20 1HB CYS 20 -0.031 -2.447 -0.302
147 H GLN 21 H GLN 21 -1.615 -3.347 0.938
148 HA GLN 21 HA GLN 21 -3.952 -3.314 -0.542
149 1HB GLN 21 2HB GLN 21 -4.476 -5.463 0.447
150 2HB GLN 21 1HB GLN 21 -2.757 -5.366 0.100
151 1HG GLN 21 2HG GLN 21 -2.253 -5.791 2.189
152 2HG GLN 21 1HG GLN 21 -3.246 -4.458 2.762
153 1HE2 GLN 21 1HE2 GLN 21 -5.746 -5.179 2.209
154 2HE2 GLN 21 2HE2 GLN 21 -6.172 -6.647 3.014
155 H ASP 22 H ASP 22 -3.448 -2.523 2.825
156 HA ASP 22 HA ASP 22 -6.183 -2.551 3.596
157 1HB ASP 22 2HB ASP 22 -4.310 -2.680 5.215
158 2HB ASP 22 1HB ASP 22 -3.880 -1.018 4.824
159 H CYS 23 H CYS 23 -3.963 0.015 2.565
160 HA CYS 23 HA CYS 23 -5.658 2.198 2.850
161 1HB CYS 23 2HB CYS 23 -3.115 1.889 2.080
162 2HB CYS 23 1HB CYS 23 -3.858 2.132 0.513
163 H CYS 24 H CYS 24 -5.006 0.308 -0.081
164 HA CYS 24 HA CYS 24 -6.804 1.536 -1.785
165 1HB CYS 24 2HB CYS 24 -5.047 -0.204 -2.350
166 2HB CYS 24 1HB CYS 24 -6.208 -1.420 -1.829
167 H LYS 25 H LYS 25 -7.403 -1.553 -0.076
168 HA LYS 25 HA LYS 25 -10.054 -1.859 -0.742
169 1HB LYS 25 2HB LYS 25 -10.264 -3.349 1.123
170 2HB LYS 25 1HB LYS 25 -8.647 -3.530 0.460
171 1HG LYS 25 2HG LYS 25 -7.690 -2.942 2.378
172 2HG LYS 25 1HG LYS 25 -8.749 -1.549 2.577
173 1HD LYS 25 2HD LYS 25 -10.539 -3.186 3.309
174 2HD LYS 25 1HD LYS 25 -9.262 -4.401 3.383
175 1HE LYS 25 2HE LYS 25 -9.412 -3.590 5.570
176 2HE LYS 25 1HE LYS 25 -8.023 -2.745 4.886
177 1HZ LYS 25 1HZ LYS 25 -9.156 -0.769 4.791
178 2HZ LYS 25 2HZ LYS 25 -9.817 -1.438 6.197
179 3HZ LYS 25 3HZ LYS 25 -10.682 -1.500 4.745
180 H ASN 26 H ASN 26 -8.662 0.285 1.636
181 HA ASN 26 HA ASN 26 -11.186 0.914 2.874
182 1HB ASN 26 2HB ASN 26 -8.518 1.230 3.579
183 2HB ASN 26 1HB ASN 26 -9.071 2.873 3.283
184 1HD2 ASN 26 1HD2 ASN 26 -8.287 1.819 5.785
185 2HD2 ASN 26 2HD2 ASN 26 -9.662 1.861 6.830
186 H ALA 27 H ALA 27 -9.364 2.024 0.168
187 HA ALA 27 HA ALA 27 -10.565 4.626 0.009
188 1HB ALA 27 1HB ALA 27 -9.469 4.787 -2.154
189 2HB ALA 27 2HB ALA 27 -9.091 3.065 -2.109
190 3HB ALA 27 3HB ALA 27 -8.351 4.161 -0.942
191 H GLY 28 H GLY 28 -11.236 1.446 -1.277
192 1HA GLY 28 2HA GLY 28 -13.796 1.320 -1.618
193 2HA GLY 28 1HA GLY 28 -13.459 2.522 -2.852
194 H HIS 29 H HIS 29 -11.432 -0.252 -2.053
195 HA HIS 29 HA HIS 29 -12.268 -1.583 -4.519
196 1HB HIS 29 2HB HIS 29 -9.355 -1.134 -3.868
197 2HB HIS 29 1HB HIS 29 -10.029 -1.820 -5.341
198 HD1 HIS 29 1HD HIS 29 -11.730 0.027 -6.611
199 HD2 HIS 29 2HD HIS 29 -8.676 1.459 -4.186
200 HE1 HIS 29 1HE HIS 29 -11.370 2.412 -7.322
201 HE2 HIS 29 2HE HIS 29 -9.459 3.232 -5.899
202 H ASN 30 H ASN 30 -9.946 -3.432 -4.284
203 HA ASN 30 HA ASN 30 -10.938 -4.981 -1.991
204 1HB ASN 30 2HB ASN 30 -10.579 -5.671 -4.725
205 2HB ASN 30 1HB ASN 30 -9.412 -6.601 -3.789
206 1HD2 ASN 30 1HD2 ASN 30 -10.549 -7.323 -1.581
207 2HD2 ASN 30 2HD2 ASN 30 -12.021 -8.192 -1.835
208 H GLY 31 H GLY 31 -7.969 -4.299 -3.843
209 1HA GLY 31 2HA GLY 31 -6.415 -3.986 -1.479
210 2HA GLY 31 1HA GLY 31 -6.128 -5.558 -2.211
211 H GLY 32 H GLY 32 -3.933 -4.871 -2.526
212 1HA GLY 32 2HA GLY 32 -3.551 -3.702 -5.127
213 2HA GLY 32 1HA GLY 32 -2.968 -2.681 -3.823
214 H THR 33 H THR 33 -0.911 -3.021 -5.028
215 HA THR 33 HA THR 33 0.476 -5.345 -3.902
216 HB THR 33 HB THR 33 -0.012 -5.982 -6.183
217 HG1 THR 33 1HG THR 33 2.068 -6.501 -5.417
218 1HG2 THR 33 1HG2 THR 33 1.180 -3.331 -6.923
219 2HG2 THR 33 2HG2 THR 33 -0.410 -3.974 -7.337
220 3HG2 THR 33 3HG2 THR 33 1.039 -4.671 -8.061
221 H CYS 34 H CYS 34 2.933 -5.075 -4.300
222 HA CYS 34 HA CYS 34 3.632 -2.276 -3.700
223 1HB CYS 34 2HB CYS 34 3.929 -4.181 -1.942
224 2HB CYS 34 1HB CYS 34 5.338 -4.608 -2.904
225 H MET 35 H MET 35 4.948 -1.260 -5.073
226 HA MET 35 HA MET 35 6.738 -2.858 -6.765
227 1HB MET 35 2HB MET 35 4.561 -1.041 -7.612
228 2HB MET 35 1HB MET 35 6.076 -0.898 -8.494
229 1HG MET 35 2HG MET 35 5.185 -2.505 -9.773
230 2HG MET 35 1HG MET 35 5.778 -3.572 -8.501
231 1HE MET 35 1HE MET 35 3.949 -5.219 -7.075
232 2HE MET 35 2HE MET 35 4.499 -5.424 -8.737
233 3HE MET 35 3HE MET 35 2.792 -5.628 -8.341
234 H PHE 36 H PHE 36 8.652 -2.246 -5.909
235 HA PHE 36 HA PHE 36 10.385 -0.938 -5.210
236 1HB PHE 36 2HB PHE 36 10.566 -0.675 -7.604
237 2HB PHE 36 1HB PHE 36 9.381 0.619 -7.588
238 HD1 PHE 36 1HD PHE 36 12.695 -0.284 -6.214
239 HD2 PHE 36 2HD PHE 36 10.095 2.821 -7.494
240 HE1 PHE 36 1HE PHE 36 14.522 1.345 -5.942
241 HE2 PHE 36 2HE PHE 36 11.911 4.461 -7.228
242 HZ PHE 36 HZ PHE 36 14.130 3.724 -6.451
243 H PHE 37 H PHE 37 8.835 -0.466 -3.299
244 HA PHE 37 HA PHE 37 8.206 0.986 -1.678
245 1HB PHE 37 2HB PHE 37 9.658 3.140 -3.210
246 2HB PHE 37 1HB PHE 37 9.380 3.042 -1.474
247 HD1 PHE 37 1HD PHE 37 10.115 0.114 -1.147
248 HD2 PHE 37 2HD PHE 37 12.012 3.321 -3.203
249 HE1 PHE 37 1HE PHE 37 12.291 -0.998 -0.863
250 HE2 PHE 37 2HE PHE 37 14.193 2.213 -2.924
251 HZ PHE 37 HZ PHE 37 14.331 0.047 -1.754
252 H LYS 38 H LYS 38 6.693 0.786 -4.336
253 HA LYS 38 HA LYS 38 5.125 3.263 -4.019
254 1HB LYS 38 2HB LYS 38 5.204 1.472 -6.452
255 2HB LYS 38 1HB LYS 38 4.381 3.017 -6.307
256 1HG LYS 38 2HG LYS 38 6.408 4.213 -6.266
257 2HG LYS 38 1HG LYS 38 7.353 2.748 -6.002
258 1HD LYS 38 2HD LYS 38 7.701 3.105 -8.250
259 2HD LYS 38 1HD LYS 38 6.311 2.019 -8.287
260 1HE LYS 38 2HE LYS 38 5.666 4.883 -8.109
261 2HE LYS 38 1HE LYS 38 6.447 4.382 -9.608
262 1HZ LYS 38 1HZ LYS 38 4.617 2.472 -9.345
263 2HZ LYS 38 2HZ LYS 38 4.341 3.910 -10.191
264 3HZ LYS 38 3HZ LYS 38 3.800 3.752 -8.598
265 H CYS 39 H CYS 39 2.958 3.124 -3.665
266 HA CYS 39 HA CYS 39 1.932 0.438 -3.078
267 1HB CYS 39 2HB CYS 39 1.893 1.983 -1.195
268 2HB CYS 39 1HB CYS 39 0.986 3.155 -2.144
269 H LYS 40 H LYS 40 1.071 -0.316 -4.942
270 HA LYS 40 HA LYS 40 -0.807 1.409 -6.401
271 1HB LYS 40 2HB LYS 40 1.178 0.137 -7.517
272 2HB LYS 40 1HB LYS 40 0.130 -1.268 -7.382
273 1HG LYS 40 2HG LYS 40 -1.429 -0.410 -8.867
274 2HG LYS 40 1HG LYS 40 -0.862 1.248 -8.656
275 1HD LYS 40 2HD LYS 40 1.123 -0.657 -9.715
276 2HD LYS 40 1HD LYS 40 -0.241 -0.305 -10.778
277 1HE LYS 40 2HE LYS 40 0.235 2.146 -10.343
278 2HE LYS 40 1HE LYS 40 1.748 1.623 -9.603
279 1HZ LYS 40 1HZ LYS 40 0.977 0.865 -12.361
280 2HZ LYS 40 2HZ LYS 40 2.501 0.748 -11.638
281 3HZ LYS 40 3HZ LYS 40 1.859 2.268 -12.015
282 H CYS 41 H CYS 41 -2.753 0.241 -7.322
283 HA CYS 41 HA CYS 41 -3.931 -1.388 -5.201
284 1HB CYS 41 2HB CYS 41 -4.990 0.498 -7.246
285 2HB CYS 41 1HB CYS 41 -6.034 -0.793 -6.697
286 H ALA 42 H ALA 42 -5.934 -2.656 -6.429
287 HA ALA 42 HA ALA 42 -5.110 -4.014 -8.820
288 1HB ALA 42 1HB ALA 42 -3.735 -5.408 -7.653
289 2HB ALA 42 2HB ALA 42 -5.253 -6.283 -7.459
290 3HB ALA 42 3HB ALA 42 -4.657 -5.250 -6.158
Start of MODEL 6
1 1H ASP 1 1HT ASP 1 -12.058 14.954 -0.871
2 2H ASP 1 2HT ASP 1 -10.641 13.988 -0.933
3 3H ASP 1 3HT ASP 1 -11.481 14.377 -2.378
4 HA ASP 1 HA ASP 1 -10.918 16.624 -2.208
5 1HB ASP 1 2HB ASP 1 -10.019 15.765 0.526
6 2HB ASP 1 1HB ASP 1 -9.317 17.195 -0.224
7 H ARG 2 H ARG 2 -8.668 14.234 -0.805
8 HA ARG 2 HA ARG 2 -7.143 13.883 -3.118
9 1HB ARG 2 2HB ARG 2 -6.479 16.211 -2.822
10 2HB ARG 2 1HB ARG 2 -5.974 15.877 -1.172
11 1HG ARG 2 2HG ARG 2 -3.938 15.527 -1.973
12 2HG ARG 2 1HG ARG 2 -4.562 14.045 -2.702
13 1HD ARG 2 2HD ARG 2 -5.346 15.782 -4.566
14 2HD ARG 2 1HD ARG 2 -3.961 16.672 -3.937
15 HE ARG 2 HE ARG 2 -3.401 13.916 -4.546
16 1HH1 ARG 2 1HH1 ARG 2 -3.544 17.165 -5.816
17 2HH1 ARG 2 2HH1 ARG 2 -2.431 16.843 -7.103
18 1HH2 ARG 2 1HH2 ARG 2 -1.939 13.492 -6.239
19 2HH2 ARG 2 2HH2 ARG 2 -1.521 14.759 -7.344
20 H ASP 3 H ASP 3 -6.733 11.823 -2.689
21 HA ASP 3 HA ASP 3 -5.451 11.166 -0.120
22 1HB ASP 3 2HB ASP 3 -7.834 10.092 -1.285
23 2HB ASP 3 1HB ASP 3 -6.615 8.823 -1.230
24 H SER 4 H SER 4 -5.959 9.233 -3.051
25 HA SER 4 HA SER 4 -4.510 8.003 -4.310
26 1HB SER 4 2HB SER 4 -2.992 10.590 -3.973
27 2HB SER 4 1HB SER 4 -2.421 9.286 -5.015
28 HG SER 4 HG SER 4 -4.612 9.452 -5.991
29 H CYS 5 H CYS 5 -4.064 6.306 -2.915
30 HA CYS 5 HA CYS 5 -2.252 6.370 -0.780
31 1HB CYS 5 2HB CYS 5 -3.196 4.086 -2.516
32 2HB CYS 5 1HB CYS 5 -2.184 3.862 -1.093
33 H VAL 6 H VAL 6 -1.762 6.008 -4.211
34 HA VAL 6 HA VAL 6 0.710 4.819 -4.372
35 HB VAL 6 HB VAL 6 -0.081 7.192 -6.025
36 1HG1 VAL 6 1HG1 VAL 6 1.554 6.625 -7.463
37 2HG1 VAL 6 2HG1 VAL 6 1.309 4.896 -7.218
38 3HG1 VAL 6 3HG1 VAL 6 2.247 5.828 -6.051
39 1HG2 VAL 6 1HG2 VAL 6 -1.200 4.471 -5.915
40 2HG2 VAL 6 2HG2 VAL 6 -0.838 5.090 -7.527
41 3HG2 VAL 6 3HG2 VAL 6 -1.932 5.978 -6.465
42 H ASP 7 H ASP 7 -0.056 8.127 -3.467
43 HA ASP 7 HA ASP 7 2.770 8.503 -2.733
44 1HB ASP 7 2HB ASP 7 1.436 9.921 -4.716
45 2HB ASP 7 1HB ASP 7 1.374 10.995 -3.322
46 H LYS 8 H LYS 8 0.727 7.512 -1.047
47 HA LYS 8 HA LYS 8 0.508 9.735 0.874
48 1HB LYS 8 2HB LYS 8 -1.677 8.979 -0.221
49 2HB LYS 8 1HB LYS 8 -1.489 7.486 0.686
50 1HG LYS 8 2HG LYS 8 -1.210 9.200 2.696
51 2HG LYS 8 1HG LYS 8 -2.187 10.204 1.623
52 1HD LYS 8 2HD LYS 8 -3.756 9.073 2.941
53 2HD LYS 8 1HD LYS 8 -3.726 8.163 1.429
54 1HE LYS 8 2HE LYS 8 -3.696 6.567 3.180
55 2HE LYS 8 1HE LYS 8 -2.062 6.621 2.520
56 1HZ LYS 8 1HZ LYS 8 -1.230 7.508 4.406
57 2HZ LYS 8 2HZ LYS 8 -2.567 6.746 5.108
58 3HZ LYS 8 3HZ LYS 8 -2.626 8.399 4.757
59 H SER 9 H SER 9 0.476 6.188 0.563
60 HA SER 9 HA SER 9 1.717 6.016 3.225
61 1HB SER 9 2HB SER 9 -0.510 4.798 2.639
62 2HB SER 9 1HB SER 9 0.532 3.661 1.783
63 HG SER 9 HG SER 9 1.729 3.577 3.862
64 H ARG 10 H ARG 10 3.482 4.577 3.545
65 HA ARG 10 HA ARG 10 5.218 4.405 1.227
66 1HB ARG 10 2HB ARG 10 6.063 5.280 3.380
67 2HB ARG 10 1HB ARG 10 5.752 3.714 4.120
68 1HG ARG 10 2HG ARG 10 7.570 2.764 3.200
69 2HG ARG 10 1HG ARG 10 7.442 3.693 1.707
70 1HD ARG 10 2HD ARG 10 9.441 4.191 3.191
71 2HD ARG 10 1HD ARG 10 8.483 5.572 2.658
72 HE ARG 10 HE ARG 10 7.549 4.652 5.159
73 1HH1 ARG 10 1HH1 ARG 10 10.226 6.364 3.714
74 2HH1 ARG 10 2HH1 ARG 10 10.586 7.265 5.149
75 1HH2 ARG 10 1HH2 ARG 10 8.023 5.836 7.046
76 2HH2 ARG 10 2HH2 ARG 10 9.336 6.965 7.041
77 H CYS 11 H CYS 11 6.377 2.450 0.695
78 HA CYS 11 HA CYS 11 5.098 -0.032 1.585
79 1HB CYS 11 2HB CYS 11 4.286 0.955 -0.726
80 2HB CYS 11 1HB CYS 11 5.790 0.256 -1.307
81 H ALA 12 H ALA 12 6.374 -1.977 0.705
82 HA ALA 12 HA ALA 12 9.174 -1.512 1.336
83 1HB ALA 12 1HB ALA 12 8.834 -3.434 2.413
84 2HB ALA 12 2HB ALA 12 8.848 -4.224 0.837
85 3HB ALA 12 3HB ALA 12 7.318 -3.725 1.560
86 H LYS 13 H LYS 13 10.633 -3.236 0.008
87 HA LYS 13 HA LYS 13 11.151 -2.151 -2.448
88 1HB LYS 13 2HB LYS 13 12.487 -3.884 -1.064
89 2HB LYS 13 1HB LYS 13 11.595 -5.082 -1.987
90 1HG LYS 13 2HG LYS 13 12.538 -4.356 -4.027
91 2HG LYS 13 1HG LYS 13 13.189 -2.894 -3.285
92 1HD LYS 13 2HD LYS 13 14.772 -4.168 -2.014
93 2HD LYS 13 1HD LYS 13 14.030 -5.687 -2.521
94 1HE LYS 13 2HE LYS 13 14.985 -5.621 -4.588
95 2HE LYS 13 1HE LYS 13 14.979 -3.859 -4.653
96 1HZ LYS 13 1HZ LYS 13 16.749 -5.196 -2.733
97 2HZ LYS 13 2HZ LYS 13 16.950 -3.719 -3.530
98 3HZ LYS 13 3HZ LYS 13 17.196 -5.170 -4.365
99 H TYR 14 H TYR 14 9.024 -4.900 -1.762
100 HA TYR 14 HA TYR 14 7.176 -4.408 -3.726
101 1HB TYR 14 2HB TYR 14 7.918 -6.362 -5.324
102 2HB TYR 14 1HB TYR 14 8.531 -4.731 -5.563
103 HD1 TYR 14 1HD TYR 14 9.592 -7.284 -3.064
104 HD2 TYR 14 2HD TYR 14 10.629 -5.049 -6.531
105 HE1 TYR 14 1HE TYR 14 11.892 -8.138 -2.919
106 HE2 TYR 14 2HE TYR 14 12.933 -5.896 -6.395
107 HH TYR 14 HH TYR 14 14.110 -7.589 -3.649
108 H GLY 15 H GLY 15 5.774 -6.321 -4.222
109 1HA GLY 15 2HA GLY 15 5.183 -8.608 -3.691
110 2HA GLY 15 1HA GLY 15 6.075 -8.437 -2.189
111 H TYR 16 H TYR 16 4.624 -8.727 -0.631
112 HA TYR 16 HA TYR 16 2.024 -7.378 -0.836
113 1HB TYR 16 2HB TYR 16 2.213 -9.894 -0.417
114 2HB TYR 16 1HB TYR 16 2.793 -9.473 1.191
115 HD1 TYR 16 1HD TYR 16 1.215 -7.691 2.438
116 HD2 TYR 16 2HD TYR 16 -0.029 -10.357 -0.636
117 HE1 TYR 16 1HE TYR 16 -1.105 -7.516 3.233
118 HE2 TYR 16 2HE TYR 16 -2.352 -10.189 0.151
119 HH TYR 16 HH TYR 16 -3.361 -9.479 2.771
120 H TYR 17 H TYR 17 1.343 -5.911 0.647
121 HA TYR 17 HA TYR 17 2.930 -5.420 3.040
122 1HB TYR 17 2HB TYR 17 3.671 -3.977 0.953
123 2HB TYR 17 1HB TYR 17 2.253 -3.027 1.378
124 HD1 TYR 17 1HD TYR 17 3.114 -1.039 2.240
125 HD2 TYR 17 2HD TYR 17 4.689 -4.745 3.614
126 HE1 TYR 17 1HE TYR 17 4.425 0.157 3.944
127 HE2 TYR 17 2HE TYR 17 6.001 -3.561 5.321
128 HH TYR 17 HH TYR 17 6.372 -0.151 5.320
129 H GLN 18 H GLN 18 1.444 -5.574 4.575
130 HA GLN 18 HA GLN 18 -1.273 -5.430 4.379
131 1HB GLN 18 2HB GLN 18 0.356 -5.978 6.392
132 2HB GLN 18 1HB GLN 18 -0.031 -4.326 6.856
133 1HG GLN 18 2HG GLN 18 -1.952 -4.984 7.721
134 2HG GLN 18 1HG GLN 18 -2.444 -5.676 6.176
135 1HE2 GLN 18 1HE2 GLN 18 -0.425 -6.369 9.002
136 2HE2 GLN 18 2HE2 GLN 18 -0.745 -8.067 9.033
137 H GLU 19 H GLU 19 0.958 -2.743 4.683
138 HA GLU 19 HA GLU 19 -0.911 -0.751 5.363
139 1HB GLU 19 2HB GLU 19 1.852 -0.826 4.318
140 2HB GLU 19 1HB GLU 19 0.953 0.645 3.973
141 1HG GLU 19 2HG GLU 19 0.688 1.153 6.238
142 2HG GLU 19 1HG GLU 19 1.112 -0.482 6.744
143 H CYS 20 H CYS 20 0.610 -1.284 2.177
144 HA CYS 20 HA CYS 20 -1.023 0.387 0.701
145 1HB CYS 20 2HB CYS 20 1.087 -0.927 -0.007
146 2HB CYS 20 1HB CYS 20 -0.029 -2.227 -0.408
147 H GLN 21 H GLN 21 -1.439 -3.080 1.315
148 HA GLN 21 HA GLN 21 -3.744 -3.532 -0.146
149 1HB GLN 21 2HB GLN 21 -2.302 -4.850 1.998
150 2HB GLN 21 1HB GLN 21 -4.035 -5.077 2.173
151 1HG GLN 21 2HG GLN 21 -2.326 -5.808 -0.187
152 2HG GLN 21 1HG GLN 21 -3.157 -6.898 0.919
153 1HE2 GLN 21 1HE2 GLN 21 -5.603 -5.494 1.061
154 2HE2 GLN 21 2HE2 GLN 21 -6.395 -5.649 -0.466
155 H ASP 22 H ASP 22 -3.549 -2.672 3.316
156 HA ASP 22 HA ASP 22 -6.305 -2.465 3.745
157 1HB ASP 22 2HB ASP 22 -3.944 -1.197 5.124
158 2HB ASP 22 1HB ASP 22 -5.597 -0.928 5.667
159 H CYS 23 H CYS 23 -4.025 -0.236 2.344
160 HA CYS 23 HA CYS 23 -5.517 2.131 2.568
161 1HB CYS 23 2HB CYS 23 -3.043 1.568 1.717
162 2HB CYS 23 1HB CYS 23 -3.850 1.721 0.168
163 H CYS 24 H CYS 24 -5.141 -0.025 -0.233
164 HA CYS 24 HA CYS 24 -7.033 1.210 -1.865
165 1HB CYS 24 2HB CYS 24 -5.226 -0.631 -2.337
166 2HB CYS 24 1HB CYS 24 -6.547 -1.737 -1.995
167 H LYS 25 H LYS 25 -7.413 -1.892 -0.158
168 HA LYS 25 HA LYS 25 -10.021 -2.440 -0.563
169 1HB LYS 25 2HB LYS 25 -8.722 -3.988 0.636
170 2HB LYS 25 1HB LYS 25 -8.280 -2.808 1.856
171 1HG LYS 25 2HG LYS 25 -10.882 -2.851 2.327
172 2HG LYS 25 1HG LYS 25 -10.731 -4.451 1.599
173 1HD LYS 25 2HD LYS 25 -9.903 -5.248 3.496
174 2HD LYS 25 1HD LYS 25 -8.577 -4.092 3.421
175 1HE LYS 25 2HE LYS 25 -11.181 -3.050 4.341
176 2HE LYS 25 1HE LYS 25 -10.359 -4.169 5.427
177 1HZ LYS 25 1HZ LYS 25 -8.921 -1.872 4.252
178 2HZ LYS 25 2HZ LYS 25 -8.556 -2.749 5.651
179 3HZ LYS 25 3HZ LYS 25 -9.867 -1.682 5.643
180 H ASN 26 H ASN 26 -8.848 -0.441 2.161
181 HA ASN 26 HA ASN 26 -11.440 0.254 3.064
182 1HB ASN 26 2HB ASN 26 -8.886 0.559 4.035
183 2HB ASN 26 1HB ASN 26 -9.342 2.214 3.652
184 1HD2 ASN 26 1HD2 ASN 26 -8.998 0.563 6.193
185 2HD2 ASN 26 2HD2 ASN 26 -10.421 0.922 7.104
186 H ALA 27 H ALA 27 -9.369 1.537 0.596
187 HA ALA 27 HA ALA 27 -10.494 4.119 0.384
188 1HB ALA 27 1HB ALA 27 -8.328 3.396 -0.629
189 2HB ALA 27 2HB ALA 27 -9.390 4.269 -1.735
190 3HB ALA 27 3HB ALA 27 -9.252 2.514 -1.845
191 H GLY 28 H GLY 28 -11.448 0.989 -0.824
192 1HA GLY 28 2HA GLY 28 -14.008 1.053 -1.110
193 2HA GLY 28 1HA GLY 28 -13.622 2.224 -2.356
194 H HIS 29 H HIS 29 -11.110 0.166 -2.485
195 HA HIS 29 HA HIS 29 -12.397 -1.405 -4.603
196 1HB HIS 29 2HB HIS 29 -9.435 -1.059 -4.156
197 2HB HIS 29 1HB HIS 29 -10.244 -1.627 -5.610
198 HD1 HIS 29 1HD HIS 29 -11.944 0.336 -6.658
199 HD2 HIS 29 2HD HIS 29 -8.723 1.539 -4.325
200 HE1 HIS 29 1HE HIS 29 -11.566 2.756 -7.230
201 HE2 HIS 29 2HE HIS 29 -9.564 3.441 -5.862
202 H ASN 30 H ASN 30 -10.004 -3.251 -4.552
203 HA ASN 30 HA ASN 30 -10.959 -4.949 -2.355
204 1HB ASN 30 2HB ASN 30 -9.560 -5.716 -4.926
205 2HB ASN 30 1HB ASN 30 -10.082 -6.843 -3.677
206 1HD2 ASN 30 1HD2 ASN 30 -11.406 -7.922 -5.147
207 2HD2 ASN 30 2HD2 ASN 30 -12.909 -7.255 -5.678
208 H GLY 31 H GLY 31 -7.966 -4.149 -4.136
209 1HA GLY 31 2HA GLY 31 -6.452 -3.795 -1.780
210 2HA GLY 31 1HA GLY 31 -6.177 -5.406 -2.426
211 H GLY 32 H GLY 32 -3.953 -4.614 -2.632
212 1HA GLY 32 2HA GLY 32 -3.515 -3.635 -5.321
213 2HA GLY 32 1HA GLY 32 -2.947 -2.560 -4.053
214 H THR 33 H THR 33 -0.943 -3.113 -5.431
215 HA THR 33 HA THR 33 0.434 -5.341 -4.094
216 HB THR 33 HB THR 33 -0.062 -6.069 -6.355
217 HG1 THR 33 1HG THR 33 1.885 -6.824 -5.843
218 1HG2 THR 33 1HG2 THR 33 -0.369 -4.328 -7.779
219 2HG2 THR 33 2HG2 THR 33 1.293 -4.752 -8.186
220 3HG2 THR 33 3HG2 THR 33 0.968 -3.395 -7.108
221 H CYS 34 H CYS 34 2.776 -5.116 -4.025
222 HA CYS 34 HA CYS 34 3.545 -2.301 -3.736
223 1HB CYS 34 2HB CYS 34 3.750 -4.064 -1.848
224 2HB CYS 34 1HB CYS 34 5.151 -4.635 -2.741
225 H MET 35 H MET 35 4.856 -1.390 -5.172
226 HA MET 35 HA MET 35 6.680 -3.106 -6.714
227 1HB MET 35 2HB MET 35 4.668 -1.132 -7.693
228 2HB MET 35 1HB MET 35 6.179 -1.297 -8.576
229 1HG MET 35 2HG MET 35 4.657 -3.757 -7.904
230 2HG MET 35 1HG MET 35 4.057 -2.717 -9.194
231 1HE MET 35 1HE MET 35 4.508 -3.646 -11.525
232 2HE MET 35 2HE MET 35 4.302 -5.085 -10.527
233 3HE MET 35 3HE MET 35 5.598 -5.018 -11.721
234 H PHE 36 H PHE 36 8.603 -2.528 -5.865
235 HA PHE 36 HA PHE 36 10.344 -1.251 -5.127
236 1HB PHE 36 2HB PHE 36 10.590 -1.069 -7.534
237 2HB PHE 36 1HB PHE 36 9.478 0.289 -7.570
238 HD1 PHE 36 1HD PHE 36 12.765 -0.805 -6.313
239 HD2 PHE 36 2HD PHE 36 10.252 2.484 -7.273
240 HE1 PHE 36 1HE PHE 36 14.672 0.726 -6.020
241 HE2 PHE 36 2HE PHE 36 12.150 4.026 -6.984
242 HZ PHE 36 HZ PHE 36 14.363 3.147 -6.358
243 H PHE 37 H PHE 37 8.984 -0.656 -3.220
244 HA PHE 37 HA PHE 37 8.256 0.849 -1.684
245 1HB PHE 37 2HB PHE 37 9.841 2.888 -3.242
246 2HB PHE 37 1HB PHE 37 9.482 2.889 -1.519
247 HD1 PHE 37 1HD PHE 37 10.067 -0.108 -1.130
248 HD2 PHE 37 2HD PHE 37 12.214 3.043 -3.020
249 HE1 PHE 37 1HE PHE 37 12.178 -1.288 -0.686
250 HE2 PHE 37 2HE PHE 37 14.331 1.865 -2.581
251 HZ PHE 37 HZ PHE 37 14.313 -0.305 -1.415
252 H LYS 38 H LYS 38 6.778 0.601 -4.333
253 HA LYS 38 HA LYS 38 5.317 3.155 -4.179
254 1HB LYS 38 2HB LYS 38 6.490 2.246 -6.392
255 2HB LYS 38 1HB LYS 38 4.981 1.352 -6.525
256 1HG LYS 38 2HG LYS 38 3.737 3.463 -6.396
257 2HG LYS 38 1HG LYS 38 5.264 4.342 -6.309
258 1HD LYS 38 2HD LYS 38 5.891 3.391 -8.505
259 2HD LYS 38 1HD LYS 38 4.308 2.616 -8.592
260 1HE LYS 38 2HE LYS 38 3.297 4.515 -9.212
261 2HE LYS 38 1HE LYS 38 4.159 5.468 -8.005
262 1HZ LYS 38 1HZ LYS 38 5.937 5.816 -9.441
263 2HZ LYS 38 2HZ LYS 38 4.588 5.975 -10.448
264 3HZ LYS 38 3HZ LYS 38 5.497 4.550 -10.473
265 H CYS 39 H CYS 39 3.128 3.124 -3.886
266 HA CYS 39 HA CYS 39 1.969 0.506 -3.219
267 1HB CYS 39 2HB CYS 39 2.013 2.084 -1.362
268 2HB CYS 39 1HB CYS 39 1.169 3.285 -2.331
269 H LYS 40 H LYS 40 1.056 -0.238 -5.065
270 HA LYS 40 HA LYS 40 -0.800 1.561 -6.480
271 1HB LYS 40 2HB LYS 40 1.255 0.212 -7.577
272 2HB LYS 40 1HB LYS 40 0.004 -1.013 -7.719
273 1HG LYS 40 2HG LYS 40 0.099 0.270 -9.744
274 2HG LYS 40 1HG LYS 40 -1.415 0.618 -8.907
275 1HD LYS 40 2HD LYS 40 -0.607 2.715 -8.137
276 2HD LYS 40 1HD LYS 40 1.042 2.338 -8.640
277 1HE LYS 40 2HE LYS 40 0.280 2.301 -10.989
278 2HE LYS 40 1HE LYS 40 -1.333 2.768 -10.450
279 1HZ LYS 40 1HZ LYS 40 -0.528 4.848 -9.710
280 2HZ LYS 40 2HZ LYS 40 0.112 4.624 -11.259
281 3HZ LYS 40 3HZ LYS 40 1.090 4.387 -9.899
282 H CYS 41 H CYS 41 -2.747 0.468 -7.410
283 HA CYS 41 HA CYS 41 -3.850 -1.380 -5.428
284 1HB CYS 41 2HB CYS 41 -4.972 0.736 -7.188
285 2HB CYS 41 1HB CYS 41 -6.002 -0.621 -6.797
286 H ALA 42 H ALA 42 -5.917 -2.491 -6.738
287 HA ALA 42 HA ALA 42 -4.566 -4.230 -8.672
288 1HB ALA 42 1HB ALA 42 -6.816 -5.553 -8.251
289 2HB ALA 42 2HB ALA 42 -6.830 -4.580 -6.781
290 3HB ALA 42 3HB ALA 42 -5.464 -5.642 -7.122
Start of MODEL 7
1 1H ASP 1 1HT ASP 1 -10.097 10.998 -5.749
2 2H ASP 1 2HT ASP 1 -10.625 12.375 -6.627
3 3H ASP 1 3HT ASP 1 -11.707 11.560 -5.572
4 HA ASP 1 HA ASP 1 -10.838 13.637 -4.685
5 1HB ASP 1 2HB ASP 1 -11.375 11.267 -3.477
6 2HB ASP 1 1HB ASP 1 -9.723 11.532 -2.928
7 H ARG 2 H ARG 2 -8.809 13.741 -2.845
8 HA ARG 2 HA ARG 2 -6.419 13.759 -4.566
9 1HB ARG 2 2HB ARG 2 -7.457 15.642 -2.510
10 2HB ARG 2 1HB ARG 2 -5.712 15.462 -2.636
11 1HG ARG 2 2HG ARG 2 -6.068 15.883 -5.151
12 2HG ARG 2 1HG ARG 2 -7.648 16.501 -4.664
13 1HD ARG 2 2HD ARG 2 -5.629 17.594 -2.955
14 2HD ARG 2 1HD ARG 2 -5.167 17.842 -4.638
15 HE ARG 2 HE ARG 2 -7.776 18.602 -4.555
16 1HH1 ARG 2 1HH1 ARG 2 -4.926 19.503 -2.754
17 2HH1 ARG 2 2HH1 ARG 2 -5.471 21.119 -2.459
18 1HH2 ARG 2 1HH2 ARG 2 -8.494 20.729 -4.168
19 2HH2 ARG 2 2HH2 ARG 2 -7.497 21.816 -3.261
20 H ASP 3 H ASP 3 -7.218 11.433 -3.147
21 HA ASP 3 HA ASP 3 -5.561 11.267 -0.777
22 1HB ASP 3 2HB ASP 3 -7.846 9.970 -1.551
23 2HB ASP 3 1HB ASP 3 -6.616 8.758 -1.895
24 H SER 4 H SER 4 -5.739 9.111 -3.610
25 HA SER 4 HA SER 4 -4.130 7.891 -4.670
26 1HB SER 4 2HB SER 4 -2.214 9.174 -5.484
27 2HB SER 4 1HB SER 4 -3.686 10.139 -5.594
28 HG SER 4 HG SER 4 -1.575 10.994 -4.561
29 H CYS 5 H CYS 5 -3.853 6.362 -2.981
30 HA CYS 5 HA CYS 5 -2.060 6.681 -0.835
31 1HB CYS 5 2HB CYS 5 -3.893 4.907 -1.156
32 2HB CYS 5 1HB CYS 5 -2.700 4.024 -2.102
33 H VAL 6 H VAL 6 -1.573 5.858 -4.171
34 HA VAL 6 HA VAL 6 0.818 4.489 -4.139
35 HB VAL 6 HB VAL 6 0.244 6.666 -6.114
36 1HG1 VAL 6 1HG1 VAL 6 1.410 4.038 -6.835
37 2HG1 VAL 6 2HG1 VAL 6 2.428 5.183 -5.962
38 3HG1 VAL 6 3HG1 VAL 6 1.719 5.638 -7.511
39 1HG2 VAL 6 1HG2 VAL 6 -0.683 4.235 -7.153
40 2HG2 VAL 6 2HG2 VAL 6 -1.642 5.642 -6.696
41 3HG2 VAL 6 3HG2 VAL 6 -1.354 4.354 -5.527
42 H ASP 7 H ASP 7 0.252 7.930 -3.714
43 HA ASP 7 HA ASP 7 3.118 8.263 -3.109
44 1HB ASP 7 2HB ASP 7 1.618 9.603 -5.049
45 2HB ASP 7 1HB ASP 7 1.756 10.753 -3.723
46 H LYS 8 H LYS 8 1.161 7.414 -1.231
47 HA LYS 8 HA LYS 8 1.246 9.698 0.617
48 1HB LYS 8 2HB LYS 8 -1.087 8.878 -0.487
49 2HB LYS 8 1HB LYS 8 -1.030 7.836 0.928
50 1HG LYS 8 2HG LYS 8 -0.793 9.803 2.365
51 2HG LYS 8 1HG LYS 8 -0.868 10.843 0.941
52 1HD LYS 8 2HD LYS 8 -3.042 10.820 1.909
53 2HD LYS 8 1HD LYS 8 -3.114 9.838 0.445
54 1HE LYS 8 2HE LYS 8 -3.943 8.177 1.666
55 2HE LYS 8 1HE LYS 8 -2.398 8.082 2.510
56 1HZ LYS 8 1HZ LYS 8 -3.175 9.442 4.224
57 2HZ LYS 8 2HZ LYS 8 -4.472 8.401 3.909
58 3HZ LYS 8 3HZ LYS 8 -4.503 9.991 3.332
59 H SER 9 H SER 9 0.561 6.199 0.470
60 HA SER 9 HA SER 9 1.712 5.859 3.124
61 1HB SER 9 2HB SER 9 -0.445 4.707 2.157
62 2HB SER 9 1HB SER 9 0.715 3.574 1.463
63 HG SER 9 HG SER 9 1.252 2.889 3.427
64 H ARG 10 H ARG 10 3.380 4.308 3.554
65 HA ARG 10 HA ARG 10 5.433 4.332 1.522
66 1HB ARG 10 2HB ARG 10 5.973 4.825 3.875
67 2HB ARG 10 1HB ARG 10 5.472 3.200 4.325
68 1HG ARG 10 2HG ARG 10 7.305 2.214 3.305
69 2HG ARG 10 1HG ARG 10 7.614 3.620 2.286
70 1HD ARG 10 2HD ARG 10 9.175 4.179 3.776
71 2HD ARG 10 1HD ARG 10 7.845 4.629 4.839
72 HE ARG 10 HE ARG 10 7.992 2.293 5.707
73 1HH1 ARG 10 1HH1 ARG 10 10.788 3.811 4.248
74 2HH1 ARG 10 2HH1 ARG 10 11.918 2.827 5.111
75 1HH2 ARG 10 1HH2 ARG 10 9.487 1.009 6.836
76 2HH2 ARG 10 2HH2 ARG 10 11.183 1.241 6.576
77 H CYS 11 H CYS 11 6.535 2.478 0.758
78 HA CYS 11 HA CYS 11 5.113 -0.074 1.063
79 1HB CYS 11 2HB CYS 11 5.324 1.539 -1.320
80 2HB CYS 11 1HB CYS 11 6.127 -0.004 -1.565
81 H ALA 12 H ALA 12 6.460 -1.928 0.259
82 HA ALA 12 HA ALA 12 9.185 -1.598 1.223
83 1HB ALA 12 1HB ALA 12 8.603 -3.558 2.142
84 2HB ALA 12 2HB ALA 12 8.926 -4.243 0.549
85 3HB ALA 12 3HB ALA 12 7.279 -3.801 1.002
86 H LYS 13 H LYS 13 10.749 -3.247 -0.077
87 HA LYS 13 HA LYS 13 11.452 -1.997 -2.430
88 1HB LYS 13 2HB LYS 13 12.680 -3.799 -0.963
89 2HB LYS 13 1HB LYS 13 11.986 -4.921 -2.121
90 1HG LYS 13 2HG LYS 13 13.166 -3.952 -3.918
91 2HG LYS 13 1HG LYS 13 13.621 -2.547 -2.955
92 1HD LYS 13 2HD LYS 13 15.173 -3.769 -1.697
93 2HD LYS 13 1HD LYS 13 14.483 -5.317 -2.186
94 1HE LYS 13 2HE LYS 13 15.226 -4.828 -4.516
95 2HE LYS 13 1HE LYS 13 16.050 -3.396 -3.901
96 1HZ LYS 13 1HZ LYS 13 16.671 -5.872 -2.528
97 2HZ LYS 13 2HZ LYS 13 17.696 -4.620 -3.023
98 3HZ LYS 13 3HZ LYS 13 17.197 -5.792 -4.135
99 H TYR 14 H TYR 14 9.391 -4.832 -1.981
100 HA TYR 14 HA TYR 14 7.670 -4.350 -4.062
101 1HB TYR 14 2HB TYR 14 8.594 -6.315 -5.596
102 2HB TYR 14 1HB TYR 14 9.084 -4.644 -5.835
103 HD1 TYR 14 1HD TYR 14 10.188 -7.291 -3.431
104 HD2 TYR 14 2HD TYR 14 11.285 -4.582 -6.521
105 HE1 TYR 14 1HE TYR 14 12.540 -7.957 -3.171
106 HE2 TYR 14 2HE TYR 14 13.640 -5.241 -6.271
107 HH TYR 14 HH TYR 14 14.833 -7.494 -5.342
108 H GLY 15 H GLY 15 6.154 -6.051 -4.425
109 1HA GLY 15 2HA GLY 15 5.615 -8.433 -4.043
110 2HA GLY 15 1HA GLY 15 6.426 -8.275 -2.493
111 H TYR 16 H TYR 16 4.710 -8.856 -1.230
112 HA TYR 16 HA TYR 16 2.206 -7.372 -1.483
113 1HB TYR 16 2HB TYR 16 2.412 -9.940 -1.160
114 2HB TYR 16 1HB TYR 16 2.730 -9.547 0.525
115 HD1 TYR 16 1HD TYR 16 0.964 -8.086 1.730
116 HD2 TYR 16 2HD TYR 16 0.221 -10.152 -1.915
117 HE1 TYR 16 1HE TYR 16 -1.455 -7.962 2.159
118 HE2 TYR 16 2HE TYR 16 -2.198 -10.034 -1.496
119 HH TYR 16 HH TYR 16 -3.790 -8.763 -0.232
120 H TYR 17 H TYR 17 1.237 -6.316 0.304
121 HA TYR 17 HA TYR 17 2.737 -5.882 2.722
122 1HB TYR 17 2HB TYR 17 3.717 -4.286 0.980
123 2HB TYR 17 1HB TYR 17 2.168 -3.453 1.023
124 HD1 TYR 17 1HD TYR 17 2.830 -1.373 1.911
125 HD2 TYR 17 2HD TYR 17 3.924 -4.959 3.927
126 HE1 TYR 17 1HE TYR 17 3.594 -0.050 3.840
127 HE2 TYR 17 2HE TYR 17 4.688 -3.646 5.859
128 HH TYR 17 HH TYR 17 5.408 -1.428 6.411
129 H GLN 18 H GLN 18 1.087 -6.345 4.044
130 HA GLN 18 HA GLN 18 -1.602 -6.067 3.654
131 1HB GLN 18 2HB GLN 18 -0.151 -7.020 5.666
132 2HB GLN 18 1HB GLN 18 -0.580 -5.474 6.385
133 1HG GLN 18 2HG GLN 18 -2.800 -5.995 6.531
134 2HG GLN 18 1HG GLN 18 -2.734 -7.125 5.178
135 1HE2 GLN 18 1HE2 GLN 18 -4.061 -7.905 7.360
136 2HE2 GLN 18 2HE2 GLN 18 -3.175 -9.104 8.233
137 H GLU 19 H GLU 19 0.673 -3.578 4.602
138 HA GLU 19 HA GLU 19 -1.091 -1.640 5.551
139 1HB GLU 19 2HB GLU 19 1.611 -1.774 5.121
140 2HB GLU 19 1HB GLU 19 1.114 -0.599 3.911
141 1HG GLU 19 2HG GLU 19 -0.220 0.339 6.048
142 2HG GLU 19 1HG GLU 19 1.170 -0.394 6.846
143 H CYS 20 H CYS 20 0.285 -1.833 2.261
144 HA CYS 20 HA CYS 20 -1.309 0.123 1.095
145 1HB CYS 20 2HB CYS 20 0.717 -1.387 0.196
146 2HB CYS 20 1HB CYS 20 -0.618 -2.248 -0.560
147 H GLN 21 H GLN 21 -1.925 -3.299 1.620
148 HA GLN 21 HA GLN 21 -4.202 -3.644 0.069
149 1HB GLN 21 2HB GLN 21 -2.913 -5.010 2.284
150 2HB GLN 21 1HB GLN 21 -4.663 -5.133 2.387
151 1HG GLN 21 2HG GLN 21 -3.622 -5.633 -0.288
152 2HG GLN 21 1HG GLN 21 -3.025 -6.761 0.927
153 1HE2 GLN 21 1HE2 GLN 21 -5.180 -6.957 2.599
154 2HE2 GLN 21 2HE2 GLN 21 -6.505 -7.685 1.763
155 H ASP 22 H ASP 22 -4.054 -2.794 3.531
156 HA ASP 22 HA ASP 22 -6.775 -2.379 3.927
157 1HB ASP 22 2HB ASP 22 -4.452 -0.971 5.261
158 2HB ASP 22 1HB ASP 22 -6.108 -0.987 5.859
159 H CYS 23 H CYS 23 -4.298 -0.236 2.661
160 HA CYS 23 HA CYS 23 -5.697 2.176 2.691
161 1HB CYS 23 2HB CYS 23 -3.220 1.504 1.997
162 2HB CYS 23 1HB CYS 23 -3.930 1.578 0.395
163 H CYS 24 H CYS 24 -5.239 0.015 -0.093
164 HA CYS 24 HA CYS 24 -6.970 1.268 -1.839
165 1HB CYS 24 2HB CYS 24 -5.292 -0.670 -2.202
166 2HB CYS 24 1HB CYS 24 -6.652 -1.713 -1.814
167 H LYS 25 H LYS 25 -7.725 -1.659 0.081
168 HA LYS 25 HA LYS 25 -10.384 -1.891 -0.583
169 1HB LYS 25 2HB LYS 25 -10.694 -3.163 1.448
170 2HB LYS 25 1HB LYS 25 -9.131 -3.550 0.746
171 1HG LYS 25 2HG LYS 25 -8.043 -2.888 2.562
172 2HG LYS 25 1HG LYS 25 -8.959 -1.386 2.667
173 1HD LYS 25 2HD LYS 25 -10.480 -2.256 4.112
174 2HD LYS 25 1HD LYS 25 -10.389 -3.869 3.402
175 1HE LYS 25 2HE LYS 25 -9.393 -4.214 5.448
176 2HE LYS 25 1HE LYS 25 -7.993 -3.878 4.430
177 1HZ LYS 25 1HZ LYS 25 -8.526 -1.434 5.216
178 2HZ LYS 25 2HZ LYS 25 -7.565 -2.474 6.141
179 3HZ LYS 25 3HZ LYS 25 -9.194 -2.250 6.538
180 H ASN 26 H ASN 26 -8.914 0.337 1.699
181 HA ASN 26 HA ASN 26 -11.416 1.198 2.818
182 1HB ASN 26 2HB ASN 26 -8.776 1.477 3.560
183 2HB ASN 26 1HB ASN 26 -9.189 3.095 3.011
184 1HD2 ASN 26 1HD2 ASN 26 -9.687 0.671 5.405
185 2HD2 ASN 26 2HD2 ASN 26 -10.643 1.624 6.482
186 H ALA 27 H ALA 27 -9.478 2.028 0.072
187 HA ALA 27 HA ALA 27 -10.641 4.608 -0.377
188 1HB ALA 27 1HB ALA 27 -8.407 3.415 -1.296
189 2HB ALA 27 2HB ALA 27 -9.170 4.799 -2.080
190 3HB ALA 27 3HB ALA 27 -9.479 3.167 -2.673
191 H GLY 28 H GLY 28 -11.433 1.331 -1.232
192 1HA GLY 28 2HA GLY 28 -13.924 1.151 -1.655
193 2HA GLY 28 1HA GLY 28 -13.619 2.310 -2.935
194 H HIS 29 H HIS 29 -11.475 -0.355 -2.104
195 HA HIS 29 HA HIS 29 -12.372 -1.830 -4.466
196 1HB HIS 29 2HB HIS 29 -9.441 -1.309 -4.010
197 2HB HIS 29 1HB HIS 29 -10.219 -1.967 -5.444
198 HD1 HIS 29 1HD HIS 29 -12.037 -0.081 -6.518
199 HD2 HIS 29 2HD HIS 29 -8.754 1.272 -4.358
200 HE1 HIS 29 1HE HIS 29 -11.717 2.316 -7.211
201 HE2 HIS 29 2HE HIS 29 -9.673 3.087 -5.956
202 H ASN 30 H ASN 30 -9.959 -3.557 -4.289
203 HA ASN 30 HA ASN 30 -10.810 -5.112 -1.951
204 1HB ASN 30 2HB ASN 30 -10.356 -5.820 -4.649
205 2HB ASN 30 1HB ASN 30 -9.076 -6.583 -3.711
206 1HD2 ASN 30 1HD2 ASN 30 -12.568 -5.992 -3.453
207 2HD2 ASN 30 2HD2 ASN 30 -12.969 -7.582 -2.914
208 H GLY 31 H GLY 31 -7.799 -4.468 -3.782
209 1HA GLY 31 2HA GLY 31 -6.358 -3.796 -1.413
210 2HA GLY 31 1HA GLY 31 -5.989 -5.431 -1.942
211 H GLY 32 H GLY 32 -3.806 -4.722 -2.267
212 1HA GLY 32 2HA GLY 32 -3.353 -3.865 -4.971
213 2HA GLY 32 1HA GLY 32 -2.884 -2.651 -3.792
214 H THR 33 H THR 33 -0.777 -3.078 -4.924
215 HA THR 33 HA THR 33 0.708 -5.066 -3.372
216 HB THR 33 HB THR 33 0.356 -6.241 -5.413
217 HG1 THR 33 1HG THR 33 2.488 -6.341 -6.234
218 1HG2 THR 33 1HG2 THR 33 0.995 -3.649 -6.753
219 2HG2 THR 33 2HG2 THR 33 -0.373 -4.734 -7.007
220 3HG2 THR 33 3HG2 THR 33 1.230 -5.186 -7.585
221 H CYS 34 H CYS 34 3.002 -4.639 -3.253
222 HA CYS 34 HA CYS 34 3.566 -1.791 -3.387
223 1HB CYS 34 2HB CYS 34 4.619 -4.126 -1.875
224 2HB CYS 34 1HB CYS 34 5.723 -2.803 -2.188
225 H MET 35 H MET 35 4.559 -1.018 -5.128
226 HA MET 35 HA MET 35 6.457 -2.755 -6.564
227 1HB MET 35 2HB MET 35 4.372 -0.857 -7.514
228 2HB MET 35 1HB MET 35 5.862 -0.951 -8.442
229 1HG MET 35 2HG MET 35 4.529 -3.496 -7.723
230 2HG MET 35 1HG MET 35 3.771 -2.487 -8.953
231 1HE MET 35 1HE MET 35 5.451 -2.238 -11.751
232 2HE MET 35 2HE MET 35 6.971 -1.728 -11.019
233 3HE MET 35 3HE MET 35 5.441 -1.122 -10.386
234 H PHE 36 H PHE 36 8.394 -2.146 -5.738
235 HA PHE 36 HA PHE 36 10.177 -0.854 -5.164
236 1HB PHE 36 2HB PHE 36 10.341 -0.660 -7.560
237 2HB PHE 36 1HB PHE 36 9.145 0.624 -7.579
238 HD1 PHE 36 1HD PHE 36 12.318 -0.075 -5.786
239 HD2 PHE 36 2HD PHE 36 10.003 2.709 -8.004
240 HE1 PHE 36 1HE PHE 36 14.134 1.577 -5.585
241 HE2 PHE 36 2HE PHE 36 11.808 4.372 -7.814
242 HZ PHE 36 HZ PHE 36 13.878 3.806 -6.603
243 H PHE 37 H PHE 37 8.565 -0.326 -3.283
244 HA PHE 37 HA PHE 37 7.968 1.171 -1.686
245 1HB PHE 37 2HB PHE 37 9.468 3.264 -3.254
246 2HB PHE 37 1HB PHE 37 9.158 3.226 -1.521
247 HD1 PHE 37 1HD PHE 37 9.849 0.329 -1.040
248 HD2 PHE 37 2HD PHE 37 11.817 3.385 -3.254
249 HE1 PHE 37 1HE PHE 37 12.002 -0.802 -0.677
250 HE2 PHE 37 2HE PHE 37 13.975 2.256 -2.898
251 HZ PHE 37 HZ PHE 37 14.068 0.158 -1.608
252 H LYS 38 H LYS 38 6.494 0.944 -4.374
253 HA LYS 38 HA LYS 38 4.978 3.463 -4.168
254 1HB LYS 38 2HB LYS 38 4.960 1.515 -6.478
255 2HB LYS 38 1HB LYS 38 4.228 3.112 -6.432
256 1HG LYS 38 2HG LYS 38 7.137 2.973 -5.928
257 2HG LYS 38 1HG LYS 38 6.589 2.622 -7.568
258 1HD LYS 38 2HD LYS 38 5.144 4.878 -6.813
259 2HD LYS 38 1HD LYS 38 6.767 5.157 -6.179
260 1HE LYS 38 2HE LYS 38 7.438 5.736 -8.213
261 2HE LYS 38 1HE LYS 38 7.070 4.108 -8.782
262 1HZ LYS 38 1HZ LYS 38 5.665 5.205 -10.123
263 2HZ LYS 38 2HZ LYS 38 5.581 6.570 -9.129
264 3HZ LYS 38 3HZ LYS 38 4.642 5.209 -8.775
265 H CYS 39 H CYS 39 2.833 3.411 -3.709
266 HA CYS 39 HA CYS 39 1.753 0.826 -2.883
267 1HB CYS 39 2HB CYS 39 1.699 3.315 -1.696
268 2HB CYS 39 1HB CYS 39 0.086 3.181 -2.387
269 H LYS 40 H LYS 40 1.175 -0.070 -4.879
270 HA LYS 40 HA LYS 40 -0.809 1.388 -6.467
271 1HB LYS 40 2HB LYS 40 1.304 -0.422 -7.100
272 2HB LYS 40 1HB LYS 40 -0.210 -1.152 -7.610
273 1HG LYS 40 2HG LYS 40 -0.376 0.209 -9.353
274 2HG LYS 40 1HG LYS 40 -0.090 1.635 -8.356
275 1HD LYS 40 2HD LYS 40 2.005 1.809 -9.092
276 2HD LYS 40 1HD LYS 40 2.344 0.126 -8.687
277 1HE LYS 40 2HE LYS 40 0.751 -0.031 -10.952
278 2HE LYS 40 1HE LYS 40 1.805 1.349 -11.263
279 1HZ LYS 40 1HZ LYS 40 3.715 -0.062 -10.770
280 2HZ LYS 40 2HZ LYS 40 2.806 -0.689 -12.051
281 3HZ LYS 40 3HZ LYS 40 2.691 -1.385 -10.514
282 H CYS 41 H CYS 41 -2.682 0.136 -7.295
283 HA CYS 41 HA CYS 41 -3.777 -1.538 -5.156
284 1HB CYS 41 2HB CYS 41 -4.926 0.388 -7.105
285 2HB CYS 41 1HB CYS 41 -5.928 -0.958 -6.615
286 H ALA 42 H ALA 42 -5.800 -2.808 -6.408
287 HA ALA 42 HA ALA 42 -4.600 -4.300 -8.635
288 1HB ALA 42 1HB ALA 42 -5.789 -6.329 -7.351
289 2HB ALA 42 2HB ALA 42 -5.330 -5.336 -5.967
290 3HB ALA 42 3HB ALA 42 -4.100 -5.888 -7.104
Start of MODEL 8
1 1H ASP 1 1HT ASP 1 -10.571 15.229 0.140
2 2H ASP 1 2HT ASP 1 -8.874 15.419 0.306
3 3H ASP 1 3HT ASP 1 -9.534 13.885 -0.089
4 HA ASP 1 HA ASP 1 -10.428 14.898 -2.131
5 1HB ASP 1 2HB ASP 1 -8.986 17.174 -0.888
6 2HB ASP 1 1HB ASP 1 -8.794 16.990 -2.629
7 H ARG 2 H ARG 2 -9.507 13.492 -3.467
8 HA ARG 2 HA ARG 2 -7.968 12.193 -4.521
9 1HB ARG 2 2HB ARG 2 -5.954 14.388 -4.211
10 2HB ARG 2 1HB ARG 2 -6.244 13.330 -5.583
11 1HG ARG 2 2HG ARG 2 -8.145 14.542 -6.255
12 2HG ARG 2 1HG ARG 2 -8.232 15.405 -4.720
13 1HD ARG 2 2HD ARG 2 -7.070 17.046 -5.671
14 2HD ARG 2 1HD ARG 2 -5.685 15.956 -5.711
15 HE ARG 2 HE ARG 2 -7.221 15.388 -7.947
16 1HH1 ARG 2 1HH1 ARG 2 -5.425 18.096 -6.675
17 2HH1 ARG 2 2HH1 ARG 2 -5.050 18.743 -8.236
18 1HH2 ARG 2 1HH2 ARG 2 -6.729 16.237 -10.004
19 2HH2 ARG 2 2HH2 ARG 2 -5.790 17.688 -10.127
20 H ASP 3 H ASP 3 -7.623 10.580 -3.024
21 HA ASP 3 HA ASP 3 -5.728 10.928 -0.877
22 1HB ASP 3 2HB ASP 3 -7.718 9.517 -0.569
23 2HB ASP 3 1HB ASP 3 -7.156 8.440 -1.844
24 H SER 4 H SER 4 -5.875 8.337 -3.316
25 HA SER 4 HA SER 4 -4.236 7.199 -4.413
26 1HB SER 4 2HB SER 4 -3.128 10.008 -4.465
27 2HB SER 4 1HB SER 4 -2.345 8.666 -5.300
28 HG SER 4 HG SER 4 -4.509 8.352 -6.296
29 H CYS 5 H CYS 5 -3.744 5.940 -2.533
30 HA CYS 5 HA CYS 5 -1.871 6.635 -0.579
31 1HB CYS 5 2HB CYS 5 -3.499 4.488 -1.010
32 2HB CYS 5 1HB CYS 5 -1.917 3.788 -1.330
33 H VAL 6 H VAL 6 -1.423 5.742 -3.871
34 HA VAL 6 HA VAL 6 1.061 4.547 -3.906
35 HB VAL 6 HB VAL 6 -0.500 5.123 -5.863
36 1HG1 VAL 6 1HG1 VAL 6 0.035 7.098 -7.152
37 2HG1 VAL 6 2HG1 VAL 6 1.205 7.602 -5.931
38 3HG1 VAL 6 3HG1 VAL 6 -0.514 7.551 -5.539
39 1HG2 VAL 6 1HG2 VAL 6 2.031 4.223 -5.762
40 2HG2 VAL 6 2HG2 VAL 6 2.254 5.666 -6.750
41 3HG2 VAL 6 3HG2 VAL 6 1.123 4.413 -7.261
42 H ASP 7 H ASP 7 0.299 7.994 -3.799
43 HA ASP 7 HA ASP 7 3.122 8.551 -3.171
44 1HB ASP 7 2HB ASP 7 1.827 9.644 -5.195
45 2HB ASP 7 1HB ASP 7 1.210 10.716 -3.942
46 H LYS 8 H LYS 8 1.100 7.611 -1.278
47 HA LYS 8 HA LYS 8 1.134 9.912 0.560
48 1HB LYS 8 2HB LYS 8 -1.153 8.909 -0.458
49 2HB LYS 8 1HB LYS 8 -0.969 7.860 0.941
50 1HG LYS 8 2HG LYS 8 -2.005 9.458 2.086
51 2HG LYS 8 1HG LYS 8 -0.489 10.356 1.983
52 1HD LYS 8 2HD LYS 8 -2.646 10.513 -0.114
53 2HD LYS 8 1HD LYS 8 -2.560 11.609 1.266
54 1HE LYS 8 2HE LYS 8 -0.626 12.618 0.512
55 2HE LYS 8 1HE LYS 8 -0.159 11.228 -0.466
56 1HZ LYS 8 1HZ LYS 8 -0.852 12.755 -2.029
57 2HZ LYS 8 2HZ LYS 8 -2.118 13.342 -1.073
58 3HZ LYS 8 3HZ LYS 8 -2.251 11.827 -1.813
59 H SER 9 H SER 9 0.465 6.410 0.700
60 HA SER 9 HA SER 9 1.961 6.240 3.192
61 1HB SER 9 2HB SER 9 -0.308 5.108 2.771
62 2HB SER 9 1HB SER 9 0.590 3.948 1.792
63 HG SER 9 HG SER 9 0.269 3.917 4.392
64 H ARG 10 H ARG 10 3.699 4.794 3.517
65 HA ARG 10 HA ARG 10 5.456 4.589 1.258
66 1HB ARG 10 2HB ARG 10 5.863 4.871 3.933
67 2HB ARG 10 1HB ARG 10 6.189 3.155 3.728
68 1HG ARG 10 2HG ARG 10 7.706 3.927 1.774
69 2HG ARG 10 1HG ARG 10 7.624 5.502 2.563
70 1HD ARG 10 2HD ARG 10 8.424 4.468 4.653
71 2HD ARG 10 1HD ARG 10 8.566 2.923 3.813
72 HE ARG 10 HE ARG 10 10.077 4.571 2.302
73 1HH1 ARG 10 1HH1 ARG 10 10.005 3.893 5.725
74 2HH1 ARG 10 2HH1 ARG 10 11.693 4.206 5.949
75 1HH2 ARG 10 1HH2 ARG 10 12.298 4.983 2.595
76 2HH2 ARG 10 2HH2 ARG 10 12.995 4.825 4.172
77 H CYS 11 H CYS 11 6.821 2.225 1.754
78 HA CYS 11 HA CYS 11 5.197 -0.069 1.890
79 1HB CYS 11 2HB CYS 11 4.593 1.129 -0.391
80 2HB CYS 11 1HB CYS 11 6.080 0.366 -0.934
81 H ALA 12 H ALA 12 6.442 -2.003 0.783
82 HA ALA 12 HA ALA 12 9.187 -1.795 1.717
83 1HB ALA 12 1HB ALA 12 8.797 -4.385 0.809
84 2HB ALA 12 2HB ALA 12 7.220 -3.910 1.441
85 3HB ALA 12 3HB ALA 12 8.649 -3.823 2.474
86 H LYS 13 H LYS 13 10.617 -3.502 0.247
87 HA LYS 13 HA LYS 13 11.330 -2.056 -2.019
88 1HB LYS 13 2HB LYS 13 12.497 -3.995 -0.596
89 2HB LYS 13 1HB LYS 13 11.934 -4.956 -1.951
90 1HG LYS 13 2HG LYS 13 13.432 -4.072 -3.374
91 2HG LYS 13 1HG LYS 13 13.302 -2.460 -2.669
92 1HD LYS 13 2HD LYS 13 14.811 -4.790 -1.486
93 2HD LYS 13 1HD LYS 13 15.525 -3.408 -2.317
94 1HE LYS 13 2HE LYS 13 14.254 -2.009 -0.540
95 2HE LYS 13 1HE LYS 13 14.194 -3.525 0.358
96 1HZ LYS 13 1HZ LYS 13 16.500 -3.599 0.528
97 2HZ LYS 13 2HZ LYS 13 16.140 -1.968 0.793
98 3HZ LYS 13 3HZ LYS 13 16.739 -2.467 -0.707
99 H TYR 14 H TYR 14 9.337 -4.977 -1.717
100 HA TYR 14 HA TYR 14 7.654 -4.400 -3.839
101 1HB TYR 14 2HB TYR 14 8.666 -6.376 -5.346
102 2HB TYR 14 1HB TYR 14 9.096 -4.687 -5.579
103 HD1 TYR 14 1HD TYR 14 10.263 -7.031 -2.929
104 HD2 TYR 14 2HD TYR 14 11.281 -4.782 -6.394
105 HE1 TYR 14 1HE TYR 14 12.632 -7.591 -2.589
106 HE2 TYR 14 2HE TYR 14 13.653 -5.339 -6.065
107 HH TYR 14 HH TYR 14 15.027 -6.979 -4.970
108 H GLY 15 H GLY 15 6.129 -6.071 -4.285
109 1HA GLY 15 2HA GLY 15 5.578 -8.471 -3.969
110 2HA GLY 15 1HA GLY 15 6.295 -8.322 -2.372
111 H TYR 16 H TYR 16 4.654 -8.645 -1.004
112 HA TYR 16 HA TYR 16 2.157 -7.155 -1.454
113 1HB TYR 16 2HB TYR 16 2.065 -9.681 -1.311
114 2HB TYR 16 1HB TYR 16 2.539 -9.526 0.377
115 HD1 TYR 16 1HD TYR 16 1.028 -8.016 1.859
116 HD2 TYR 16 2HD TYR 16 -0.187 -9.639 -1.882
117 HE1 TYR 16 1HE TYR 16 -1.328 -7.706 2.496
118 HE2 TYR 16 2HE TYR 16 -2.546 -9.334 -1.254
119 HH TYR 16 HH TYR 16 -3.805 -7.685 0.431
120 H TYR 17 H TYR 17 1.495 -5.670 -0.023
121 HA TYR 17 HA TYR 17 2.827 -5.532 2.590
122 1HB TYR 17 2HB TYR 17 3.655 -3.874 0.706
123 2HB TYR 17 1HB TYR 17 2.200 -2.989 1.146
124 HD1 TYR 17 1HD TYR 17 2.988 -1.087 2.241
125 HD2 TYR 17 2HD TYR 17 4.532 -4.898 3.335
126 HE1 TYR 17 1HE TYR 17 4.184 -0.055 4.125
127 HE2 TYR 17 2HE TYR 17 5.731 -3.877 5.223
128 HH TYR 17 HH TYR 17 5.138 -0.674 6.263
129 H GLN 18 H GLN 18 1.264 -5.852 4.021
130 HA GLN 18 HA GLN 18 -1.447 -5.696 3.669
131 1HB GLN 18 2HB GLN 18 0.104 -6.446 5.713
132 2HB GLN 18 1HB GLN 18 -0.421 -4.890 6.340
133 1HG GLN 18 2HG GLN 18 -2.634 -5.535 6.463
134 2HG GLN 18 1HG GLN 18 -2.430 -6.824 5.278
135 1HE2 GLN 18 1HE2 GLN 18 -1.792 -8.821 5.938
136 2HE2 GLN 18 2HE2 GLN 18 -1.591 -9.265 7.596
137 H GLU 19 H GLU 19 0.767 -3.079 4.280
138 HA GLU 19 HA GLU 19 -1.119 -1.154 5.134
139 1HB GLU 19 2HB GLU 19 1.594 -1.220 4.951
140 2HB GLU 19 1HB GLU 19 1.199 -0.179 3.590
141 1HG GLU 19 2HG GLU 19 0.351 1.479 4.923
142 2HG GLU 19 1HG GLU 19 -0.059 0.369 6.229
143 H CYS 20 H CYS 20 0.107 -2.077 1.953
144 HA CYS 20 HA CYS 20 -1.257 -0.013 0.539
145 1HB CYS 20 2HB CYS 20 0.737 -1.759 -0.100
146 2HB CYS 20 1HB CYS 20 -0.629 -2.484 -0.941
147 H GLN 21 H GLN 21 -1.879 -3.516 0.857
148 HA GLN 21 HA GLN 21 -4.268 -3.559 -0.579
149 1HB GLN 21 2HB GLN 21 -4.727 -5.683 0.513
150 2HB GLN 21 1HB GLN 21 -3.036 -5.583 0.047
151 1HG GLN 21 2HG GLN 21 -2.395 -5.956 2.107
152 2HG GLN 21 1HG GLN 21 -3.337 -4.595 2.701
153 1HE2 GLN 21 1HE2 GLN 21 -5.858 -5.264 2.439
154 2HE2 GLN 21 2HE2 GLN 21 -6.242 -6.717 3.289
155 H ASP 22 H ASP 22 -3.615 -2.670 2.735
156 HA ASP 22 HA ASP 22 -6.341 -2.679 3.590
157 1HB ASP 22 2HB ASP 22 -4.371 -2.864 5.130
158 2HB ASP 22 1HB ASP 22 -4.015 -1.171 4.801
159 H CYS 23 H CYS 23 -4.121 -0.252 2.322
160 HA CYS 23 HA CYS 23 -5.730 2.011 2.739
161 1HB CYS 23 2HB CYS 23 -3.218 1.636 1.878
162 2HB CYS 23 1HB CYS 23 -4.016 1.914 0.340
163 H CYS 24 H CYS 24 -5.199 0.161 -0.253
164 HA CYS 24 HA CYS 24 -7.091 1.421 -1.837
165 1HB CYS 24 2HB CYS 24 -5.320 -0.329 -2.475
166 2HB CYS 24 1HB CYS 24 -6.524 -1.530 -2.023
167 H LYS 25 H LYS 25 -7.500 -1.608 0.005
168 HA LYS 25 HA LYS 25 -10.143 -2.129 -0.519
169 1HB LYS 25 2HB LYS 25 -8.802 -3.692 0.703
170 2HB LYS 25 1HB LYS 25 -8.532 -2.539 1.999
171 1HG LYS 25 2HG LYS 25 -11.225 -2.712 2.060
172 2HG LYS 25 1HG LYS 25 -10.806 -4.330 1.497
173 1HD LYS 25 2HD LYS 25 -10.178 -4.920 3.544
174 2HD LYS 25 1HD LYS 25 -9.040 -3.577 3.619
175 1HE LYS 25 2HE LYS 25 -11.885 -2.892 3.997
176 2HE LYS 25 1HE LYS 25 -11.141 -3.848 5.279
177 1HZ LYS 25 1HZ LYS 25 -9.628 -1.549 4.325
178 2HZ LYS 25 2HZ LYS 25 -9.807 -2.151 5.896
179 3HZ LYS 25 3HZ LYS 25 -11.032 -1.209 5.208
180 H ASN 26 H ASN 26 -8.800 0.128 1.845
181 HA ASN 26 HA ASN 26 -11.330 0.801 2.994
182 1HB ASN 26 2HB ASN 26 -8.674 1.202 3.682
183 2HB ASN 26 1HB ASN 26 -9.249 2.820 3.300
184 1HD2 ASN 26 1HD2 ASN 26 -9.078 0.431 5.632
185 2HD2 ASN 26 2HD2 ASN 26 -10.214 1.083 6.758
186 H ALA 27 H ALA 27 -9.519 1.873 0.250
187 HA ALA 27 HA ALA 27 -10.771 4.429 -0.017
188 1HB ALA 27 1HB ALA 27 -8.825 4.472 -1.182
189 2HB ALA 27 2HB ALA 27 -9.887 3.970 -2.497
190 3HB ALA 27 3HB ALA 27 -8.926 2.771 -1.632
191 H GLY 28 H GLY 28 -11.499 1.184 -1.047
192 1HA GLY 28 2HA GLY 28 -14.028 0.986 -1.345
193 2HA GLY 28 1HA GLY 28 -13.776 2.180 -2.608
194 H HIS 29 H HIS 29 -11.582 -0.471 -1.896
195 HA HIS 29 HA HIS 29 -12.510 -1.905 -4.271
196 1HB HIS 29 2HB HIS 29 -9.601 -1.216 -3.820
197 2HB HIS 29 1HB HIS 29 -10.285 -2.061 -5.204
198 HD1 HIS 29 1HD HIS 29 -12.338 -0.407 -6.348
199 HD2 HIS 29 2HD HIS 29 -9.059 1.338 -4.488
200 HE1 HIS 29 1HE HIS 29 -12.206 1.929 -7.270
201 HE2 HIS 29 2HE HIS 29 -10.151 2.928 -6.209
202 H ASN 30 H ASN 30 -10.056 -3.608 -4.146
203 HA ASN 30 HA ASN 30 -10.849 -5.186 -1.799
204 1HB ASN 30 2HB ASN 30 -10.404 -5.870 -4.551
205 2HB ASN 30 1HB ASN 30 -9.261 -6.753 -3.546
206 1HD2 ASN 30 1HD2 ASN 30 -12.693 -5.929 -3.777
207 2HD2 ASN 30 2HD2 ASN 30 -13.275 -7.433 -3.156
208 H GLY 31 H GLY 31 -7.998 -4.196 -3.692
209 1HA GLY 31 2HA GLY 31 -6.414 -3.665 -1.440
210 2HA GLY 31 1HA GLY 31 -6.071 -5.306 -1.970
211 H GLY 32 H GLY 32 -3.942 -4.767 -2.510
212 1HA GLY 32 2HA GLY 32 -3.620 -3.832 -5.195
213 2HA GLY 32 1HA GLY 32 -3.026 -2.667 -4.023
214 H THR 33 H THR 33 -0.956 -3.045 -5.107
215 HA THR 33 HA THR 33 0.458 -5.270 -3.834
216 HB THR 33 HB THR 33 -0.008 -6.059 -6.076
217 HG1 THR 33 1HG THR 33 2.084 -6.470 -6.693
218 1HG2 THR 33 1HG2 THR 33 0.944 -3.369 -6.895
219 2HG2 THR 33 2HG2 THR 33 -0.398 -4.333 -7.510
220 3HG2 THR 33 3HG2 THR 33 1.258 -4.744 -7.953
221 H CYS 34 H CYS 34 2.851 -4.983 -3.952
222 HA CYS 34 HA CYS 34 3.510 -2.135 -3.649
223 1HB CYS 34 2HB CYS 34 3.792 -3.799 -1.712
224 2HB CYS 34 1HB CYS 34 5.161 -4.429 -2.616
225 H MET 35 H MET 35 4.878 -1.196 -5.024
226 HA MET 35 HA MET 35 6.666 -2.898 -6.622
227 1HB MET 35 2HB MET 35 4.632 -0.927 -7.545
228 2HB MET 35 1HB MET 35 6.140 -1.037 -8.442
229 1HG MET 35 2HG MET 35 5.070 -3.658 -7.932
230 2HG MET 35 1HG MET 35 3.873 -2.634 -8.721
231 1HE MET 35 1HE MET 35 7.055 -4.385 -8.658
232 2HE MET 35 2HE MET 35 8.037 -3.169 -9.476
233 3HE MET 35 3HE MET 35 7.522 -4.615 -10.344
234 H PHE 36 H PHE 36 8.487 -2.291 -5.453
235 HA PHE 36 HA PHE 36 10.245 -1.012 -4.782
236 1HB PHE 36 2HB PHE 36 10.627 -0.913 -7.155
237 2HB PHE 36 1HB PHE 36 9.463 0.386 -7.333
238 HD1 PHE 36 1HD PHE 36 12.626 -0.418 -5.584
239 HD2 PHE 36 2HD PHE 36 10.222 2.570 -7.411
240 HE1 PHE 36 1HE PHE 36 14.450 1.212 -5.297
241 HE2 PHE 36 2HE PHE 36 12.036 4.211 -7.133
242 HZ PHE 36 HZ PHE 36 14.154 3.531 -6.074
243 H PHE 37 H PHE 37 8.518 -0.377 -3.052
244 HA PHE 37 HA PHE 37 7.852 1.192 -1.558
245 1HB PHE 37 2HB PHE 37 9.438 3.228 -3.111
246 2HB PHE 37 1HB PHE 37 9.064 3.218 -1.390
247 HD1 PHE 37 1HD PHE 37 9.729 0.360 -0.789
248 HD2 PHE 37 2HD PHE 37 11.779 3.304 -3.077
249 HE1 PHE 37 1HE PHE 37 11.862 -0.778 -0.334
250 HE2 PHE 37 2HE PHE 37 13.917 2.171 -2.626
251 HZ PHE 37 HZ PHE 37 13.959 0.125 -1.253
252 H LYS 38 H LYS 38 6.717 1.049 -4.547
253 HA LYS 38 HA LYS 38 5.112 3.498 -4.347
254 1HB LYS 38 2HB LYS 38 6.371 2.210 -6.542
255 2HB LYS 38 1HB LYS 38 4.635 2.091 -6.791
256 1HG LYS 38 2HG LYS 38 4.368 4.385 -6.879
257 2HG LYS 38 1HG LYS 38 5.893 4.699 -6.053
258 1HD LYS 38 2HD LYS 38 6.804 3.404 -8.226
259 2HD LYS 38 1HD LYS 38 5.354 4.144 -8.904
260 1HE LYS 38 2HE LYS 38 6.778 6.046 -7.285
261 2HE LYS 38 1HE LYS 38 7.860 5.337 -8.483
262 1HZ LYS 38 1HZ LYS 38 6.586 6.126 -10.224
263 2HZ LYS 38 2HZ LYS 38 6.495 7.400 -9.115
264 3HZ LYS 38 3HZ LYS 38 5.198 6.325 -9.275
265 H CYS 39 H CYS 39 3.055 3.347 -3.748
266 HA CYS 39 HA CYS 39 1.908 0.713 -3.331
267 1HB CYS 39 2HB CYS 39 1.762 3.164 -1.974
268 2HB CYS 39 1HB CYS 39 0.149 2.894 -2.625
269 H LYS 40 H LYS 40 0.696 -0.225 -4.805
270 HA LYS 40 HA LYS 40 -0.985 1.456 -6.548
271 1HB LYS 40 2HB LYS 40 1.072 0.226 -7.583
272 2HB LYS 40 1HB LYS 40 0.069 -1.210 -7.438
273 1HG LYS 40 2HG LYS 40 -0.156 -0.329 -9.649
274 2HG LYS 40 1HG LYS 40 -1.672 -0.071 -8.785
275 1HD LYS 40 2HD LYS 40 -1.514 2.052 -9.473
276 2HD LYS 40 1HD LYS 40 -0.263 2.225 -8.241
277 1HE LYS 40 2HE LYS 40 1.134 2.785 -9.882
278 2HE LYS 40 1HE LYS 40 1.056 1.107 -10.416
279 1HZ LYS 40 1HZ LYS 40 -0.288 1.624 -12.135
280 2HZ LYS 40 2HZ LYS 40 0.421 3.150 -11.972
281 3HZ LYS 40 3HZ LYS 40 -1.101 2.851 -11.299
282 H CYS 41 H CYS 41 -2.945 0.355 -7.342
283 HA CYS 41 HA CYS 41 -4.057 -1.333 -5.244
284 1HB CYS 41 2HB CYS 41 -5.171 0.486 -7.317
285 2HB CYS 41 1HB CYS 41 -6.174 -0.830 -6.753
286 H ALA 42 H ALA 42 -6.013 -2.689 -6.428
287 HA ALA 42 HA ALA 42 -4.907 -4.171 -8.692
288 1HB ALA 42 1HB ALA 42 -5.713 -6.279 -7.245
289 2HB ALA 42 2HB ALA 42 -5.176 -5.217 -5.943
290 3HB ALA 42 3HB ALA 42 -4.056 -5.671 -7.228
Start of MODEL 9
1 1H ASP 1 1HT ASP 1 -10.969 13.991 -1.078
2 2H ASP 1 2HT ASP 1 -9.325 13.514 -0.947
3 3H ASP 1 3HT ASP 1 -10.316 12.857 -2.186
4 HA ASP 1 HA ASP 1 -10.408 14.824 -3.337
5 1HB ASP 1 2HB ASP 1 -10.659 16.062 -1.042
6 2HB ASP 1 1HB ASP 1 -8.916 16.276 -1.174
7 H ARG 2 H ARG 2 -8.980 13.486 -4.533
8 HA ARG 2 HA ARG 2 -7.028 12.950 -5.565
9 1HB ARG 2 2HB ARG 2 -7.031 15.655 -5.299
10 2HB ARG 2 1HB ARG 2 -5.529 15.247 -4.485
11 1HG ARG 2 2HG ARG 2 -4.734 14.096 -6.462
12 2HG ARG 2 1HG ARG 2 -6.263 14.413 -7.283
13 1HD ARG 2 2HD ARG 2 -5.325 16.895 -6.339
14 2HD ARG 2 1HD ARG 2 -3.941 16.078 -7.064
15 HE ARG 2 HE ARG 2 -6.014 15.786 -8.855
16 1HH1 ARG 2 1HH1 ARG 2 -4.283 18.443 -7.398
17 2HH1 ARG 2 2HH1 ARG 2 -4.511 19.498 -8.752
18 1HH2 ARG 2 1HH2 ARG 2 -6.316 17.171 -10.636
19 2HH2 ARG 2 2HH2 ARG 2 -5.666 18.777 -10.591
20 H ASP 3 H ASP 3 -7.497 12.001 -2.881
21 HA ASP 3 HA ASP 3 -5.242 12.129 -1.234
22 1HB ASP 3 2HB ASP 3 -7.456 11.212 -0.557
23 2HB ASP 3 1HB ASP 3 -7.135 9.788 -1.543
24 H SER 4 H SER 4 -6.148 9.275 -3.171
25 HA SER 4 HA SER 4 -4.890 7.666 -4.176
26 1HB SER 4 2HB SER 4 -2.744 9.720 -4.639
27 2HB SER 4 1HB SER 4 -3.263 8.403 -5.692
28 HG SER 4 HG SER 4 -4.157 10.195 -6.561
29 H CYS 5 H CYS 5 -4.313 6.262 -2.596
30 HA CYS 5 HA CYS 5 -2.488 6.745 -0.532
31 1HB CYS 5 2HB CYS 5 -3.348 4.146 -1.812
32 2HB CYS 5 1HB CYS 5 -2.391 4.244 -0.338
33 H VAL 6 H VAL 6 -1.994 5.818 -3.848
34 HA VAL 6 HA VAL 6 0.506 4.653 -3.785
35 HB VAL 6 HB VAL 6 -0.316 6.645 -5.867
36 1HG1 VAL 6 1HG1 VAL 6 0.899 4.674 -7.204
37 2HG1 VAL 6 2HG1 VAL 6 1.727 4.529 -5.653
38 3HG1 VAL 6 3HG1 VAL 6 1.763 6.057 -6.532
39 1HG2 VAL 6 1HG2 VAL 6 -1.041 4.207 -6.867
40 2HG2 VAL 6 2HG2 VAL 6 -2.146 5.385 -6.160
41 3HG2 VAL 6 3HG2 VAL 6 -1.508 4.071 -5.172
42 H ASP 7 H ASP 7 -0.362 8.016 -3.401
43 HA ASP 7 HA ASP 7 2.491 8.684 -3.096
44 1HB ASP 7 2HB ASP 7 0.411 9.962 -4.592
45 2HB ASP 7 1HB ASP 7 0.943 11.057 -3.321
46 H LYS 8 H LYS 8 0.704 7.529 -1.074
47 HA LYS 8 HA LYS 8 1.033 9.617 0.957
48 1HB LYS 8 2HB LYS 8 -1.365 9.486 0.183
49 2HB LYS 8 1HB LYS 8 -1.408 7.846 0.816
50 1HG LYS 8 2HG LYS 8 -0.441 9.284 2.942
51 2HG LYS 8 1HG LYS 8 -1.596 10.396 2.206
52 1HD LYS 8 2HD LYS 8 -2.932 9.203 3.672
53 2HD LYS 8 1HD LYS 8 -3.164 8.323 2.159
54 1HE LYS 8 2HE LYS 8 -2.806 6.659 3.771
55 2HE LYS 8 1HE LYS 8 -1.259 6.818 2.938
56 1HZ LYS 8 1HZ LYS 8 -0.348 7.995 4.733
57 2HZ LYS 8 2HZ LYS 8 -1.184 6.706 5.441
58 3HZ LYS 8 3HZ LYS 8 -1.856 8.258 5.456
59 H SER 9 H SER 9 0.009 6.215 0.601
60 HA SER 9 HA SER 9 1.422 5.540 3.057
61 1HB SER 9 2HB SER 9 -0.704 4.521 2.960
62 2HB SER 9 1HB SER 9 -0.495 4.046 1.275
63 HG SER 9 HG SER 9 1.003 3.021 3.458
64 H ARG 10 H ARG 10 3.514 5.087 2.933
65 HA ARG 10 HA ARG 10 4.941 4.537 0.605
66 1HB ARG 10 2HB ARG 10 5.568 5.070 3.217
67 2HB ARG 10 1HB ARG 10 6.071 3.391 3.062
68 1HG ARG 10 2HG ARG 10 7.966 4.638 2.540
69 2HG ARG 10 1HG ARG 10 7.328 4.131 0.974
70 1HD ARG 10 2HD ARG 10 6.039 6.468 1.255
71 2HD ARG 10 1HD ARG 10 7.494 6.823 2.185
72 HE ARG 10 HE ARG 10 7.288 6.688 -0.628
73 1HH1 ARG 10 1HH1 ARG 10 9.436 5.843 1.990
74 2HH1 ARG 10 2HH1 ARG 10 10.864 5.947 1.018
75 1HH2 ARG 10 1HH2 ARG 10 9.166 6.828 -1.908
76 2HH2 ARG 10 2HH2 ARG 10 10.711 6.507 -1.195
77 H CYS 11 H CYS 11 6.549 2.348 1.152
78 HA CYS 11 HA CYS 11 5.114 -0.032 1.657
79 1HB CYS 11 2HB CYS 11 4.371 0.921 -0.735
80 2HB CYS 11 1HB CYS 11 5.828 0.064 -1.228
81 H ALA 12 H ALA 12 6.432 -1.979 0.680
82 HA ALA 12 HA ALA 12 9.198 -1.493 1.436
83 1HB ALA 12 1HB ALA 12 9.051 -4.162 0.894
84 2HB ALA 12 2HB ALA 12 7.394 -3.801 1.382
85 3HB ALA 12 3HB ALA 12 8.734 -3.431 2.468
86 H LYS 13 H LYS 13 10.702 -3.199 0.108
87 HA LYS 13 HA LYS 13 11.275 -1.992 -2.308
88 1HB LYS 13 2HB LYS 13 12.876 -3.393 -1.122
89 2HB LYS 13 1HB LYS 13 11.896 -4.818 -1.437
90 1HG LYS 13 2HG LYS 13 12.405 -4.793 -3.729
91 2HG LYS 13 1HG LYS 13 13.040 -3.148 -3.652
92 1HD LYS 13 2HD LYS 13 14.798 -4.095 -2.056
93 2HD LYS 13 1HD LYS 13 14.269 -5.685 -2.609
94 1HE LYS 13 2HE LYS 13 14.775 -5.039 -4.919
95 2HE LYS 13 1HE LYS 13 15.316 -3.458 -4.355
96 1HZ LYS 13 1HZ LYS 13 16.572 -5.758 -3.100
97 2HZ LYS 13 2HZ LYS 13 17.250 -4.292 -3.602
98 3HZ LYS 13 3HZ LYS 13 16.950 -5.515 -4.731
99 H TYR 14 H TYR 14 9.323 -4.893 -1.713
100 HA TYR 14 HA TYR 14 7.585 -4.472 -3.842
101 1HB TYR 14 2HB TYR 14 8.438 -6.521 -5.240
102 2HB TYR 14 1HB TYR 14 9.116 -4.921 -5.511
103 HD1 TYR 14 1HD TYR 14 9.989 -6.956 -2.567
104 HD2 TYR 14 2HD TYR 14 11.166 -5.732 -6.468
105 HE1 TYR 14 1HE TYR 14 12.243 -7.851 -2.161
106 HE2 TYR 14 2HE TYR 14 13.423 -6.624 -6.073
107 HH TYR 14 HH TYR 14 14.169 -8.613 -3.376
108 H GLY 15 H GLY 15 6.277 -6.484 -4.375
109 1HA GLY 15 2HA GLY 15 5.618 -8.709 -3.707
110 2HA GLY 15 1HA GLY 15 6.325 -8.394 -2.130
111 H TYR 16 H TYR 16 4.632 -8.651 -0.793
112 HA TYR 16 HA TYR 16 2.206 -7.078 -1.347
113 1HB TYR 16 2HB TYR 16 2.029 -9.621 -1.208
114 2HB TYR 16 1HB TYR 16 2.370 -9.448 0.510
115 HD1 TYR 16 1HD TYR 16 0.783 -8.079 1.925
116 HD2 TYR 16 2HD TYR 16 -0.143 -9.276 -2.051
117 HE1 TYR 16 1HE TYR 16 -1.601 -7.666 2.363
118 HE2 TYR 16 2HE TYR 16 -2.530 -8.866 -1.625
119 HH TYR 16 HH TYR 16 -3.916 -7.491 -0.079
120 H TYR 17 H TYR 17 1.578 -5.569 0.075
121 HA TYR 17 HA TYR 17 2.872 -5.502 2.713
122 1HB TYR 17 2HB TYR 17 3.885 -3.876 1.035
123 2HB TYR 17 1HB TYR 17 2.345 -3.028 1.063
124 HD1 TYR 17 1HD TYR 17 3.149 -0.964 1.932
125 HD2 TYR 17 2HD TYR 17 3.909 -4.587 4.032
126 HE1 TYR 17 1HE TYR 17 3.906 0.331 3.882
127 HE2 TYR 17 2HE TYR 17 4.662 -3.302 5.988
128 HH TYR 17 HH TYR 17 5.487 -0.124 5.894
129 H GLN 18 H GLN 18 1.239 -5.941 4.054
130 HA GLN 18 HA GLN 18 -1.447 -5.682 3.693
131 1HB GLN 18 2HB GLN 18 0.021 -6.584 5.712
132 2HB GLN 18 1HB GLN 18 -0.406 -5.027 6.405
133 1HG GLN 18 2HG GLN 18 -2.830 -5.774 5.648
134 2HG GLN 18 1HG GLN 18 -2.110 -7.375 5.809
135 1HE2 GLN 18 1HE2 GLN 18 -2.585 -4.325 7.526
136 2HE2 GLN 18 2HE2 GLN 18 -2.663 -5.019 9.106
137 H GLU 19 H GLU 19 0.803 -3.142 4.508
138 HA GLU 19 HA GLU 19 -1.082 -1.224 5.380
139 1HB GLU 19 2HB GLU 19 1.730 -1.346 4.943
140 2HB GLU 19 1HB GLU 19 1.119 0.068 4.096
141 1HG GLU 19 2HG GLU 19 -0.002 -0.172 6.755
142 2HG GLU 19 1HG GLU 19 1.760 -0.113 6.777
143 H CYS 20 H CYS 20 0.266 -2.013 2.214
144 HA CYS 20 HA CYS 20 -0.988 0.124 0.824
145 1HB CYS 20 2HB CYS 20 1.019 -1.234 0.055
146 2HB CYS 20 1HB CYS 20 -0.117 -2.506 -0.372
147 H GLN 21 H GLN 21 -1.709 -3.369 0.914
148 HA GLN 21 HA GLN 21 -4.070 -3.281 -0.551
149 1HB GLN 21 2HB GLN 21 -4.601 -5.442 0.415
150 2HB GLN 21 1HB GLN 21 -2.890 -5.360 0.020
151 1HG GLN 21 2HG GLN 21 -2.335 -5.835 2.085
152 2HG GLN 21 1HG GLN 21 -3.285 -4.492 2.708
153 1HE2 GLN 21 1HE2 GLN 21 -5.797 -5.097 2.340
154 2HE2 GLN 21 2HE2 GLN 21 -6.234 -6.591 3.088
155 H ASP 22 H ASP 22 -3.466 -2.546 2.806
156 HA ASP 22 HA ASP 22 -6.164 -2.575 3.678
157 1HB ASP 22 2HB ASP 22 -4.253 -2.695 5.235
158 2HB ASP 22 1HB ASP 22 -3.806 -1.047 4.805
159 H CYS 23 H CYS 23 -4.002 0.018 2.581
160 HA CYS 23 HA CYS 23 -5.756 2.164 2.910
161 1HB CYS 23 2HB CYS 23 -3.205 1.974 2.164
162 2HB CYS 23 1HB CYS 23 -3.934 2.159 0.580
163 H CYS 24 H CYS 24 -4.994 0.429 -0.095
164 HA CYS 24 HA CYS 24 -6.803 1.568 -1.796
165 1HB CYS 24 2HB CYS 24 -5.072 -0.182 -2.345
166 2HB CYS 24 1HB CYS 24 -6.206 -1.391 -1.754
167 H LYS 25 H LYS 25 -7.423 -1.382 0.122
168 HA LYS 25 HA LYS 25 -10.095 -1.712 -0.562
169 1HB LYS 25 2HB LYS 25 -9.047 -3.498 0.558
170 2HB LYS 25 1HB LYS 25 -8.496 -2.469 1.870
171 1HG LYS 25 2HG LYS 25 -11.421 -2.785 1.475
172 2HG LYS 25 1HG LYS 25 -10.513 -4.134 2.163
173 1HD LYS 25 2HD LYS 25 -10.073 -1.403 3.268
174 2HD LYS 25 1HD LYS 25 -11.551 -2.259 3.697
175 1HE LYS 25 2HE LYS 25 -10.313 -3.159 5.334
176 2HE LYS 25 1HE LYS 25 -9.668 -4.194 4.060
177 1HZ LYS 25 1HZ LYS 25 -8.425 -1.941 5.433
178 2HZ LYS 25 2HZ LYS 25 -8.072 -2.116 3.789
179 3HZ LYS 25 3HZ LYS 25 -7.734 -3.378 4.864
180 H ASN 26 H ASN 26 -8.612 0.352 1.863
181 HA ASN 26 HA ASN 26 -11.011 1.096 3.183
182 1HB ASN 26 2HB ASN 26 -8.304 1.491 3.604
183 2HB ASN 26 1HB ASN 26 -8.896 3.107 3.242
184 1HD2 ASN 26 1HD2 ASN 26 -9.688 0.264 5.201
185 2HD2 ASN 26 2HD2 ASN 26 -10.254 1.152 6.570
186 H ALA 27 H ALA 27 -9.479 2.125 0.258
187 HA ALA 27 HA ALA 27 -10.833 4.659 0.104
188 1HB ALA 27 1HB ALA 27 -9.018 3.105 -1.670
189 2HB ALA 27 2HB ALA 27 -8.880 4.764 -1.086
190 3HB ALA 27 3HB ALA 27 -10.010 4.376 -2.383
191 H GLY 28 H GLY 28 -11.265 1.436 -1.254
192 1HA GLY 28 2HA GLY 28 -13.870 1.122 -1.373
193 2HA GLY 28 1HA GLY 28 -13.671 2.302 -2.657
194 H HIS 29 H HIS 29 -11.453 -0.327 -1.861
195 HA HIS 29 HA HIS 29 -12.294 -1.759 -4.271
196 1HB HIS 29 2HB HIS 29 -9.389 -1.171 -3.708
197 2HB HIS 29 1HB HIS 29 -10.077 -1.897 -5.155
198 HD1 HIS 29 1HD HIS 29 -11.994 -0.088 -6.274
199 HD2 HIS 29 2HD HIS 29 -8.729 1.398 -4.178
200 HE1 HIS 29 1HE HIS 29 -11.733 2.294 -7.036
201 HE2 HIS 29 2HE HIS 29 -9.714 3.156 -5.800
202 H ASN 30 H ASN 30 -9.860 -3.477 -4.048
203 HA ASN 30 HA ASN 30 -10.682 -4.994 -1.664
204 1HB ASN 30 2HB ASN 30 -10.902 -5.838 -4.223
205 2HB ASN 30 1HB ASN 30 -9.281 -6.417 -3.848
206 1HD2 ASN 30 1HD2 ASN 30 -12.374 -6.201 -2.113
207 2HD2 ASN 30 2HD2 ASN 30 -12.385 -7.847 -1.587
208 H GLY 31 H GLY 31 -7.887 -4.303 -3.776
209 1HA GLY 31 2HA GLY 31 -6.137 -3.902 -1.583
210 2HA GLY 31 1HA GLY 31 -5.923 -5.524 -2.222
211 H GLY 32 H GLY 32 -3.823 -5.105 -2.915
212 1HA GLY 32 2HA GLY 32 -3.584 -4.158 -5.563
213 2HA GLY 32 1HA GLY 32 -3.011 -2.921 -4.458
214 H THR 33 H THR 33 -1.020 -3.380 -5.786
215 HA THR 33 HA THR 33 0.492 -5.608 -4.586
216 HB THR 33 HB THR 33 0.329 -6.088 -6.895
217 HG1 THR 33 1HG THR 33 2.385 -6.349 -7.140
218 1HG2 THR 33 1HG2 THR 33 -0.455 -4.240 -8.009
219 2HG2 THR 33 2HG2 THR 33 1.219 -4.317 -8.564
220 3HG2 THR 33 3HG2 THR 33 0.756 -3.169 -7.306
221 H CYS 34 H CYS 34 2.861 -5.203 -4.421
222 HA CYS 34 HA CYS 34 3.376 -2.369 -3.798
223 1HB CYS 34 2HB CYS 34 3.241 -3.846 -1.801
224 2HB CYS 34 1HB CYS 34 4.585 -4.785 -2.442
225 H MET 35 H MET 35 4.793 -1.466 -5.115
226 HA MET 35 HA MET 35 6.777 -3.148 -6.465
227 1HB MET 35 2HB MET 35 6.043 -0.299 -7.132
228 2HB MET 35 1HB MET 35 6.911 -1.448 -8.134
229 1HG MET 35 2HG MET 35 4.877 -2.817 -8.295
230 2HG MET 35 1HG MET 35 4.015 -1.609 -7.344
231 1HE MET 35 1HE MET 35 6.771 -0.428 -9.872
232 2HE MET 35 2HE MET 35 5.914 -0.548 -11.409
233 3HE MET 35 3HE MET 35 6.301 -2.009 -10.498
234 H PHE 36 H PHE 36 8.572 -1.107 -7.150
235 HA PHE 36 HA PHE 36 10.377 -1.108 -5.070
236 1HB PHE 36 2HB PHE 36 10.485 -0.370 -7.669
237 2HB PHE 36 1HB PHE 36 10.524 1.211 -6.902
238 HD1 PHE 36 1HD PHE 36 12.029 0.394 -4.416
239 HD2 PHE 36 2HD PHE 36 12.670 -0.454 -8.531
240 HE1 PHE 36 1HE PHE 36 14.436 0.123 -3.977
241 HE2 PHE 36 2HE PHE 36 15.078 -0.730 -8.105
242 HZ PHE 36 HZ PHE 36 15.964 -0.442 -5.825
243 H PHE 37 H PHE 37 8.762 -0.566 -3.397
244 HA PHE 37 HA PHE 37 8.125 0.783 -1.686
245 1HB PHE 37 2HB PHE 37 10.101 2.621 -3.027
246 2HB PHE 37 1HB PHE 37 9.177 3.130 -1.617
247 HD1 PHE 37 1HD PHE 37 10.897 -0.055 -2.529
248 HD2 PHE 37 2HD PHE 37 10.522 3.154 0.241
249 HE1 PHE 37 1HE PHE 37 12.546 -1.136 -1.061
250 HE2 PHE 37 2HE PHE 37 12.173 2.077 1.715
251 HZ PHE 37 HZ PHE 37 13.186 -0.073 1.063
252 H LYS 38 H LYS 38 6.628 0.559 -4.112
253 HA LYS 38 HA LYS 38 5.175 3.124 -4.032
254 1HB LYS 38 2HB LYS 38 6.074 1.488 -6.324
255 2HB LYS 38 1HB LYS 38 4.429 2.102 -6.431
256 1HG LYS 38 2HG LYS 38 5.125 4.321 -6.419
257 2HG LYS 38 1HG LYS 38 6.709 3.919 -5.753
258 1HD LYS 38 2HD LYS 38 7.462 3.035 -7.802
259 2HD LYS 38 1HD LYS 38 5.827 2.960 -8.461
260 1HE LYS 38 2HE LYS 38 5.722 5.273 -8.776
261 2HE LYS 38 1HE LYS 38 7.069 5.574 -7.680
262 1HZ LYS 38 1HZ LYS 38 7.188 4.411 -10.404
263 2HZ LYS 38 2HZ LYS 38 8.500 4.402 -9.335
264 3HZ LYS 38 3HZ LYS 38 7.859 5.871 -9.875
265 H CYS 39 H CYS 39 3.050 3.025 -3.584
266 HA CYS 39 HA CYS 39 1.901 0.365 -3.140
267 1HB CYS 39 2HB CYS 39 1.888 1.857 -1.211
268 2HB CYS 39 1HB CYS 39 1.030 3.083 -2.137
269 H LYS 40 H LYS 40 0.844 -0.379 -4.870
270 HA LYS 40 HA LYS 40 -0.969 1.474 -6.278
271 1HB LYS 40 2HB LYS 40 1.018 0.556 -7.588
272 2HB LYS 40 1HB LYS 40 0.242 -1.018 -7.475
273 1HG LYS 40 2HG LYS 40 -1.241 -0.533 -9.074
274 2HG LYS 40 1HG LYS 40 -1.524 1.094 -8.452
275 1HD LYS 40 2HD LYS 40 1.125 0.874 -9.571
276 2HD LYS 40 1HD LYS 40 -0.092 0.373 -10.747
277 1HE LYS 40 2HE LYS 40 -0.678 2.832 -9.220
278 2HE LYS 40 1HE LYS 40 0.656 2.930 -10.369
279 1HZ LYS 40 1HZ LYS 40 -0.724 2.747 -12.122
280 2HZ LYS 40 2HZ LYS 40 -1.878 3.339 -11.036
281 3HZ LYS 40 3HZ LYS 40 -1.781 1.679 -11.343
282 H CYS 41 H CYS 41 -2.960 0.526 -7.099
283 HA CYS 41 HA CYS 41 -4.044 -1.395 -5.226
284 1HB CYS 41 2HB CYS 41 -5.169 0.493 -7.250
285 2HB CYS 41 1HB CYS 41 -6.153 -0.831 -6.670
286 H ALA 42 H ALA 42 -5.934 -2.727 -6.521
287 HA ALA 42 HA ALA 42 -4.400 -4.501 -8.270
288 1HB ALA 42 1HB ALA 42 -5.704 -6.212 -7.546
289 2HB ALA 42 2HB ALA 42 -7.152 -5.212 -7.443
290 3HB ALA 42 3HB ALA 42 -5.929 -5.125 -6.176
Start of MODEL 10
1 1H ASP 1 1HT ASP 1 -11.909 10.756 -4.266
2 2H ASP 1 2HT ASP 1 -11.730 12.005 -3.104
3 3H ASP 1 3HT ASP 1 -10.521 10.798 -3.261
4 HA ASP 1 HA ASP 1 -10.273 11.578 -5.609
5 1HB ASP 1 2HB ASP 1 -12.136 13.577 -4.414
6 2HB ASP 1 1HB ASP 1 -10.901 14.172 -5.520
7 H ARG 2 H ARG 2 -10.104 12.917 -2.375
8 HA ARG 2 HA ARG 2 -7.489 14.108 -2.960
9 1HB ARG 2 2HB ARG 2 -9.590 15.093 -1.532
10 2HB ARG 2 1HB ARG 2 -8.609 14.398 -0.249
11 1HG ARG 2 2HG ARG 2 -6.722 15.747 -0.895
12 2HG ARG 2 1HG ARG 2 -7.603 16.367 -2.293
13 1HD ARG 2 2HD ARG 2 -9.174 16.791 0.050
14 2HD ARG 2 1HD ARG 2 -7.544 17.392 0.345
15 HE ARG 2 HE ARG 2 -9.491 18.459 -1.498
16 1HH1 ARG 2 1HH1 ARG 2 -6.112 18.310 -0.629
17 2HH1 ARG 2 2HH1 ARG 2 -5.715 19.795 -1.426
18 1HH2 ARG 2 1HH2 ARG 2 -8.968 20.410 -2.546
19 2HH2 ARG 2 2HH2 ARG 2 -7.336 20.987 -2.513
20 H ASP 3 H ASP 3 -7.858 11.248 -2.803
21 HA ASP 3 HA ASP 3 -6.519 10.546 -0.295
22 1HB ASP 3 2HB ASP 3 -8.359 9.190 -2.067
23 2HB ASP 3 1HB ASP 3 -6.919 8.211 -1.805
24 H SER 4 H SER 4 -6.146 8.990 -3.456
25 HA SER 4 HA SER 4 -4.289 8.337 -4.600
26 1HB SER 4 2HB SER 4 -3.339 11.059 -3.677
27 2HB SER 4 1HB SER 4 -2.559 10.095 -4.931
28 HG SER 4 HG SER 4 -4.309 10.360 -6.231
29 H CYS 5 H CYS 5 -4.157 6.788 -2.661
30 HA CYS 5 HA CYS 5 -2.245 7.147 -0.641
31 1HB CYS 5 2HB CYS 5 -4.106 5.301 -1.018
32 2HB CYS 5 1HB CYS 5 -2.761 4.414 -1.726
33 H VAL 6 H VAL 6 -1.937 6.194 -3.973
34 HA VAL 6 HA VAL 6 0.369 4.811 -4.167
35 HB VAL 6 HB VAL 6 -1.090 5.829 -6.025
36 1HG1 VAL 6 1HG1 VAL 6 -0.211 7.812 -7.122
37 2HG1 VAL 6 2HG1 VAL 6 0.982 8.003 -5.839
38 3HG1 VAL 6 3HG1 VAL 6 -0.735 8.176 -5.478
39 1HG2 VAL 6 1HG2 VAL 6 1.436 6.046 -7.266
40 2HG2 VAL 6 2HG2 VAL 6 0.350 4.659 -7.239
41 3HG2 VAL 6 3HG2 VAL 6 1.581 4.837 -5.990
42 H ASP 7 H ASP 7 0.152 8.305 -3.688
43 HA ASP 7 HA ASP 7 3.009 8.311 -2.953
44 1HB ASP 7 2HB ASP 7 1.842 9.771 -4.954
45 2HB ASP 7 1HB ASP 7 1.797 10.910 -3.611
46 H LYS 8 H LYS 8 1.026 7.604 -1.107
47 HA LYS 8 HA LYS 8 1.177 9.890 0.740
48 1HB LYS 8 2HB LYS 8 -1.155 9.267 -0.315
49 2HB LYS 8 1HB LYS 8 -1.126 7.990 0.894
50 1HG LYS 8 2HG LYS 8 -0.515 10.035 2.474
51 2HG LYS 8 1HG LYS 8 -1.400 10.917 1.228
52 1HD LYS 8 2HD LYS 8 -2.910 10.238 3.001
53 2HD LYS 8 1HD LYS 8 -3.296 9.372 1.512
54 1HE LYS 8 2HE LYS 8 -2.599 7.362 2.338
55 2HE LYS 8 1HE LYS 8 -1.395 8.094 3.398
56 1HZ LYS 8 1HZ LYS 8 -3.170 7.167 4.700
57 2HZ LYS 8 2HZ LYS 8 -4.331 8.044 3.837
58 3HZ LYS 8 3HZ LYS 8 -3.224 8.854 4.827
59 H SER 9 H SER 9 0.727 6.377 0.461
60 HA SER 9 HA SER 9 1.848 6.062 3.156
61 1HB SER 9 2HB SER 9 -0.387 4.976 2.406
62 2HB SER 9 1HB SER 9 0.640 3.828 1.546
63 HG SER 9 HG SER 9 0.081 3.161 3.696
64 H ARG 10 H ARG 10 3.556 4.624 3.554
65 HA ARG 10 HA ARG 10 5.425 4.387 1.354
66 1HB ARG 10 2HB ARG 10 5.977 5.134 3.754
67 2HB ARG 10 1HB ARG 10 5.871 3.428 4.171
68 1HG ARG 10 2HG ARG 10 7.550 3.162 2.176
69 2HG ARG 10 1HG ARG 10 7.892 4.858 2.526
70 1HD ARG 10 2HD ARG 10 7.970 2.638 4.563
71 2HD ARG 10 1HD ARG 10 9.384 3.264 3.719
72 HE ARG 10 HE ARG 10 7.791 4.670 5.739
73 1HH1 ARG 10 1HH1 ARG 10 10.585 4.597 3.634
74 2HH1 ARG 10 2HH1 ARG 10 11.373 5.908 4.440
75 1HH2 ARG 10 1HH2 ARG 10 8.833 6.393 6.786
76 2HH2 ARG 10 2HH2 ARG 10 10.382 6.929 6.226
77 H CYS 11 H CYS 11 6.458 2.425 0.762
78 HA CYS 11 HA CYS 11 5.026 -0.024 1.531
79 1HB CYS 11 2HB CYS 11 4.535 1.070 -0.845
80 2HB CYS 11 1HB CYS 11 6.021 0.233 -1.268
81 H ALA 12 H ALA 12 6.310 -2.002 0.636
82 HA ALA 12 HA ALA 12 9.027 -1.712 1.623
83 1HB ALA 12 1HB ALA 12 8.418 -3.661 2.536
84 2HB ALA 12 2HB ALA 12 8.717 -4.359 0.945
85 3HB ALA 12 3HB ALA 12 7.084 -3.875 1.403
86 H LYS 13 H LYS 13 10.454 -3.585 0.312
87 HA LYS 13 HA LYS 13 11.299 -2.301 -1.998
88 1HB LYS 13 2HB LYS 13 12.323 -4.218 -0.440
89 2HB LYS 13 1HB LYS 13 11.769 -5.215 -1.771
90 1HG LYS 13 2HG LYS 13 13.371 -4.483 -3.161
91 2HG LYS 13 1HG LYS 13 13.267 -2.825 -2.567
92 1HD LYS 13 2HD LYS 13 14.642 -5.121 -1.173
93 2HD LYS 13 1HD LYS 13 15.440 -3.818 -2.052
94 1HE LYS 13 2HE LYS 13 13.807 -2.479 -0.283
95 2HE LYS 13 1HE LYS 13 14.368 -3.864 0.654
96 1HZ LYS 13 1HZ LYS 13 16.209 -2.104 -0.861
97 2HZ LYS 13 2HZ LYS 13 16.602 -3.244 0.327
98 3HZ LYS 13 3HZ LYS 13 15.795 -1.821 0.756
99 H TYR 14 H TYR 14 9.149 -5.101 -1.636
100 HA TYR 14 HA TYR 14 7.560 -4.549 -3.823
101 1HB TYR 14 2HB TYR 14 8.537 -6.577 -5.270
102 2HB TYR 14 1HB TYR 14 9.052 -4.912 -5.511
103 HD1 TYR 14 1HD TYR 14 10.048 -7.184 -2.742
104 HD2 TYR 14 2HD TYR 14 11.236 -5.206 -6.315
105 HE1 TYR 14 1HE TYR 14 12.379 -7.847 -2.327
106 HE2 TYR 14 2HE TYR 14 13.569 -5.865 -5.912
107 HH TYR 14 HH TYR 14 14.690 -7.914 -4.520
108 H GLY 15 H GLY 15 6.027 -6.220 -4.320
109 1HA GLY 15 2HA GLY 15 5.365 -8.567 -3.967
110 2HA GLY 15 1HA GLY 15 6.078 -8.440 -2.367
111 H TYR 16 H TYR 16 4.397 -8.755 -1.043
112 HA TYR 16 HA TYR 16 1.954 -7.182 -1.491
113 1HB TYR 16 2HB TYR 16 1.812 -9.707 -1.339
114 2HB TYR 16 1HB TYR 16 2.271 -9.552 0.353
115 HD1 TYR 16 1HD TYR 16 0.773 -8.033 1.822
116 HD2 TYR 16 2HD TYR 16 -0.429 -9.596 -1.947
117 HE1 TYR 16 1HE TYR 16 -1.582 -7.675 2.433
118 HE2 TYR 16 2HE TYR 16 -2.787 -9.242 -1.349
119 HH TYR 16 HH TYR 16 -4.007 -7.520 0.390
120 H TYR 17 H TYR 17 1.493 -5.553 -0.175
121 HA TYR 17 HA TYR 17 2.813 -5.447 2.457
122 1HB TYR 17 2HB TYR 17 3.512 -3.782 0.512
123 2HB TYR 17 1HB TYR 17 2.069 -2.925 1.040
124 HD1 TYR 17 1HD TYR 17 2.880 -1.011 2.098
125 HD2 TYR 17 2HD TYR 17 4.568 -4.792 3.077
126 HE1 TYR 17 1HE TYR 17 4.170 0.041 3.910
127 HE2 TYR 17 2HE TYR 17 5.859 -3.752 4.893
128 HH TYR 17 HH TYR 17 6.142 -0.354 5.235
129 H GLN 18 H GLN 18 1.323 -5.746 3.971
130 HA GLN 18 HA GLN 18 -1.412 -5.645 3.690
131 1HB GLN 18 2HB GLN 18 0.221 -6.384 5.683
132 2HB GLN 18 1HB GLN 18 -0.332 -4.848 6.335
133 1HG GLN 18 2HG GLN 18 -1.997 -6.077 7.179
134 2HG GLN 18 1HG GLN 18 -2.681 -5.928 5.560
135 1HE2 GLN 18 1HE2 GLN 18 -1.960 -8.050 7.954
136 2HE2 GLN 18 2HE2 GLN 18 -1.872 -9.510 7.035
137 H GLU 19 H GLU 19 0.797 -3.016 4.181
138 HA GLU 19 HA GLU 19 -1.109 -1.114 5.105
139 1HB GLU 19 2HB GLU 19 1.596 -1.153 4.975
140 2HB GLU 19 1HB GLU 19 1.233 -0.132 3.591
141 1HG GLU 19 2HG GLU 19 0.607 1.591 4.869
142 2HG GLU 19 1HG GLU 19 -0.249 0.561 6.017
143 H CYS 20 H CYS 20 0.159 -1.985 1.925
144 HA CYS 20 HA CYS 20 -1.197 0.084 0.520
145 1HB CYS 20 2HB CYS 20 0.793 -1.686 -0.107
146 2HB CYS 20 1HB CYS 20 -0.570 -2.356 -0.995
147 H GLN 21 H GLN 21 -1.868 -3.386 0.974
148 HA GLN 21 HA GLN 21 -4.232 -3.438 -0.541
149 1HB GLN 21 2HB GLN 21 -4.725 -5.542 0.597
150 2HB GLN 21 1HB GLN 21 -3.042 -5.475 0.093
151 1HG GLN 21 2HG GLN 21 -2.389 -5.874 2.142
152 2HG GLN 21 1HG GLN 21 -3.221 -4.436 2.722
153 1HE2 GLN 21 1HE2 GLN 21 -5.623 -4.738 3.022
154 2HE2 GLN 21 2HE2 GLN 21 -6.133 -6.217 3.755
155 H ASP 22 H ASP 22 -3.588 -2.521 2.769
156 HA ASP 22 HA ASP 22 -6.288 -2.536 3.656
157 1HB ASP 22 2HB ASP 22 -3.689 -1.590 4.698
158 2HB ASP 22 1HB ASP 22 -5.102 -0.733 5.303
159 H CYS 23 H CYS 23 -4.144 -0.005 2.405
160 HA CYS 23 HA CYS 23 -5.854 2.174 2.702
161 1HB CYS 23 2HB CYS 23 -3.339 1.903 1.863
162 2HB CYS 23 1HB CYS 23 -4.130 2.047 0.305
163 H CYS 24 H CYS 24 -5.234 0.340 -0.283
164 HA CYS 24 HA CYS 24 -7.173 1.463 -1.881
165 1HB CYS 24 2HB CYS 24 -5.348 -0.245 -2.465
166 2HB CYS 24 1HB CYS 24 -6.512 -1.471 -1.983
167 H LYS 25 H LYS 25 -7.515 -1.561 -0.012
168 HA LYS 25 HA LYS 25 -10.155 -2.116 -0.533
169 1HB LYS 25 2HB LYS 25 -8.821 -3.695 0.667
170 2HB LYS 25 1HB LYS 25 -8.531 -2.554 1.972
171 1HG LYS 25 2HG LYS 25 -11.332 -3.361 1.380
172 2HG LYS 25 1HG LYS 25 -10.274 -4.493 2.225
173 1HD LYS 25 2HD LYS 25 -10.145 -1.766 3.268
174 2HD LYS 25 1HD LYS 25 -11.743 -2.501 3.404
175 1HE LYS 25 2HE LYS 25 -10.791 -3.205 5.365
176 2HE LYS 25 1HE LYS 25 -10.376 -4.551 4.304
177 1HZ LYS 25 1HZ LYS 25 -8.478 -2.340 4.442
178 2HZ LYS 25 2HZ LYS 25 -8.195 -4.002 4.307
179 3HZ LYS 25 3HZ LYS 25 -8.593 -3.331 5.808
180 H ASN 26 H ASN 26 -8.822 0.132 1.840
181 HA ASN 26 HA ASN 26 -11.308 0.751 3.074
182 1HB ASN 26 2HB ASN 26 -8.647 1.299 3.601
183 2HB ASN 26 1HB ASN 26 -9.307 2.875 3.186
184 1HD2 ASN 26 1HD2 ASN 26 -8.984 0.526 5.575
185 2HD2 ASN 26 2HD2 ASN 26 -10.058 1.208 6.743
186 H ALA 27 H ALA 27 -9.695 1.847 0.211
187 HA ALA 27 HA ALA 27 -11.149 4.302 -0.053
188 1HB ALA 27 1HB ALA 27 -9.846 4.694 -1.856
189 2HB ALA 27 2HB ALA 27 -10.023 3.053 -2.478
190 3HB ALA 27 3HB ALA 27 -8.881 3.384 -1.176
191 H GLY 28 H GLY 28 -11.603 0.990 -1.055
192 1HA GLY 28 2HA GLY 28 -14.116 0.564 -1.266
193 2HA GLY 28 1HA GLY 28 -14.010 1.762 -2.543
194 H HIS 29 H HIS 29 -11.581 -0.696 -1.875
195 HA HIS 29 HA HIS 29 -12.435 -2.175 -4.254
196 1HB HIS 29 2HB HIS 29 -9.582 -1.307 -3.754
197 2HB HIS 29 1HB HIS 29 -10.167 -2.233 -5.132
198 HD1 HIS 29 1HD HIS 29 -12.384 -0.727 -6.273
199 HD2 HIS 29 2HD HIS 29 -9.136 1.225 -4.570
200 HE1 HIS 29 1HE HIS 29 -12.385 1.579 -7.274
201 HE2 HIS 29 2HE HIS 29 -10.358 2.711 -6.297
202 H ASN 30 H ASN 30 -9.931 -3.777 -4.136
203 HA ASN 30 HA ASN 30 -10.681 -5.435 -1.836
204 1HB ASN 30 2HB ASN 30 -10.396 -6.103 -4.497
205 2HB ASN 30 1HB ASN 30 -8.869 -6.634 -3.799
206 1HD2 ASN 30 1HD2 ASN 30 -8.817 -8.478 -2.689
207 2HD2 ASN 30 2HD2 ASN 30 -10.201 -9.425 -2.270
208 H GLY 31 H GLY 31 -7.789 -4.354 -3.628
209 1HA GLY 31 2HA GLY 31 -6.346 -3.764 -1.265
210 2HA GLY 31 1HA GLY 31 -5.868 -5.341 -1.875
211 H GLY 32 H GLY 32 -3.754 -4.495 -2.207
212 1HA GLY 32 2HA GLY 32 -3.469 -3.316 -4.839
213 2HA GLY 32 1HA GLY 32 -2.868 -2.329 -3.517
214 H THR 33 H THR 33 -1.110 -3.012 -5.405
215 HA THR 33 HA THR 33 0.433 -5.240 -4.252
216 HB THR 33 HB THR 33 -0.150 -5.619 -6.585
217 HG1 THR 33 1HG THR 33 1.785 -6.319 -7.020
218 1HG2 THR 33 1HG2 THR 33 1.158 -4.048 -8.236
219 2HG2 THR 33 2HG2 THR 33 0.888 -2.866 -6.957
220 3HG2 THR 33 3HG2 THR 33 -0.484 -3.675 -7.714
221 H CYS 34 H CYS 34 2.829 -4.970 -4.431
222 HA CYS 34 HA CYS 34 3.580 -2.178 -3.863
223 1HB CYS 34 2HB CYS 34 3.656 -3.912 -1.965
224 2HB CYS 34 1HB CYS 34 5.048 -4.580 -2.806
225 H MET 35 H MET 35 4.931 -1.291 -5.271
226 HA MET 35 HA MET 35 6.793 -3.039 -6.739
227 1HB MET 35 2HB MET 35 4.859 -1.028 -7.758
228 2HB MET 35 1HB MET 35 6.428 -1.101 -8.548
229 1HG MET 35 2HG MET 35 5.257 -3.729 -8.171
230 2HG MET 35 1HG MET 35 4.228 -2.656 -9.119
231 1HE MET 35 1HE MET 35 5.957 -1.196 -11.583
232 2HE MET 35 2HE MET 35 4.420 -1.934 -11.134
233 3HE MET 35 3HE MET 35 5.406 -2.655 -12.406
234 H PHE 36 H PHE 36 8.673 -2.552 -5.721
235 HA PHE 36 HA PHE 36 10.406 -1.343 -4.845
236 1HB PHE 36 2HB PHE 36 10.838 -1.264 -7.240
237 2HB PHE 36 1HB PHE 36 9.850 0.181 -7.387
238 HD1 PHE 36 1HD PHE 36 12.971 -1.170 -5.992
239 HD2 PHE 36 2HD PHE 36 10.741 2.327 -6.924
240 HE1 PHE 36 1HE PHE 36 14.968 0.206 -5.575
241 HE2 PHE 36 2HE PHE 36 12.733 3.714 -6.511
242 HZ PHE 36 HZ PHE 36 14.850 2.653 -5.836
243 H PHE 37 H PHE 37 9.061 -0.578 -3.038
244 HA PHE 37 HA PHE 37 8.318 1.022 -1.614
245 1HB PHE 37 2HB PHE 37 10.023 2.938 -3.201
246 2HB PHE 37 1HB PHE 37 9.618 3.012 -1.488
247 HD1 PHE 37 1HD PHE 37 10.081 -0.015 -1.029
248 HD2 PHE 37 2HD PHE 37 12.399 3.043 -2.868
249 HE1 PHE 37 1HE PHE 37 12.134 -1.254 -0.487
250 HE2 PHE 37 2HE PHE 37 14.459 1.806 -2.333
251 HZ PHE 37 HZ PHE 37 14.325 -0.349 -1.142
252 H LYS 38 H LYS 38 6.953 0.700 -4.329
253 HA LYS 38 HA LYS 38 5.541 3.285 -4.316
254 1HB LYS 38 2HB LYS 38 6.797 2.303 -6.451
255 2HB LYS 38 1HB LYS 38 5.286 1.421 -6.628
256 1HG LYS 38 2HG LYS 38 4.285 3.856 -6.249
257 2HG LYS 38 1HG LYS 38 5.850 4.307 -6.930
258 1HD LYS 38 2HD LYS 38 5.309 2.569 -8.756
259 2HD LYS 38 1HD LYS 38 3.650 2.687 -8.167
260 1HE LYS 38 2HE LYS 38 5.277 5.081 -8.988
261 2HE LYS 38 1HE LYS 38 4.252 4.187 -10.110
262 1HZ LYS 38 1HZ LYS 38 2.346 4.683 -8.730
263 2HZ LYS 38 2HZ LYS 38 3.121 6.118 -9.177
264 3HZ LYS 38 3HZ LYS 38 3.319 5.502 -7.615
265 H CYS 39 H CYS 39 3.392 3.288 -3.936
266 HA CYS 39 HA CYS 39 2.165 0.693 -3.331
267 1HB CYS 39 2HB CYS 39 2.246 3.102 -1.912
268 2HB CYS 39 1HB CYS 39 0.599 2.997 -2.524
269 H LYS 40 H LYS 40 0.667 -0.120 -4.625
270 HA LYS 40 HA LYS 40 -0.981 1.712 -6.224
271 1HB LYS 40 2HB LYS 40 1.071 0.377 -7.387
272 2HB LYS 40 1HB LYS 40 -0.207 -0.820 -7.550
273 1HG LYS 40 2HG LYS 40 -0.095 0.549 -9.530
274 2HG LYS 40 1HG LYS 40 -1.609 0.852 -8.676
275 1HD LYS 40 2HD LYS 40 0.132 2.702 -7.587
276 2HD LYS 40 1HD LYS 40 0.583 2.665 -9.293
277 1HE LYS 40 2HE LYS 40 -2.308 2.725 -8.768
278 2HE LYS 40 1HE LYS 40 -1.429 4.166 -8.261
279 1HZ LYS 40 1HZ LYS 40 -1.900 3.124 -10.943
280 2HZ LYS 40 2HZ LYS 40 -0.401 3.854 -10.664
281 3HZ LYS 40 3HZ LYS 40 -1.826 4.726 -10.402
282 H CYS 41 H CYS 41 -2.913 0.523 -7.174
283 HA CYS 41 HA CYS 41 -4.024 -1.167 -5.087
284 1HB CYS 41 2HB CYS 41 -5.126 0.521 -7.269
285 2HB CYS 41 1HB CYS 41 -6.087 -0.831 -6.725
286 H ALA 42 H ALA 42 -5.849 -2.662 -6.268
287 HA ALA 42 HA ALA 42 -4.341 -4.385 -8.129
288 1HB ALA 42 1HB ALA 42 -4.978 -5.084 -5.613
289 2HB ALA 42 2HB ALA 42 -4.841 -6.238 -6.940
290 3HB ALA 42 3HB ALA 42 -6.426 -5.633 -6.457
Start of MODEL 11
1 1H ASP 1 1HT ASP 1 -10.971 15.949 -3.732
2 2H ASP 1 2HT ASP 1 -9.471 15.477 -3.045
3 3H ASP 1 3HT ASP 1 -10.234 14.478 -4.213
4 HA ASP 1 HA ASP 1 -10.052 16.412 -5.759
5 1HB ASP 1 2HB ASP 1 -8.558 17.322 -3.354
6 2HB ASP 1 1HB ASP 1 -7.848 17.698 -4.921
7 H ARG 2 H ARG 2 -7.484 14.986 -3.736
8 HA ARG 2 HA ARG 2 -6.622 13.301 -5.899
9 1HB ARG 2 2HB ARG 2 -4.224 14.216 -5.692
10 2HB ARG 2 1HB ARG 2 -5.372 15.118 -6.669
11 1HG ARG 2 2HG ARG 2 -5.570 16.816 -5.094
12 2HG ARG 2 1HG ARG 2 -4.936 15.808 -3.790
13 1HD ARG 2 2HD ARG 2 -3.243 16.528 -6.158
14 2HD ARG 2 1HD ARG 2 -3.418 17.634 -4.796
15 HE ARG 2 HE ARG 2 -2.708 15.042 -3.899
16 1HH1 ARG 2 1HH1 ARG 2 -1.381 17.875 -5.446
17 2HH1 ARG 2 2HH1 ARG 2 0.227 17.587 -4.872
18 1HH2 ARG 2 1HH2 ARG 2 -0.593 14.663 -3.143
19 2HH2 ARG 2 2HH2 ARG 2 0.675 15.764 -3.565
20 H ASP 3 H ASP 3 -6.828 11.537 -4.602
21 HA ASP 3 HA ASP 3 -5.550 11.515 -1.990
22 1HB ASP 3 2HB ASP 3 -6.551 8.965 -2.427
23 2HB ASP 3 1HB ASP 3 -7.348 10.253 -1.537
24 H SER 4 H SER 4 -5.694 8.854 -4.326
25 HA SER 4 HA SER 4 -4.106 7.378 -5.024
26 1HB SER 4 2HB SER 4 -2.525 9.954 -5.113
27 2HB SER 4 1HB SER 4 -1.944 8.429 -5.782
28 HG SER 4 HG SER 4 -4.434 9.547 -6.521
29 H CYS 5 H CYS 5 -3.769 6.011 -3.329
30 HA CYS 5 HA CYS 5 -2.356 6.656 -0.977
31 1HB CYS 5 2HB CYS 5 -3.092 4.039 -2.273
32 2HB CYS 5 1HB CYS 5 -2.178 4.102 -0.771
33 H VAL 6 H VAL 6 -1.262 5.969 -4.135
34 HA VAL 6 HA VAL 6 1.133 4.662 -3.796
35 HB VAL 6 HB VAL 6 0.784 6.985 -5.656
36 1HG1 VAL 6 1HG1 VAL 6 3.000 5.531 -5.208
37 2HG1 VAL 6 2HG1 VAL 6 2.604 6.254 -6.767
38 3HG1 VAL 6 3HG1 VAL 6 2.235 4.556 -6.464
39 1HG2 VAL 6 1HG2 VAL 6 0.255 4.495 -6.935
40 2HG2 VAL 6 2HG2 VAL 6 -0.800 5.899 -6.769
41 3HG2 VAL 6 3HG2 VAL 6 -0.796 4.647 -5.528
42 H ASP 7 H ASP 7 0.435 8.089 -3.324
43 HA ASP 7 HA ASP 7 3.186 8.522 -2.407
44 1HB ASP 7 2HB ASP 7 1.394 10.091 -3.922
45 2HB ASP 7 1HB ASP 7 1.575 10.910 -2.374
46 H LYS 8 H LYS 8 -0.112 8.407 -1.312
47 HA LYS 8 HA LYS 8 0.220 9.748 1.152
48 1HB LYS 8 2HB LYS 8 -1.919 8.800 -0.198
49 2HB LYS 8 1HB LYS 8 -1.750 7.544 1.021
50 1HG LYS 8 2HG LYS 8 -1.684 9.463 2.715
51 2HG LYS 8 1HG LYS 8 -2.304 10.462 1.400
52 1HD LYS 8 2HD LYS 8 -3.689 7.893 1.883
53 2HD LYS 8 1HD LYS 8 -3.890 9.144 3.111
54 1HE LYS 8 2HE LYS 8 -4.176 10.062 0.333
55 2HE LYS 8 1HE LYS 8 -5.410 8.925 0.874
56 1HZ LYS 8 1HZ LYS 8 -4.919 11.663 1.705
57 2HZ LYS 8 2HZ LYS 8 -5.330 10.588 2.945
58 3HZ LYS 8 3HZ LYS 8 -6.371 10.796 1.628
59 H SER 9 H SER 9 -0.195 6.241 0.622
60 HA SER 9 HA SER 9 1.184 5.739 3.145
61 1HB SER 9 2HB SER 9 -1.038 4.617 2.375
62 2HB SER 9 1HB SER 9 0.013 3.592 1.399
63 HG SER 9 HG SER 9 1.176 3.237 3.467
64 H ARG 10 H ARG 10 3.033 4.493 3.335
65 HA ARG 10 HA ARG 10 4.712 4.424 0.968
66 1HB ARG 10 2HB ARG 10 5.526 5.327 3.153
67 2HB ARG 10 1HB ARG 10 5.399 3.704 3.821
68 1HG ARG 10 2HG ARG 10 7.132 2.895 2.482
69 2HG ARG 10 1HG ARG 10 7.061 4.286 1.400
70 1HD ARG 10 2HD ARG 10 7.569 5.475 3.799
71 2HD ARG 10 1HD ARG 10 8.444 3.954 3.965
72 HE ARG 10 HE ARG 10 9.213 4.837 1.531
73 1HH1 ARG 10 1HH1 ARG 10 9.142 6.328 4.686
74 2HH1 ARG 10 2HH1 ARG 10 10.502 7.353 4.369
75 1HH2 ARG 10 1HH2 ARG 10 11.003 6.181 1.115
76 2HH2 ARG 10 2HH2 ARG 10 11.559 7.269 2.341
77 H CYS 11 H CYS 11 6.130 2.484 0.642
78 HA CYS 11 HA CYS 11 4.888 -0.035 1.452
79 1HB CYS 11 2HB CYS 11 4.108 0.882 -0.891
80 2HB CYS 11 1HB CYS 11 5.669 0.268 -1.419
81 H ALA 12 H ALA 12 6.266 -1.932 0.726
82 HA ALA 12 HA ALA 12 9.030 -1.327 1.392
83 1HB ALA 12 1HB ALA 12 8.794 -4.077 1.021
84 2HB ALA 12 2HB ALA 12 7.251 -3.580 1.713
85 3HB ALA 12 3HB ALA 12 8.755 -3.206 2.553
86 H LYS 13 H LYS 13 10.424 -3.335 0.172
87 HA LYS 13 HA LYS 13 11.179 -2.321 -2.248
88 1HB LYS 13 2HB LYS 13 12.155 -4.238 -0.739
89 2HB LYS 13 1HB LYS 13 11.279 -5.276 -1.848
90 1HG LYS 13 2HG LYS 13 12.672 -4.838 -3.584
91 2HG LYS 13 1HG LYS 13 13.020 -3.198 -3.031
92 1HD LYS 13 2HD LYS 13 15.024 -4.365 -2.701
93 2HD LYS 13 1HD LYS 13 14.281 -4.306 -1.103
94 1HE LYS 13 2HE LYS 13 14.325 -6.521 -0.986
95 2HE LYS 13 1HE LYS 13 13.337 -6.632 -2.441
96 1HZ LYS 13 1HZ LYS 13 15.101 -7.153 -3.692
97 2HZ LYS 13 2HZ LYS 13 15.841 -7.567 -2.228
98 3HZ LYS 13 3HZ LYS 13 16.127 -6.051 -2.920
99 H TYR 14 H TYR 14 9.108 -5.211 -1.879
100 HA TYR 14 HA TYR 14 7.231 -4.443 -3.801
101 1HB TYR 14 2HB TYR 14 7.978 -6.293 -5.516
102 2HB TYR 14 1HB TYR 14 8.642 -4.668 -5.609
103 HD1 TYR 14 1HD TYR 14 9.512 -7.538 -3.381
104 HD2 TYR 14 2HD TYR 14 10.798 -4.860 -6.424
105 HE1 TYR 14 1HE TYR 14 11.782 -8.466 -3.228
106 HE2 TYR 14 2HE TYR 14 13.073 -5.780 -6.280
107 HH TYR 14 HH TYR 14 14.100 -8.040 -5.520
108 H GLY 15 H GLY 15 5.742 -6.214 -4.400
109 1HA GLY 15 2HA GLY 15 5.102 -8.548 -4.050
110 2HA GLY 15 1HA GLY 15 5.924 -8.472 -2.500
111 H TYR 16 H TYR 16 4.410 -8.746 -1.004
112 HA TYR 16 HA TYR 16 1.881 -7.267 -1.276
113 1HB TYR 16 2HB TYR 16 1.884 -9.815 -1.032
114 2HB TYR 16 1HB TYR 16 2.391 -9.546 0.632
115 HD1 TYR 16 1HD TYR 16 0.871 -7.850 1.980
116 HD2 TYR 16 2HD TYR 16 -0.375 -9.991 -1.479
117 HE1 TYR 16 1HE TYR 16 -1.477 -7.553 2.648
118 HE2 TYR 16 2HE TYR 16 -2.726 -9.699 -0.821
119 HH TYR 16 HH TYR 16 -3.982 -9.302 1.397
120 H TYR 17 H TYR 17 1.282 -5.787 0.196
121 HA TYR 17 HA TYR 17 2.784 -5.568 2.699
122 1HB TYR 17 2HB TYR 17 3.708 -4.026 0.866
123 2HB TYR 17 1HB TYR 17 2.203 -3.129 1.024
124 HD1 TYR 17 1HD TYR 17 2.969 -1.081 1.883
125 HD2 TYR 17 2HD TYR 17 4.159 -4.710 3.761
126 HE1 TYR 17 1HE TYR 17 3.933 0.205 3.745
127 HE2 TYR 17 2HE TYR 17 5.123 -3.433 5.628
128 HH TYR 17 HH TYR 17 6.083 -0.822 5.772
129 H GLN 18 H GLN 18 1.260 -5.827 4.191
130 HA GLN 18 HA GLN 18 -1.450 -5.590 3.958
131 1HB GLN 18 2HB GLN 18 0.144 -6.341 5.953
132 2HB GLN 18 1HB GLN 18 -0.265 -4.739 6.552
133 1HG GLN 18 2HG GLN 18 -2.105 -5.617 7.408
134 2HG GLN 18 1HG GLN 18 -2.693 -5.837 5.760
135 1HE2 GLN 18 1HE2 GLN 18 -2.856 -7.403 8.377
136 2HE2 GLN 18 2HE2 GLN 18 -2.460 -9.018 7.908
137 H GLU 19 H GLU 19 0.853 -3.013 4.457
138 HA GLU 19 HA GLU 19 -0.990 -1.029 5.284
139 1HB GLU 19 2HB GLU 19 1.786 -1.199 4.856
140 2HB GLU 19 1HB GLU 19 1.218 0.087 3.800
141 1HG GLU 19 2HG GLU 19 0.045 1.052 5.813
142 2HG GLU 19 1HG GLU 19 0.945 -0.113 6.783
143 H CYS 20 H CYS 20 0.318 -1.915 2.110
144 HA CYS 20 HA CYS 20 -1.037 0.117 0.674
145 1HB CYS 20 2HB CYS 20 0.933 -1.662 0.065
146 2HB CYS 20 1HB CYS 20 -0.436 -2.376 -0.779
147 H GLN 21 H GLN 21 -1.724 -3.369 1.034
148 HA GLN 21 HA GLN 21 -4.092 -3.404 -0.432
149 1HB GLN 21 2HB GLN 21 -4.596 -5.497 0.683
150 2HB GLN 21 1HB GLN 21 -2.888 -5.428 0.273
151 1HG GLN 21 2HG GLN 21 -2.323 -5.757 2.364
152 2HG GLN 21 1HG GLN 21 -3.273 -4.374 2.894
153 1HE2 GLN 21 1HE2 GLN 21 -5.775 -4.979 2.652
154 2HE2 GLN 21 2HE2 GLN 21 -6.205 -6.430 3.485
155 H ASP 22 H ASP 22 -3.468 -2.394 2.846
156 HA ASP 22 HA ASP 22 -6.191 -2.381 3.698
157 1HB ASP 22 2HB ASP 22 -3.608 -1.353 4.770
158 2HB ASP 22 1HB ASP 22 -5.092 -0.652 5.406
159 H CYS 23 H CYS 23 -3.990 0.040 2.363
160 HA CYS 23 HA CYS 23 -5.627 2.288 2.637
161 1HB CYS 23 2HB CYS 23 -3.124 1.919 1.786
162 2HB CYS 23 1HB CYS 23 -3.925 2.056 0.233
163 H CYS 24 H CYS 24 -5.084 0.343 -0.292
164 HA CYS 24 HA CYS 24 -7.028 1.490 -1.890
165 1HB CYS 24 2HB CYS 24 -5.198 -0.256 -2.440
166 2HB CYS 24 1HB CYS 24 -6.414 -1.448 -2.003
167 H LYS 25 H LYS 25 -7.334 -1.494 0.043
168 HA LYS 25 HA LYS 25 -9.964 -2.109 -0.425
169 1HB LYS 25 2HB LYS 25 -8.581 -3.579 0.878
170 2HB LYS 25 1HB LYS 25 -8.359 -2.358 2.122
171 1HG LYS 25 2HG LYS 25 -11.113 -3.310 1.507
172 2HG LYS 25 1HG LYS 25 -10.037 -4.331 2.463
173 1HD LYS 25 2HD LYS 25 -10.016 -1.556 3.338
174 2HD LYS 25 1HD LYS 25 -11.621 -2.280 3.420
175 1HE LYS 25 2HE LYS 25 -10.991 -3.159 5.368
176 2HE LYS 25 1HE LYS 25 -9.956 -4.242 4.438
177 1HZ LYS 25 1HZ LYS 25 -8.465 -1.994 4.623
178 2HZ LYS 25 2HZ LYS 25 -8.314 -3.345 5.629
179 3HZ LYS 25 3HZ LYS 25 -9.244 -2.022 6.125
180 H ASN 26 H ASN 26 -8.667 0.225 1.897
181 HA ASN 26 HA ASN 26 -11.164 0.918 3.049
182 1HB ASN 26 2HB ASN 26 -8.516 1.487 3.595
183 2HB ASN 26 1HB ASN 26 -9.150 3.041 3.068
184 1HD2 ASN 26 1HD2 ASN 26 -8.695 1.071 5.662
185 2HD2 ASN 26 2HD2 ASN 26 -9.863 1.745 6.742
186 H ALA 27 H ALA 27 -9.480 1.906 0.175
187 HA ALA 27 HA ALA 27 -10.891 4.341 -0.254
188 1HB ALA 27 1HB ALA 27 -9.672 2.689 -2.443
189 2HB ALA 27 2HB ALA 27 -8.672 3.580 -1.294
190 3HB ALA 27 3HB ALA 27 -9.814 4.442 -2.326
191 H GLY 28 H GLY 28 -11.470 0.982 -1.059
192 1HA GLY 28 2HA GLY 28 -14.055 0.738 -1.182
193 2HA GLY 28 1HA GLY 28 -13.837 1.734 -2.609
194 H HIS 29 H HIS 29 -11.122 0.014 -2.659
195 HA HIS 29 HA HIS 29 -12.280 -1.968 -4.459
196 1HB HIS 29 2HB HIS 29 -9.363 -1.314 -4.037
197 2HB HIS 29 1HB HIS 29 -10.070 -2.211 -5.377
198 HD1 HIS 29 1HD HIS 29 -11.881 -0.669 -6.818
199 HD2 HIS 29 2HD HIS 29 -8.945 1.294 -4.628
200 HE1 HIS 29 1HE HIS 29 -11.741 1.641 -7.800
201 HE2 HIS 29 2HE HIS 29 -9.906 2.787 -6.508
202 H ASN 30 H ASN 30 -9.763 -3.624 -4.130
203 HA ASN 30 HA ASN 30 -10.653 -5.069 -1.731
204 1HB ASN 30 2HB ASN 30 -9.955 -5.920 -4.429
205 2HB ASN 30 1HB ASN 30 -9.068 -6.818 -3.201
206 1HD2 ASN 30 1HD2 ASN 30 -10.349 -7.797 -1.474
207 2HD2 ASN 30 2HD2 ASN 30 -11.926 -8.393 -1.850
208 H GLY 31 H GLY 31 -7.742 -4.160 -3.570
209 1HA GLY 31 2HA GLY 31 -6.256 -3.566 -1.248
210 2HA GLY 31 1HA GLY 31 -5.843 -5.184 -1.797
211 H GLY 32 H GLY 32 -3.699 -4.407 -2.158
212 1HA GLY 32 2HA GLY 32 -3.378 -3.374 -4.847
213 2HA GLY 32 1HA GLY 32 -2.756 -2.333 -3.578
214 H THR 33 H THR 33 -0.951 -3.075 -5.334
215 HA THR 33 HA THR 33 0.526 -5.272 -4.039
216 HB THR 33 HB THR 33 -0.011 -5.979 -6.249
217 HG1 THR 33 1HG THR 33 2.611 -4.922 -6.398
218 1HG2 THR 33 1HG2 THR 33 -0.478 -4.530 -7.848
219 2HG2 THR 33 2HG2 THR 33 1.249 -4.200 -7.990
220 3HG2 THR 33 3HG2 THR 33 0.245 -3.209 -6.931
221 H CYS 34 H CYS 34 2.894 -5.075 -4.155
222 HA CYS 34 HA CYS 34 3.702 -2.280 -3.762
223 1HB CYS 34 2HB CYS 34 3.997 -4.246 -2.018
224 2HB CYS 34 1HB CYS 34 5.433 -4.581 -2.975
225 H MET 35 H MET 35 5.024 -1.320 -5.173
226 HA MET 35 HA MET 35 6.695 -3.003 -6.906
227 1HB MET 35 2HB MET 35 4.687 -0.941 -7.682
228 2HB MET 35 1HB MET 35 6.151 -1.081 -8.645
229 1HG MET 35 2HG MET 35 5.652 -3.478 -8.978
230 2HG MET 35 1HG MET 35 4.138 -3.250 -8.106
231 1HE MET 35 1HE MET 35 6.371 -2.271 -10.868
232 2HE MET 35 2HE MET 35 5.376 -1.513 -12.112
233 3HE MET 35 3HE MET 35 5.408 -3.270 -11.956
234 H PHE 36 H PHE 36 8.588 -2.499 -5.838
235 HA PHE 36 HA PHE 36 10.389 -1.292 -5.150
236 1HB PHE 36 2HB PHE 36 10.712 -1.151 -7.535
237 2HB PHE 36 1HB PHE 36 9.605 0.205 -7.645
238 HD1 PHE 36 1HD PHE 36 12.778 -0.803 -6.028
239 HD2 PHE 36 2HD PHE 36 10.452 2.360 -7.649
240 HE1 PHE 36 1HE PHE 36 14.681 0.732 -5.737
241 HE2 PHE 36 2HE PHE 36 12.345 3.907 -7.364
242 HZ PHE 36 HZ PHE 36 14.465 3.094 -6.407
243 H PHE 37 H PHE 37 8.789 -0.633 -3.344
244 HA PHE 37 HA PHE 37 8.179 0.928 -1.820
245 1HB PHE 37 2HB PHE 37 9.914 2.848 -3.378
246 2HB PHE 37 1HB PHE 37 9.475 2.940 -1.674
247 HD1 PHE 37 1HD PHE 37 9.861 -0.011 -1.066
248 HD2 PHE 37 2HD PHE 37 12.281 2.821 -3.117
249 HE1 PHE 37 1HE PHE 37 11.865 -1.304 -0.470
250 HE2 PHE 37 2HE PHE 37 14.294 1.530 -2.529
251 HZ PHE 37 HZ PHE 37 14.084 -0.541 -1.205
252 H LYS 38 H LYS 38 6.848 0.753 -4.605
253 HA LYS 38 HA LYS 38 5.421 3.326 -4.450
254 1HB LYS 38 2HB LYS 38 5.496 1.430 -6.804
255 2HB LYS 38 1HB LYS 38 4.792 3.039 -6.766
256 1HG LYS 38 2HG LYS 38 7.073 3.950 -6.335
257 2HG LYS 38 1HG LYS 38 7.709 2.326 -6.598
258 1HD LYS 38 2HD LYS 38 7.404 2.429 -8.835
259 2HD LYS 38 1HD LYS 38 5.899 3.341 -8.691
260 1HE LYS 38 2HE LYS 38 6.947 5.340 -8.797
261 2HE LYS 38 1HE LYS 38 8.349 4.772 -7.892
262 1HZ LYS 38 1HZ LYS 38 8.611 3.406 -10.171
263 2HZ LYS 38 2HZ LYS 38 9.338 4.905 -9.886
264 3HZ LYS 38 3HZ LYS 38 7.887 4.820 -10.751
265 H CYS 39 H CYS 39 3.390 3.275 -3.743
266 HA CYS 39 HA CYS 39 2.150 0.696 -3.251
267 1HB CYS 39 2HB CYS 39 2.177 3.150 -1.897
268 2HB CYS 39 1HB CYS 39 0.529 2.967 -2.485
269 H LYS 40 H LYS 40 1.030 -0.183 -4.846
270 HA LYS 40 HA LYS 40 -0.743 1.553 -6.437
271 1HB LYS 40 2HB LYS 40 1.311 0.060 -7.427
272 2HB LYS 40 1HB LYS 40 -0.024 -1.077 -7.566
273 1HG LYS 40 2HG LYS 40 -1.150 1.169 -8.584
274 2HG LYS 40 1HG LYS 40 0.534 1.380 -9.067
275 1HD LYS 40 2HD LYS 40 -0.007 0.082 -10.814
276 2HD LYS 40 1HD LYS 40 0.097 -1.251 -9.663
277 1HE LYS 40 2HE LYS 40 -2.245 -1.255 -9.316
278 2HE LYS 40 1HE LYS 40 -2.440 0.295 -10.134
279 1HZ LYS 40 1HZ LYS 40 -2.937 -0.921 -11.915
280 2HZ LYS 40 2HZ LYS 40 -2.334 -2.350 -11.239
281 3HZ LYS 40 3HZ LYS 40 -1.286 -1.278 -12.022
282 H CYS 41 H CYS 41 -2.691 0.354 -7.308
283 HA CYS 41 HA CYS 41 -3.816 -1.241 -5.141
284 1HB CYS 41 2HB CYS 41 -4.919 0.496 -7.283
285 2HB CYS 41 1HB CYS 41 -5.916 -0.822 -6.717
286 H ALA 42 H ALA 42 -5.749 -2.655 -6.286
287 HA ALA 42 HA ALA 42 -4.265 -4.642 -7.844
288 1HB ALA 42 1HB ALA 42 -7.001 -5.199 -6.835
289 2HB ALA 42 2HB ALA 42 -5.701 -5.043 -5.653
290 3HB ALA 42 3HB ALA 42 -5.591 -6.255 -6.930
Start of MODEL 12
1 1H ASP 1 1HT ASP 1 -10.526 15.834 -2.937
2 2H ASP 1 2HT ASP 1 -10.786 14.387 -2.051
3 3H ASP 1 3HT ASP 1 -12.124 15.308 -2.609
4 HA ASP 1 HA ASP 1 -11.575 13.261 -3.876
5 1HB ASP 1 2HB ASP 1 -12.626 15.707 -4.572
6 2HB ASP 1 1HB ASP 1 -11.394 15.467 -5.808
7 H ARG 2 H ARG 2 -9.017 13.831 -2.768
8 HA ARG 2 HA ARG 2 -7.377 13.225 -5.090
9 1HB ARG 2 2HB ARG 2 -6.889 15.587 -3.280
10 2HB ARG 2 1HB ARG 2 -5.615 14.868 -4.256
11 1HG ARG 2 2HG ARG 2 -7.463 15.234 -6.155
12 2HG ARG 2 1HG ARG 2 -7.905 16.543 -5.059
13 1HD ARG 2 2HD ARG 2 -6.302 17.283 -6.756
14 2HD ARG 2 1HD ARG 2 -5.630 17.397 -5.130
15 HE ARG 2 HE ARG 2 -4.024 15.904 -5.750
16 1HH1 ARG 2 1HH1 ARG 2 -6.701 15.619 -7.969
17 2HH1 ARG 2 2HH1 ARG 2 -5.886 14.497 -9.005
18 1HH2 ARG 2 1HH2 ARG 2 -2.948 14.428 -7.112
19 2HH2 ARG 2 2HH2 ARG 2 -3.755 13.820 -8.520
20 H ASP 3 H ASP 3 -8.100 11.384 -3.313
21 HA ASP 3 HA ASP 3 -6.491 11.129 -1.016
22 1HB ASP 3 2HB ASP 3 -8.519 9.623 -2.304
23 2HB ASP 3 1HB ASP 3 -7.146 8.544 -2.077
24 H SER 4 H SER 4 -6.254 8.935 -3.798
25 HA SER 4 HA SER 4 -4.473 7.884 -4.749
26 1HB SER 4 2HB SER 4 -3.439 10.666 -4.288
27 2HB SER 4 1HB SER 4 -2.387 9.429 -4.975
28 HG SER 4 HG SER 4 -3.368 9.702 -6.800
29 H CYS 5 H CYS 5 -4.270 6.328 -3.084
30 HA CYS 5 HA CYS 5 -2.726 6.714 -0.753
31 1HB CYS 5 2HB CYS 5 -3.692 4.281 -2.227
32 2HB CYS 5 1HB CYS 5 -2.619 4.123 -0.841
33 H VAL 6 H VAL 6 -1.885 5.910 -4.029
34 HA VAL 6 HA VAL 6 0.558 4.671 -3.760
35 HB VAL 6 HB VAL 6 0.028 6.810 -5.791
36 1HG1 VAL 6 1HG1 VAL 6 2.297 6.012 -5.806
37 2HG1 VAL 6 2HG1 VAL 6 1.454 5.374 -7.218
38 3HG1 VAL 6 3HG1 VAL 6 1.744 4.337 -5.822
39 1HG2 VAL 6 1HG2 VAL 6 -0.632 4.476 -7.031
40 2HG2 VAL 6 2HG2 VAL 6 -1.789 5.617 -6.346
41 3HG2 VAL 6 3HG2 VAL 6 -1.271 4.217 -5.407
42 H ASP 7 H ASP 7 -0.178 8.116 -3.555
43 HA ASP 7 HA ASP 7 2.614 8.645 -2.815
44 1HB ASP 7 2HB ASP 7 0.843 10.013 -4.507
45 2HB ASP 7 1HB ASP 7 0.977 11.020 -3.069
46 H LYS 8 H LYS 8 0.507 7.454 -1.071
47 HA LYS 8 HA LYS 8 0.661 9.440 1.094
48 1HB LYS 8 2HB LYS 8 -1.679 8.719 -0.114
49 2HB LYS 8 1HB LYS 8 -1.608 7.567 1.212
50 1HG LYS 8 2HG LYS 8 -2.791 9.346 2.103
51 2HG LYS 8 1HG LYS 8 -1.150 9.615 2.694
52 1HD LYS 8 2HD LYS 8 -1.185 10.934 0.268
53 2HD LYS 8 1HD LYS 8 -2.791 11.247 0.928
54 1HE LYS 8 2HE LYS 8 -0.198 11.706 2.399
55 2HE LYS 8 1HE LYS 8 -1.118 12.958 1.565
56 1HZ LYS 8 1HZ LYS 8 -2.874 12.762 3.082
57 2HZ LYS 8 2HZ LYS 8 -1.481 12.734 4.041
58 3HZ LYS 8 3HZ LYS 8 -2.307 11.296 3.706
59 H SER 9 H SER 9 0.115 5.997 0.366
60 HA SER 9 HA SER 9 1.273 5.290 2.961
61 1HB SER 9 2HB SER 9 -0.935 4.301 1.867
62 2HB SER 9 1HB SER 9 0.218 3.224 1.081
63 HG SER 9 HG SER 9 1.042 2.873 3.301
64 H ARG 10 H ARG 10 3.242 4.419 3.167
65 HA ARG 10 HA ARG 10 4.965 4.276 0.884
66 1HB ARG 10 2HB ARG 10 5.514 5.025 3.303
67 2HB ARG 10 1HB ARG 10 5.685 3.304 3.627
68 1HG ARG 10 2HG ARG 10 7.389 3.137 1.910
69 2HG ARG 10 1HG ARG 10 7.216 4.856 1.553
70 1HD ARG 10 2HD ARG 10 8.270 5.503 3.475
71 2HD ARG 10 1HD ARG 10 7.765 4.066 4.362
72 HE ARG 10 HE ARG 10 9.612 2.932 3.557
73 1HH1 ARG 10 1HH1 ARG 10 9.372 6.065 2.032
74 2HH1 ARG 10 2HH1 ARG 10 10.984 6.017 1.402
75 1HH2 ARG 10 1HH2 ARG 10 11.730 2.875 2.732
76 2HH2 ARG 10 2HH2 ARG 10 12.321 4.206 1.796
77 H CYS 11 H CYS 11 6.179 2.429 0.231
78 HA CYS 11 HA CYS 11 4.983 -0.154 0.967
79 1HB CYS 11 2HB CYS 11 4.981 1.156 -1.608
80 2HB CYS 11 1HB CYS 11 5.850 -0.370 -1.699
81 H ALA 12 H ALA 12 6.396 -2.018 0.330
82 HA ALA 12 HA ALA 12 9.141 -1.414 1.087
83 1HB ALA 12 1HB ALA 12 7.401 -3.790 1.169
84 2HB ALA 12 2HB ALA 12 8.622 -3.236 2.313
85 3HB ALA 12 3HB ALA 12 9.108 -4.099 0.854
86 H LYS 13 H LYS 13 10.771 -3.057 -0.049
87 HA LYS 13 HA LYS 13 11.404 -2.137 -2.515
88 1HB LYS 13 2HB LYS 13 12.869 -3.580 -1.184
89 2HB LYS 13 1HB LYS 13 11.837 -4.959 -1.529
90 1HG LYS 13 2HG LYS 13 12.460 -4.982 -3.803
91 2HG LYS 13 1HG LYS 13 13.202 -3.385 -3.691
92 1HD LYS 13 2HD LYS 13 14.709 -4.560 -1.889
93 2HD LYS 13 1HD LYS 13 14.218 -6.025 -2.740
94 1HE LYS 13 2HE LYS 13 14.926 -4.177 -4.729
95 2HE LYS 13 1HE LYS 13 16.167 -4.047 -3.484
96 1HZ LYS 13 1HZ LYS 13 15.875 -6.710 -3.721
97 2HZ LYS 13 2HZ LYS 13 17.054 -5.799 -4.522
98 3HZ LYS 13 3HZ LYS 13 15.617 -6.206 -5.316
99 H TYR 14 H TYR 14 9.293 -4.910 -1.855
100 HA TYR 14 HA TYR 14 7.573 -4.509 -3.961
101 1HB TYR 14 2HB TYR 14 8.398 -6.522 -5.413
102 2HB TYR 14 1HB TYR 14 9.076 -4.920 -5.665
103 HD1 TYR 14 1HD TYR 14 10.049 -6.928 -2.747
104 HD2 TYR 14 2HD TYR 14 11.061 -5.821 -6.728
105 HE1 TYR 14 1HE TYR 14 12.303 -7.849 -2.423
106 HE2 TYR 14 2HE TYR 14 13.319 -6.740 -6.414
107 HH TYR 14 HH TYR 14 14.151 -8.808 -4.048
108 H GLY 15 H GLY 15 6.117 -6.336 -4.369
109 1HA GLY 15 2HA GLY 15 5.509 -8.635 -3.788
110 2HA GLY 15 1HA GLY 15 6.275 -8.371 -2.231
111 H TYR 16 H TYR 16 4.637 -8.651 -0.839
112 HA TYR 16 HA TYR 16 2.173 -7.105 -1.287
113 1HB TYR 16 2HB TYR 16 2.077 -9.658 -1.068
114 2HB TYR 16 1HB TYR 16 2.460 -9.412 0.632
115 HD1 TYR 16 1HD TYR 16 0.879 -7.964 2.013
116 HD2 TYR 16 2HD TYR 16 -0.128 -9.465 -1.839
117 HE1 TYR 16 1HE TYR 16 -1.504 -7.594 2.498
118 HE2 TYR 16 2HE TYR 16 -2.513 -9.098 -1.365
119 HH TYR 16 HH TYR 16 -3.811 -7.386 0.336
120 H TYR 17 H TYR 17 1.178 -6.082 0.534
121 HA TYR 17 HA TYR 17 2.624 -5.808 3.003
122 1HB TYR 17 2HB TYR 17 3.807 -4.257 1.394
123 2HB TYR 17 1HB TYR 17 2.311 -3.336 1.294
124 HD1 TYR 17 1HD TYR 17 3.194 -1.295 2.155
125 HD2 TYR 17 2HD TYR 17 3.546 -4.885 4.413
126 HE1 TYR 17 1HE TYR 17 3.871 0.015 4.123
127 HE2 TYR 17 2HE TYR 17 4.221 -3.584 6.386
128 HH TYR 17 HH TYR 17 5.391 -1.140 6.668
129 H GLN 18 H GLN 18 0.985 -6.015 4.373
130 HA GLN 18 HA GLN 18 -1.689 -5.668 3.911
131 1HB GLN 18 2HB GLN 18 -0.278 -6.531 6.011
132 2HB GLN 18 1HB GLN 18 -0.725 -4.945 6.626
133 1HG GLN 18 2HG GLN 18 -2.768 -5.638 7.108
134 2HG GLN 18 1HG GLN 18 -3.011 -6.229 5.465
135 1HE2 GLN 18 1HE2 GLN 18 -3.216 -7.158 8.518
136 2HE2 GLN 18 2HE2 GLN 18 -2.802 -8.831 8.386
137 H GLU 19 H GLU 19 0.672 -3.210 4.620
138 HA GLU 19 HA GLU 19 -1.098 -1.164 5.429
139 1HB GLU 19 2HB GLU 19 1.602 -1.410 5.320
140 2HB GLU 19 1HB GLU 19 1.322 -0.353 3.943
141 1HG GLU 19 2HG GLU 19 0.813 1.400 5.233
142 2HG GLU 19 1HG GLU 19 -0.119 0.423 6.368
143 H CYS 20 H CYS 20 0.375 -1.863 2.262
144 HA CYS 20 HA CYS 20 -0.936 0.204 0.870
145 1HB CYS 20 2HB CYS 20 1.093 -1.143 0.120
146 2HB CYS 20 1HB CYS 20 -0.038 -2.408 -0.344
147 H GLN 21 H GLN 21 -1.632 -3.294 0.931
148 HA GLN 21 HA GLN 21 -3.956 -3.244 -0.576
149 1HB GLN 21 2HB GLN 21 -4.500 -5.388 0.414
150 2HB GLN 21 1HB GLN 21 -2.779 -5.303 0.077
151 1HG GLN 21 2HG GLN 21 -2.293 -5.730 2.168
152 2HG GLN 21 1HG GLN 21 -3.273 -4.381 2.730
153 1HE2 GLN 21 1HE2 GLN 21 -5.766 -5.011 2.286
154 2HE2 GLN 21 2HE2 GLN 21 -6.221 -6.493 3.050
155 H ASP 22 H ASP 22 -3.458 -2.431 2.781
156 HA ASP 22 HA ASP 22 -6.188 -2.464 3.564
157 1HB ASP 22 2HB ASP 22 -3.647 -1.409 4.710
158 2HB ASP 22 1HB ASP 22 -5.158 -0.764 5.343
159 H CYS 23 H CYS 23 -4.012 0.082 2.417
160 HA CYS 23 HA CYS 23 -5.723 2.264 2.706
161 1HB CYS 23 2HB CYS 23 -3.189 2.002 1.926
162 2HB CYS 23 1HB CYS 23 -3.939 2.159 0.350
163 H CYS 24 H CYS 24 -5.046 0.417 -0.254
164 HA CYS 24 HA CYS 24 -6.904 1.565 -1.928
165 1HB CYS 24 2HB CYS 24 -5.126 -0.201 -2.447
166 2HB CYS 24 1HB CYS 24 -6.319 -1.392 -1.946
167 H LYS 25 H LYS 25 -7.400 -1.416 -0.028
168 HA LYS 25 HA LYS 25 -10.054 -1.866 -0.614
169 1HB LYS 25 2HB LYS 25 -8.784 -3.502 0.574
170 2HB LYS 25 1HB LYS 25 -8.467 -2.389 1.896
171 1HG LYS 25 2HG LYS 25 -11.168 -2.468 1.954
172 2HG LYS 25 1HG LYS 25 -10.800 -4.090 1.368
173 1HD LYS 25 2HD LYS 25 -10.206 -4.728 3.409
174 2HD LYS 25 1HD LYS 25 -9.008 -3.439 3.495
175 1HE LYS 25 2HE LYS 25 -11.777 -2.554 3.876
176 2HE LYS 25 1HE LYS 25 -11.187 -3.659 5.117
177 1HZ LYS 25 1HZ LYS 25 -9.634 -1.283 4.281
178 2HZ LYS 25 2HZ LYS 25 -9.471 -2.202 5.691
179 3HZ LYS 25 3HZ LYS 25 -10.814 -1.195 5.491
180 H ASN 26 H ASN 26 -8.686 0.236 1.893
181 HA ASN 26 HA ASN 26 -11.162 0.941 3.070
182 1HB ASN 26 2HB ASN 26 -8.495 1.369 3.656
183 2HB ASN 26 1HB ASN 26 -9.082 2.981 3.269
184 1HD2 ASN 26 1HD2 ASN 26 -8.628 0.861 5.707
185 2HD2 ASN 26 2HD2 ASN 26 -9.803 1.441 6.832
186 H ALA 27 H ALA 27 -9.477 2.057 0.258
187 HA ALA 27 HA ALA 27 -10.827 4.576 0.058
188 1HB ALA 27 1HB ALA 27 -9.732 3.366 -2.398
189 2HB ALA 27 2HB ALA 27 -8.588 3.599 -1.076
190 3HB ALA 27 3HB ALA 27 -9.489 4.975 -1.715
191 H GLY 28 H GLY 28 -11.351 1.331 -1.149
192 1HA GLY 28 2HA GLY 28 -13.910 1.033 -1.365
193 2HA GLY 28 1HA GLY 28 -13.713 2.240 -2.623
194 H HIS 29 H HIS 29 -11.431 -0.349 -1.927
195 HA HIS 29 HA HIS 29 -12.304 -1.767 -4.335
196 1HB HIS 29 2HB HIS 29 -9.405 -1.102 -3.805
197 2HB HIS 29 1HB HIS 29 -10.078 -1.870 -5.238
198 HD1 HIS 29 1HD HIS 29 -12.148 -0.104 -6.258
199 HD2 HIS 29 2HD HIS 29 -8.763 1.444 -4.413
200 HE1 HIS 29 1HE HIS 29 -11.958 2.265 -7.080
201 HE2 HIS 29 2HE HIS 29 -9.843 3.145 -6.034
202 H ASN 30 H ASN 30 -9.873 -3.467 -4.203
203 HA ASN 30 HA ASN 30 -10.689 -5.087 -1.892
204 1HB ASN 30 2HB ASN 30 -9.579 -5.789 -4.594
205 2HB ASN 30 1HB ASN 30 -9.440 -6.919 -3.250
206 1HD2 ASN 30 1HD2 ASN 30 -11.920 -4.797 -4.651
207 2HD2 ASN 30 2HD2 ASN 30 -13.182 -5.977 -4.629
208 H GLY 31 H GLY 31 -7.791 -4.159 -3.757
209 1HA GLY 31 2HA GLY 31 -6.237 -3.608 -1.481
210 2HA GLY 31 1HA GLY 31 -5.911 -5.258 -1.985
211 H GLY 32 H GLY 32 -3.768 -4.771 -2.506
212 1HA GLY 32 2HA GLY 32 -3.384 -3.889 -5.196
213 2HA GLY 32 1HA GLY 32 -2.806 -2.699 -4.039
214 H THR 33 H THR 33 -0.686 -3.028 -4.904
215 HA THR 33 HA THR 33 0.707 -5.182 -3.543
216 HB THR 33 HB THR 33 0.198 -6.211 -5.683
217 HG1 THR 33 1HG THR 33 2.261 -6.626 -4.846
218 1HG2 THR 33 1HG2 THR 33 1.027 -3.610 -6.769
219 2HG2 THR 33 2HG2 THR 33 -0.129 -4.791 -7.387
220 3HG2 THR 33 3HG2 THR 33 1.599 -5.030 -7.646
221 H CYS 34 H CYS 34 2.971 -4.820 -3.332
222 HA CYS 34 HA CYS 34 3.672 -2.011 -3.443
223 1HB CYS 34 2HB CYS 34 4.691 -4.435 -2.023
224 2HB CYS 34 1HB CYS 34 5.752 -3.058 -2.223
225 H MET 35 H MET 35 4.777 -1.225 -5.107
226 HA MET 35 HA MET 35 6.622 -3.011 -6.549
227 1HB MET 35 2HB MET 35 4.618 -1.036 -7.572
228 2HB MET 35 1HB MET 35 6.078 -1.344 -8.504
229 1HG MET 35 2HG MET 35 5.295 -3.868 -8.046
230 2HG MET 35 1HG MET 35 3.730 -3.058 -8.033
231 1HE MET 35 1HE MET 35 2.917 -4.453 -9.846
232 2HE MET 35 2HE MET 35 4.345 -5.303 -10.438
233 3HE MET 35 3HE MET 35 3.365 -4.344 -11.548
234 H PHE 36 H PHE 36 8.601 -2.412 -5.918
235 HA PHE 36 HA PHE 36 10.398 -1.134 -5.351
236 1HB PHE 36 2HB PHE 36 10.439 -0.848 -7.749
237 2HB PHE 36 1HB PHE 36 9.262 0.451 -7.649
238 HD1 PHE 36 1HD PHE 36 12.322 -0.205 -5.673
239 HD2 PHE 36 2HD PHE 36 10.319 2.376 -8.387
240 HE1 PHE 36 1HE PHE 36 14.164 1.418 -5.474
241 HE2 PHE 36 2HE PHE 36 12.152 4.007 -8.200
242 HZ PHE 36 HZ PHE 36 14.079 3.529 -6.741
243 H PHE 37 H PHE 37 8.917 -0.674 -3.367
244 HA PHE 37 HA PHE 37 8.351 0.752 -1.703
245 1HB PHE 37 2HB PHE 37 10.214 2.482 -3.311
246 2HB PHE 37 1HB PHE 37 9.456 3.068 -1.832
247 HD1 PHE 37 1HD PHE 37 11.049 -0.157 -2.844
248 HD2 PHE 37 2HD PHE 37 10.930 3.073 -0.076
249 HE1 PHE 37 1HE PHE 37 12.812 -1.238 -1.514
250 HE2 PHE 37 2HE PHE 37 12.694 1.996 1.258
251 HZ PHE 37 HZ PHE 37 13.635 -0.165 0.539
252 H LYS 38 H LYS 38 6.748 0.667 -4.275
253 HA LYS 38 HA LYS 38 5.311 3.213 -3.883
254 1HB LYS 38 2HB LYS 38 5.283 1.499 -6.374
255 2HB LYS 38 1HB LYS 38 4.520 3.068 -6.166
256 1HG LYS 38 2HG LYS 38 7.045 3.738 -5.590
257 2HG LYS 38 1HG LYS 38 7.343 2.385 -6.682
258 1HD LYS 38 2HD LYS 38 6.947 3.718 -8.416
259 2HD LYS 38 1HD LYS 38 5.297 3.957 -7.840
260 1HE LYS 38 2HE LYS 38 6.696 5.626 -6.205
261 2HE LYS 38 1HE LYS 38 7.627 5.735 -7.698
262 1HZ LYS 38 1HZ LYS 38 6.094 7.304 -8.152
263 2HZ LYS 38 2HZ LYS 38 4.921 6.641 -7.128
264 3HZ LYS 38 3HZ LYS 38 5.176 5.976 -8.663
265 H CYS 39 H CYS 39 3.059 3.147 -3.721
266 HA CYS 39 HA CYS 39 1.984 0.483 -3.089
267 1HB CYS 39 2HB CYS 39 1.986 2.034 -1.202
268 2HB CYS 39 1HB CYS 39 1.080 3.211 -2.146
269 H LYS 40 H LYS 40 1.135 -0.228 -4.986
270 HA LYS 40 HA LYS 40 -0.778 1.535 -6.364
271 1HB LYS 40 2HB LYS 40 1.261 0.348 -7.536
272 2HB LYS 40 1HB LYS 40 0.188 -1.044 -7.537
273 1HG LYS 40 2HG LYS 40 0.056 0.167 -9.637
274 2HG LYS 40 1HG LYS 40 -1.482 0.231 -8.774
275 1HD LYS 40 2HD LYS 40 -1.382 2.462 -8.516
276 2HD LYS 40 1HD LYS 40 0.345 2.439 -8.156
277 1HE LYS 40 2HE LYS 40 0.928 2.816 -10.300
278 2HE LYS 40 1HE LYS 40 -0.363 1.798 -10.937
279 1HZ LYS 40 1HZ LYS 40 -0.371 4.409 -11.207
280 2HZ LYS 40 2HZ LYS 40 -1.139 4.328 -9.703
281 3HZ LYS 40 3HZ LYS 40 -1.804 3.525 -11.035
282 H CYS 41 H CYS 41 -2.743 0.465 -7.239
283 HA CYS 41 HA CYS 41 -3.863 -1.296 -5.218
284 1HB CYS 41 2HB CYS 41 -4.955 0.508 -7.324
285 2HB CYS 41 1HB CYS 41 -5.951 -0.814 -6.761
286 H ALA 42 H ALA 42 -5.763 -2.676 -6.468
287 HA ALA 42 HA ALA 42 -4.264 -4.419 -8.314
288 1HB ALA 42 1HB ALA 42 -5.265 -5.131 -5.921
289 2HB ALA 42 2HB ALA 42 -5.078 -6.249 -7.272
290 3HB ALA 42 3HB ALA 42 -6.645 -5.504 -6.953
Start of MODEL 13
1 1H ASP 1 1HT ASP 1 -11.126 17.003 -5.175
2 2H ASP 1 2HT ASP 1 -11.178 15.302 -4.951
3 3H ASP 1 3HT ASP 1 -10.321 15.968 -6.280
4 HA ASP 1 HA ASP 1 -8.939 17.155 -4.588
5 1HB ASP 1 2HB ASP 1 -10.380 15.101 -2.902
6 2HB ASP 1 1HB ASP 1 -8.875 15.868 -2.403
7 H ARG 2 H ARG 2 -9.826 13.751 -5.039
8 HA ARG 2 HA ARG 2 -8.638 11.945 -5.735
9 1HB ARG 2 2HB ARG 2 -7.958 13.388 -7.594
10 2HB ARG 2 1HB ARG 2 -6.628 14.019 -6.633
11 1HG ARG 2 2HG ARG 2 -5.655 12.434 -8.044
12 2HG ARG 2 1HG ARG 2 -5.804 11.617 -6.487
13 1HD ARG 2 2HD ARG 2 -8.119 11.324 -8.273
14 2HD ARG 2 1HD ARG 2 -6.630 10.583 -8.858
15 HE ARG 2 HE ARG 2 -7.147 9.918 -6.136
16 1HH1 ARG 2 1HH1 ARG 2 -8.045 9.139 -9.418
17 2HH1 ARG 2 2HH1 ARG 2 -8.524 7.520 -9.036
18 1HH2 ARG 2 1HH2 ARG 2 -7.777 7.789 -5.631
19 2HH2 ARG 2 2HH2 ARG 2 -8.373 6.753 -6.885
20 H ASP 3 H ASP 3 -8.022 10.748 -4.079
21 HA ASP 3 HA ASP 3 -6.012 11.689 -2.214
22 1HB ASP 3 2HB ASP 3 -6.623 9.069 -1.508
23 2HB ASP 3 1HB ASP 3 -7.318 10.525 -0.811
24 H SER 4 H SER 4 -6.403 8.444 -3.609
25 HA SER 4 HA SER 4 -4.902 6.973 -4.482
26 1HB SER 4 2HB SER 4 -4.554 9.252 -5.908
27 2HB SER 4 1HB SER 4 -2.930 9.041 -5.252
28 HG SER 4 HG SER 4 -4.108 7.727 -7.262
29 H CYS 5 H CYS 5 -4.065 5.853 -2.815
30 HA CYS 5 HA CYS 5 -2.351 6.926 -0.844
31 1HB CYS 5 2HB CYS 5 -3.794 4.638 -1.061
32 2HB CYS 5 1HB CYS 5 -2.171 4.023 -1.356
33 H VAL 6 H VAL 6 -1.746 5.952 -4.050
34 HA VAL 6 HA VAL 6 0.744 4.842 -4.081
35 HB VAL 6 HB VAL 6 -0.037 7.065 -5.933
36 1HG1 VAL 6 1HG1 VAL 6 1.213 5.282 -7.475
37 2HG1 VAL 6 2HG1 VAL 6 2.007 4.932 -5.939
38 3HG1 VAL 6 3HG1 VAL 6 2.066 6.562 -6.611
39 1HG2 VAL 6 1HG2 VAL 6 -1.911 5.746 -6.120
40 2HG2 VAL 6 2HG2 VAL 6 -1.034 4.265 -5.736
41 3HG2 VAL 6 3HG2 VAL 6 -0.857 5.007 -7.326
42 H ASP 7 H ASP 7 -0.088 8.134 -3.283
43 HA ASP 7 HA ASP 7 2.757 8.664 -2.729
44 1HB ASP 7 2HB ASP 7 1.295 9.975 -4.637
45 2HB ASP 7 1HB ASP 7 1.082 11.029 -3.241
46 H LYS 8 H LYS 8 0.818 7.563 -0.930
47 HA LYS 8 HA LYS 8 0.731 9.732 1.058
48 1HB LYS 8 2HB LYS 8 -1.524 8.941 -0.015
49 2HB LYS 8 1HB LYS 8 -1.333 7.562 1.059
50 1HG LYS 8 2HG LYS 8 -2.624 8.975 2.326
51 2HG LYS 8 1HG LYS 8 -1.000 9.372 2.893
52 1HD LYS 8 2HD LYS 8 -1.793 11.481 2.528
53 2HD LYS 8 1HD LYS 8 -1.143 11.138 0.924
54 1HE LYS 8 2HE LYS 8 -3.162 11.269 -0.008
55 2HE LYS 8 1HE LYS 8 -3.857 10.176 1.188
56 1HZ LYS 8 1HZ LYS 8 -3.296 12.874 2.107
57 2HZ LYS 8 2HZ LYS 8 -4.623 11.875 2.425
58 3HZ LYS 8 3HZ LYS 8 -4.540 12.731 0.968
59 H SER 9 H SER 9 0.317 6.194 0.805
60 HA SER 9 HA SER 9 1.719 5.894 3.355
61 1HB SER 9 2HB SER 9 -0.522 4.738 2.791
62 2HB SER 9 1HB SER 9 0.448 3.651 1.799
63 HG SER 9 HG SER 9 0.335 3.921 4.568
64 H ARG 10 H ARG 10 3.474 4.452 3.605
65 HA ARG 10 HA ARG 10 5.204 4.349 1.286
66 1HB ARG 10 2HB ARG 10 6.032 5.094 3.508
67 2HB ARG 10 1HB ARG 10 5.735 3.475 4.130
68 1HG ARG 10 2HG ARG 10 7.445 2.541 2.856
69 2HG ARG 10 1HG ARG 10 7.517 3.929 1.770
70 1HD ARG 10 2HD ARG 10 8.102 5.168 4.057
71 2HD ARG 10 1HD ARG 10 8.690 3.557 4.467
72 HE ARG 10 HE ARG 10 10.417 3.842 2.987
73 1HH1 ARG 10 1HH1 ARG 10 8.022 6.318 2.434
74 2HH1 ARG 10 2HH1 ARG 10 9.018 7.210 1.333
75 1HH2 ARG 10 1HH2 ARG 10 11.727 5.012 1.539
76 2HH2 ARG 10 2HH2 ARG 10 11.122 6.468 0.825
77 H CYS 11 H CYS 11 6.490 2.351 0.881
78 HA CYS 11 HA CYS 11 5.087 -0.130 1.531
79 1HB CYS 11 2HB CYS 11 4.425 0.958 -0.780
80 2HB CYS 11 1HB CYS 11 5.959 0.278 -1.301
81 H ALA 12 H ALA 12 6.400 -2.052 0.612
82 HA ALA 12 HA ALA 12 9.150 -1.668 1.465
83 1HB ALA 12 1HB ALA 12 8.652 -3.628 2.418
84 2HB ALA 12 2HB ALA 12 8.885 -4.329 0.817
85 3HB ALA 12 3HB ALA 12 7.265 -3.887 1.357
86 H LYS 13 H LYS 13 10.576 -3.500 0.115
87 HA LYS 13 HA LYS 13 11.311 -2.228 -2.233
88 1HB LYS 13 2HB LYS 13 12.492 -4.076 -0.781
89 2HB LYS 13 1HB LYS 13 11.767 -5.163 -1.955
90 1HG LYS 13 2HG LYS 13 12.926 -4.090 -3.758
91 2HG LYS 13 1HG LYS 13 13.537 -2.840 -2.672
92 1HD LYS 13 2HD LYS 13 14.718 -4.636 -1.397
93 2HD LYS 13 1HD LYS 13 14.224 -5.776 -2.649
94 1HE LYS 13 2HE LYS 13 16.385 -5.149 -3.275
95 2HE LYS 13 1HE LYS 13 15.340 -4.162 -4.295
96 1HZ LYS 13 1HZ LYS 13 15.606 -2.389 -2.540
97 2HZ LYS 13 2HZ LYS 13 16.980 -2.726 -3.468
98 3HZ LYS 13 3HZ LYS 13 16.856 -3.329 -1.893
99 H TYR 14 H TYR 14 9.123 -4.980 -1.794
100 HA TYR 14 HA TYR 14 7.461 -4.417 -3.905
101 1HB TYR 14 2HB TYR 14 8.320 -6.359 -5.467
102 2HB TYR 14 1HB TYR 14 8.963 -4.730 -5.623
103 HD1 TYR 14 1HD TYR 14 9.703 -7.621 -3.363
104 HD2 TYR 14 2HD TYR 14 11.210 -4.755 -6.123
105 HE1 TYR 14 1HE TYR 14 11.976 -8.498 -3.023
106 HE2 TYR 14 2HE TYR 14 13.486 -5.624 -5.791
107 HH TYR 14 HH TYR 14 14.218 -8.462 -4.616
108 H GLY 15 H GLY 15 5.965 -6.155 -4.433
109 1HA GLY 15 2HA GLY 15 5.343 -8.504 -4.045
110 2HA GLY 15 1HA GLY 15 6.075 -8.354 -2.456
111 H TYR 16 H TYR 16 4.450 -8.627 -1.064
112 HA TYR 16 HA TYR 16 1.987 -7.073 -1.489
113 1HB TYR 16 2HB TYR 16 1.836 -9.606 -1.420
114 2HB TYR 16 1HB TYR 16 2.277 -9.499 0.280
115 HD1 TYR 16 1HD TYR 16 0.781 -7.791 1.674
116 HD2 TYR 16 2HD TYR 16 -0.411 -9.679 -1.948
117 HE1 TYR 16 1HE TYR 16 -1.578 -7.431 2.269
118 HE2 TYR 16 2HE TYR 16 -2.772 -9.323 -1.364
119 HH TYR 16 HH TYR 16 -4.092 -7.736 0.084
120 H TYR 17 H TYR 17 1.570 -5.471 -0.126
121 HA TYR 17 HA TYR 17 2.876 -5.493 2.514
122 1HB TYR 17 2HB TYR 17 3.775 -3.810 0.797
123 2HB TYR 17 1HB TYR 17 2.240 -2.973 0.986
124 HD1 TYR 17 1HD TYR 17 2.894 -0.964 2.006
125 HD2 TYR 17 2HD TYR 17 4.236 -4.661 3.630
126 HE1 TYR 17 1HE TYR 17 3.787 0.227 3.965
127 HE2 TYR 17 2HE TYR 17 5.130 -3.480 5.592
128 HH TYR 17 HH TYR 17 4.403 -0.197 6.253
129 H GLN 18 H GLN 18 1.348 -5.891 3.962
130 HA GLN 18 HA GLN 18 -1.354 -5.781 3.738
131 1HB GLN 18 2HB GLN 18 0.087 -6.631 5.681
132 2HB GLN 18 1HB GLN 18 -0.004 -4.992 6.308
133 1HG GLN 18 2HG GLN 18 -1.884 -5.574 7.313
134 2HG GLN 18 1HG GLN 18 -2.633 -5.656 5.719
135 1HE2 GLN 18 1HE2 GLN 18 -2.791 -7.233 8.352
136 2HE2 GLN 18 2HE2 GLN 18 -2.736 -8.878 7.832
137 H GLU 19 H GLU 19 0.747 -3.095 4.688
138 HA GLU 19 HA GLU 19 -1.240 -1.265 5.399
139 1HB GLU 19 2HB GLU 19 1.476 -1.218 5.350
140 2HB GLU 19 1HB GLU 19 1.108 -0.151 4.000
141 1HG GLU 19 2HG GLU 19 -0.192 1.284 5.421
142 2HG GLU 19 1HG GLU 19 -0.006 0.172 6.775
143 H CYS 20 H CYS 20 0.191 -1.993 2.249
144 HA CYS 20 HA CYS 20 -1.105 0.062 0.814
145 1HB CYS 20 2HB CYS 20 0.831 -1.751 0.216
146 2HB CYS 20 1HB CYS 20 -0.541 -2.437 -0.648
147 H GLN 21 H GLN 21 -1.881 -3.421 1.035
148 HA GLN 21 HA GLN 21 -4.232 -3.334 -0.448
149 1HB GLN 21 2HB GLN 21 -4.771 -5.470 0.487
150 2HB GLN 21 1HB GLN 21 -3.031 -5.402 0.259
151 1HG GLN 21 2HG GLN 21 -2.638 -5.726 2.405
152 2HG GLN 21 1HG GLN 21 -3.803 -4.503 2.895
153 1HE2 GLN 21 1HE2 GLN 21 -6.137 -5.507 1.944
154 2HE2 GLN 21 2HE2 GLN 21 -6.512 -6.997 2.734
155 H ASP 22 H ASP 22 -3.626 -2.429 2.856
156 HA ASP 22 HA ASP 22 -6.337 -2.413 3.721
157 1HB ASP 22 2HB ASP 22 -4.043 -2.307 5.063
158 2HB ASP 22 1HB ASP 22 -4.339 -0.574 4.954
159 H CYS 23 H CYS 23 -4.152 0.079 2.462
160 HA CYS 23 HA CYS 23 -5.880 2.267 2.736
161 1HB CYS 23 2HB CYS 23 -3.324 1.996 1.986
162 2HB CYS 23 1HB CYS 23 -4.067 2.182 0.408
163 H CYS 24 H CYS 24 -5.154 0.351 -0.167
164 HA CYS 24 HA CYS 24 -6.967 1.475 -1.907
165 1HB CYS 24 2HB CYS 24 -5.182 -0.304 -2.349
166 2HB CYS 24 1HB CYS 24 -6.395 -1.481 -1.862
167 H LYS 25 H LYS 25 -7.534 -1.491 0.015
168 HA LYS 25 HA LYS 25 -10.185 -1.887 -0.646
169 1HB LYS 25 2HB LYS 25 -10.371 -3.244 1.315
170 2HB LYS 25 1HB LYS 25 -8.742 -3.438 0.688
171 1HG LYS 25 2HG LYS 25 -7.826 -2.078 2.398
172 2HG LYS 25 1HG LYS 25 -9.424 -1.547 2.922
173 1HD LYS 25 2HD LYS 25 -9.138 -4.444 2.946
174 2HD LYS 25 1HD LYS 25 -7.964 -3.637 3.988
175 1HE LYS 25 2HE LYS 25 -10.907 -3.017 4.053
176 2HE LYS 25 1HE LYS 25 -10.172 -4.266 5.057
177 1HZ LYS 25 1HZ LYS 25 -9.155 -1.492 5.068
178 2HZ LYS 25 2HZ LYS 25 -8.942 -2.699 6.233
179 3HZ LYS 25 3HZ LYS 25 -10.450 -1.956 6.053
180 H ASN 26 H ASN 26 -8.804 0.324 1.712
181 HA ASN 26 HA ASN 26 -11.278 1.056 2.919
182 1HB ASN 26 2HB ASN 26 -8.594 1.515 3.454
183 2HB ASN 26 1HB ASN 26 -9.205 3.107 3.018
184 1HD2 ASN 26 1HD2 ASN 26 -9.022 0.721 5.409
185 2HD2 ASN 26 2HD2 ASN 26 -10.054 1.467 6.577
186 H ALA 27 H ALA 27 -9.595 2.019 0.050
187 HA ALA 27 HA ALA 27 -10.973 4.518 -0.280
188 1HB ALA 27 1HB ALA 27 -9.795 3.220 -2.651
189 2HB ALA 27 2HB ALA 27 -8.688 3.540 -1.316
190 3HB ALA 27 3HB ALA 27 -9.602 4.863 -2.041
191 H GLY 28 H GLY 28 -11.441 1.205 -1.289
192 1HA GLY 28 2HA GLY 28 -13.969 0.839 -1.568
193 2HA GLY 28 1HA GLY 28 -13.778 2.003 -2.868
194 H HIS 29 H HIS 29 -11.480 -0.535 -2.021
195 HA HIS 29 HA HIS 29 -12.269 -2.035 -4.406
196 1HB HIS 29 2HB HIS 29 -9.397 -1.303 -3.821
197 2HB HIS 29 1HB HIS 29 -10.010 -2.150 -5.236
198 HD1 HIS 29 1HD HIS 29 -12.036 -0.502 -6.454
199 HD2 HIS 29 2HD HIS 29 -8.830 1.249 -4.475
200 HE1 HIS 29 1HE HIS 29 -11.880 1.837 -7.365
201 HE2 HIS 29 2HE HIS 29 -9.872 2.843 -6.224
202 H ASN 30 H ASN 30 -9.838 -3.709 -4.165
203 HA ASN 30 HA ASN 30 -10.706 -5.281 -1.844
204 1HB ASN 30 2HB ASN 30 -9.637 -5.968 -4.529
205 2HB ASN 30 1HB ASN 30 -9.178 -7.021 -3.194
206 1HD2 ASN 30 1HD2 ASN 30 -10.350 -8.763 -3.888
207 2HD2 ASN 30 2HD2 ASN 30 -12.076 -8.802 -3.886
208 H GLY 31 H GLY 31 -7.698 -4.516 -3.619
209 1HA GLY 31 2HA GLY 31 -6.312 -3.896 -1.192
210 2HA GLY 31 1HA GLY 31 -5.848 -5.465 -1.836
211 H GLY 32 H GLY 32 -3.713 -4.518 -2.029
212 1HA GLY 32 2HA GLY 32 -3.378 -3.304 -4.657
213 2HA GLY 32 1HA GLY 32 -2.774 -2.377 -3.293
214 H THR 33 H THR 33 -0.956 -2.960 -5.106
215 HA THR 33 HA THR 33 0.543 -5.228 -3.969
216 HB THR 33 HB THR 33 -0.121 -5.692 -6.273
217 HG1 THR 33 1HG THR 33 1.943 -6.396 -5.597
218 1HG2 THR 33 1HG2 THR 33 1.621 -3.652 -7.459
219 2HG2 THR 33 2HG2 THR 33 0.095 -3.061 -6.799
220 3HG2 THR 33 3HG2 THR 33 0.094 -4.323 -8.031
221 H CYS 34 H CYS 34 2.973 -4.974 -4.435
222 HA CYS 34 HA CYS 34 3.750 -2.191 -3.850
223 1HB CYS 34 2HB CYS 34 4.006 -4.092 -2.063
224 2HB CYS 34 1HB CYS 34 5.417 -4.532 -3.016
225 H MET 35 H MET 35 4.994 -1.251 -5.320
226 HA MET 35 HA MET 35 6.699 -2.943 -7.023
227 1HB MET 35 2HB MET 35 4.767 -0.792 -7.773
228 2HB MET 35 1HB MET 35 6.221 -1.000 -8.742
229 1HG MET 35 2HG MET 35 5.615 -3.330 -9.154
230 2HG MET 35 1HG MET 35 4.158 -3.120 -8.185
231 1HE MET 35 1HE MET 35 5.235 -0.636 -11.745
232 2HE MET 35 2HE MET 35 5.332 -2.327 -12.234
233 3HE MET 35 3HE MET 35 6.270 -1.754 -10.854
234 H PHE 36 H PHE 36 8.547 -2.472 -5.786
235 HA PHE 36 HA PHE 36 10.371 -1.304 -5.097
236 1HB PHE 36 2HB PHE 36 10.733 -1.157 -7.479
237 2HB PHE 36 1HB PHE 36 9.658 0.223 -7.593
238 HD1 PHE 36 1HD PHE 36 12.773 -0.862 -5.917
239 HD2 PHE 36 2HD PHE 36 10.559 2.356 -7.583
240 HE1 PHE 36 1HE PHE 36 14.706 0.627 -5.582
241 HE2 PHE 36 2HE PHE 36 12.482 3.858 -7.256
242 HZ PHE 36 HZ PHE 36 14.560 2.993 -6.253
243 H PHE 37 H PHE 37 8.607 -0.647 -3.382
244 HA PHE 37 HA PHE 37 8.097 0.902 -1.808
245 1HB PHE 37 2HB PHE 37 9.646 2.925 -3.423
246 2HB PHE 37 1HB PHE 37 9.288 2.966 -1.700
247 HD1 PHE 37 1HD PHE 37 9.916 0.080 -1.085
248 HD2 PHE 37 2HD PHE 37 12.003 3.012 -3.355
249 HE1 PHE 37 1HE PHE 37 12.036 -1.071 -0.612
250 HE2 PHE 37 2HE PHE 37 14.129 1.862 -2.889
251 HZ PHE 37 HZ PHE 37 14.145 -0.186 -1.516
252 H LYS 38 H LYS 38 6.842 0.819 -4.767
253 HA LYS 38 HA LYS 38 5.267 3.279 -4.478
254 1HB LYS 38 2HB LYS 38 5.721 1.407 -6.785
255 2HB LYS 38 1HB LYS 38 4.360 2.515 -6.777
256 1HG LYS 38 2HG LYS 38 6.941 3.753 -6.152
257 2HG LYS 38 1HG LYS 38 6.813 3.082 -7.779
258 1HD LYS 38 2HD LYS 38 5.032 4.479 -8.345
259 2HD LYS 38 1HD LYS 38 4.645 4.823 -6.657
260 1HE LYS 38 2HE LYS 38 7.082 5.845 -6.679
261 2HE LYS 38 1HE LYS 38 6.754 5.986 -8.406
262 1HZ LYS 38 1HZ LYS 38 5.007 7.437 -8.038
263 2HZ LYS 38 2HZ LYS 38 6.133 7.928 -6.876
264 3HZ LYS 38 3HZ LYS 38 4.809 6.978 -6.422
265 H CYS 39 H CYS 39 3.279 3.207 -3.685
266 HA CYS 39 HA CYS 39 2.089 0.617 -3.112
267 1HB CYS 39 2HB CYS 39 2.191 3.032 -1.733
268 2HB CYS 39 1HB CYS 39 0.523 2.924 -2.285
269 H LYS 40 H LYS 40 1.155 -0.186 -4.920
270 HA LYS 40 HA LYS 40 -0.771 1.526 -6.340
271 1HB LYS 40 2HB LYS 40 1.254 0.054 -7.400
272 2HB LYS 40 1HB LYS 40 -0.068 -1.101 -7.496
273 1HG LYS 40 2HG LYS 40 0.209 0.228 -9.548
274 2HG LYS 40 1HG LYS 40 -1.380 0.431 -8.808
275 1HD LYS 40 2HD LYS 40 0.371 2.392 -7.717
276 2HD LYS 40 1HD LYS 40 0.534 2.424 -9.473
277 1HE LYS 40 2HE LYS 40 -2.182 2.224 -9.116
278 2HE LYS 40 1HE LYS 40 -1.690 3.260 -7.777
279 1HZ LYS 40 1HZ LYS 40 -1.870 4.854 -9.329
280 2HZ LYS 40 2HZ LYS 40 -1.681 3.789 -10.629
281 3HZ LYS 40 3HZ LYS 40 -0.323 4.347 -9.788
282 H CYS 41 H CYS 41 -2.661 0.164 -7.294
283 HA CYS 41 HA CYS 41 -3.790 -1.354 -5.066
284 1HB CYS 41 2HB CYS 41 -4.904 0.338 -7.235
285 2HB CYS 41 1HB CYS 41 -5.890 -0.985 -6.661
286 H ALA 42 H ALA 42 -5.713 -2.804 -6.204
287 HA ALA 42 HA ALA 42 -4.278 -4.625 -8.029
288 1HB ALA 42 1HB ALA 42 -4.871 -5.281 -5.531
289 2HB ALA 42 2HB ALA 42 -4.949 -6.454 -6.847
290 3HB ALA 42 3HB ALA 42 -6.424 -5.679 -6.267
Start of MODEL 14
1 1H ASP 1 1HT ASP 1 -12.158 14.844 -3.678
2 2H ASP 1 2HT ASP 1 -10.970 13.610 -3.572
3 3H ASP 1 3HT ASP 1 -12.166 13.549 -4.801
4 HA ASP 1 HA ASP 1 -11.287 15.374 -5.899
5 1HB ASP 1 2HB ASP 1 -9.551 15.647 -3.436
6 2HB ASP 1 1HB ASP 1 -9.298 16.565 -4.917
7 H ARG 2 H ARG 2 -8.944 13.547 -3.918
8 HA ARG 2 HA ARG 2 -8.203 11.753 -5.931
9 1HB ARG 2 2HB ARG 2 -7.293 13.713 -7.066
10 2HB ARG 2 1HB ARG 2 -6.347 14.120 -5.641
11 1HG ARG 2 2HG ARG 2 -4.687 12.985 -6.584
12 2HG ARG 2 1HG ARG 2 -5.594 11.524 -6.188
13 1HD ARG 2 2HD ARG 2 -5.093 11.349 -8.481
14 2HD ARG 2 1HD ARG 2 -6.786 11.839 -8.405
15 HE ARG 2 HE ARG 2 -5.075 14.096 -8.609
16 1HH1 ARG 2 1HH1 ARG 2 -6.461 11.500 -10.484
17 2HH1 ARG 2 2HH1 ARG 2 -6.402 12.379 -11.975
18 1HH2 ARG 2 1HH2 ARG 2 -4.996 15.253 -10.569
19 2HH2 ARG 2 2HH2 ARG 2 -5.570 14.508 -12.024
20 H ASP 3 H ASP 3 -7.874 10.148 -4.552
21 HA ASP 3 HA ASP 3 -6.554 10.557 -2.017
22 1HB ASP 3 2HB ASP 3 -8.456 9.011 -2.187
23 2HB ASP 3 1HB ASP 3 -7.552 8.014 -3.321
24 H SER 4 H SER 4 -5.958 8.022 -4.445
25 HA SER 4 HA SER 4 -4.037 7.028 -5.153
26 1HB SER 4 2HB SER 4 -3.869 9.567 -5.925
27 2HB SER 4 1HB SER 4 -2.502 9.564 -4.811
28 HG SER 4 HG SER 4 -2.870 7.706 -6.925
29 H CYS 5 H CYS 5 -3.676 5.661 -3.406
30 HA CYS 5 HA CYS 5 -2.338 6.500 -1.033
31 1HB CYS 5 2HB CYS 5 -3.027 3.813 -2.199
32 2HB CYS 5 1HB CYS 5 -2.059 3.952 -0.736
33 H VAL 6 H VAL 6 -1.240 5.820 -4.165
34 HA VAL 6 HA VAL 6 1.189 4.555 -3.819
35 HB VAL 6 HB VAL 6 0.036 5.348 -5.983
36 1HG1 VAL 6 1HG1 VAL 6 0.024 7.740 -5.455
37 2HG1 VAL 6 2HG1 VAL 6 0.868 7.399 -6.965
38 3HG1 VAL 6 3HG1 VAL 6 1.787 7.749 -5.502
39 1HG2 VAL 6 1HG2 VAL 6 2.916 5.847 -6.300
40 2HG2 VAL 6 2HG2 VAL 6 1.873 4.664 -7.090
41 3HG2 VAL 6 3HG2 VAL 6 2.491 4.350 -5.468
42 H ASP 7 H ASP 7 0.456 8.000 -3.550
43 HA ASP 7 HA ASP 7 3.162 8.505 -2.559
44 1HB ASP 7 2HB ASP 7 1.895 10.952 -2.583
45 2HB ASP 7 1HB ASP 7 2.920 10.320 -3.862
46 H LYS 8 H LYS 8 -0.083 8.182 -1.465
47 HA LYS 8 HA LYS 8 0.146 9.719 0.918
48 1HB LYS 8 2HB LYS 8 -1.979 8.846 -0.305
49 2HB LYS 8 1HB LYS 8 -1.717 7.384 0.636
50 1HG LYS 8 2HG LYS 8 -1.659 8.942 2.673
51 2HG LYS 8 1HG LYS 8 -2.380 10.141 1.597
52 1HD LYS 8 2HD LYS 8 -3.677 7.521 1.486
53 2HD LYS 8 1HD LYS 8 -3.762 8.290 3.072
54 1HE LYS 8 2HE LYS 8 -4.314 10.137 0.891
55 2HE LYS 8 1HE LYS 8 -5.433 8.775 0.928
56 1HZ LYS 8 1HZ LYS 8 -5.908 10.901 2.318
57 2HZ LYS 8 2HZ LYS 8 -4.837 10.202 3.425
58 3HZ LYS 8 3HZ LYS 8 -6.240 9.376 2.970
59 H SER 9 H SER 9 -0.156 6.176 0.599
60 HA SER 9 HA SER 9 1.257 5.865 3.131
61 1HB SER 9 2HB SER 9 -0.911 4.613 2.460
62 2HB SER 9 1HB SER 9 0.152 3.602 1.483
63 HG SER 9 HG SER 9 0.627 4.082 4.230
64 H ARG 10 H ARG 10 3.074 4.488 3.375
65 HA ARG 10 HA ARG 10 4.824 4.503 1.055
66 1HB ARG 10 2HB ARG 10 5.539 5.350 3.315
67 2HB ARG 10 1HB ARG 10 5.450 3.690 3.894
68 1HG ARG 10 2HG ARG 10 7.334 3.070 2.831
69 2HG ARG 10 1HG ARG 10 7.077 4.170 1.477
70 1HD ARG 10 2HD ARG 10 8.130 5.899 2.502
71 2HD ARG 10 1HD ARG 10 7.618 5.400 4.113
72 HE ARG 10 HE ARG 10 9.381 3.487 3.474
73 1HH1 ARG 10 1HH1 ARG 10 9.572 6.969 3.270
74 2HH1 ARG 10 2HH1 ARG 10 11.285 7.011 3.513
75 1HH2 ARG 10 1HH2 ARG 10 11.635 3.547 3.794
76 2HH2 ARG 10 2HH2 ARG 10 12.456 5.071 3.810
77 H CYS 11 H CYS 11 6.255 2.565 0.732
78 HA CYS 11 HA CYS 11 4.978 0.038 1.451
79 1HB CYS 11 2HB CYS 11 4.331 1.027 -0.925
80 2HB CYS 11 1HB CYS 11 5.883 0.334 -1.374
81 H ALA 12 H ALA 12 6.372 -1.850 0.699
82 HA ALA 12 HA ALA 12 9.106 -1.295 1.517
83 1HB ALA 12 1HB ALA 12 8.965 -4.001 1.086
84 2HB ALA 12 2HB ALA 12 7.316 -3.600 1.563
85 3HB ALA 12 3HB ALA 12 8.664 -3.191 2.623
86 H LYS 13 H LYS 13 10.589 -3.188 0.297
87 HA LYS 13 HA LYS 13 11.322 -2.068 -2.113
88 1HB LYS 13 2HB LYS 13 12.476 -3.857 -0.565
89 2HB LYS 13 1HB LYS 13 11.745 -4.992 -1.687
90 1HG LYS 13 2HG LYS 13 12.977 -4.160 -3.504
91 2HG LYS 13 1HG LYS 13 13.448 -2.707 -2.621
92 1HD LYS 13 2HD LYS 13 14.977 -3.872 -1.288
93 2HD LYS 13 1HD LYS 13 14.253 -5.436 -1.667
94 1HE LYS 13 2HE LYS 13 15.339 -5.612 -3.657
95 2HE LYS 13 1HE LYS 13 15.353 -3.871 -3.928
96 1HZ LYS 13 1HZ LYS 13 17.175 -5.477 -2.244
97 2HZ LYS 13 2HZ LYS 13 17.032 -3.804 -2.044
98 3HZ LYS 13 3HZ LYS 13 17.563 -4.437 -3.521
99 H TYR 14 H TYR 14 9.138 -4.810 -1.556
100 HA TYR 14 HA TYR 14 7.457 -4.333 -3.673
101 1HB TYR 14 2HB TYR 14 8.298 -6.286 -5.193
102 2HB TYR 14 1HB TYR 14 8.995 -4.681 -5.367
103 HD1 TYR 14 1HD TYR 14 9.624 -7.559 -3.055
104 HD2 TYR 14 2HD TYR 14 11.243 -4.798 -5.857
105 HE1 TYR 14 1HE TYR 14 11.862 -8.507 -2.686
106 HE2 TYR 14 2HE TYR 14 13.486 -5.739 -5.497
107 HH TYR 14 HH TYR 14 14.002 -8.664 -3.792
108 H GLY 15 H GLY 15 6.022 -6.165 -4.191
109 1HA GLY 15 2HA GLY 15 5.349 -8.446 -3.719
110 2HA GLY 15 1HA GLY 15 6.176 -8.314 -2.175
111 H TYR 16 H TYR 16 4.208 -9.088 -1.221
112 HA TYR 16 HA TYR 16 1.856 -7.415 -1.350
113 1HB TYR 16 2HB TYR 16 1.472 -9.772 -1.232
114 2HB TYR 16 1HB TYR 16 2.522 -9.939 0.166
115 HD1 TYR 16 1HD TYR 16 0.260 -7.095 0.149
116 HD2 TYR 16 2HD TYR 16 0.669 -11.184 1.253
117 HE1 TYR 16 1HE TYR 16 -1.679 -6.879 1.649
118 HE2 TYR 16 2HE TYR 16 -1.270 -10.980 2.748
119 HH TYR 16 HH TYR 16 -2.791 -7.886 3.387
120 H TYR 17 H TYR 17 1.717 -5.616 -0.215
121 HA TYR 17 HA TYR 17 2.959 -5.517 2.456
122 1HB TYR 17 2HB TYR 17 3.785 -3.934 0.559
123 2HB TYR 17 1HB TYR 17 2.285 -3.062 0.855
124 HD1 TYR 17 1HD TYR 17 2.960 -1.057 1.835
125 HD2 TYR 17 2HD TYR 17 4.557 -4.719 3.299
126 HE1 TYR 17 1HE TYR 17 4.035 0.159 3.686
127 HE2 TYR 17 2HE TYR 17 5.632 -3.516 5.154
128 HH TYR 17 HH TYR 17 6.445 -1.097 5.555
129 H GLN 18 H GLN 18 1.268 -6.145 3.707
130 HA GLN 18 HA GLN 18 -1.395 -5.830 3.457
131 1HB GLN 18 2HB GLN 18 0.085 -6.796 5.407
132 2HB GLN 18 1HB GLN 18 -0.236 -5.234 6.142
133 1HG GLN 18 2HG GLN 18 -2.569 -5.619 6.168
134 2HG GLN 18 1HG GLN 18 -2.413 -7.037 5.132
135 1HE2 GLN 18 1HE2 GLN 18 -1.537 -5.754 8.302
136 2HE2 GLN 18 2HE2 GLN 18 -1.531 -7.278 9.116
137 H GLU 19 H GLU 19 0.862 -3.301 4.348
138 HA GLU 19 HA GLU 19 -0.954 -1.399 5.312
139 1HB GLU 19 2HB GLU 19 1.796 -1.501 4.757
140 2HB GLU 19 1HB GLU 19 1.179 -0.165 3.797
141 1HG GLU 19 2HG GLU 19 0.494 1.028 5.655
142 2HG GLU 19 1HG GLU 19 0.452 -0.403 6.683
143 H CYS 20 H CYS 20 0.313 -1.884 2.023
144 HA CYS 20 HA CYS 20 -1.194 0.172 0.819
145 1HB CYS 20 2HB CYS 20 0.832 -1.390 -0.024
146 2HB CYS 20 1HB CYS 20 -0.512 -2.208 -0.813
147 H GLN 21 H GLN 21 -1.811 -3.276 1.285
148 HA GLN 21 HA GLN 21 -4.125 -3.505 -0.261
149 1HB GLN 21 2HB GLN 21 -2.676 -5.124 1.555
150 2HB GLN 21 1HB GLN 21 -4.350 -5.137 2.091
151 1HG GLN 21 2HG GLN 21 -4.317 -5.460 -0.730
152 2HG GLN 21 1HG GLN 21 -3.156 -6.585 -0.026
153 1HE2 GLN 21 1HE2 GLN 21 -6.455 -5.390 0.500
154 2HE2 GLN 21 2HE2 GLN 21 -7.124 -6.921 0.939
155 H ASP 22 H ASP 22 -3.750 -2.654 3.165
156 HA ASP 22 HA ASP 22 -6.497 -2.414 3.737
157 1HB ASP 22 2HB ASP 22 -4.654 -2.585 5.435
158 2HB ASP 22 1HB ASP 22 -4.235 -0.914 5.071
159 H CYS 23 H CYS 23 -4.112 -0.142 2.496
160 HA CYS 23 HA CYS 23 -5.588 2.220 2.716
161 1HB CYS 23 2HB CYS 23 -3.107 1.666 1.910
162 2HB CYS 23 1HB CYS 23 -3.871 1.833 0.340
163 H CYS 24 H CYS 24 -5.149 0.196 -0.175
164 HA CYS 24 HA CYS 24 -7.007 1.470 -1.798
165 1HB CYS 24 2HB CYS 24 -5.240 -0.377 -2.308
166 2HB CYS 24 1HB CYS 24 -6.551 -1.490 -1.949
167 H LYS 25 H LYS 25 -7.455 -1.487 0.142
168 HA LYS 25 HA LYS 25 -10.089 -2.026 -0.373
169 1HB LYS 25 2HB LYS 25 -8.795 -3.535 0.958
170 2HB LYS 25 1HB LYS 25 -8.517 -2.310 2.188
171 1HG LYS 25 2HG LYS 25 -11.322 -3.088 1.610
172 2HG LYS 25 1HG LYS 25 -10.303 -4.224 2.499
173 1HD LYS 25 2HD LYS 25 -10.090 -1.469 3.450
174 2HD LYS 25 1HD LYS 25 -11.712 -2.144 3.600
175 1HE LYS 25 2HE LYS 25 -10.787 -2.806 5.593
176 2HE LYS 25 1HE LYS 25 -10.433 -4.207 4.584
177 1HZ LYS 25 1HZ LYS 25 -8.437 -2.083 4.627
178 2HZ LYS 25 2HZ LYS 25 -8.231 -3.761 4.579
179 3HZ LYS 25 3HZ LYS 25 -8.599 -2.996 6.043
180 H ASN 26 H ASN 26 -8.820 0.166 2.128
181 HA ASN 26 HA ASN 26 -11.328 0.971 3.129
182 1HB ASN 26 2HB ASN 26 -8.710 1.417 3.835
183 2HB ASN 26 1HB ASN 26 -9.214 3.002 3.261
184 1HD2 ASN 26 1HD2 ASN 26 -9.110 0.963 5.872
185 2HD2 ASN 26 2HD2 ASN 26 -10.278 1.744 6.877
186 H ALA 27 H ALA 27 -9.464 1.964 0.368
187 HA ALA 27 HA ALA 27 -10.753 4.450 -0.090
188 1HB ALA 27 1HB ALA 27 -9.718 2.977 -2.426
189 2HB ALA 27 2HB ALA 27 -8.564 3.278 -1.126
190 3HB ALA 27 3HB ALA 27 -9.402 4.628 -1.891
191 H GLY 28 H GLY 28 -11.474 1.136 -0.949
192 1HA GLY 28 2HA GLY 28 -14.051 1.002 -1.165
193 2HA GLY 28 1HA GLY 28 -13.756 2.027 -2.557
194 H HIS 29 H HIS 29 -11.115 0.149 -2.510
195 HA HIS 29 HA HIS 29 -12.320 -1.749 -4.386
196 1HB HIS 29 2HB HIS 29 -9.382 -1.182 -4.000
197 2HB HIS 29 1HB HIS 29 -10.150 -1.984 -5.364
198 HD1 HIS 29 1HD HIS 29 -11.934 -0.302 -6.686
199 HD2 HIS 29 2HD HIS 29 -8.868 1.431 -4.478
200 HE1 HIS 29 1HE HIS 29 -11.715 2.044 -7.564
201 HE2 HIS 29 2HE HIS 29 -9.817 3.056 -6.253
202 H ASN 30 H ASN 30 -9.837 -3.453 -4.126
203 HA ASN 30 HA ASN 30 -10.688 -4.898 -1.711
204 1HB ASN 30 2HB ASN 30 -9.622 -6.890 -2.881
205 2HB ASN 30 1HB ASN 30 -11.097 -6.259 -3.609
206 1HD2 ASN 30 1HD2 ASN 30 -8.197 -7.458 -4.338
207 2HD2 ASN 30 2HD2 ASN 30 -7.889 -6.657 -5.839
208 H GLY 31 H GLY 31 -7.794 -4.175 -3.671
209 1HA GLY 31 2HA GLY 31 -6.215 -3.578 -1.392
210 2HA GLY 31 1HA GLY 31 -5.881 -5.213 -1.940
211 H GLY 32 H GLY 32 -3.738 -4.652 -2.467
212 1HA GLY 32 2HA GLY 32 -3.450 -3.656 -5.148
213 2HA GLY 32 1HA GLY 32 -2.802 -2.557 -3.942
214 H THR 33 H THR 33 -0.792 -2.988 -5.174
215 HA THR 33 HA THR 33 0.598 -5.290 -4.002
216 HB THR 33 HB THR 33 0.158 -6.060 -6.199
217 HG1 THR 33 1HG THR 33 2.214 -6.557 -5.990
218 1HG2 THR 33 1HG2 THR 33 0.973 -3.331 -7.141
219 2HG2 THR 33 2HG2 THR 33 -0.568 -4.154 -7.375
220 3HG2 THR 33 3HG2 THR 33 0.874 -4.732 -8.207
221 H CYS 34 H CYS 34 2.997 -5.071 -4.174
222 HA CYS 34 HA CYS 34 3.759 -2.256 -3.783
223 1HB CYS 34 2HB CYS 34 4.003 -4.107 -1.941
224 2HB CYS 34 1HB CYS 34 5.437 -4.553 -2.854
225 H MET 35 H MET 35 5.072 -1.338 -5.213
226 HA MET 35 HA MET 35 6.841 -3.051 -6.820
227 1HB MET 35 2HB MET 35 4.826 -1.052 -7.726
228 2HB MET 35 1HB MET 35 6.331 -1.174 -8.628
229 1HG MET 35 2HG MET 35 5.073 -3.750 -8.068
230 2HG MET 35 1HG MET 35 4.095 -2.671 -9.062
231 1HE MET 35 1HE MET 35 4.074 -3.295 -11.435
232 2HE MET 35 2HE MET 35 5.485 -3.002 -12.453
233 3HE MET 35 3HE MET 35 4.861 -1.717 -11.419
234 H PHE 36 H PHE 36 8.675 -2.475 -5.657
235 HA PHE 36 HA PHE 36 10.425 -1.205 -4.943
236 1HB PHE 36 2HB PHE 36 10.848 -1.144 -7.318
237 2HB PHE 36 1HB PHE 36 9.722 0.185 -7.523
238 HD1 PHE 36 1HD PHE 36 12.843 -0.704 -5.744
239 HD2 PHE 36 2HD PHE 36 10.523 2.359 -7.556
240 HE1 PHE 36 1HE PHE 36 14.702 0.879 -5.424
241 HE2 PHE 36 2HE PHE 36 12.373 3.953 -7.244
242 HZ PHE 36 HZ PHE 36 14.466 3.213 -6.176
243 H PHE 37 H PHE 37 8.674 -0.534 -3.266
244 HA PHE 37 HA PHE 37 7.987 1.063 -1.810
245 1HB PHE 37 2HB PHE 37 9.630 3.035 -3.398
246 2HB PHE 37 1HB PHE 37 9.169 3.135 -1.701
247 HD1 PHE 37 1HD PHE 37 9.764 0.254 -0.981
248 HD2 PHE 37 2HD PHE 37 11.980 3.158 -3.161
249 HE1 PHE 37 1HE PHE 37 11.855 -0.873 -0.344
250 HE2 PHE 37 2HE PHE 37 14.078 2.035 -2.531
251 HZ PHE 37 HZ PHE 37 14.016 0.013 -1.122
252 H LYS 38 H LYS 38 6.781 0.712 -4.658
253 HA LYS 38 HA LYS 38 5.262 3.228 -4.717
254 1HB LYS 38 2HB LYS 38 5.415 1.077 -6.836
255 2HB LYS 38 1HB LYS 38 4.593 2.622 -6.981
256 1HG LYS 38 2HG LYS 38 7.522 2.526 -6.397
257 2HG LYS 38 1HG LYS 38 6.924 2.326 -8.046
258 1HD LYS 38 2HD LYS 38 6.142 4.646 -6.295
259 2HD LYS 38 1HD LYS 38 7.550 4.683 -7.357
260 1HE LYS 38 2HE LYS 38 6.145 4.304 -9.290
261 2HE LYS 38 1HE LYS 38 4.725 4.137 -8.258
262 1HZ LYS 38 1HZ LYS 38 6.360 6.599 -8.556
263 2HZ LYS 38 2HZ LYS 38 4.990 6.438 -7.578
264 3HZ LYS 38 3HZ LYS 38 4.845 6.332 -9.259
265 H CYS 39 H CYS 39 3.268 3.233 -3.943
266 HA CYS 39 HA CYS 39 2.013 0.712 -3.224
267 1HB CYS 39 2HB CYS 39 2.113 3.216 -2.025
268 2HB CYS 39 1HB CYS 39 0.468 3.115 -2.643
269 H LYS 40 H LYS 40 1.154 -0.207 -5.028
270 HA LYS 40 HA LYS 40 -0.710 1.418 -6.623
271 1HB LYS 40 2HB LYS 40 1.328 -0.046 -7.564
272 2HB LYS 40 1HB LYS 40 0.094 -1.297 -7.526
273 1HG LYS 40 2HG LYS 40 -1.244 0.749 -8.720
274 2HG LYS 40 1HG LYS 40 0.399 1.000 -9.312
275 1HD LYS 40 2HD LYS 40 0.328 -1.562 -9.783
276 2HD LYS 40 1HD LYS 40 -1.421 -1.343 -9.698
277 1HE LYS 40 2HE LYS 40 -0.660 0.726 -11.315
278 2HE LYS 40 1HE LYS 40 0.481 -0.538 -11.772
279 1HZ LYS 40 1HZ LYS 40 -2.314 -1.323 -11.540
280 2HZ LYS 40 2HZ LYS 40 -1.142 -1.809 -12.659
281 3HZ LYS 40 3HZ LYS 40 -1.920 -0.319 -12.844
282 H CYS 41 H CYS 41 -2.677 0.258 -7.404
283 HA CYS 41 HA CYS 41 -3.782 -1.348 -5.221
284 1HB CYS 41 2HB CYS 41 -4.901 0.572 -7.193
285 2HB CYS 41 1HB CYS 41 -5.937 -0.732 -6.661
286 H ALA 42 H ALA 42 -5.859 -2.583 -6.380
287 HA ALA 42 HA ALA 42 -4.649 -4.290 -8.459
288 1HB ALA 42 1HB ALA 42 -5.928 -5.006 -5.893
289 2HB ALA 42 2HB ALA 42 -4.639 -5.813 -6.785
290 3HB ALA 42 3HB ALA 42 -6.318 -6.020 -7.281
Start of MODEL 15
1 1H ASP 1 1HT ASP 1 -7.691 14.458 2.903
2 2H ASP 1 2HT ASP 1 -6.579 13.315 2.268
3 3H ASP 1 3HT ASP 1 -8.017 12.781 3.038
4 HA ASP 1 HA ASP 1 -9.254 14.022 1.298
5 1HB ASP 1 2HB ASP 1 -6.457 14.482 0.540
6 2HB ASP 1 1HB ASP 1 -7.458 13.909 -0.791
7 H ARG 2 H ARG 2 -9.851 12.826 -0.701
8 HA ARG 2 HA ARG 2 -9.355 9.967 -0.312
9 1HB ARG 2 2HB ARG 2 -11.540 11.533 -1.653
10 2HB ARG 2 1HB ARG 2 -11.320 9.823 -1.998
11 1HG ARG 2 2HG ARG 2 -11.328 9.731 0.677
12 2HG ARG 2 1HG ARG 2 -12.338 11.156 0.427
13 1HD ARG 2 2HD ARG 2 -12.781 8.460 -0.853
14 2HD ARG 2 1HD ARG 2 -13.645 9.067 0.559
15 HE ARG 2 HE ARG 2 -14.076 10.990 -1.286
16 1HH1 ARG 2 1HH1 ARG 2 -14.475 7.523 -1.333
17 2HH1 ARG 2 2HH1 ARG 2 -15.790 7.564 -2.459
18 1HH2 ARG 2 1HH2 ARG 2 -15.806 11.046 -2.767
19 2HH2 ARG 2 2HH2 ARG 2 -16.545 9.564 -3.274
20 H ASP 3 H ASP 3 -7.312 11.519 -1.510
21 HA ASP 3 HA ASP 3 -7.325 11.487 -4.310
22 1HB ASP 3 2HB ASP 3 -5.536 12.246 -2.312
23 2HB ASP 3 1HB ASP 3 -4.686 10.981 -3.195
24 H SER 4 H SER 4 -5.319 9.310 -2.332
25 HA SER 4 HA SER 4 -6.312 6.912 -3.392
26 1HB SER 4 2HB SER 4 -5.433 7.521 -5.516
27 2HB SER 4 1HB SER 4 -3.914 8.064 -4.804
28 HG SER 4 HG SER 4 -4.797 5.385 -4.612
29 H CYS 5 H CYS 5 -2.941 6.877 -3.463
30 HA CYS 5 HA CYS 5 -2.310 6.765 -0.729
31 1HB CYS 5 2HB CYS 5 -3.825 4.679 -1.132
32 2HB CYS 5 1HB CYS 5 -2.386 3.999 -1.885
33 H VAL 6 H VAL 6 -1.613 5.733 -4.004
34 HA VAL 6 HA VAL 6 0.930 4.817 -3.946
35 HB VAL 6 HB VAL 6 0.075 6.921 -5.901
36 1HG1 VAL 6 1HG1 VAL 6 2.246 4.935 -5.760
37 2HG1 VAL 6 2HG1 VAL 6 2.197 6.510 -6.552
38 3HG1 VAL 6 3HG1 VAL 6 1.453 5.111 -7.326
39 1HG2 VAL 6 1HG2 VAL 6 -1.588 5.602 -6.560
40 2HG2 VAL 6 2HG2 VAL 6 -1.130 4.375 -5.379
41 3HG2 VAL 6 3HG2 VAL 6 -0.398 4.372 -6.983
42 H ASP 7 H ASP 7 -0.071 8.149 -3.470
43 HA ASP 7 HA ASP 7 2.726 8.839 -2.844
44 1HB ASP 7 2HB ASP 7 1.470 9.968 -4.862
45 2HB ASP 7 1HB ASP 7 0.722 10.934 -3.593
46 H LYS 8 H LYS 8 0.880 7.683 -1.003
47 HA LYS 8 HA LYS 8 0.723 9.883 0.935
48 1HB LYS 8 2HB LYS 8 -1.529 9.107 -0.185
49 2HB LYS 8 1HB LYS 8 -1.393 7.769 0.947
50 1HG LYS 8 2HG LYS 8 -1.230 9.425 2.792
51 2HG LYS 8 1HG LYS 8 -1.542 10.700 1.613
52 1HD LYS 8 2HD LYS 8 -3.626 10.196 2.626
53 2HD LYS 8 1HD LYS 8 -3.662 9.467 1.019
54 1HE LYS 8 2HE LYS 8 -4.371 7.647 2.140
55 2HE LYS 8 1HE LYS 8 -2.651 7.421 2.459
56 1HZ LYS 8 1HZ LYS 8 -3.362 7.349 4.576
57 2HZ LYS 8 2HZ LYS 8 -4.782 8.214 4.263
58 3HZ LYS 8 3HZ LYS 8 -3.319 9.037 4.462
59 H SER 9 H SER 9 0.428 6.349 0.570
60 HA SER 9 HA SER 9 1.708 6.033 3.194
61 1HB SER 9 2HB SER 9 -0.536 4.893 2.555
62 2HB SER 9 1HB SER 9 0.473 3.785 1.625
63 HG SER 9 HG SER 9 0.212 2.933 3.666
64 H ARG 10 H ARG 10 3.463 4.602 3.468
65 HA ARG 10 HA ARG 10 5.206 4.469 1.160
66 1HB ARG 10 2HB ARG 10 5.981 5.234 3.423
67 2HB ARG 10 1HB ARG 10 5.755 3.585 3.994
68 1HG ARG 10 2HG ARG 10 7.449 2.767 2.550
69 2HG ARG 10 1HG ARG 10 7.557 4.310 1.703
70 1HD ARG 10 2HD ARG 10 8.339 3.739 4.558
71 2HD ARG 10 1HD ARG 10 9.417 4.119 3.216
72 HE ARG 10 HE ARG 10 7.749 6.268 3.363
73 1HH1 ARG 10 1HH1 ARG 10 9.843 4.642 5.632
74 2HH1 ARG 10 2HH1 ARG 10 10.170 6.075 6.548
75 1HH2 ARG 10 1HH2 ARG 10 8.179 8.153 4.565
76 2HH2 ARG 10 2HH2 ARG 10 9.225 8.068 5.943
77 H CYS 11 H CYS 11 6.500 2.463 0.806
78 HA CYS 11 HA CYS 11 5.124 -0.010 1.514
79 1HB CYS 11 2HB CYS 11 4.368 1.030 -0.791
80 2HB CYS 11 1HB CYS 11 5.886 0.347 -1.355
81 H ALA 12 H ALA 12 6.408 -1.943 0.657
82 HA ALA 12 HA ALA 12 9.202 -1.497 1.331
83 1HB ALA 12 1HB ALA 12 7.340 -3.754 1.408
84 2HB ALA 12 2HB ALA 12 8.731 -3.394 2.431
85 3HB ALA 12 3HB ALA 12 8.964 -4.182 0.870
86 H LYS 13 H LYS 13 10.573 -3.379 -0.013
87 HA LYS 13 HA LYS 13 11.208 -2.239 -2.428
88 1HB LYS 13 2HB LYS 13 12.385 -4.115 -1.045
89 2HB LYS 13 1HB LYS 13 11.480 -5.200 -2.088
90 1HG LYS 13 2HG LYS 13 12.584 -4.456 -4.014
91 2HG LYS 13 1HG LYS 13 13.208 -3.019 -3.201
92 1HD LYS 13 2HD LYS 13 14.623 -4.437 -1.789
93 2HD LYS 13 1HD LYS 13 14.001 -5.871 -2.609
94 1HE LYS 13 2HE LYS 13 14.853 -4.846 -4.759
95 2HE LYS 13 1HE LYS 13 15.692 -3.662 -3.757
96 1HZ LYS 13 1HZ LYS 13 16.054 -6.582 -3.411
97 2HZ LYS 13 2HZ LYS 13 17.018 -5.332 -2.801
98 3HZ LYS 13 3HZ LYS 13 17.015 -5.665 -4.459
99 H TYR 14 H TYR 14 9.043 -5.015 -1.906
100 HA TYR 14 HA TYR 14 7.169 -4.351 -3.808
101 1HB TYR 14 2HB TYR 14 7.906 -6.211 -5.541
102 2HB TYR 14 1HB TYR 14 8.478 -4.554 -5.686
103 HD1 TYR 14 1HD TYR 14 9.651 -7.176 -3.321
104 HD2 TYR 14 2HD TYR 14 10.550 -4.815 -6.743
105 HE1 TYR 14 1HE TYR 14 11.971 -7.984 -3.260
106 HE2 TYR 14 2HE TYR 14 12.875 -5.617 -6.692
107 HH TYR 14 HH TYR 14 13.892 -8.213 -5.239
108 H GLY 15 H GLY 15 5.731 -6.194 -4.412
109 1HA GLY 15 2HA GLY 15 5.144 -8.526 -4.042
110 2HA GLY 15 1HA GLY 15 6.024 -8.448 -2.524
111 H TYR 16 H TYR 16 4.552 -8.815 -0.995
112 HA TYR 16 HA TYR 16 1.968 -7.434 -1.160
113 1HB TYR 16 2HB TYR 16 2.200 -9.993 -0.824
114 2HB TYR 16 1HB TYR 16 2.638 -9.584 0.832
115 HD1 TYR 16 1HD TYR 16 0.913 -7.702 1.846
116 HD2 TYR 16 2HD TYR 16 0.011 -10.617 -1.118
117 HE1 TYR 16 1HE TYR 16 -1.469 -7.559 2.441
118 HE2 TYR 16 2HE TYR 16 -2.373 -10.484 -0.531
119 HH TYR 16 HH TYR 16 -3.932 -9.007 0.526
120 H TYR 17 H TYR 17 1.429 -5.867 0.211
121 HA TYR 17 HA TYR 17 2.945 -5.538 2.696
122 1HB TYR 17 2HB TYR 17 3.730 -4.033 0.696
123 2HB TYR 17 1HB TYR 17 2.276 -3.112 1.062
124 HD1 TYR 17 1HD TYR 17 3.074 -1.114 1.964
125 HD2 TYR 17 2HD TYR 17 4.627 -4.803 3.406
126 HE1 TYR 17 1HE TYR 17 4.286 0.094 3.731
127 HE2 TYR 17 2HE TYR 17 5.841 -3.607 5.178
128 HH TYR 17 HH TYR 17 5.187 -0.658 6.187
129 H GLN 18 H GLN 18 1.335 -5.993 4.076
130 HA GLN 18 HA GLN 18 -1.346 -5.728 3.861
131 1HB GLN 18 2HB GLN 18 0.221 -6.527 5.837
132 2HB GLN 18 1HB GLN 18 -0.162 -4.936 6.476
133 1HG GLN 18 2HG GLN 18 -1.833 -6.140 7.427
134 2HG GLN 18 1HG GLN 18 -2.625 -5.678 5.921
135 1HE2 GLN 18 1HE2 GLN 18 -0.287 -8.187 6.840
136 2HE2 GLN 18 2HE2 GLN 18 -1.186 -9.507 6.181
137 H GLU 19 H GLU 19 0.906 -3.122 4.573
138 HA GLU 19 HA GLU 19 -0.928 -1.191 5.432
139 1HB GLU 19 2HB GLU 19 1.775 -1.077 4.152
140 2HB GLU 19 1HB GLU 19 0.852 0.407 4.338
141 1HG GLU 19 2HG GLU 19 0.622 -0.335 6.806
142 2HG GLU 19 1HG GLU 19 1.989 -1.386 6.436
143 H CYS 20 H CYS 20 0.448 -1.615 2.169
144 HA CYS 20 HA CYS 20 -1.162 0.275 0.889
145 1HB CYS 20 2HB CYS 20 0.919 -1.260 0.113
146 2HB CYS 20 1HB CYS 20 -0.397 -2.128 -0.669
147 H GLN 21 H GLN 21 -1.712 -3.123 1.604
148 HA GLN 21 HA GLN 21 -3.966 -3.550 0.004
149 1HB GLN 21 2HB GLN 21 -2.567 -4.932 2.091
150 2HB GLN 21 1HB GLN 21 -4.294 -5.028 2.402
151 1HG GLN 21 2HG GLN 21 -3.541 -5.558 -0.373
152 2HG GLN 21 1HG GLN 21 -2.891 -6.705 0.793
153 1HE2 GLN 21 1HE2 GLN 21 -4.825 -6.936 2.631
154 2HE2 GLN 21 2HE2 GLN 21 -6.275 -7.557 1.928
155 H ASP 22 H ASP 22 -3.849 -2.737 3.477
156 HA ASP 22 HA ASP 22 -6.586 -2.425 3.860
157 1HB ASP 22 2HB ASP 22 -4.372 -0.911 5.257
158 2HB ASP 22 1HB ASP 22 -6.011 -1.143 5.857
159 H CYS 23 H CYS 23 -4.197 -0.180 2.611
160 HA CYS 23 HA CYS 23 -5.687 2.181 2.722
161 1HB CYS 23 2HB CYS 23 -3.182 1.586 1.992
162 2HB CYS 23 1HB CYS 23 -3.912 1.745 0.406
163 H CYS 24 H CYS 24 -5.200 0.012 -0.050
164 HA CYS 24 HA CYS 24 -6.969 1.268 -1.788
165 1HB CYS 24 2HB CYS 24 -5.207 -0.582 -2.213
166 2HB CYS 24 1HB CYS 24 -6.516 -1.696 -1.840
167 H LYS 25 H LYS 25 -7.582 -1.804 -0.063
168 HA LYS 25 HA LYS 25 -10.196 -2.190 -0.682
169 1HB LYS 25 2HB LYS 25 -10.420 -3.502 1.316
170 2HB LYS 25 1HB LYS 25 -8.792 -3.713 0.690
171 1HG LYS 25 2HG LYS 25 -7.949 -2.131 2.354
172 2HG LYS 25 1HG LYS 25 -9.584 -1.937 2.989
173 1HD LYS 25 2HD LYS 25 -9.213 -4.678 2.965
174 2HD LYS 25 1HD LYS 25 -7.641 -4.049 3.462
175 1HE LYS 25 2HE LYS 25 -10.281 -3.326 4.728
176 2HE LYS 25 1HE LYS 25 -9.138 -4.504 5.370
177 1HZ LYS 25 1HZ LYS 25 -8.285 -1.734 4.829
178 2HZ LYS 25 2HZ LYS 25 -7.616 -2.864 5.895
179 3HZ LYS 25 3HZ LYS 25 -9.087 -2.117 6.270
180 H ASN 26 H ASN 26 -9.018 -0.126 1.966
181 HA ASN 26 HA ASN 26 -11.629 0.628 2.823
182 1HB ASN 26 2HB ASN 26 -9.078 0.878 3.848
183 2HB ASN 26 1HB ASN 26 -9.508 2.536 3.450
184 1HD2 ASN 26 1HD2 ASN 26 -10.364 -0.275 5.334
185 2HD2 ASN 26 2HD2 ASN 26 -11.363 0.553 6.475
186 H ALA 27 H ALA 27 -9.470 1.743 0.367
187 HA ALA 27 HA ALA 27 -10.554 4.363 0.075
188 1HB ALA 27 1HB ALA 27 -8.572 2.706 -1.279
189 2HB ALA 27 2HB ALA 27 -8.605 4.450 -1.018
190 3HB ALA 27 3HB ALA 27 -9.481 3.746 -2.377
191 H GLY 28 H GLY 28 -11.409 1.210 -1.120
192 1HA GLY 28 2HA GLY 28 -13.899 1.193 -1.654
193 2HA GLY 28 1HA GLY 28 -13.464 2.412 -2.838
194 H HIS 29 H HIS 29 -11.442 -0.357 -2.107
195 HA HIS 29 HA HIS 29 -12.308 -1.673 -4.573
196 1HB HIS 29 2HB HIS 29 -9.387 -1.233 -3.965
197 2HB HIS 29 1HB HIS 29 -10.097 -1.855 -5.449
198 HD1 HIS 29 1HD HIS 29 -11.835 0.064 -6.582
199 HD2 HIS 29 2HD HIS 29 -8.672 1.355 -4.217
200 HE1 HIS 29 1HE HIS 29 -11.467 2.471 -7.207
201 HE2 HIS 29 2HE HIS 29 -9.489 3.205 -5.830
202 H ASN 30 H ASN 30 -9.988 -3.503 -4.421
203 HA ASN 30 HA ASN 30 -10.961 -5.140 -2.190
204 1HB ASN 30 2HB ASN 30 -10.635 -5.761 -4.865
205 2HB ASN 30 1HB ASN 30 -9.205 -6.467 -4.116
206 1HD2 ASN 30 1HD2 ASN 30 -9.398 -8.355 -3.116
207 2HD2 ASN 30 2HD2 ASN 30 -10.888 -9.151 -2.760
208 H GLY 31 H GLY 31 -7.887 -4.512 -3.915
209 1HA GLY 31 2HA GLY 31 -6.492 -4.092 -1.444
210 2HA GLY 31 1HA GLY 31 -6.117 -5.645 -2.176
211 H GLY 32 H GLY 32 -3.925 -4.766 -2.266
212 1HA GLY 32 2HA GLY 32 -3.458 -3.550 -4.858
213 2HA GLY 32 1HA GLY 32 -2.933 -2.590 -3.484
214 H THR 33 H THR 33 -0.981 -3.140 -5.109
215 HA THR 33 HA THR 33 0.487 -5.325 -3.795
216 HB THR 33 HB THR 33 0.028 -6.207 -5.935
217 HG1 THR 33 1HG THR 33 2.118 -6.601 -5.737
218 1HG2 THR 33 1HG2 THR 33 0.364 -3.432 -6.875
219 2HG2 THR 33 2HG2 THR 33 -0.763 -4.686 -7.396
220 3HG2 THR 33 3HG2 THR 33 0.909 -4.715 -7.955
221 H CYS 34 H CYS 34 2.878 -5.088 -4.022
222 HA CYS 34 HA CYS 34 3.608 -2.259 -3.714
223 1HB CYS 34 2HB CYS 34 3.982 -4.087 -1.883
224 2HB CYS 34 1HB CYS 34 5.365 -4.531 -2.869
225 H MET 35 H MET 35 5.029 -1.310 -5.056
226 HA MET 35 HA MET 35 6.661 -2.998 -6.813
227 1HB MET 35 2HB MET 35 4.578 -1.033 -7.600
228 2HB MET 35 1HB MET 35 6.057 -1.055 -8.550
229 1HG MET 35 2HG MET 35 5.192 -2.716 -9.722
230 2HG MET 35 1HG MET 35 5.346 -3.729 -8.289
231 1HE MET 35 1HE MET 35 3.353 -5.265 -9.267
232 2HE MET 35 2HE MET 35 3.236 -4.190 -10.661
233 3HE MET 35 3HE MET 35 1.787 -4.611 -9.749
234 H PHE 36 H PHE 36 8.585 -2.456 -5.854
235 HA PHE 36 HA PHE 36 10.381 -1.210 -5.209
236 1HB PHE 36 2HB PHE 36 10.626 -1.040 -7.600
237 2HB PHE 36 1HB PHE 36 9.472 0.281 -7.666
238 HD1 PHE 36 1HD PHE 36 12.155 -0.091 -5.172
239 HD2 PHE 36 2HD PHE 36 10.831 1.927 -8.672
240 HE1 PHE 36 1HE PHE 36 14.003 1.518 -4.935
241 HE2 PHE 36 2HE PHE 36 12.674 3.543 -8.444
242 HZ PHE 36 HZ PHE 36 14.263 3.338 -6.574
243 H PHE 37 H PHE 37 8.850 -0.600 -3.337
244 HA PHE 37 HA PHE 37 8.225 0.936 -1.790
245 1HB PHE 37 2HB PHE 37 9.896 2.911 -3.344
246 2HB PHE 37 1HB PHE 37 9.512 2.942 -1.625
247 HD1 PHE 37 1HD PHE 37 9.984 -0.013 -1.106
248 HD2 PHE 37 2HD PHE 37 12.260 2.920 -3.181
249 HE1 PHE 37 1HE PHE 37 12.038 -1.273 -0.620
250 HE2 PHE 37 2HE PHE 37 14.322 1.663 -2.702
251 HZ PHE 37 HZ PHE 37 14.210 -0.440 -1.420
252 H LYS 38 H LYS 38 6.816 0.771 -4.523
253 HA LYS 38 HA LYS 38 5.409 3.351 -4.330
254 1HB LYS 38 2HB LYS 38 5.445 1.461 -6.689
255 2HB LYS 38 1HB LYS 38 4.699 3.050 -6.629
256 1HG LYS 38 2HG LYS 38 7.303 3.575 -5.932
257 2HG LYS 38 1HG LYS 38 7.462 2.305 -7.146
258 1HD LYS 38 2HD LYS 38 7.495 4.328 -8.351
259 2HD LYS 38 1HD LYS 38 5.866 3.684 -8.570
260 1HE LYS 38 2HE LYS 38 4.902 5.319 -7.310
261 2HE LYS 38 1HE LYS 38 6.318 5.508 -6.276
262 1HZ LYS 38 1HZ LYS 38 6.477 6.330 -9.093
263 2HZ LYS 38 2HZ LYS 38 7.317 6.927 -7.753
264 3HZ LYS 38 3HZ LYS 38 5.694 7.341 -7.984
265 H CYS 39 H CYS 39 3.314 3.363 -3.793
266 HA CYS 39 HA CYS 39 2.084 0.824 -3.099
267 1HB CYS 39 2HB CYS 39 2.053 3.371 -1.959
268 2HB CYS 39 1HB CYS 39 0.435 3.168 -2.622
269 H LYS 40 H LYS 40 0.989 -0.214 -4.624
270 HA LYS 40 HA LYS 40 -0.717 1.367 -6.436
271 1HB LYS 40 2HB LYS 40 1.400 -0.077 -7.265
272 2HB LYS 40 1HB LYS 40 0.168 -1.330 -7.295
273 1HG LYS 40 2HG LYS 40 0.330 -0.319 -9.465
274 2HG LYS 40 1HG LYS 40 -1.219 0.112 -8.738
275 1HD LYS 40 2HD LYS 40 0.372 2.161 -7.901
276 2HD LYS 40 1HD LYS 40 1.053 1.810 -9.490
277 1HE LYS 40 2HE LYS 40 -1.842 1.825 -9.546
278 2HE LYS 40 1HE LYS 40 -1.195 3.348 -8.936
279 1HZ LYS 40 1HZ LYS 40 -1.348 3.568 -11.259
280 2HZ LYS 40 2HZ LYS 40 -0.644 2.058 -11.544
281 3HZ LYS 40 3HZ LYS 40 0.296 3.328 -10.941
282 H CYS 41 H CYS 41 -2.609 0.128 -7.282
283 HA CYS 41 HA CYS 41 -3.743 -1.499 -5.128
284 1HB CYS 41 2HB CYS 41 -4.844 0.426 -7.101
285 2HB CYS 41 1HB CYS 41 -5.873 -0.904 -6.618
286 H ALA 42 H ALA 42 -5.781 -2.749 -6.381
287 HA ALA 42 HA ALA 42 -4.383 -4.787 -7.901
288 1HB ALA 42 1HB ALA 42 -7.288 -5.041 -7.460
289 2HB ALA 42 2HB ALA 42 -6.284 -4.973 -6.012
290 3HB ALA 42 3HB ALA 42 -5.995 -6.217 -7.227
Start of MODEL 16
1 1H ASP 1 1HT ASP 1 -9.427 16.736 -5.943
2 2H ASP 1 2HT ASP 1 -10.795 17.417 -5.161
3 3H ASP 1 3HT ASP 1 -11.007 16.312 -6.457
4 HA ASP 1 HA ASP 1 -9.882 15.749 -3.798
5 1HB ASP 1 2HB ASP 1 -11.892 14.346 -3.583
6 2HB ASP 1 1HB ASP 1 -12.319 16.030 -3.869
7 H ARG 2 H ARG 2 -8.593 14.026 -3.667
8 HA ARG 2 HA ARG 2 -8.844 11.673 -5.164
9 1HB ARG 2 2HB ARG 2 -8.079 13.093 -7.021
10 2HB ARG 2 1HB ARG 2 -6.626 13.491 -6.117
11 1HG ARG 2 2HG ARG 2 -5.606 11.638 -6.788
12 2HG ARG 2 1HG ARG 2 -6.980 10.634 -6.323
13 1HD ARG 2 2HD ARG 2 -8.007 10.868 -8.409
14 2HD ARG 2 1HD ARG 2 -7.034 12.277 -8.830
15 HE ARG 2 HE ARG 2 -5.503 9.870 -8.469
16 1HH1 ARG 2 1HH1 ARG 2 -7.343 11.784 -10.734
17 2HH1 ARG 2 2HH1 ARG 2 -6.551 11.126 -12.126
18 1HH2 ARG 2 1HH2 ARG 2 -4.457 9.006 -10.298
19 2HH2 ARG 2 2HH2 ARG 2 -4.911 9.549 -11.879
20 H ASP 3 H ASP 3 -8.320 10.417 -3.517
21 HA ASP 3 HA ASP 3 -6.403 11.065 -1.535
22 1HB ASP 3 2HB ASP 3 -8.432 9.222 -1.757
23 2HB ASP 3 1HB ASP 3 -6.995 8.207 -1.839
24 H SER 4 H SER 4 -6.306 8.237 -3.701
25 HA SER 4 HA SER 4 -4.579 7.155 -4.710
26 1HB SER 4 2HB SER 4 -3.820 10.020 -4.868
27 2HB SER 4 1HB SER 4 -2.536 8.849 -5.176
28 HG SER 4 HG SER 4 -5.058 8.690 -6.446
29 H CYS 5 H CYS 5 -4.036 5.790 -3.026
30 HA CYS 5 HA CYS 5 -2.404 6.562 -0.836
31 1HB CYS 5 2HB CYS 5 -3.152 3.863 -1.961
32 2HB CYS 5 1HB CYS 5 -2.162 4.056 -0.517
33 H VAL 6 H VAL 6 -1.659 5.948 -4.080
34 HA VAL 6 HA VAL 6 0.778 4.647 -4.012
35 HB VAL 6 HB VAL 6 0.202 6.952 -5.834
36 1HG1 VAL 6 1HG1 VAL 6 2.147 4.745 -5.768
37 2HG1 VAL 6 2HG1 VAL 6 2.286 6.361 -6.461
38 3HG1 VAL 6 3HG1 VAL 6 1.429 5.095 -7.340
39 1HG2 VAL 6 1HG2 VAL 6 -1.151 4.375 -5.606
40 2HG2 VAL 6 2HG2 VAL 6 -0.545 4.722 -7.226
41 3HG2 VAL 6 3HG2 VAL 6 -1.651 5.847 -6.438
42 H ASP 7 H ASP 7 0.141 8.124 -3.686
43 HA ASP 7 HA ASP 7 2.918 8.479 -2.782
44 1HB ASP 7 2HB ASP 7 1.672 9.839 -4.755
45 2HB ASP 7 1HB ASP 7 1.263 10.862 -3.381
46 H LYS 8 H LYS 8 0.728 7.462 -1.135
47 HA LYS 8 HA LYS 8 0.785 9.540 0.944
48 1HB LYS 8 2HB LYS 8 -1.481 9.133 -0.320
49 2HB LYS 8 1HB LYS 8 -1.573 7.710 0.708
50 1HG LYS 8 2HG LYS 8 -1.123 9.376 2.638
51 2HG LYS 8 1HG LYS 8 -1.631 10.597 1.470
52 1HD LYS 8 2HD LYS 8 -3.584 10.010 2.651
53 2HD LYS 8 1HD LYS 8 -3.701 9.169 1.104
54 1HE LYS 8 2HE LYS 8 -4.323 7.566 2.693
55 2HE LYS 8 1HE LYS 8 -2.647 7.178 2.303
56 1HZ LYS 8 1HZ LYS 8 -2.175 8.720 4.329
57 2HZ LYS 8 2HZ LYS 8 -2.609 7.104 4.574
58 3HZ LYS 8 3HZ LYS 8 -3.763 8.326 4.762
59 H SER 9 H SER 9 0.135 6.099 0.310
60 HA SER 9 HA SER 9 1.163 5.462 2.986
61 1HB SER 9 2HB SER 9 -1.126 4.617 2.108
62 2HB SER 9 1HB SER 9 -0.170 3.484 1.152
63 HG SER 9 HG SER 9 -0.722 2.552 3.131
64 H ARG 10 H ARG 10 3.287 5.094 2.991
65 HA ARG 10 HA ARG 10 4.882 4.474 0.815
66 1HB ARG 10 2HB ARG 10 5.303 5.022 3.477
67 2HB ARG 10 1HB ARG 10 5.849 3.355 3.344
68 1HG ARG 10 2HG ARG 10 7.402 3.951 1.611
69 2HG ARG 10 1HG ARG 10 6.790 5.604 1.578
70 1HD ARG 10 2HD ARG 10 7.427 5.546 4.125
71 2HD ARG 10 1HD ARG 10 8.501 4.247 3.608
72 HE ARG 10 HE ARG 10 9.072 6.193 1.848
73 1HH1 ARG 10 1HH1 ARG 10 8.846 6.194 5.332
74 2HH1 ARG 10 2HH1 ARG 10 10.012 7.459 5.530
75 1HH2 ARG 10 1HH2 ARG 10 10.608 7.851 2.109
76 2HH2 ARG 10 2HH2 ARG 10 11.013 8.400 3.701
77 H CYS 11 H CYS 11 6.392 2.379 1.031
78 HA CYS 11 HA CYS 11 4.985 -0.051 1.625
79 1HB CYS 11 2HB CYS 11 4.208 0.881 -0.719
80 2HB CYS 11 1HB CYS 11 5.744 0.216 -1.257
81 H ALA 12 H ALA 12 6.335 -1.985 0.746
82 HA ALA 12 HA ALA 12 9.097 -1.459 1.484
83 1HB ALA 12 1HB ALA 12 8.997 -3.485 2.389
84 2HB ALA 12 2HB ALA 12 8.609 -4.206 0.826
85 3HB ALA 12 3HB ALA 12 7.317 -3.603 1.865
86 H LYS 13 H LYS 13 10.636 -3.149 0.185
87 HA LYS 13 HA LYS 13 11.252 -2.018 -2.217
88 1HB LYS 13 2HB LYS 13 12.489 -3.821 -0.800
89 2HB LYS 13 1HB LYS 13 11.668 -4.960 -1.854
90 1HG LYS 13 2HG LYS 13 12.741 -4.076 -3.783
91 2HG LYS 13 1HG LYS 13 13.386 -2.712 -2.866
92 1HD LYS 13 2HD LYS 13 14.396 -4.753 -1.433
93 2HD LYS 13 1HD LYS 13 14.322 -5.510 -3.025
94 1HE LYS 13 2HE LYS 13 16.325 -4.545 -3.331
95 2HE LYS 13 1HE LYS 13 15.382 -3.088 -3.641
96 1HZ LYS 13 1HZ LYS 13 15.705 -2.367 -1.419
97 2HZ LYS 13 2HZ LYS 13 17.225 -2.811 -2.015
98 3HZ LYS 13 3HZ LYS 13 16.397 -3.841 -0.957
99 H TYR 14 H TYR 14 9.150 -4.838 -1.725
100 HA TYR 14 HA TYR 14 7.345 -4.279 -3.717
101 1HB TYR 14 2HB TYR 14 8.184 -6.151 -5.378
102 2HB TYR 14 1HB TYR 14 8.739 -4.490 -5.535
103 HD1 TYR 14 1HD TYR 14 9.823 -7.170 -3.174
104 HD2 TYR 14 2HD TYR 14 10.886 -4.621 -6.408
105 HE1 TYR 14 1HE TYR 14 12.150 -7.943 -3.008
106 HE2 TYR 14 2HE TYR 14 13.217 -5.387 -6.253
107 HH TYR 14 HH TYR 14 14.480 -7.286 -5.413
108 H GLY 15 H GLY 15 5.938 -6.126 -4.281
109 1HA GLY 15 2HA GLY 15 5.366 -8.457 -3.902
110 2HA GLY 15 1HA GLY 15 6.247 -8.369 -2.385
111 H TYR 16 H TYR 16 4.729 -8.826 -0.910
112 HA TYR 16 HA TYR 16 2.136 -7.478 -1.061
113 1HB TYR 16 2HB TYR 16 2.394 -10.001 -0.680
114 2HB TYR 16 1HB TYR 16 2.935 -9.583 0.942
115 HD1 TYR 16 1HD TYR 16 1.285 -7.828 2.158
116 HD2 TYR 16 2HD TYR 16 0.173 -10.545 -0.921
117 HE1 TYR 16 1HE TYR 16 -1.053 -7.716 2.911
118 HE2 TYR 16 2HE TYR 16 -2.168 -10.441 -0.177
119 HH TYR 16 HH TYR 16 -3.219 -8.186 2.291
120 H TYR 17 H TYR 17 1.452 -6.007 0.398
121 HA TYR 17 HA TYR 17 3.025 -5.528 2.811
122 1HB TYR 17 2HB TYR 17 3.682 -4.035 0.720
123 2HB TYR 17 1HB TYR 17 2.255 -3.127 1.209
124 HD1 TYR 17 1HD TYR 17 2.864 -1.201 2.318
125 HD2 TYR 17 2HD TYR 17 5.026 -4.780 3.103
126 HE1 TYR 17 1HE TYR 17 4.198 -0.016 4.011
127 HE2 TYR 17 2HE TYR 17 6.363 -3.606 4.800
128 HH TYR 17 HH TYR 17 7.000 -0.947 5.128
129 H GLN 18 H GLN 18 1.550 -5.747 4.358
130 HA GLN 18 HA GLN 18 -1.186 -5.614 4.139
131 1HB GLN 18 2HB GLN 18 0.477 -6.258 6.134
132 2HB GLN 18 1HB GLN 18 -0.012 -4.666 6.698
133 1HG GLN 18 2HG GLN 18 -2.378 -5.386 6.504
134 2HG GLN 18 1HG GLN 18 -1.805 -7.005 6.102
135 1HE2 GLN 18 1HE2 GLN 18 -3.449 -6.362 8.300
136 2HE2 GLN 18 2HE2 GLN 18 -2.573 -6.722 9.746
137 H GLU 19 H GLU 19 1.081 -2.989 4.550
138 HA GLU 19 HA GLU 19 -0.753 -1.004 5.363
139 1HB GLU 19 2HB GLU 19 2.020 -1.151 4.671
140 2HB GLU 19 1HB GLU 19 1.300 0.206 3.817
141 1HG GLU 19 2HG GLU 19 0.564 1.193 5.857
142 2HG GLU 19 1HG GLU 19 1.014 -0.243 6.776
143 H CYS 20 H CYS 20 0.577 -1.766 2.147
144 HA CYS 20 HA CYS 20 -0.905 0.129 0.717
145 1HB CYS 20 2HB CYS 20 1.081 -1.281 -0.073
146 2HB CYS 20 1HB CYS 20 -0.088 -2.556 -0.383
147 H GLN 21 H GLN 21 -1.544 -3.318 1.259
148 HA GLN 21 HA GLN 21 -3.934 -3.567 -0.110
149 1HB GLN 21 2HB GLN 21 -2.677 -4.966 2.189
150 2HB GLN 21 1HB GLN 21 -4.388 -5.259 1.921
151 1HG GLN 21 2HG GLN 21 -2.328 -5.572 -0.240
152 2HG GLN 21 1HG GLN 21 -2.777 -6.879 0.854
153 1HE2 GLN 21 1HE2 GLN 21 -5.460 -6.590 1.077
154 2HE2 GLN 21 2HE2 GLN 21 -6.219 -6.829 -0.456
155 H ASP 22 H ASP 22 -3.497 -2.770 3.332
156 HA ASP 22 HA ASP 22 -6.163 -2.474 4.028
157 1HB ASP 22 2HB ASP 22 -3.659 -1.183 5.088
158 2HB ASP 22 1HB ASP 22 -5.240 -0.867 5.798
159 H CYS 23 H CYS 23 -3.943 -0.141 2.603
160 HA CYS 23 HA CYS 23 -5.609 2.114 2.797
161 1HB CYS 23 2HB CYS 23 -3.054 1.733 2.076
162 2HB CYS 23 1HB CYS 23 -3.785 1.906 0.493
163 H CYS 24 H CYS 24 -4.938 0.031 0.005
164 HA CYS 24 HA CYS 24 -6.590 1.115 -1.866
165 1HB CYS 24 2HB CYS 24 -5.016 -0.888 -2.054
166 2HB CYS 24 1HB CYS 24 -6.362 -1.865 -1.485
167 H LYS 25 H LYS 25 -7.579 -1.618 0.223
168 HA LYS 25 HA LYS 25 -10.254 -1.660 -0.493
169 1HB LYS 25 2HB LYS 25 -9.242 -2.245 2.287
170 2HB LYS 25 1HB LYS 25 -10.663 -2.919 1.502
171 1HG LYS 25 2HG LYS 25 -9.088 -3.945 -0.185
172 2HG LYS 25 1HG LYS 25 -7.775 -3.479 0.897
173 1HD LYS 25 2HD LYS 25 -10.080 -4.986 2.028
174 2HD LYS 25 1HD LYS 25 -8.903 -5.861 1.046
175 1HE LYS 25 2HE LYS 25 -8.466 -5.829 3.534
176 2HE LYS 25 1HE LYS 25 -7.130 -5.312 2.507
177 1HZ LYS 25 1HZ LYS 25 -7.623 -3.033 2.991
178 2HZ LYS 25 2HZ LYS 25 -7.489 -3.870 4.456
179 3HZ LYS 25 3HZ LYS 25 -9.015 -3.457 3.856
180 H ASN 26 H ASN 26 -8.689 0.219 2.081
181 HA ASN 26 HA ASN 26 -11.000 1.336 3.191
182 1HB ASN 26 2HB ASN 26 -8.311 1.498 3.709
183 2HB ASN 26 1HB ASN 26 -8.671 3.123 3.144
184 1HD2 ASN 26 1HD2 ASN 26 -8.902 0.907 5.707
185 2HD2 ASN 26 2HD2 ASN 26 -9.793 1.904 6.802
186 H ALA 27 H ALA 27 -9.251 2.105 0.288
187 HA ALA 27 HA ALA 27 -10.447 4.698 -0.065
188 1HB ALA 27 1HB ALA 27 -8.236 4.148 -0.996
189 2HB ALA 27 2HB ALA 27 -9.366 4.691 -2.237
190 3HB ALA 27 3HB ALA 27 -8.996 2.975 -2.071
191 H GLY 28 H GLY 28 -11.116 1.419 -1.060
192 1HA GLY 28 2HA GLY 28 -13.619 1.121 -1.372
193 2HA GLY 28 1HA GLY 28 -13.436 2.368 -2.593
194 H HIS 29 H HIS 29 -11.197 -0.266 -1.933
195 HA HIS 29 HA HIS 29 -11.927 -1.483 -4.504
196 1HB HIS 29 2HB HIS 29 -9.231 -0.613 -3.515
197 2HB HIS 29 1HB HIS 29 -9.358 -1.938 -4.664
198 HD1 HIS 29 1HD HIS 29 -11.093 -1.131 -6.802
199 HD2 HIS 29 2HD HIS 29 -8.799 1.703 -4.808
200 HE1 HIS 29 1HE HIS 29 -10.931 0.828 -8.371
201 HE2 HIS 29 2HE HIS 29 -9.468 2.496 -7.177
202 H ASN 30 H ASN 30 -9.760 -3.458 -4.213
203 HA ASN 30 HA ASN 30 -10.846 -5.009 -1.960
204 1HB ASN 30 2HB ASN 30 -10.407 -5.734 -4.805
205 2HB ASN 30 1HB ASN 30 -10.010 -6.962 -3.608
206 1HD2 ASN 30 1HD2 ASN 30 -11.634 -7.872 -2.379
207 2HD2 ASN 30 2HD2 ASN 30 -13.308 -7.684 -2.764
208 H GLY 31 H GLY 31 -8.002 -4.331 -3.959
209 1HA GLY 31 2HA GLY 31 -6.229 -4.530 -1.782
210 2HA GLY 31 1HA GLY 31 -6.183 -6.025 -2.707
211 H GLY 32 H GLY 32 -3.885 -4.996 -2.741
212 1HA GLY 32 2HA GLY 32 -3.572 -3.899 -5.416
213 2HA GLY 32 1HA GLY 32 -2.978 -2.894 -4.103
214 H THR 33 H THR 33 -0.900 -3.123 -5.186
215 HA THR 33 HA THR 33 0.527 -5.451 -4.159
216 HB THR 33 HB THR 33 0.098 -6.195 -6.371
217 HG1 THR 33 1HG THR 33 2.650 -4.973 -6.484
218 1HG2 THR 33 1HG2 THR 33 1.223 -4.437 -8.160
219 2HG2 THR 33 2HG2 THR 33 0.304 -3.392 -7.075
220 3HG2 THR 33 3HG2 THR 33 -0.500 -4.720 -7.914
221 H CYS 34 H CYS 34 2.823 -5.144 -4.019
222 HA CYS 34 HA CYS 34 3.523 -2.322 -3.673
223 1HB CYS 34 2HB CYS 34 3.817 -4.157 -1.861
224 2HB CYS 34 1HB CYS 34 5.223 -4.641 -2.800
225 H MET 35 H MET 35 4.916 -1.309 -4.979
226 HA MET 35 HA MET 35 6.726 -2.904 -6.646
227 1HB MET 35 2HB MET 35 4.581 -1.052 -7.535
228 2HB MET 35 1HB MET 35 6.103 -0.998 -8.415
229 1HG MET 35 2HG MET 35 4.982 -3.680 -7.936
230 2HG MET 35 1HG MET 35 4.074 -2.640 -9.032
231 1HE MET 35 1HE MET 35 6.456 -1.548 -11.598
232 2HE MET 35 2HE MET 35 4.885 -1.444 -10.803
233 3HE MET 35 3HE MET 35 5.183 -2.695 -12.011
234 H PHE 36 H PHE 36 8.578 -2.263 -5.631
235 HA PHE 36 HA PHE 36 10.284 -0.943 -4.921
236 1HB PHE 36 2HB PHE 36 10.548 -0.699 -7.310
237 2HB PHE 36 1HB PHE 36 9.363 0.594 -7.343
238 HD1 PHE 36 1HD PHE 36 12.628 -0.304 -5.858
239 HD2 PHE 36 2HD PHE 36 10.072 2.803 -7.219
240 HE1 PHE 36 1HE PHE 36 14.444 1.324 -5.521
241 HE2 PHE 36 2HE PHE 36 11.877 4.443 -6.886
242 HZ PHE 36 HZ PHE 36 14.069 3.703 -6.037
243 H PHE 37 H PHE 37 8.665 -0.478 -3.079
244 HA PHE 37 HA PHE 37 7.966 0.968 -1.483
245 1HB PHE 37 2HB PHE 37 9.498 3.098 -2.971
246 2HB PHE 37 1HB PHE 37 9.111 3.049 -1.253
247 HD1 PHE 37 1HD PHE 37 9.782 0.128 -0.805
248 HD2 PHE 37 2HD PHE 37 11.852 3.251 -2.819
249 HE1 PHE 37 1HE PHE 37 11.916 -1.004 -0.352
250 HE2 PHE 37 2HE PHE 37 13.994 2.123 -2.372
251 HZ PHE 37 HZ PHE 37 14.025 -0.012 -1.139
252 H LYS 38 H LYS 38 6.646 0.896 -4.335
253 HA LYS 38 HA LYS 38 5.016 3.311 -3.952
254 1HB LYS 38 2HB LYS 38 6.229 2.226 -6.281
255 2HB LYS 38 1HB LYS 38 4.489 2.070 -6.473
256 1HG LYS 38 2HG LYS 38 4.156 4.378 -6.291
257 2HG LYS 38 1HG LYS 38 5.772 4.646 -5.637
258 1HD LYS 38 2HD LYS 38 6.525 3.621 -7.934
259 2HD LYS 38 1HD LYS 38 4.918 4.135 -8.449
260 1HE LYS 38 2HE LYS 38 5.835 6.339 -7.108
261 2HE LYS 38 1HE LYS 38 7.306 5.721 -7.859
262 1HZ LYS 38 1HZ LYS 38 6.413 5.961 -9.978
263 2HZ LYS 38 2HZ LYS 38 5.893 7.358 -9.178
264 3HZ LYS 38 3HZ LYS 38 4.821 6.071 -9.418
265 H CYS 39 H CYS 39 2.853 3.119 -3.654
266 HA CYS 39 HA CYS 39 1.833 0.392 -3.300
267 1HB CYS 39 2HB CYS 39 1.729 1.778 -1.309
268 2HB CYS 39 1HB CYS 39 0.858 3.029 -2.187
269 H LYS 40 H LYS 40 0.704 -0.375 -4.945
270 HA LYS 40 HA LYS 40 -1.104 1.463 -6.380
271 1HB LYS 40 2HB LYS 40 0.949 0.362 -7.595
272 2HB LYS 40 1HB LYS 40 -0.086 -1.058 -7.636
273 1HG LYS 40 2HG LYS 40 -1.744 0.102 -8.906
274 2HG LYS 40 1HG LYS 40 -0.890 1.634 -8.712
275 1HD LYS 40 2HD LYS 40 1.076 0.392 -9.863
276 2HD LYS 40 1HD LYS 40 -0.173 -0.733 -10.397
277 1HE LYS 40 2HE LYS 40 -0.552 2.205 -10.783
278 2HE LYS 40 1HE LYS 40 0.481 1.303 -11.891
279 1HZ LYS 40 1HZ LYS 40 -2.126 0.141 -11.346
280 2HZ LYS 40 2HZ LYS 40 -1.269 0.246 -12.801
281 3HZ LYS 40 3HZ LYS 40 -2.135 1.582 -12.231
282 H CYS 41 H CYS 41 -3.056 0.404 -7.289
283 HA CYS 41 HA CYS 41 -4.058 -1.600 -5.408
284 1HB CYS 41 2HB CYS 41 -5.291 0.587 -7.002
285 2HB CYS 41 1HB CYS 41 -6.269 -0.816 -6.648
286 H ALA 42 H ALA 42 -6.114 -2.699 -6.699
287 HA ALA 42 HA ALA 42 -4.789 -4.360 -8.690
288 1HB ALA 42 1HB ALA 42 -7.605 -4.861 -7.906
289 2HB ALA 42 2HB ALA 42 -6.363 -5.070 -6.672
290 3HB ALA 42 3HB ALA 42 -6.283 -5.996 -8.172
Start of MODEL 17
1 1H ASP 1 1HT ASP 1 -8.017 17.064 -3.064
2 2H ASP 1 2HT ASP 1 -8.523 16.127 -1.718
3 3H ASP 1 3HT ASP 1 -9.575 17.304 -2.391
4 HA ASP 1 HA ASP 1 -10.174 15.062 -3.000
5 1HB ASP 1 2HB ASP 1 -10.329 17.267 -4.444
6 2HB ASP 1 1HB ASP 1 -9.170 16.426 -5.470
7 H ARG 2 H ARG 2 -9.703 13.364 -4.681
8 HA ARG 2 HA ARG 2 -8.415 11.632 -5.377
9 1HB ARG 2 2HB ARG 2 -6.055 13.441 -5.667
10 2HB ARG 2 1HB ARG 2 -6.613 12.153 -6.722
11 1HG ARG 2 2HG ARG 2 -8.579 13.641 -7.285
12 2HG ARG 2 1HG ARG 2 -7.707 14.936 -6.463
13 1HD ARG 2 2HD ARG 2 -7.202 15.125 -8.774
14 2HD ARG 2 1HD ARG 2 -5.769 14.462 -7.990
15 HE ARG 2 HE ARG 2 -7.542 12.464 -9.058
16 1HH1 ARG 2 1HH1 ARG 2 -4.871 14.596 -9.763
17 2HH1 ARG 2 2HH1 ARG 2 -4.291 13.637 -11.083
18 1HH2 ARG 2 1HH2 ARG 2 -6.782 11.202 -10.793
19 2HH2 ARG 2 2HH2 ARG 2 -5.376 11.711 -11.668
20 H ASP 3 H ASP 3 -8.069 10.272 -3.732
21 HA ASP 3 HA ASP 3 -6.404 10.911 -1.499
22 1HB ASP 3 2HB ASP 3 -6.724 8.114 -1.553
23 2HB ASP 3 1HB ASP 3 -7.622 9.272 -0.584
24 H SER 4 H SER 4 -6.087 8.186 -3.777
25 HA SER 4 HA SER 4 -4.262 7.131 -4.632
26 1HB SER 4 2HB SER 4 -3.543 10.013 -4.672
27 2HB SER 4 1HB SER 4 -2.229 8.865 -4.921
28 HG SER 4 HG SER 4 -2.952 8.956 -6.910
29 H CYS 5 H CYS 5 -3.716 5.709 -3.032
30 HA CYS 5 HA CYS 5 -2.289 6.487 -0.682
31 1HB CYS 5 2HB CYS 5 -2.931 3.799 -1.895
32 2HB CYS 5 1HB CYS 5 -2.026 3.976 -0.395
33 H VAL 6 H VAL 6 -1.351 5.795 -3.892
34 HA VAL 6 HA VAL 6 1.124 4.593 -3.627
35 HB VAL 6 HB VAL 6 -0.152 5.266 -5.758
36 1HG1 VAL 6 1HG1 VAL 6 -0.226 7.670 -5.355
37 2HG1 VAL 6 2HG1 VAL 6 0.601 7.296 -6.868
38 3HG1 VAL 6 3HG1 VAL 6 1.535 7.741 -5.440
39 1HG2 VAL 6 1HG2 VAL 6 2.346 4.351 -5.333
40 2HG2 VAL 6 2HG2 VAL 6 2.697 5.830 -6.228
41 3HG2 VAL 6 3HG2 VAL 6 1.650 4.599 -6.934
42 H ASP 7 H ASP 7 0.332 8.037 -3.477
43 HA ASP 7 HA ASP 7 3.072 8.661 -2.671
44 1HB ASP 7 2HB ASP 7 1.412 9.995 -4.326
45 2HB ASP 7 1HB ASP 7 1.039 10.813 -2.812
46 H LYS 8 H LYS 8 -0.161 8.477 -1.390
47 HA LYS 8 HA LYS 8 0.367 9.916 1.019
48 1HB LYS 8 2HB LYS 8 -1.904 9.282 -0.178
49 2HB LYS 8 1HB LYS 8 -1.796 7.864 0.855
50 1HG LYS 8 2HG LYS 8 -2.392 9.007 2.671
51 2HG LYS 8 1HG LYS 8 -1.309 10.348 2.290
52 1HD LYS 8 2HD LYS 8 -3.303 11.425 2.057
53 2HD LYS 8 1HD LYS 8 -3.144 10.790 0.419
54 1HE LYS 8 2HE LYS 8 -5.204 9.970 0.777
55 2HE LYS 8 1HE LYS 8 -4.355 8.709 1.671
56 1HZ LYS 8 1HZ LYS 8 -4.992 11.119 3.164
57 2HZ LYS 8 2HZ LYS 8 -5.076 9.498 3.637
58 3HZ LYS 8 3HZ LYS 8 -6.316 10.171 2.704
59 H SER 9 H SER 9 -0.128 6.443 0.368
60 HA SER 9 HA SER 9 1.110 5.809 2.938
61 1HB SER 9 2HB SER 9 -0.990 4.677 2.444
62 2HB SER 9 1HB SER 9 -0.327 4.051 0.934
63 HG SER 9 HG SER 9 -0.276 2.840 3.194
64 H ARG 10 H ARG 10 2.945 4.551 3.156
65 HA ARG 10 HA ARG 10 4.693 4.514 0.829
66 1HB ARG 10 2HB ARG 10 5.435 5.443 3.038
67 2HB ARG 10 1HB ARG 10 5.324 3.816 3.699
68 1HG ARG 10 2HG ARG 10 7.175 3.092 2.608
69 2HG ARG 10 1HG ARG 10 6.968 4.216 1.264
70 1HD ARG 10 2HD ARG 10 7.714 5.122 4.033
71 2HD ARG 10 1HD ARG 10 8.919 4.652 2.835
72 HE ARG 10 HE ARG 10 7.051 6.631 1.901
73 1HH1 ARG 10 1HH1 ARG 10 10.072 6.098 3.565
74 2HH1 ARG 10 2HH1 ARG 10 10.692 7.673 3.204
75 1HH2 ARG 10 1HH2 ARG 10 7.867 8.702 1.421
76 2HH2 ARG 10 2HH2 ARG 10 9.441 9.152 1.988
77 H CYS 11 H CYS 11 6.148 2.573 0.591
78 HA CYS 11 HA CYS 11 4.924 0.060 1.419
79 1HB CYS 11 2HB CYS 11 4.128 0.939 -0.942
80 2HB CYS 11 1HB CYS 11 5.684 0.304 -1.460
81 H ALA 12 H ALA 12 6.324 -1.833 0.698
82 HA ALA 12 HA ALA 12 9.082 -1.181 1.344
83 1HB ALA 12 1HB ALA 12 8.980 -3.909 1.044
84 2HB ALA 12 2HB ALA 12 7.352 -3.516 1.598
85 3HB ALA 12 3HB ALA 12 8.751 -3.032 2.557
86 H LYS 13 H LYS 13 10.547 -3.101 0.134
87 HA LYS 13 HA LYS 13 11.186 -2.084 -2.327
88 1HB LYS 13 2HB LYS 13 12.381 -3.854 -0.823
89 2HB LYS 13 1HB LYS 13 11.530 -5.013 -1.830
90 1HG LYS 13 2HG LYS 13 12.689 -4.398 -3.744
91 2HG LYS 13 1HG LYS 13 13.173 -2.843 -3.065
92 1HD LYS 13 2HD LYS 13 14.796 -3.826 -1.684
93 2HD LYS 13 1HD LYS 13 14.110 -5.440 -1.882
94 1HE LYS 13 2HE LYS 13 15.008 -5.702 -3.997
95 2HE LYS 13 1HE LYS 13 15.154 -3.965 -4.262
96 1HZ LYS 13 1HZ LYS 13 16.788 -5.466 -2.292
97 2HZ LYS 13 2HZ LYS 13 17.006 -3.869 -2.801
98 3HZ LYS 13 3HZ LYS 13 17.293 -5.143 -3.875
99 H TYR 14 H TYR 14 9.093 -4.902 -1.711
100 HA TYR 14 HA TYR 14 7.267 -4.356 -3.717
101 1HB TYR 14 2HB TYR 14 8.037 -6.309 -5.294
102 2HB TYR 14 1HB TYR 14 8.696 -4.691 -5.499
103 HD1 TYR 14 1HD TYR 14 9.573 -7.369 -3.047
104 HD2 TYR 14 2HD TYR 14 10.849 -4.961 -6.313
105 HE1 TYR 14 1HE TYR 14 11.845 -8.274 -2.817
106 HE2 TYR 14 2HE TYR 14 13.127 -5.861 -6.093
107 HH TYR 14 HH TYR 14 14.087 -8.204 -5.060
108 H GLY 15 H GLY 15 5.847 -6.232 -4.239
109 1HA GLY 15 2HA GLY 15 5.167 -8.491 -3.735
110 2HA GLY 15 1HA GLY 15 6.070 -8.381 -2.233
111 H TYR 16 H TYR 16 4.177 -9.125 -1.144
112 HA TYR 16 HA TYR 16 1.809 -7.476 -1.168
113 1HB TYR 16 2HB TYR 16 1.441 -9.820 -0.964
114 2HB TYR 16 1HB TYR 16 2.598 -9.960 0.351
115 HD1 TYR 16 1HD TYR 16 0.202 -7.189 0.313
116 HD2 TYR 16 2HD TYR 16 0.971 -11.120 1.747
117 HE1 TYR 16 1HE TYR 16 -1.615 -6.941 1.953
118 HE2 TYR 16 2HE TYR 16 -0.845 -10.884 3.387
119 HH TYR 16 HH TYR 16 -3.061 -9.377 3.476
120 H TYR 17 H TYR 17 1.543 -5.736 0.028
121 HA TYR 17 HA TYR 17 2.949 -5.546 2.608
122 1HB TYR 17 2HB TYR 17 3.837 -4.025 0.753
123 2HB TYR 17 1HB TYR 17 2.307 -3.167 0.864
124 HD1 TYR 17 1HD TYR 17 2.948 -1.072 1.698
125 HD2 TYR 17 2HD TYR 17 4.326 -4.598 3.642
126 HE1 TYR 17 1HE TYR 17 3.856 0.300 3.530
127 HE2 TYR 17 2HE TYR 17 5.233 -3.239 5.478
128 HH TYR 17 HH TYR 17 5.499 0.174 5.280
129 H GLN 18 H GLN 18 1.290 -6.106 3.919
130 HA GLN 18 HA GLN 18 -1.375 -5.781 3.724
131 1HB GLN 18 2HB GLN 18 0.170 -6.678 5.671
132 2HB GLN 18 1HB GLN 18 -0.178 -5.103 6.367
133 1HG GLN 18 2HG GLN 18 -2.261 -5.675 6.916
134 2HG GLN 18 1HG GLN 18 -2.548 -6.473 5.370
135 1HE2 GLN 18 1HE2 GLN 18 -1.705 -6.863 8.666
136 2HE2 GLN 18 2HE2 GLN 18 -1.588 -8.587 8.667
137 H GLU 19 H GLU 19 0.912 -3.229 4.448
138 HA GLU 19 HA GLU 19 -0.906 -1.303 5.394
139 1HB GLU 19 2HB GLU 19 1.782 -1.386 5.139
140 2HB GLU 19 1HB GLU 19 1.383 -0.349 3.777
141 1HG GLU 19 2HG GLU 19 0.878 1.383 5.091
142 2HG GLU 19 1HG GLU 19 0.008 0.376 6.248
143 H CYS 20 H CYS 20 0.364 -1.891 2.126
144 HA CYS 20 HA CYS 20 -1.155 0.144 0.875
145 1HB CYS 20 2HB CYS 20 0.919 -1.391 0.085
146 2HB CYS 20 1HB CYS 20 -0.398 -2.230 -0.728
147 H GLN 21 H GLN 21 -1.696 -3.319 1.344
148 HA GLN 21 HA GLN 21 -3.987 -3.596 -0.230
149 1HB GLN 21 2HB GLN 21 -2.491 -5.219 1.490
150 2HB GLN 21 1HB GLN 21 -4.113 -5.221 2.170
151 1HG GLN 21 2HG GLN 21 -4.372 -5.559 -0.622
152 2HG GLN 21 1HG GLN 21 -3.104 -6.653 -0.072
153 1HE2 GLN 21 1HE2 GLN 21 -6.350 -5.559 0.855
154 2HE2 GLN 21 2HE2 GLN 21 -6.918 -7.112 1.356
155 H ASP 22 H ASP 22 -3.681 -2.808 3.221
156 HA ASP 22 HA ASP 22 -6.436 -2.632 3.755
157 1HB ASP 22 2HB ASP 22 -3.976 -1.558 5.097
158 2HB ASP 22 1HB ASP 22 -5.572 -1.075 5.664
159 H CYS 23 H CYS 23 -4.084 -0.258 2.633
160 HA CYS 23 HA CYS 23 -5.635 2.049 2.869
161 1HB CYS 23 2HB CYS 23 -3.120 1.586 2.117
162 2HB CYS 23 1HB CYS 23 -3.846 1.778 0.533
163 H CYS 24 H CYS 24 -5.061 0.133 -0.073
164 HA CYS 24 HA CYS 24 -6.848 1.395 -1.749
165 1HB CYS 24 2HB CYS 24 -5.134 -0.456 -2.250
166 2HB CYS 24 1HB CYS 24 -6.416 -1.581 -1.823
167 H LYS 25 H LYS 25 -7.497 -1.627 0.039
168 HA LYS 25 HA LYS 25 -10.140 -1.973 -0.568
169 1HB LYS 25 2HB LYS 25 -9.003 -3.650 0.677
170 2HB LYS 25 1HB LYS 25 -8.639 -2.535 1.985
171 1HG LYS 25 2HG LYS 25 -11.489 -3.085 1.343
172 2HG LYS 25 1HG LYS 25 -10.554 -4.316 2.197
173 1HD LYS 25 2HD LYS 25 -10.198 -1.614 3.258
174 2HD LYS 25 1HD LYS 25 -11.854 -2.210 3.371
175 1HE LYS 25 2HE LYS 25 -11.017 -3.030 5.330
176 2HE LYS 25 1HE LYS 25 -10.638 -4.379 4.260
177 1HZ LYS 25 1HZ LYS 25 -8.631 -2.276 4.492
178 2HZ LYS 25 2HZ LYS 25 -8.433 -3.949 4.348
179 3HZ LYS 25 3HZ LYS 25 -8.845 -3.274 5.842
180 H ASN 26 H ASN 26 -8.773 0.172 1.887
181 HA ASN 26 HA ASN 26 -11.290 0.966 2.966
182 1HB ASN 26 2HB ASN 26 -8.639 1.271 3.704
183 2HB ASN 26 1HB ASN 26 -9.132 2.906 3.283
184 1HD2 ASN 26 1HD2 ASN 26 -9.352 0.372 5.555
185 2HD2 ASN 26 2HD2 ASN 26 -10.389 1.165 6.685
186 H ALA 27 H ALA 27 -9.391 1.951 0.250
187 HA ALA 27 HA ALA 27 -10.564 4.544 -0.059
188 1HB ALA 27 1HB ALA 27 -8.319 3.680 -0.987
189 2HB ALA 27 2HB ALA 27 -9.297 4.742 -2.002
190 3HB ALA 27 3HB ALA 27 -9.293 3.003 -2.292
191 H GLY 28 H GLY 28 -11.318 1.313 -1.127
192 1HA GLY 28 2HA GLY 28 -13.836 1.148 -1.495
193 2HA GLY 28 1HA GLY 28 -13.543 2.359 -2.730
194 H HIS 29 H HIS 29 -11.404 -0.336 -2.008
195 HA HIS 29 HA HIS 29 -12.276 -1.693 -4.453
196 1HB HIS 29 2HB HIS 29 -9.361 -1.188 -3.855
197 2HB HIS 29 1HB HIS 29 -10.053 -1.867 -5.324
198 HD1 HIS 29 1HD HIS 29 -11.855 -0.017 -6.490
199 HD2 HIS 29 2HD HIS 29 -8.699 1.404 -4.191
200 HE1 HIS 29 1HE HIS 29 -11.545 2.380 -7.183
201 HE2 HIS 29 2HE HIS 29 -9.571 3.191 -5.843
202 H ASN 30 H ASN 30 -9.896 -3.481 -4.265
203 HA ASN 30 HA ASN 30 -10.838 -5.093 -1.996
204 1HB ASN 30 2HB ASN 30 -9.712 -5.805 -4.684
205 2HB ASN 30 1HB ASN 30 -9.598 -6.950 -3.350
206 1HD2 ASN 30 1HD2 ASN 30 -12.049 -4.752 -4.688
207 2HD2 ASN 30 2HD2 ASN 30 -13.326 -5.915 -4.699
208 H GLY 31 H GLY 31 -7.840 -4.390 -3.813
209 1HA GLY 31 2HA GLY 31 -6.357 -3.958 -1.412
210 2HA GLY 31 1HA GLY 31 -6.006 -5.533 -2.109
211 H GLY 32 H GLY 32 -3.823 -4.764 -2.371
212 1HA GLY 32 2HA GLY 32 -3.450 -3.565 -4.979
213 2HA GLY 32 1HA GLY 32 -2.847 -2.597 -3.643
214 H THR 33 H THR 33 -0.880 -3.038 -5.111
215 HA THR 33 HA THR 33 0.544 -5.335 -3.964
216 HB THR 33 HB THR 33 0.052 -6.092 -6.152
217 HG1 THR 33 1HG THR 33 2.608 -4.896 -6.378
218 1HG2 THR 33 1HG2 THR 33 0.982 -3.437 -7.218
219 2HG2 THR 33 2HG2 THR 33 -0.685 -4.009 -7.165
220 3HG2 THR 33 3HG2 THR 33 0.497 -4.833 -8.181
221 H CYS 34 H CYS 34 2.912 -5.113 -4.084
222 HA CYS 34 HA CYS 34 3.685 -2.303 -3.717
223 1HB CYS 34 2HB CYS 34 3.989 -4.214 -1.928
224 2HB CYS 34 1HB CYS 34 5.422 -4.585 -2.877
225 H MET 35 H MET 35 4.921 -1.356 -5.194
226 HA MET 35 HA MET 35 6.662 -3.033 -6.871
227 1HB MET 35 2HB MET 35 4.622 -1.014 -7.685
228 2HB MET 35 1HB MET 35 6.086 -1.160 -8.647
229 1HG MET 35 2HG MET 35 4.810 -3.716 -8.035
230 2HG MET 35 1HG MET 35 3.811 -2.621 -8.988
231 1HE MET 35 1HE MET 35 7.736 -4.550 -9.741
232 2HE MET 35 2HE MET 35 6.381 -5.610 -10.130
233 3HE MET 35 3HE MET 35 6.489 -4.865 -8.535
234 H PHE 36 H PHE 36 8.579 -2.485 -5.916
235 HA PHE 36 HA PHE 36 10.343 -1.225 -5.202
236 1HB PHE 36 2HB PHE 36 10.608 -1.141 -7.617
237 2HB PHE 36 1HB PHE 36 9.550 0.256 -7.707
238 HD1 PHE 36 1HD PHE 36 12.800 -0.932 -6.453
239 HD2 PHE 36 2HD PHE 36 10.391 2.437 -7.403
240 HE1 PHE 36 1HE PHE 36 14.760 0.534 -6.190
241 HE2 PHE 36 2HE PHE 36 12.343 3.914 -7.145
242 HZ PHE 36 HZ PHE 36 14.533 2.961 -6.537
243 H PHE 37 H PHE 37 9.014 -0.513 -3.326
244 HA PHE 37 HA PHE 37 8.289 1.067 -1.867
245 1HB PHE 37 2HB PHE 37 9.996 2.950 -3.499
246 2HB PHE 37 1HB PHE 37 9.548 3.117 -1.804
247 HD1 PHE 37 1HD PHE 37 9.981 0.084 -1.230
248 HD2 PHE 37 2HD PHE 37 12.363 3.097 -3.057
249 HE1 PHE 37 1HE PHE 37 12.012 -1.133 -0.569
250 HE2 PHE 37 2HE PHE 37 14.403 1.883 -2.402
251 HZ PHE 37 HZ PHE 37 14.226 -0.238 -1.158
252 H LYS 38 H LYS 38 6.851 0.761 -4.536
253 HA LYS 38 HA LYS 38 5.434 3.342 -4.465
254 1HB LYS 38 2HB LYS 38 6.656 2.349 -6.644
255 2HB LYS 38 1HB LYS 38 5.094 1.560 -6.814
256 1HG LYS 38 2HG LYS 38 4.034 3.822 -6.602
257 2HG LYS 38 1HG LYS 38 5.656 4.511 -6.696
258 1HD LYS 38 2HD LYS 38 5.983 3.555 -8.888
259 2HD LYS 38 1HD LYS 38 4.437 2.711 -8.788
260 1HE LYS 38 2HE LYS 38 3.761 4.516 -9.991
261 2HE LYS 38 1HE LYS 38 3.557 5.183 -8.372
262 1HZ LYS 38 1HZ LYS 38 5.479 5.874 -10.431
263 2HZ LYS 38 2HZ LYS 38 6.105 5.798 -8.861
264 3HZ LYS 38 3HZ LYS 38 4.810 6.832 -9.205
265 H CYS 39 H CYS 39 3.388 3.302 -3.811
266 HA CYS 39 HA CYS 39 2.164 0.734 -3.224
267 1HB CYS 39 2HB CYS 39 2.150 3.254 -1.988
268 2HB CYS 39 1HB CYS 39 0.509 3.016 -2.580
269 H LYS 40 H LYS 40 0.978 -0.227 -4.720
270 HA LYS 40 HA LYS 40 -0.737 1.445 -6.439
271 1HB LYS 40 2HB LYS 40 1.335 0.014 -7.384
272 2HB LYS 40 1HB LYS 40 0.096 -1.233 -7.412
273 1HG LYS 40 2HG LYS 40 -0.297 -0.412 -9.464
274 2HG LYS 40 1HG LYS 40 -1.249 0.781 -8.579
275 1HD LYS 40 2HD LYS 40 0.015 2.307 -9.622
276 2HD LYS 40 1HD LYS 40 1.277 1.845 -8.480
277 1HE LYS 40 2HE LYS 40 2.504 0.849 -10.067
278 2HE LYS 40 1HE LYS 40 1.097 0.079 -10.799
279 1HZ LYS 40 1HZ LYS 40 0.693 2.598 -11.521
280 2HZ LYS 40 2HZ LYS 40 1.576 1.502 -12.458
281 3HZ LYS 40 3HZ LYS 40 2.384 2.600 -11.457
282 H CYS 41 H CYS 41 -2.669 0.260 -7.280
283 HA CYS 41 HA CYS 41 -3.787 -1.392 -5.143
284 1HB CYS 41 2HB CYS 41 -4.902 0.512 -7.132
285 2HB CYS 41 1HB CYS 41 -5.922 -0.813 -6.623
286 H ALA 42 H ALA 42 -5.807 -2.667 -6.364
287 HA ALA 42 HA ALA 42 -4.411 -4.491 -8.204
288 1HB ALA 42 1HB ALA 42 -5.016 -5.900 -6.538
289 2HB ALA 42 2HB ALA 42 -6.527 -5.942 -7.447
290 3HB ALA 42 3HB ALA 42 -6.376 -4.897 -6.033
Start of MODEL 18
1 1H ASP 1 1HT ASP 1 -8.002 18.203 -4.752
2 2H ASP 1 2HT ASP 1 -8.413 16.796 -3.859
3 3H ASP 1 3HT ASP 1 -8.225 16.710 -5.563
4 HA ASP 1 HA ASP 1 -5.892 17.490 -5.176
5 1HB ASP 1 2HB ASP 1 -6.718 16.610 -2.400
6 2HB ASP 1 1HB ASP 1 -5.049 16.857 -2.904
7 H ARG 2 H ARG 2 -7.989 14.859 -4.204
8 HA ARG 2 HA ARG 2 -7.971 12.648 -4.714
9 1HB ARG 2 2HB ARG 2 -6.840 13.705 -6.879
10 2HB ARG 2 1HB ARG 2 -5.459 12.798 -6.289
11 1HG ARG 2 2HG ARG 2 -8.180 11.620 -6.813
12 2HG ARG 2 1HG ARG 2 -6.833 11.580 -7.951
13 1HD ARG 2 2HD ARG 2 -5.793 10.631 -5.535
14 2HD ARG 2 1HD ARG 2 -7.381 9.880 -5.689
15 HE ARG 2 HE ARG 2 -5.703 9.755 -8.047
16 1HH1 ARG 2 1HH1 ARG 2 -6.760 8.151 -5.129
17 2HH1 ARG 2 2HH1 ARG 2 -6.315 6.574 -5.688
18 1HH2 ARG 2 1HH2 ARG 2 -5.118 7.682 -8.779
19 2HH2 ARG 2 2HH2 ARG 2 -5.383 6.307 -7.758
20 H ASP 3 H ASP 3 -7.517 11.418 -3.092
21 HA ASP 3 HA ASP 3 -5.355 11.648 -1.355
22 1HB ASP 3 2HB ASP 3 -7.665 10.219 -1.340
23 2HB ASP 3 1HB ASP 3 -6.492 8.934 -1.618
24 H SER 4 H SER 4 -5.863 8.840 -3.492
25 HA SER 4 HA SER 4 -4.407 7.478 -4.585
26 1HB SER 4 2HB SER 4 -3.858 9.558 -5.802
27 2HB SER 4 1HB SER 4 -2.625 9.926 -4.596
28 HG SER 4 HG SER 4 -2.684 7.710 -6.367
29 H CYS 5 H CYS 5 -4.029 6.038 -2.912
30 HA CYS 5 HA CYS 5 -2.296 6.437 -0.754
31 1HB CYS 5 2HB CYS 5 -3.276 3.945 -2.136
32 2HB CYS 5 1HB CYS 5 -2.205 3.873 -0.740
33 H VAL 6 H VAL 6 -1.657 5.659 -4.067
34 HA VAL 6 HA VAL 6 0.756 4.374 -4.025
35 HB VAL 6 HB VAL 6 0.167 6.659 -5.871
36 1HG1 VAL 6 1HG1 VAL 6 1.421 5.091 -7.462
37 2HG1 VAL 6 2HG1 VAL 6 1.953 4.261 -6.000
38 3HG1 VAL 6 3HG1 VAL 6 2.359 5.960 -6.247
39 1HG2 VAL 6 1HG2 VAL 6 -1.565 5.556 -6.713
40 2HG2 VAL 6 2HG2 VAL 6 -1.366 4.309 -5.481
41 3HG2 VAL 6 3HG2 VAL 6 -0.533 4.160 -7.029
42 H ASP 7 H ASP 7 0.101 7.684 -3.172
43 HA ASP 7 HA ASP 7 2.982 8.120 -2.734
44 1HB ASP 7 2HB ASP 7 1.877 9.652 -4.377
45 2HB ASP 7 1HB ASP 7 0.848 10.236 -3.073
46 H LYS 8 H LYS 8 -0.182 8.128 -1.292
47 HA LYS 8 HA LYS 8 0.456 9.548 1.070
48 1HB LYS 8 2HB LYS 8 -1.848 8.650 -0.016
49 2HB LYS 8 1HB LYS 8 -1.605 7.429 1.224
50 1HG LYS 8 2HG LYS 8 -1.228 10.180 2.153
51 2HG LYS 8 1HG LYS 8 -2.861 9.807 1.597
52 1HD LYS 8 2HD LYS 8 -1.477 7.901 3.427
53 2HD LYS 8 1HD LYS 8 -2.162 9.385 4.092
54 1HE LYS 8 2HE LYS 8 -4.089 8.250 2.350
55 2HE LYS 8 1HE LYS 8 -3.485 6.961 3.390
56 1HZ LYS 8 1HZ LYS 8 -3.843 8.873 5.183
57 2HZ LYS 8 2HZ LYS 8 -5.060 7.777 4.760
58 3HZ LYS 8 3HZ LYS 8 -5.040 9.323 4.074
59 H SER 9 H SER 9 -0.227 6.057 0.797
60 HA SER 9 HA SER 9 1.178 5.511 3.238
61 1HB SER 9 2HB SER 9 -0.869 4.265 2.136
62 2HB SER 9 1HB SER 9 0.399 3.342 1.330
63 HG SER 9 HG SER 9 1.247 2.887 3.431
64 H ARG 10 H ARG 10 2.937 3.954 3.417
65 HA ARG 10 HA ARG 10 4.894 4.342 1.272
66 1HB ARG 10 2HB ARG 10 5.611 5.057 3.479
67 2HB ARG 10 1HB ARG 10 5.226 3.477 4.149
68 1HG ARG 10 2HG ARG 10 7.207 2.658 3.583
69 2HG ARG 10 1HG ARG 10 7.067 3.262 1.932
70 1HD ARG 10 2HD ARG 10 7.787 5.042 4.245
71 2HD ARG 10 1HD ARG 10 9.001 4.150 3.327
72 HE ARG 10 HE ARG 10 7.237 5.739 1.700
73 1HH1 ARG 10 1HH1 ARG 10 10.191 5.729 3.561
74 2HH1 ARG 10 2HH1 ARG 10 10.882 7.065 2.703
75 1HH2 ARG 10 1HH2 ARG 10 8.145 7.496 0.572
76 2HH2 ARG 10 2HH2 ARG 10 9.720 8.069 1.008
77 H CYS 11 H CYS 11 6.052 2.622 0.381
78 HA CYS 11 HA CYS 11 4.931 -0.053 0.904
79 1HB CYS 11 2HB CYS 11 5.065 1.468 -1.555
80 2HB CYS 11 1HB CYS 11 5.930 -0.057 -1.715
81 H ALA 12 H ALA 12 6.378 -1.847 0.341
82 HA ALA 12 HA ALA 12 9.103 -1.248 1.176
83 1HB ALA 12 1HB ALA 12 8.922 -3.987 0.774
84 2HB ALA 12 2HB ALA 12 7.321 -3.527 1.357
85 3HB ALA 12 3HB ALA 12 8.753 -3.136 2.310
86 H LYS 13 H LYS 13 10.670 -3.078 0.010
87 HA LYS 13 HA LYS 13 11.381 -2.050 -2.415
88 1HB LYS 13 2HB LYS 13 12.408 -3.888 -0.772
89 2HB LYS 13 1HB LYS 13 11.786 -4.956 -2.015
90 1HG LYS 13 2HG LYS 13 13.172 -4.025 -3.664
91 2HG LYS 13 1HG LYS 13 13.545 -2.620 -2.665
92 1HD LYS 13 2HD LYS 13 14.431 -5.464 -2.194
93 2HD LYS 13 1HD LYS 13 15.437 -4.105 -2.687
94 1HE LYS 13 2HE LYS 13 15.892 -3.925 -0.498
95 2HE LYS 13 1HE LYS 13 14.320 -3.129 -0.416
96 1HZ LYS 13 1HZ LYS 13 13.473 -5.550 -0.116
97 2HZ LYS 13 2HZ LYS 13 14.128 -4.719 1.205
98 3HZ LYS 13 3HZ LYS 13 15.063 -5.860 0.376
99 H TYR 14 H TYR 14 9.412 -4.969 -1.875
100 HA TYR 14 HA TYR 14 7.593 -4.504 -3.910
101 1HB TYR 14 2HB TYR 14 8.590 -6.522 -5.392
102 2HB TYR 14 1HB TYR 14 8.903 -4.826 -5.734
103 HD1 TYR 14 1HD TYR 14 10.350 -7.205 -3.236
104 HD2 TYR 14 2HD TYR 14 11.063 -4.602 -6.524
105 HE1 TYR 14 1HE TYR 14 12.765 -7.624 -3.036
106 HE2 TYR 14 2HE TYR 14 13.479 -5.012 -6.334
107 HH TYR 14 HH TYR 14 14.947 -6.959 -5.380
108 H GLY 15 H GLY 15 6.038 -6.130 -4.098
109 1HA GLY 15 2HA GLY 15 5.538 -8.541 -3.726
110 2HA GLY 15 1HA GLY 15 6.414 -8.379 -2.213
111 H TYR 16 H TYR 16 4.762 -8.943 -0.861
112 HA TYR 16 HA TYR 16 2.216 -7.542 -1.043
113 1HB TYR 16 2HB TYR 16 2.487 -10.051 -0.564
114 2HB TYR 16 1HB TYR 16 2.982 -9.566 1.052
115 HD1 TYR 16 1HD TYR 16 1.331 -8.054 2.362
116 HD2 TYR 16 2HD TYR 16 0.232 -10.350 -1.047
117 HE1 TYR 16 1HE TYR 16 -1.027 -7.934 3.049
118 HE2 TYR 16 2HE TYR 16 -2.128 -10.240 -0.368
119 HH TYR 16 HH TYR 16 -3.587 -8.816 1.001
120 H TYR 17 H TYR 17 1.299 -6.388 0.714
121 HA TYR 17 HA TYR 17 2.857 -5.729 3.030
122 1HB TYR 17 2HB TYR 17 3.669 -4.285 0.976
123 2HB TYR 17 1HB TYR 17 2.224 -3.346 1.338
124 HD1 TYR 17 1HD TYR 17 2.946 -1.361 2.302
125 HD2 TYR 17 2HD TYR 17 4.666 -5.029 3.605
126 HE1 TYR 17 1HE TYR 17 4.176 -0.155 4.057
127 HE2 TYR 17 2HE TYR 17 5.899 -3.832 5.364
128 HH TYR 17 HH TYR 17 6.728 -1.193 5.560
129 H GLN 18 H GLN 18 1.338 -5.806 4.540
130 HA GLN 18 HA GLN 18 -1.396 -5.650 4.163
131 1HB GLN 18 2HB GLN 18 0.158 -6.297 6.249
132 2HB GLN 18 1HB GLN 18 -0.345 -4.695 6.769
133 1HG GLN 18 2HG GLN 18 -2.511 -5.315 7.064
134 2HG GLN 18 1HG GLN 18 -2.447 -6.544 5.802
135 1HE2 GLN 18 1HE2 GLN 18 -1.011 -5.835 8.970
136 2HE2 GLN 18 2HE2 GLN 18 -1.091 -7.456 9.560
137 H GLU 19 H GLU 19 0.909 -3.071 4.556
138 HA GLU 19 HA GLU 19 -0.858 -1.023 5.336
139 1HB GLU 19 2HB GLU 19 1.840 -1.203 4.948
140 2HB GLU 19 1HB GLU 19 1.359 -0.217 3.574
141 1HG GLU 19 2HG GLU 19 0.823 1.556 4.857
142 2HG GLU 19 1HG GLU 19 0.230 0.558 6.184
143 H CYS 20 H CYS 20 0.572 -1.498 2.098
144 HA CYS 20 HA CYS 20 -1.057 0.253 0.710
145 1HB CYS 20 2HB CYS 20 1.002 -1.067 -0.092
146 2HB CYS 20 1HB CYS 20 -0.127 -2.360 -0.467
147 H GLN 21 H GLN 21 -1.534 -3.200 1.300
148 HA GLN 21 HA GLN 21 -3.861 -3.633 -0.125
149 1HB GLN 21 2HB GLN 21 -2.542 -4.886 2.197
150 2HB GLN 21 1HB GLN 21 -4.263 -5.209 2.062
151 1HG GLN 21 2HG GLN 21 -2.220 -5.716 -0.089
152 2HG GLN 21 1HG GLN 21 -2.897 -6.931 0.991
153 1HE2 GLN 21 1HE2 GLN 21 -5.531 -6.286 1.036
154 2HE2 GLN 21 2HE2 GLN 21 -6.220 -6.470 -0.537
155 H ASP 22 H ASP 22 -3.635 -2.760 3.328
156 HA ASP 22 HA ASP 22 -6.375 -2.487 3.781
157 1HB ASP 22 2HB ASP 22 -3.900 -1.604 5.151
158 2HB ASP 22 1HB ASP 22 -5.379 -0.746 5.580
159 H CYS 23 H CYS 23 -4.001 -0.150 2.626
160 HA CYS 23 HA CYS 23 -5.537 2.166 2.780
161 1HB CYS 23 2HB CYS 23 -3.023 1.643 2.040
162 2HB CYS 23 1HB CYS 23 -3.751 1.831 0.457
163 H CYS 24 H CYS 24 -5.011 0.091 -0.052
164 HA CYS 24 HA CYS 24 -6.749 1.334 -1.804
165 1HB CYS 24 2HB CYS 24 -5.071 -0.569 -2.218
166 2HB CYS 24 1HB CYS 24 -6.378 -1.649 -1.752
167 H LYS 25 H LYS 25 -7.491 -1.658 0.003
168 HA LYS 25 HA LYS 25 -10.138 -1.911 -0.618
169 1HB LYS 25 2HB LYS 25 -10.410 -3.184 1.433
170 2HB LYS 25 1HB LYS 25 -8.864 -3.559 0.684
171 1HG LYS 25 2HG LYS 25 -7.680 -2.266 2.288
172 2HG LYS 25 1HG LYS 25 -9.176 -1.585 2.931
173 1HD LYS 25 2HD LYS 25 -9.031 -4.522 2.949
174 2HD LYS 25 1HD LYS 25 -7.873 -3.711 4.003
175 1HE LYS 25 2HE LYS 25 -10.840 -3.180 3.987
176 2HE LYS 25 1HE LYS 25 -10.026 -4.263 5.114
177 1HZ LYS 25 1HZ LYS 25 -8.958 -1.564 4.920
178 2HZ LYS 25 2HZ LYS 25 -9.165 -2.551 6.277
179 3HZ LYS 25 3HZ LYS 25 -10.484 -1.710 5.636
180 H ASN 26 H ASN 26 -8.735 0.229 1.810
181 HA ASN 26 HA ASN 26 -11.269 1.051 2.868
182 1HB ASN 26 2HB ASN 26 -8.632 1.271 3.687
183 2HB ASN 26 1HB ASN 26 -9.072 2.926 3.284
184 1HD2 ASN 26 1HD2 ASN 26 -9.323 0.417 5.545
185 2HD2 ASN 26 2HD2 ASN 26 -10.412 1.188 6.643
186 H ALA 27 H ALA 27 -9.274 2.004 0.216
187 HA ALA 27 HA ALA 27 -10.333 4.645 -0.087
188 1HB ALA 27 1HB ALA 27 -8.153 3.410 -1.077
189 2HB ALA 27 2HB ALA 27 -8.853 4.868 -1.778
190 3HB ALA 27 3HB ALA 27 -9.235 3.290 -2.465
191 H GLY 28 H GLY 28 -11.200 1.462 -1.219
192 1HA GLY 28 2HA GLY 28 -13.728 1.429 -1.619
193 2HA GLY 28 1HA GLY 28 -13.345 2.617 -2.853
194 H HIS 29 H HIS 29 -11.361 -0.180 -2.079
195 HA HIS 29 HA HIS 29 -12.289 -1.547 -4.488
196 1HB HIS 29 2HB HIS 29 -9.341 -1.145 -4.023
197 2HB HIS 29 1HB HIS 29 -10.146 -1.720 -5.478
198 HD1 HIS 29 1HD HIS 29 -11.930 0.300 -6.422
199 HD2 HIS 29 2HD HIS 29 -8.509 1.396 -4.332
200 HE1 HIS 29 1HE HIS 29 -11.506 2.701 -7.039
201 HE2 HIS 29 2HE HIS 29 -9.388 3.318 -5.822
202 H ASN 30 H ASN 30 -9.927 -3.352 -4.350
203 HA ASN 30 HA ASN 30 -10.792 -4.906 -2.012
204 1HB ASN 30 2HB ASN 30 -11.064 -5.833 -4.388
205 2HB ASN 30 1HB ASN 30 -9.311 -6.003 -4.397
206 1HD2 ASN 30 1HD2 ASN 30 -11.973 -6.672 -2.141
207 2HD2 ASN 30 2HD2 ASN 30 -11.462 -8.275 -1.750
208 H GLY 31 H GLY 31 -7.877 -4.202 -3.949
209 1HA GLY 31 2HA GLY 31 -6.258 -3.634 -1.726
210 2HA GLY 31 1HA GLY 31 -6.034 -5.324 -2.151
211 H GLY 32 H GLY 32 -3.861 -4.949 -2.708
212 1HA GLY 32 2HA GLY 32 -3.424 -4.371 -5.440
213 2HA GLY 32 1HA GLY 32 -2.923 -2.998 -4.465
214 H THR 33 H THR 33 -0.750 -3.245 -5.033
215 HA THR 33 HA THR 33 0.655 -5.224 -3.445
216 HB THR 33 HB THR 33 0.419 -6.487 -5.459
217 HG1 THR 33 1HG THR 33 2.519 -6.512 -4.597
218 1HG2 THR 33 1HG2 THR 33 1.101 -3.939 -6.840
219 2HG2 THR 33 2HG2 THR 33 -0.173 -5.107 -7.193
220 3HG2 THR 33 3HG2 THR 33 1.503 -5.482 -7.593
221 H CYS 34 H CYS 34 2.971 -4.792 -3.305
222 HA CYS 34 HA CYS 34 3.498 -1.939 -3.459
223 1HB CYS 34 2HB CYS 34 4.545 -4.239 -1.897
224 2HB CYS 34 1HB CYS 34 5.656 -2.924 -2.220
225 H MET 35 H MET 35 4.476 -1.185 -5.211
226 HA MET 35 HA MET 35 6.429 -2.895 -6.600
227 1HB MET 35 2HB MET 35 4.371 -0.971 -7.599
228 2HB MET 35 1HB MET 35 5.842 -1.207 -8.535
229 1HG MET 35 2HG MET 35 5.324 -3.378 -9.062
230 2HG MET 35 1HG MET 35 4.292 -3.589 -7.650
231 1HE MET 35 1HE MET 35 4.311 -0.539 -9.890
232 2HE MET 35 2HE MET 35 2.923 -0.728 -10.961
233 3HE MET 35 3HE MET 35 4.394 -1.657 -11.253
234 H PHE 36 H PHE 36 8.374 -2.244 -5.850
235 HA PHE 36 HA PHE 36 10.137 -0.918 -5.291
236 1HB PHE 36 2HB PHE 36 10.248 -0.734 -7.692
237 2HB PHE 36 1HB PHE 36 9.043 0.540 -7.692
238 HD1 PHE 36 1HD PHE 36 12.407 -0.252 -6.370
239 HD2 PHE 36 2HD PHE 36 9.729 2.753 -7.725
240 HE1 PHE 36 1HE PHE 36 14.215 1.414 -6.217
241 HE2 PHE 36 2HE PHE 36 11.524 4.430 -7.579
242 HZ PHE 36 HZ PHE 36 13.772 3.761 -6.824
243 H PHE 37 H PHE 37 8.680 -0.384 -3.346
244 HA PHE 37 HA PHE 37 8.073 1.109 -1.752
245 1HB PHE 37 2HB PHE 37 9.586 3.143 -3.393
246 2HB PHE 37 1HB PHE 37 9.247 3.203 -1.665
247 HD1 PHE 37 1HD PHE 37 9.853 0.242 -1.150
248 HD2 PHE 37 2HD PHE 37 11.956 3.300 -3.231
249 HE1 PHE 37 1HE PHE 37 11.975 -0.912 -0.690
250 HE2 PHE 37 2HE PHE 37 14.084 2.148 -2.778
251 HZ PHE 37 HZ PHE 37 14.093 0.037 -1.506
252 H LYS 38 H LYS 38 6.526 0.924 -4.423
253 HA LYS 38 HA LYS 38 4.981 3.405 -4.051
254 1HB LYS 38 2HB LYS 38 6.091 2.330 -6.400
255 2HB LYS 38 1HB LYS 38 4.361 2.040 -6.518
256 1HG LYS 38 2HG LYS 38 3.940 4.413 -6.145
257 2HG LYS 38 1HG LYS 38 5.675 4.703 -6.019
258 1HD LYS 38 2HD LYS 38 5.851 3.677 -8.344
259 2HD LYS 38 1HD LYS 38 4.096 3.838 -8.426
260 1HE LYS 38 2HE LYS 38 6.121 6.041 -8.075
261 2HE LYS 38 1HE LYS 38 5.092 5.752 -9.477
262 1HZ LYS 38 1HZ LYS 38 4.201 7.530 -8.148
263 2HZ LYS 38 2HZ LYS 38 4.182 6.555 -6.767
264 3HZ LYS 38 3HZ LYS 38 3.157 6.201 -8.064
265 H CYS 39 H CYS 39 2.768 3.252 -3.784
266 HA CYS 39 HA CYS 39 1.787 0.557 -3.174
267 1HB CYS 39 2HB CYS 39 1.640 2.187 -1.358
268 2HB CYS 39 1HB CYS 39 0.697 3.265 -2.380
269 H LYS 40 H LYS 40 1.065 -0.271 -5.081
270 HA LYS 40 HA LYS 40 -0.840 1.339 -6.634
271 1HB LYS 40 2HB LYS 40 1.100 0.405 -7.853
272 2HB LYS 40 1HB LYS 40 0.585 -1.215 -7.406
273 1HG LYS 40 2HG LYS 40 -1.450 -0.958 -8.687
274 2HG LYS 40 1HG LYS 40 -1.022 0.710 -9.075
275 1HD LYS 40 2HD LYS 40 1.059 -0.187 -10.164
276 2HD LYS 40 1HD LYS 40 0.390 -1.806 -9.948
277 1HE LYS 40 2HE LYS 40 -0.254 -1.270 -12.110
278 2HE LYS 40 1HE LYS 40 -1.683 -0.856 -11.164
279 1HZ LYS 40 1HZ LYS 40 0.145 0.872 -12.613
280 2HZ LYS 40 2HZ LYS 40 -0.372 1.456 -11.112
281 3HZ LYS 40 3HZ LYS 40 -1.507 1.060 -12.302
282 H CYS 41 H CYS 41 -2.829 0.391 -7.341
283 HA CYS 41 HA CYS 41 -3.883 -1.529 -5.415
284 1HB CYS 41 2HB CYS 41 -5.047 0.588 -7.160
285 2HB CYS 41 1HB CYS 41 -6.064 -0.753 -6.684
286 H ALA 42 H ALA 42 -5.959 -2.637 -6.686
287 HA ALA 42 HA ALA 42 -5.091 -3.762 -9.222
288 1HB ALA 42 1HB ALA 42 -5.002 -5.240 -6.664
289 2HB ALA 42 2HB ALA 42 -4.040 -5.441 -8.129
290 3HB ALA 42 3HB ALA 42 -5.674 -6.098 -8.050
Start of MODEL 19
1 1H ASP 1 1HT ASP 1 -13.017 13.384 -0.582
2 2H ASP 1 2HT ASP 1 -11.703 12.336 -0.927
3 3H ASP 1 3HT ASP 1 -13.083 12.350 -1.947
4 HA ASP 1 HA ASP 1 -12.611 14.449 -2.753
5 1HB ASP 1 2HB ASP 1 -10.687 14.503 -0.436
6 2HB ASP 1 1HB ASP 1 -10.499 15.605 -1.797
7 H ARG 2 H ARG 2 -9.812 12.592 -1.545
8 HA ARG 2 HA ARG 2 -9.188 11.373 -3.973
9 1HB ARG 2 2HB ARG 2 -8.688 13.637 -4.759
10 2HB ARG 2 1HB ARG 2 -7.568 13.868 -3.425
11 1HG ARG 2 2HG ARG 2 -6.081 13.313 -5.038
12 2HG ARG 2 1HG ARG 2 -6.474 11.688 -4.475
13 1HD ARG 2 2HD ARG 2 -8.288 12.704 -6.532
14 2HD ARG 2 1HD ARG 2 -6.616 12.549 -7.069
15 HE ARG 2 HE ARG 2 -7.473 10.214 -5.700
16 1HH1 ARG 2 1HH1 ARG 2 -7.736 11.884 -8.752
17 2HH1 ARG 2 2HH1 ARG 2 -8.029 10.439 -9.660
18 1HH2 ARG 2 1HH2 ARG 2 -7.859 8.312 -6.892
19 2HH2 ARG 2 2HH2 ARG 2 -8.100 8.410 -8.604
20 H ASP 3 H ASP 3 -8.435 9.591 -3.060
21 HA ASP 3 HA ASP 3 -6.798 9.690 -0.680
22 1HB ASP 3 2HB ASP 3 -6.806 7.047 -1.576
23 2HB ASP 3 1HB ASP 3 -7.838 7.739 -0.334
24 H SER 4 H SER 4 -6.280 7.654 -3.539
25 HA SER 4 HA SER 4 -4.393 7.112 -4.689
26 1HB SER 4 2HB SER 4 -4.637 9.510 -5.364
27 2HB SER 4 1HB SER 4 -3.529 9.943 -4.062
28 HG SER 4 HG SER 4 -2.862 8.083 -6.088
29 H CYS 5 H CYS 5 -3.971 5.716 -2.763
30 HA CYS 5 HA CYS 5 -2.149 6.476 -0.752
31 1HB CYS 5 2HB CYS 5 -2.787 3.721 -1.824
32 2HB CYS 5 1HB CYS 5 -1.926 4.052 -0.325
33 H VAL 6 H VAL 6 -1.672 5.708 -4.052
34 HA VAL 6 HA VAL 6 0.800 4.507 -4.145
35 HB VAL 6 HB VAL 6 0.009 6.738 -5.982
36 1HG1 VAL 6 1HG1 VAL 6 2.057 6.192 -6.755
37 2HG1 VAL 6 2HG1 VAL 6 1.173 4.878 -7.531
38 3HG1 VAL 6 3HG1 VAL 6 2.025 4.593 -6.013
39 1HG2 VAL 6 1HG2 VAL 6 -1.816 5.571 -6.504
40 2HG2 VAL 6 2HG2 VAL 6 -1.301 4.200 -5.523
41 3HG2 VAL 6 3HG2 VAL 6 -0.738 4.354 -7.187
42 H ASP 7 H ASP 7 0.031 7.861 -3.472
43 HA ASP 7 HA ASP 7 2.879 8.328 -2.879
44 1HB ASP 7 2HB ASP 7 1.505 9.592 -4.874
45 2HB ASP 7 1HB ASP 7 1.271 10.708 -3.533
46 H LYS 8 H LYS 8 0.848 7.370 -1.084
47 HA LYS 8 HA LYS 8 0.894 9.577 0.853
48 1HB LYS 8 2HB LYS 8 -1.409 8.914 -0.368
49 2HB LYS 8 1HB LYS 8 -1.443 7.754 0.952
50 1HG LYS 8 2HG LYS 8 -0.756 10.140 2.176
51 2HG LYS 8 1HG LYS 8 -1.957 10.602 0.968
52 1HD LYS 8 2HD LYS 8 -2.386 8.292 2.843
53 2HD LYS 8 1HD LYS 8 -2.814 9.947 3.284
54 1HE LYS 8 2HE LYS 8 -4.397 10.104 1.535
55 2HE LYS 8 1HE LYS 8 -3.795 8.639 0.760
56 1HZ LYS 8 1HZ LYS 8 -5.746 7.998 1.837
57 2HZ LYS 8 2HZ LYS 8 -5.391 8.877 3.236
58 3HZ LYS 8 3HZ LYS 8 -4.520 7.473 2.878
59 H SER 9 H SER 9 0.398 6.091 0.380
60 HA SER 9 HA SER 9 1.418 5.628 3.097
61 1HB SER 9 2HB SER 9 -0.837 4.639 2.093
62 2HB SER 9 1HB SER 9 0.264 3.414 1.461
63 HG SER 9 HG SER 9 -0.515 3.930 4.064
64 H ARG 10 H ARG 10 3.471 5.041 3.296
65 HA ARG 10 HA ARG 10 5.168 4.489 1.140
66 1HB ARG 10 2HB ARG 10 5.724 5.348 3.486
67 2HB ARG 10 1HB ARG 10 5.676 3.663 3.987
68 1HG ARG 10 2HG ARG 10 7.916 4.132 3.594
69 2HG ARG 10 1HG ARG 10 7.390 3.227 2.176
70 1HD ARG 10 2HD ARG 10 7.640 5.000 0.793
71 2HD ARG 10 1HD ARG 10 7.124 6.160 2.016
72 HE ARG 10 HE ARG 10 9.319 6.528 2.492
73 1HH1 ARG 10 1HH1 ARG 10 9.049 3.399 0.971
74 2HH1 ARG 10 2HH1 ARG 10 10.759 3.131 0.933
75 1HH2 ARG 10 1HH2 ARG 10 11.569 6.177 2.445
76 2HH2 ARG 10 2HH2 ARG 10 12.190 4.708 1.770
77 H CYS 11 H CYS 11 6.349 2.537 0.686
78 HA CYS 11 HA CYS 11 5.045 0.055 1.543
79 1HB CYS 11 2HB CYS 11 4.382 1.020 -0.839
80 2HB CYS 11 1HB CYS 11 5.907 0.279 -1.305
81 H ALA 12 H ALA 12 6.401 -1.882 0.685
82 HA ALA 12 HA ALA 12 9.139 -1.397 1.528
83 1HB ALA 12 1HB ALA 12 8.943 -4.087 0.975
84 2HB ALA 12 2HB ALA 12 7.312 -3.667 1.499
85 3HB ALA 12 3HB ALA 12 8.688 -3.335 2.550
86 H LYS 13 H LYS 13 10.657 -3.177 0.242
87 HA LYS 13 HA LYS 13 11.361 -1.991 -2.129
88 1HB LYS 13 2HB LYS 13 12.455 -3.871 -0.597
89 2HB LYS 13 1HB LYS 13 11.816 -4.909 -1.857
90 1HG LYS 13 2HG LYS 13 13.268 -4.142 -3.425
91 2HG LYS 13 1HG LYS 13 13.356 -2.531 -2.710
92 1HD LYS 13 2HD LYS 13 14.644 -5.030 -1.614
93 2HD LYS 13 1HD LYS 13 15.469 -3.725 -2.463
94 1HE LYS 13 2HE LYS 13 15.698 -2.597 -0.567
95 2HE LYS 13 1HE LYS 13 13.953 -2.611 -0.322
96 1HZ LYS 13 1HZ LYS 13 14.534 -5.069 0.444
97 2HZ LYS 13 2HZ LYS 13 14.564 -3.755 1.509
98 3HZ LYS 13 3HZ LYS 13 16.004 -4.325 0.832
99 H TYR 14 H TYR 14 9.314 -4.869 -1.694
100 HA TYR 14 HA TYR 14 7.560 -4.345 -3.751
101 1HB TYR 14 2HB TYR 14 8.540 -6.267 -5.332
102 2HB TYR 14 1HB TYR 14 8.946 -4.570 -5.548
103 HD1 TYR 14 1HD TYR 14 10.294 -6.730 -2.857
104 HD2 TYR 14 2HD TYR 14 11.052 -4.861 -6.603
105 HE1 TYR 14 1HE TYR 14 12.681 -7.277 -2.640
106 HE2 TYR 14 2HE TYR 14 13.440 -5.405 -6.397
107 HH TYR 14 HH TYR 14 14.882 -6.317 -3.567
108 H GLY 15 H GLY 15 6.067 -6.055 -4.160
109 1HA GLY 15 2HA GLY 15 5.564 -8.454 -3.855
110 2HA GLY 15 1HA GLY 15 6.392 -8.342 -2.311
111 H TYR 16 H TYR 16 4.885 -8.723 -0.829
112 HA TYR 16 HA TYR 16 2.266 -7.425 -1.088
113 1HB TYR 16 2HB TYR 16 2.495 -9.940 -0.727
114 2HB TYR 16 1HB TYR 16 3.034 -9.556 0.904
115 HD1 TYR 16 1HD TYR 16 1.391 -7.854 2.176
116 HD2 TYR 16 2HD TYR 16 0.269 -10.439 -1.011
117 HE1 TYR 16 1HE TYR 16 -0.948 -7.757 2.928
118 HE2 TYR 16 2HE TYR 16 -2.073 -10.347 -0.269
119 HH TYR 16 HH TYR 16 -3.540 -8.922 1.029
120 H TYR 17 H TYR 17 1.576 -5.908 0.304
121 HA TYR 17 HA TYR 17 3.080 -5.441 2.775
122 1HB TYR 17 2HB TYR 17 3.715 -3.909 0.718
123 2HB TYR 17 1HB TYR 17 2.240 -3.062 1.168
124 HD1 TYR 17 1HD TYR 17 2.931 -1.051 2.110
125 HD2 TYR 17 2HD TYR 17 4.833 -4.660 3.320
126 HE1 TYR 17 1HE TYR 17 4.168 0.187 3.839
127 HE2 TYR 17 2HE TYR 17 6.074 -3.433 5.052
128 HH TYR 17 HH TYR 17 5.313 -0.206 5.922
129 H GLN 18 H GLN 18 1.637 -5.654 4.340
130 HA GLN 18 HA GLN 18 -1.102 -5.682 4.124
131 1HB GLN 18 2HB GLN 18 0.609 -6.179 6.126
132 2HB GLN 18 1HB GLN 18 0.004 -4.618 6.662
133 1HG GLN 18 2HG GLN 18 -1.586 -5.838 7.650
134 2HG GLN 18 1HG GLN 18 -2.310 -5.864 6.042
135 1HE2 GLN 18 1HE2 GLN 18 -0.516 -7.666 8.410
136 2HE2 GLN 18 2HE2 GLN 18 -0.736 -9.222 7.692
137 H GLU 19 H GLU 19 0.997 -2.908 4.660
138 HA GLU 19 HA GLU 19 -0.970 -1.045 5.381
139 1HB GLU 19 2HB GLU 19 1.807 -0.935 4.381
140 2HB GLU 19 1HB GLU 19 0.844 0.507 4.092
141 1HG GLU 19 2HG GLU 19 0.491 0.861 6.387
142 2HG GLU 19 1HG GLU 19 1.050 -0.758 6.803
143 H CYS 20 H CYS 20 0.523 -1.559 2.179
144 HA CYS 20 HA CYS 20 -1.069 0.198 0.738
145 1HB CYS 20 2HB CYS 20 1.004 -1.112 -0.021
146 2HB CYS 20 1HB CYS 20 -0.103 -2.430 -0.376
147 H GLN 21 H GLN 21 -1.541 -3.280 1.256
148 HA GLN 21 HA GLN 21 -3.871 -3.655 -0.177
149 1HB GLN 21 2HB GLN 21 -2.516 -5.008 2.054
150 2HB GLN 21 1HB GLN 21 -4.245 -5.313 1.972
151 1HG GLN 21 2HG GLN 21 -2.289 -5.748 -0.274
152 2HG GLN 21 1HG GLN 21 -2.933 -7.002 0.783
153 1HE2 GLN 21 1HE2 GLN 21 -5.569 -6.280 0.948
154 2HE2 GLN 21 2HE2 GLN 21 -6.311 -6.422 -0.605
155 H ASP 22 H ASP 22 -3.631 -2.895 3.303
156 HA ASP 22 HA ASP 22 -6.369 -2.670 3.789
157 1HB ASP 22 2HB ASP 22 -3.894 -1.945 5.172
158 2HB ASP 22 1HB ASP 22 -5.239 -0.873 5.552
159 H CYS 23 H CYS 23 -4.041 -0.276 2.661
160 HA CYS 23 HA CYS 23 -5.597 2.020 2.877
161 1HB CYS 23 2HB CYS 23 -3.089 1.541 2.101
162 2HB CYS 23 1HB CYS 23 -3.834 1.740 0.527
163 H CYS 24 H CYS 24 -5.071 0.045 -0.032
164 HA CYS 24 HA CYS 24 -6.853 1.314 -1.713
165 1HB CYS 24 2HB CYS 24 -5.144 -0.560 -2.187
166 2HB CYS 24 1HB CYS 24 -6.451 -1.663 -1.779
167 H LYS 25 H LYS 25 -7.524 -1.726 0.050
168 HA LYS 25 HA LYS 25 -10.179 -2.007 -0.556
169 1HB LYS 25 2HB LYS 25 -10.412 -3.314 1.479
170 2HB LYS 25 1HB LYS 25 -8.868 -3.658 0.714
171 1HG LYS 25 2HG LYS 25 -7.676 -2.434 2.332
172 2HG LYS 25 1HG LYS 25 -9.145 -1.682 2.955
173 1HD LYS 25 2HD LYS 25 -9.107 -4.624 3.023
174 2HD LYS 25 1HD LYS 25 -7.941 -3.828 4.082
175 1HE LYS 25 2HE LYS 25 -10.887 -3.195 4.004
176 2HE LYS 25 1HE LYS 25 -10.137 -4.295 5.158
177 1HZ LYS 25 1HZ LYS 25 -8.975 -1.632 4.946
178 2HZ LYS 25 2HZ LYS 25 -9.214 -2.603 6.311
179 3HZ LYS 25 3HZ LYS 25 -10.507 -1.729 5.657
180 H ASN 26 H ASN 26 -8.747 0.128 1.848
181 HA ASN 26 HA ASN 26 -11.250 0.919 2.993
182 1HB ASN 26 2HB ASN 26 -8.600 1.189 3.725
183 2HB ASN 26 1HB ASN 26 -9.054 2.832 3.289
184 1HD2 ASN 26 1HD2 ASN 26 -9.005 0.582 5.720
185 2HD2 ASN 26 2HD2 ASN 26 -10.148 1.309 6.791
186 H ALA 27 H ALA 27 -9.334 1.919 0.285
187 HA ALA 27 HA ALA 27 -10.454 4.518 -0.027
188 1HB ALA 27 1HB ALA 27 -8.322 3.277 -1.108
189 2HB ALA 27 2HB ALA 27 -9.070 4.718 -1.801
190 3HB ALA 27 3HB ALA 27 -9.476 3.122 -2.434
191 H GLY 28 H GLY 28 -11.333 1.303 -1.099
192 1HA GLY 28 2HA GLY 28 -13.931 1.368 -1.340
193 2HA GLY 28 1HA GLY 28 -13.522 2.393 -2.702
194 H HIS 29 H HIS 29 -11.016 0.412 -2.753
195 HA HIS 29 HA HIS 29 -12.321 -1.391 -4.645
196 1HB HIS 29 2HB HIS 29 -9.357 -1.064 -4.203
197 2HB HIS 29 1HB HIS 29 -10.168 -1.748 -5.606
198 HD1 HIS 29 1HD HIS 29 -11.976 0.252 -6.641
199 HD2 HIS 29 2HD HIS 29 -8.419 1.384 -4.815
200 HE1 HIS 29 1HE HIS 29 -11.495 2.570 -7.487
201 HE2 HIS 29 2HE HIS 29 -9.297 3.204 -6.431
202 H ASN 30 H ASN 30 -9.953 -3.260 -4.374
203 HA ASN 30 HA ASN 30 -10.921 -4.678 -1.985
204 1HB ASN 30 2HB ASN 30 -9.832 -5.750 -4.592
205 2HB ASN 30 1HB ASN 30 -10.130 -6.752 -3.174
206 1HD2 ASN 30 1HD2 ASN 30 -12.314 -6.872 -2.377
207 2HD2 ASN 30 2HD2 ASN 30 -13.635 -6.698 -3.477
208 H GLY 31 H GLY 31 -8.011 -4.127 -3.974
209 1HA GLY 31 2HA GLY 31 -6.348 -3.730 -1.724
210 2HA GLY 31 1HA GLY 31 -6.170 -5.381 -2.297
211 H GLY 32 H GLY 32 -3.968 -4.903 -2.792
212 1HA GLY 32 2HA GLY 32 -3.607 -4.074 -5.502
213 2HA GLY 32 1HA GLY 32 -2.999 -2.872 -4.375
214 H THR 33 H THR 33 -0.886 -3.203 -5.194
215 HA THR 33 HA THR 33 0.466 -5.444 -3.912
216 HB THR 33 HB THR 33 0.101 -6.359 -6.089
217 HG1 THR 33 1HG THR 33 2.711 -5.265 -6.136
218 1HG2 THR 33 1HG2 THR 33 1.281 -4.990 -8.032
219 2HG2 THR 33 2HG2 THR 33 0.740 -3.637 -7.040
220 3HG2 THR 33 3HG2 THR 33 -0.429 -4.811 -7.645
221 H CYS 34 H CYS 34 2.845 -5.173 -3.923
222 HA CYS 34 HA CYS 34 3.513 -2.334 -3.644
223 1HB CYS 34 2HB CYS 34 3.864 -4.093 -1.780
224 2HB CYS 34 1HB CYS 34 5.247 -4.612 -2.734
225 H MET 35 H MET 35 4.870 -1.340 -4.988
226 HA MET 35 HA MET 35 6.650 -2.956 -6.671
227 1HB MET 35 2HB MET 35 4.519 -1.063 -7.522
228 2HB MET 35 1HB MET 35 6.022 -1.057 -8.436
229 1HG MET 35 2HG MET 35 5.668 -3.630 -8.519
230 2HG MET 35 1HG MET 35 3.995 -3.222 -8.143
231 1HE MET 35 1HE MET 35 6.644 -3.657 -10.739
232 2HE MET 35 2HE MET 35 5.631 -3.571 -12.180
233 3HE MET 35 3HE MET 35 5.238 -4.712 -10.894
234 H PHE 36 H PHE 36 8.514 -2.324 -5.637
235 HA PHE 36 HA PHE 36 10.213 -0.987 -4.913
236 1HB PHE 36 2HB PHE 36 10.510 -0.878 -7.323
237 2HB PHE 36 1HB PHE 36 9.385 0.463 -7.421
238 HD1 PHE 36 1HD PHE 36 12.642 -0.554 -6.019
239 HD2 PHE 36 2HD PHE 36 10.141 2.669 -7.207
240 HE1 PHE 36 1HE PHE 36 14.525 1.005 -5.725
241 HE2 PHE 36 2HE PHE 36 12.013 4.239 -6.917
242 HZ PHE 36 HZ PHE 36 14.210 3.407 -6.175
243 H PHE 37 H PHE 37 8.641 -0.393 -3.110
244 HA PHE 37 HA PHE 37 7.871 1.141 -1.633
245 1HB PHE 37 2HB PHE 37 9.454 3.185 -3.185
246 2HB PHE 37 1HB PHE 37 9.039 3.210 -1.474
247 HD1 PHE 37 1HD PHE 37 9.690 0.288 -0.919
248 HD2 PHE 37 2HD PHE 37 11.809 3.353 -2.974
249 HE1 PHE 37 1HE PHE 37 11.814 -0.829 -0.384
250 HE2 PHE 37 2HE PHE 37 13.938 2.238 -2.446
251 HZ PHE 37 HZ PHE 37 13.941 0.142 -1.150
252 H LYS 38 H LYS 38 6.543 0.814 -4.384
253 HA LYS 38 HA LYS 38 4.955 3.294 -4.268
254 1HB LYS 38 2HB LYS 38 5.223 1.449 -6.647
255 2HB LYS 38 1HB LYS 38 4.409 3.005 -6.600
256 1HG LYS 38 2HG LYS 38 6.731 3.933 -5.937
257 2HG LYS 38 1HG LYS 38 7.335 2.412 -6.597
258 1HD LYS 38 2HD LYS 38 7.346 3.504 -8.558
259 2HD LYS 38 1HD LYS 38 5.605 3.214 -8.548
260 1HE LYS 38 2HE LYS 38 5.950 5.499 -6.999
261 2HE LYS 38 1HE LYS 38 7.068 5.703 -8.346
262 1HZ LYS 38 1HZ LYS 38 4.881 4.855 -9.616
263 2HZ LYS 38 2HZ LYS 38 5.247 6.487 -9.368
264 3HZ LYS 38 3HZ LYS 38 4.171 5.696 -8.331
265 H CYS 39 H CYS 39 2.957 3.070 -3.543
266 HA CYS 39 HA CYS 39 1.854 0.405 -3.186
267 1HB CYS 39 2HB CYS 39 1.752 1.919 -1.291
268 2HB CYS 39 1HB CYS 39 0.899 3.119 -2.254
269 H LYS 40 H LYS 40 1.013 -0.362 -5.048
270 HA LYS 40 HA LYS 40 -0.835 1.366 -6.546
271 1HB LYS 40 2HB LYS 40 1.172 0.189 -7.667
272 2HB LYS 40 1HB LYS 40 0.219 -1.281 -7.512
273 1HG LYS 40 2HG LYS 40 -0.037 -0.302 -9.717
274 2HG LYS 40 1HG LYS 40 -1.565 -0.272 -8.834
275 1HD LYS 40 2HD LYS 40 -1.335 2.054 -8.365
276 2HD LYS 40 1HD LYS 40 0.328 2.070 -8.955
277 1HE LYS 40 2HE LYS 40 -0.526 1.484 -11.211
278 2HE LYS 40 1HE LYS 40 -2.169 1.624 -10.588
279 1HZ LYS 40 1HZ LYS 40 -1.642 3.665 -11.619
280 2HZ LYS 40 2HZ LYS 40 -0.144 3.773 -10.842
281 3HZ LYS 40 3HZ LYS 40 -1.571 3.956 -9.954
282 H CYS 41 H CYS 41 -2.830 0.403 -7.342
283 HA CYS 41 HA CYS 41 -3.941 -1.470 -5.392
284 1HB CYS 41 2HB CYS 41 -5.047 0.706 -7.093
285 2HB CYS 41 1HB CYS 41 -6.102 -0.618 -6.662
286 H ALA 42 H ALA 42 -6.062 -2.498 -6.668
287 HA ALA 42 HA ALA 42 -5.008 -3.820 -9.077
288 1HB ALA 42 1HB ALA 42 -6.142 -5.123 -6.622
289 2HB ALA 42 2HB ALA 42 -4.610 -5.444 -7.434
290 3HB ALA 42 3HB ALA 42 -6.127 -5.935 -8.187
Start of MODEL 20
1 1H ASP 1 1HT ASP 1 -8.724 14.042 -7.282
2 2H ASP 1 2HT ASP 1 -8.412 14.896 -5.826
3 3H ASP 1 3HT ASP 1 -9.037 13.299 -5.769
4 HA ASP 1 HA ASP 1 -6.448 13.981 -6.974
5 1HB ASP 1 2HB ASP 1 -7.276 13.603 -4.145
6 2HB ASP 1 1HB ASP 1 -5.792 12.800 -4.645
7 H ARG 2 H ARG 2 -5.318 12.207 -7.664
8 HA ARG 2 HA ARG 2 -6.725 9.623 -7.493
9 1HB ARG 2 2HB ARG 2 -6.155 11.025 -9.764
10 2HB ARG 2 1HB ARG 2 -4.761 9.961 -9.658
11 1HG ARG 2 2HG ARG 2 -5.941 8.250 -10.413
12 2HG ARG 2 1HG ARG 2 -7.155 8.470 -9.153
13 1HD ARG 2 2HD ARG 2 -7.669 10.532 -10.918
14 2HD ARG 2 1HD ARG 2 -7.238 9.185 -11.971
15 HE ARG 2 HE ARG 2 -9.134 8.496 -9.924
16 1HH1 ARG 2 1HH1 ARG 2 -8.738 9.784 -13.143
17 2HH1 ARG 2 2HH1 ARG 2 -10.337 9.352 -13.647
18 1HH2 ARG 2 1HH2 ARG 2 -11.237 7.927 -10.585
19 2HH2 ARG 2 2HH2 ARG 2 -11.757 8.299 -12.195
20 H ASP 3 H ASP 3 -4.828 10.638 -5.582
21 HA ASP 3 HA ASP 3 -2.235 9.666 -5.911
22 1HB ASP 3 2HB ASP 3 -3.550 11.011 -3.935
23 2HB ASP 3 1HB ASP 3 -3.338 9.431 -3.186
24 H SER 4 H SER 4 -5.118 8.067 -4.607
25 HA SER 4 HA SER 4 -5.606 5.883 -4.201
26 1HB SER 4 2HB SER 4 -4.655 5.947 -6.713
27 2HB SER 4 1HB SER 4 -3.449 4.886 -5.985
28 HG SER 4 HG SER 4 -5.327 3.675 -5.162
29 H CYS 5 H CYS 5 -3.376 7.252 -2.722
30 HA CYS 5 HA CYS 5 -2.055 6.717 -0.947
31 1HB CYS 5 2HB CYS 5 -3.755 4.569 -1.087
32 2HB CYS 5 1HB CYS 5 -2.179 3.796 -1.204
33 H VAL 6 H VAL 6 -1.370 6.180 -4.051
34 HA VAL 6 HA VAL 6 0.967 4.563 -3.920
35 HB VAL 6 HB VAL 6 0.421 6.612 -6.032
36 1HG1 VAL 6 1HG1 VAL 6 2.550 4.999 -5.718
37 2HG1 VAL 6 2HG1 VAL 6 1.959 5.546 -7.288
38 3HG1 VAL 6 3HG1 VAL 6 1.505 3.954 -6.680
39 1HG2 VAL 6 1HG2 VAL 6 -1.424 5.565 -6.686
40 2HG2 VAL 6 2HG2 VAL 6 -1.293 4.476 -5.305
41 3HG2 VAL 6 3HG2 VAL 6 -0.526 4.055 -6.837
42 H ASP 7 H ASP 7 0.310 7.964 -3.525
43 HA ASP 7 HA ASP 7 3.176 8.407 -2.999
44 1HB ASP 7 2HB ASP 7 1.981 9.549 -5.069
45 2HB ASP 7 1HB ASP 7 1.425 10.677 -3.836
46 H LYS 8 H LYS 8 1.084 7.591 -1.146
47 HA LYS 8 HA LYS 8 1.138 9.926 0.649
48 1HB LYS 8 2HB LYS 8 -1.138 8.807 -0.392
49 2HB LYS 8 1HB LYS 8 -0.993 7.965 1.144
50 1HG LYS 8 2HG LYS 8 -1.839 9.713 2.196
51 2HG LYS 8 1HG LYS 8 -0.515 10.722 1.611
52 1HD LYS 8 2HD LYS 8 -2.192 10.459 -0.585
53 2HD LYS 8 1HD LYS 8 -3.294 10.638 0.780
54 1HE LYS 8 2HE LYS 8 -2.074 12.660 1.471
55 2HE LYS 8 1HE LYS 8 -1.021 12.489 0.067
56 1HZ LYS 8 1HZ LYS 8 -3.013 12.689 -1.345
57 2HZ LYS 8 2HZ LYS 8 -2.734 14.073 -0.412
58 3HZ LYS 8 3HZ LYS 8 -3.949 12.983 0.034
59 H SER 9 H SER 9 0.659 6.390 0.672
60 HA SER 9 HA SER 9 2.001 6.264 3.270
61 1HB SER 9 2HB SER 9 -0.261 5.078 2.621
62 2HB SER 9 1HB SER 9 0.814 3.864 1.929
63 HG SER 9 HG SER 9 0.125 3.689 4.258
64 H ARG 10 H ARG 10 3.655 4.662 3.656
65 HA ARG 10 HA ARG 10 5.489 4.473 1.421
66 1HB ARG 10 2HB ARG 10 6.259 5.178 3.670
67 2HB ARG 10 1HB ARG 10 5.829 3.590 4.292
68 1HG ARG 10 2HG ARG 10 7.568 2.545 3.208
69 2HG ARG 10 1HG ARG 10 7.716 3.817 1.995
70 1HD ARG 10 2HD ARG 10 8.445 5.329 3.914
71 2HD ARG 10 1HD ARG 10 8.615 3.853 4.863
72 HE ARG 10 HE ARG 10 10.062 3.308 2.656
73 1HH1 ARG 10 1HH1 ARG 10 10.052 6.013 4.862
74 2HH1 ARG 10 2HH1 ARG 10 11.732 6.362 4.638
75 1HH2 ARG 10 1HH2 ARG 10 12.272 3.765 2.362
76 2HH2 ARG 10 2HH2 ARG 10 12.993 5.086 3.219
77 H CYS 11 H CYS 11 6.675 2.421 1.043
78 HA CYS 11 HA CYS 11 5.147 0.005 1.648
79 1HB CYS 11 2HB CYS 11 4.585 1.154 -0.673
80 2HB CYS 11 1HB CYS 11 6.071 0.359 -1.170
81 H ALA 12 H ALA 12 6.384 -1.965 0.692
82 HA ALA 12 HA ALA 12 9.136 -1.721 1.597
83 1HB ALA 12 1HB ALA 12 8.775 -4.354 0.898
84 2HB ALA 12 2HB ALA 12 7.160 -3.858 1.407
85 3HB ALA 12 3HB ALA 12 8.527 -3.672 2.507
86 H LYS 13 H LYS 13 10.613 -3.431 0.268
87 HA LYS 13 HA LYS 13 11.366 -2.196 -2.066
88 1HB LYS 13 2HB LYS 13 12.414 -4.120 -0.551
89 2HB LYS 13 1HB LYS 13 11.796 -5.121 -1.849
90 1HG LYS 13 2HG LYS 13 13.268 -4.295 -3.382
91 2HG LYS 13 1HG LYS 13 13.398 -2.732 -2.573
92 1HD LYS 13 2HD LYS 13 14.596 -5.335 -1.624
93 2HD LYS 13 1HD LYS 13 15.468 -3.995 -2.365
94 1HE LYS 13 2HE LYS 13 15.730 -3.063 -0.370
95 2HE LYS 13 1HE LYS 13 13.979 -2.943 -0.202
96 1HZ LYS 13 1HZ LYS 13 15.508 -4.337 1.454
97 2HZ LYS 13 2HZ LYS 13 15.142 -5.553 0.337
98 3HZ LYS 13 3HZ LYS 13 13.894 -4.736 1.136
99 H TYR 14 H TYR 14 9.307 -5.075 -1.719
100 HA TYR 14 HA TYR 14 7.622 -4.476 -3.844
101 1HB TYR 14 2HB TYR 14 8.604 -6.513 -5.307
102 2HB TYR 14 1HB TYR 14 9.034 -4.831 -5.589
103 HD1 TYR 14 1HD TYR 14 10.229 -7.044 -2.847
104 HD2 TYR 14 2HD TYR 14 11.203 -5.013 -6.456
105 HE1 TYR 14 1HE TYR 14 12.601 -7.599 -2.512
106 HE2 TYR 14 2HE TYR 14 13.577 -5.564 -6.131
107 HH TYR 14 HH TYR 14 14.942 -7.208 -4.951
108 H GLY 15 H GLY 15 6.035 -6.082 -4.223
109 1HA GLY 15 2HA GLY 15 5.430 -8.473 -3.886
110 2HA GLY 15 1HA GLY 15 6.161 -8.325 -2.297
111 H TYR 16 H TYR 16 4.535 -8.575 -0.906
112 HA TYR 16 HA TYR 16 2.064 -7.044 -1.361
113 1HB TYR 16 2HB TYR 16 1.975 -9.587 -1.142
114 2HB TYR 16 1HB TYR 16 2.386 -9.352 0.553
115 HD1 TYR 16 1HD TYR 16 0.825 -7.885 1.957
116 HD2 TYR 16 2HD TYR 16 -0.246 -9.440 -1.855
117 HE1 TYR 16 1HE TYR 16 -1.550 -7.535 2.489
118 HE2 TYR 16 2HE TYR 16 -2.625 -9.094 -1.335
119 HH TYR 16 HH TYR 16 -3.947 -7.500 0.261
120 H TYR 17 H TYR 17 1.425 -5.534 0.058
121 HA TYR 17 HA TYR 17 2.810 -5.350 2.641
122 1HB TYR 17 2HB TYR 17 3.636 -3.736 0.751
123 2HB TYR 17 1HB TYR 17 2.152 -2.858 1.104
124 HD1 TYR 17 1HD TYR 17 2.924 -0.885 2.095
125 HD2 TYR 17 2HD TYR 17 4.404 -4.623 3.485
126 HE1 TYR 17 1HE TYR 17 4.047 0.260 3.959
127 HE2 TYR 17 2HE TYR 17 5.527 -3.490 5.355
128 HH TYR 17 HH TYR 17 6.341 -1.311 5.966
129 H GLN 18 H GLN 18 1.254 -5.700 4.081
130 HA GLN 18 HA GLN 18 -1.456 -5.530 3.777
131 1HB GLN 18 2HB GLN 18 0.088 -6.318 5.785
132 2HB GLN 18 1HB GLN 18 -0.344 -4.738 6.424
133 1HG GLN 18 2HG GLN 18 -2.613 -6.270 5.405
134 2HG GLN 18 1HG GLN 18 -1.780 -7.024 6.765
135 1HE2 GLN 18 1HE2 GLN 18 -3.691 -6.672 7.993
136 2HE2 GLN 18 2HE2 GLN 18 -4.030 -5.119 8.668
137 H GLU 19 H GLU 19 0.765 -2.912 4.420
138 HA GLU 19 HA GLU 19 -1.135 -0.999 5.269
139 1HB GLU 19 2HB GLU 19 1.681 -1.013 4.454
140 2HB GLU 19 1HB GLU 19 0.843 0.481 4.057
141 1HG GLU 19 2HG GLU 19 0.040 0.003 6.635
142 2HG GLU 19 1HG GLU 19 1.711 -0.556 6.633
143 H CYS 20 H CYS 20 0.240 -1.744 2.085
144 HA CYS 20 HA CYS 20 -1.168 0.278 0.692
145 1HB CYS 20 2HB CYS 20 0.908 -1.050 -0.053
146 2HB CYS 20 1HB CYS 20 -0.230 -2.295 -0.556
147 H GLN 21 H GLN 21 -1.728 -3.243 0.880
148 HA GLN 21 HA GLN 21 -4.081 -3.309 -0.597
149 1HB GLN 21 2HB GLN 21 -4.524 -5.454 0.442
150 2HB GLN 21 1HB GLN 21 -2.814 -5.312 0.059
151 1HG GLN 21 2HG GLN 21 -2.277 -5.716 2.141
152 2HG GLN 21 1HG GLN 21 -3.242 -4.355 2.700
153 1HE2 GLN 21 1HE2 GLN 21 -5.741 -4.984 2.400
154 2HE2 GLN 21 2HE2 GLN 21 -6.165 -6.454 3.202
155 H ASP 22 H ASP 22 -3.540 -2.424 2.735
156 HA ASP 22 HA ASP 22 -6.258 -2.540 3.562
157 1HB ASP 22 2HB ASP 22 -4.366 -2.589 5.152
158 2HB ASP 22 1HB ASP 22 -3.977 -0.926 4.722
159 H CYS 23 H CYS 23 -4.164 0.066 2.389
160 HA CYS 23 HA CYS 23 -5.931 2.197 2.713
161 1HB CYS 23 2HB CYS 23 -3.395 1.975 1.883
162 2HB CYS 23 1HB CYS 23 -4.187 2.184 0.334
163 H CYS 24 H CYS 24 -5.274 0.313 -0.225
164 HA CYS 24 HA CYS 24 -7.183 1.463 -1.873
165 1HB CYS 24 2HB CYS 24 -5.331 -0.213 -2.448
166 2HB CYS 24 1HB CYS 24 -6.481 -1.463 -1.988
167 H LYS 25 H LYS 25 -7.537 -1.598 -0.055
168 HA LYS 25 HA LYS 25 -10.163 -2.138 -0.664
169 1HB LYS 25 2HB LYS 25 -9.384 -3.901 0.490
170 2HB LYS 25 1HB LYS 25 -8.245 -2.921 1.393
171 1HG LYS 25 2HG LYS 25 -10.453 -2.211 2.684
172 2HG LYS 25 1HG LYS 25 -10.990 -3.785 2.096
173 1HD LYS 25 2HD LYS 25 -9.983 -4.560 3.947
174 2HD LYS 25 1HD LYS 25 -8.502 -4.376 3.011
175 1HE LYS 25 2HE LYS 25 -8.291 -3.375 5.235
176 2HE LYS 25 1HE LYS 25 -8.157 -2.163 3.961
177 1HZ LYS 25 1HZ LYS 25 -9.751 -1.048 4.989
178 2HZ LYS 25 2HZ LYS 25 -10.005 -2.299 6.098
179 3HZ LYS 25 3HZ LYS 25 -10.838 -2.293 4.627
180 H ASN 26 H ASN 26 -8.965 -0.239 2.105
181 HA ASN 26 HA ASN 26 -11.490 0.394 3.162
182 1HB ASN 26 2HB ASN 26 -8.874 0.834 3.899
183 2HB ASN 26 1HB ASN 26 -9.451 2.458 3.549
184 1HD2 ASN 26 1HD2 ASN 26 -8.706 1.268 6.093
185 2HD2 ASN 26 2HD2 ASN 26 -10.094 1.400 7.113
186 H ALA 27 H ALA 27 -9.716 1.703 0.496
187 HA ALA 27 HA ALA 27 -11.087 4.208 0.371
188 1HB ALA 27 1HB ALA 27 -9.217 4.501 -0.835
189 2HB ALA 27 2HB ALA 27 -10.158 3.815 -2.159
190 3HB ALA 27 3HB ALA 27 -9.078 2.785 -1.220
191 H GLY 28 H GLY 28 -11.594 1.014 -0.955
192 1HA GLY 28 2HA GLY 28 -14.138 0.727 -1.256
193 2HA GLY 28 1HA GLY 28 -13.914 1.985 -2.459
194 H HIS 29 H HIS 29 -11.623 -0.608 -1.833
195 HA HIS 29 HA HIS 29 -12.463 -1.962 -4.284
196 1HB HIS 29 2HB HIS 29 -9.586 -1.202 -3.755
197 2HB HIS 29 1HB HIS 29 -10.228 -1.989 -5.193
198 HD1 HIS 29 1HD HIS 29 -12.397 -0.295 -6.166
199 HD2 HIS 29 2HD HIS 29 -9.030 1.360 -4.381
200 HE1 HIS 29 1HE HIS 29 -12.303 2.082 -6.982
201 HE2 HIS 29 2HE HIS 29 -10.203 3.033 -5.964
202 H ASN 30 H ASN 30 -10.014 -3.611 -4.240
203 HA ASN 30 HA ASN 30 -10.749 -5.315 -1.966
204 1HB ASN 30 2HB ASN 30 -10.494 -5.898 -4.681
205 2HB ASN 30 1HB ASN 30 -9.038 -6.570 -3.955
206 1HD2 ASN 30 1HD2 ASN 30 -9.722 -7.556 -1.636
207 2HD2 ASN 30 2HD2 ASN 30 -10.976 -8.737 -1.767
208 H GLY 31 H GLY 31 -7.894 -4.242 -3.818
209 1HA GLY 31 2HA GLY 31 -6.351 -3.700 -1.530
210 2HA GLY 31 1HA GLY 31 -5.962 -5.318 -2.093
211 H GLY 32 H GLY 32 -3.834 -4.693 -2.590
212 1HA GLY 32 2HA GLY 32 -3.543 -3.646 -5.252
213 2HA GLY 32 1HA GLY 32 -2.929 -2.556 -4.019
214 H THR 33 H THR 33 -0.931 -2.980 -5.341
215 HA THR 33 HA THR 33 0.511 -5.243 -4.146
216 HB THR 33 HB THR 33 0.049 -5.975 -6.373
217 HG1 THR 33 1HG THR 33 2.660 -4.880 -6.424
218 1HG2 THR 33 1HG2 THR 33 0.094 -3.263 -7.070
219 2HG2 THR 33 2HG2 THR 33 -0.242 -4.648 -8.109
220 3HG2 THR 33 3HG2 THR 33 1.405 -4.032 -7.964
221 H CYS 34 H CYS 34 2.852 -4.969 -4.128
222 HA CYS 34 HA CYS 34 3.576 -2.138 -3.826
223 1HB CYS 34 2HB CYS 34 3.759 -3.809 -1.880
224 2HB CYS 34 1HB CYS 34 5.141 -4.467 -2.741
225 H MET 35 H MET 35 4.995 -1.239 -5.171
226 HA MET 35 HA MET 35 6.813 -2.980 -6.690
227 1HB MET 35 2HB MET 35 4.654 -1.346 -7.712
228 2HB MET 35 1HB MET 35 6.197 -0.834 -8.383
229 1HG MET 35 2HG MET 35 5.464 -3.728 -8.362
230 2HG MET 35 1HG MET 35 4.798 -2.651 -9.588
231 1HE MET 35 1HE MET 35 5.818 -4.816 -10.561
232 2HE MET 35 2HE MET 35 7.521 -5.249 -10.412
233 3HE MET 35 3HE MET 35 6.964 -4.329 -11.810
234 H PHE 36 H PHE 36 8.680 -2.414 -5.654
235 HA PHE 36 HA PHE 36 10.425 -1.150 -4.919
236 1HB PHE 36 2HB PHE 36 10.786 -0.934 -7.292
237 2HB PHE 36 1HB PHE 36 9.609 0.364 -7.394
238 HD1 PHE 36 1HD PHE 36 12.181 -0.001 -4.785
239 HD2 PHE 36 2HD PHE 36 10.975 2.058 -8.301
240 HE1 PHE 36 1HE PHE 36 13.982 1.640 -4.431
241 HE2 PHE 36 2HE PHE 36 12.773 3.705 -7.960
242 HZ PHE 36 HZ PHE 36 14.279 3.497 -6.022
243 H PHE 37 H PHE 37 8.674 -0.621 -3.170
244 HA PHE 37 HA PHE 37 7.999 0.869 -1.600
245 1HB PHE 37 2HB PHE 37 9.587 2.954 -3.097
246 2HB PHE 37 1HB PHE 37 9.144 2.958 -1.392
247 HD1 PHE 37 1HD PHE 37 9.781 0.048 -0.836
248 HD2 PHE 37 2HD PHE 37 11.939 3.096 -2.876
249 HE1 PHE 37 1HE PHE 37 11.892 -1.084 -0.283
250 HE2 PHE 37 2HE PHE 37 14.056 1.966 -2.329
251 HZ PHE 37 HZ PHE 37 14.032 -0.131 -1.032
252 H LYS 38 H LYS 38 6.723 0.659 -4.418
253 HA LYS 38 HA LYS 38 5.173 3.156 -4.308
254 1HB LYS 38 2HB LYS 38 5.305 1.109 -6.532
255 2HB LYS 38 1HB LYS 38 4.429 2.630 -6.578
256 1HG LYS 38 2HG LYS 38 7.237 2.988 -5.927
257 2HG LYS 38 1HG LYS 38 6.990 2.199 -7.486
258 1HD LYS 38 2HD LYS 38 6.825 4.334 -8.216
259 2HD LYS 38 1HD LYS 38 5.156 4.155 -7.670
260 1HE LYS 38 2HE LYS 38 6.585 4.903 -5.395
261 2HE LYS 38 1HE LYS 38 7.242 5.900 -6.693
262 1HZ LYS 38 1HZ LYS 38 5.437 7.086 -5.814
263 2HZ LYS 38 2HZ LYS 38 4.434 5.726 -5.774
264 3HZ LYS 38 3HZ LYS 38 4.855 6.421 -7.257
265 H CYS 39 H CYS 39 2.996 3.127 -3.970
266 HA CYS 39 HA CYS 39 1.844 0.517 -3.253
267 1HB CYS 39 2HB CYS 39 1.987 2.059 -1.371
268 2HB CYS 39 1HB CYS 39 1.115 3.286 -2.282
269 H LYS 40 H LYS 40 0.940 -0.137 -5.156
270 HA LYS 40 HA LYS 40 -1.015 1.679 -6.402
271 1HB LYS 40 2HB LYS 40 0.989 0.525 -7.685
272 2HB LYS 40 1HB LYS 40 -0.110 -0.846 -7.721
273 1HG LYS 40 2HG LYS 40 -1.768 0.455 -8.887
274 2HG LYS 40 1HG LYS 40 -0.768 1.903 -8.754
275 1HD LYS 40 2HD LYS 40 -0.330 1.173 -10.914
276 2HD LYS 40 1HD LYS 40 1.014 0.496 -9.994
277 1HE LYS 40 2HE LYS 40 0.454 -1.542 -10.671
278 2HE LYS 40 1HE LYS 40 -1.125 -1.366 -9.908
279 1HZ LYS 40 1HZ LYS 40 -2.089 -0.667 -11.872
280 2HZ LYS 40 2HZ LYS 40 -1.002 -1.845 -12.414
281 3HZ LYS 40 3HZ LYS 40 -0.618 -0.206 -12.570
282 H CYS 41 H CYS 41 -2.988 0.575 -7.296
283 HA CYS 41 HA CYS 41 -4.037 -1.228 -5.271
284 1HB CYS 41 2HB CYS 41 -5.203 0.591 -7.320
285 2HB CYS 41 1HB CYS 41 -6.164 -0.762 -6.772
286 H ALA 42 H ALA 42 -5.940 -2.623 -6.503
287 HA ALA 42 HA ALA 42 -4.654 -4.089 -8.701
288 1HB ALA 42 1HB ALA 42 -4.080 -5.618 -7.135
289 2HB ALA 42 2HB ALA 42 -5.739 -6.156 -7.393
290 3HB ALA 42 3HB ALA 42 -5.351 -5.118 -6.020