Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
517225 | 2lb7 RC | 17547 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 -5.371 6.906 6.665
2 HA ALA 1 HA ALA 1 -3.897 4.494 6.347
3 HB1 ALA 1 1HB ALA 1 -6.237 4.466 8.239
4 HB2 ALA 1 2HB ALA 1 -5.607 3.015 7.456
5 HB3 ALA 1 3HB ALA 1 -4.581 3.945 8.550
6 H GLN 2 H GLN 2 -4.407 3.759 4.396
7 HA GLN 2 HA GLN 2 -7.170 4.003 3.448
8 HB2 GLN 2 1HB GLN 2 -6.201 4.603 1.164
9 HB3 GLN 2 2HB GLN 2 -6.195 5.872 2.400
10 HG2 GLN 2 1HG GLN 2 -3.756 4.282 2.424
11 HG3 GLN 2 2HG GLN 2 -4.051 5.074 0.870
12 HE21 GLN 2 1HE2 GLN 2 -3.451 5.557 4.260
13 HE22 GLN 2 2HE2 GLN 2 -3.057 7.236 4.158
14 H ARG 3 H ARG 3 -7.822 2.433 1.966
15 HA ARG 3 HA ARG 3 -6.112 0.059 1.924
16 HB2 ARG 3 1HB ARG 3 -9.041 0.366 1.218
17 HB3 ARG 3 2HB ARG 3 -8.148 -1.160 1.309
18 HG2 ARG 3 1HG ARG 3 -7.659 -0.162 3.780
19 HG3 ARG 3 2HG ARG 3 -9.273 0.495 3.455
20 HD2 ARG 3 1HD ARG 3 -9.859 -1.525 4.369
21 HD3 ARG 3 2HD ARG 3 -9.757 -1.969 2.660
22 HE ARG 3 HE ARG 3 -7.261 -2.470 3.533
23 HH11 ARG 3 1HH1 ARG 3 -10.401 -3.359 4.743
24 HH12 ARG 3 2HH1 ARG 3 -9.857 -4.849 5.439
25 HH21 ARG 3 1HH2 ARG 3 -6.531 -4.429 4.444
26 HH22 ARG 3 2HH2 ARG 3 -7.653 -5.456 5.269
27 H CYS 4 H CYS 4 -5.536 -1.001 0.048
28 HA CYS 4 HA CYS 4 -6.314 0.190 -2.509
29 HB2 CYS 4 1HB CYS 4 -3.880 0.001 -3.232
30 HB3 CYS 4 2HB CYS 4 -4.289 1.345 -2.152
31 H GLY 5 H GLY 5 -4.876 -1.218 -4.261
32 HA2 GLY 5 2HA GLY 5 -4.703 -3.257 -5.302
33 HA3 GLY 5 3HA GLY 5 -4.477 -3.948 -3.702
34 H ASP 6 H ASP 6 -5.697 -5.780 -4.164
35 HA ASP 6 HA ASP 6 -8.246 -5.813 -5.305
36 HB2 ASP 6 1HB ASP 6 -6.613 -7.763 -4.737
37 HB3 ASP 6 2HB ASP 6 -7.445 -7.773 -3.176
38 HD2 ASP 6 HD ASP 6 -10.454 -8.398 -5.312
39 H GLN 7 H GLN 7 -7.214 -4.824 -2.186
40 HA GLN 7 HA GLN 7 -9.772 -5.173 -0.905
41 HB2 GLN 7 1HB GLN 7 -7.234 -3.757 -0.076
42 HB3 GLN 7 2HB GLN 7 -8.687 -3.822 0.933
43 HG2 GLN 7 1HG GLN 7 -7.091 -6.199 -0.022
44 HG3 GLN 7 2HG GLN 7 -7.062 -5.502 1.603
45 HE21 GLN 7 1HE2 GLN 7 -8.764 -7.506 -0.610
46 HE22 GLN 7 2HE2 GLN 7 -9.993 -8.042 0.479
47 H ALA 8 H ALA 8 -8.752 -3.111 -3.219
48 HA ALA 8 HA ALA 8 -10.746 -1.107 -2.450
49 HB1 ALA 8 1HB ALA 8 -8.541 -0.225 -1.792
50 HB2 ALA 8 2HB ALA 8 -8.002 -0.381 -3.464
51 HB3 ALA 8 3HB ALA 8 -9.305 0.736 -3.059
52 H ARG 9 H ARG 9 -10.868 -3.280 -4.321
53 HA ARG 9 HA ARG 9 -11.538 -3.734 -6.447
54 HB2 ARG 9 1HB ARG 9 -13.061 -1.770 -5.781
55 HB3 ARG 9 2HB ARG 9 -12.016 -0.786 -6.816
56 HG2 ARG 9 1HG ARG 9 -12.508 -2.554 -8.636
57 HG3 ARG 9 2HG ARG 9 -13.859 -3.011 -7.586
58 HD2 ARG 9 1HD ARG 9 -14.064 -0.261 -7.671
59 HD3 ARG 9 2HD ARG 9 -13.534 -0.679 -9.307
60 HE ARG 9 HE ARG 9 -15.649 -2.377 -8.515
61 HH11 ARG 9 1HH1 ARG 9 -15.000 0.900 -9.495
62 HH12 ARG 9 2HH1 ARG 9 -16.581 1.153 -10.158
63 HH21 ARG 9 1HH2 ARG 9 -17.734 -2.056 -9.384
64 HH22 ARG 9 2HH2 ARG 9 -18.135 -0.528 -10.094
65 H GLY 10 H GLY 10 -8.735 -3.051 -5.936
66 HA2 GLY 10 2HA GLY 10 -6.864 -3.072 -7.307
67 HA3 GLY 10 3HA GLY 10 -7.913 -2.793 -8.690
68 H ALA 11 H ALA 11 -8.085 -0.710 -5.917
69 HA ALA 11 HA ALA 11 -7.407 1.570 -7.530
70 HB1 ALA 11 1HB ALA 11 -9.181 1.613 -5.795
71 HB2 ALA 11 2HB ALA 11 -7.926 1.469 -4.563
72 HB3 ALA 11 3HB ALA 11 -7.978 2.890 -5.607
73 H LYS 12 H LYS 12 -5.599 2.829 -7.449
74 HA LYS 12 HA LYS 12 -3.297 1.678 -6.047
75 HB2 LYS 12 1HB LYS 12 -3.549 3.567 -8.388
76 HB3 LYS 12 2HB LYS 12 -2.008 3.279 -7.566
77 HG2 LYS 12 1HG LYS 12 -2.061 0.942 -8.141
78 HG3 LYS 12 2HG LYS 12 -3.682 1.124 -8.836
79 HD2 LYS 12 1HD LYS 12 -2.879 2.467 -10.625
80 HD3 LYS 12 2HD LYS 12 -1.299 2.663 -9.846
81 HE2 LYS 12 1HE LYS 12 -0.748 1.032 -11.349
82 HE3 LYS 12 2HE LYS 12 -1.297 0.018 -10.007
83 HZ1 LYS 12 3HZ LYS 12 -2.492 0.434 -12.603
84 HZ2 LYS 12 1HZ LYS 12 -3.592 0.468 -11.320
85 HZ3 LYS 12 2HZ LYS 12 -2.611 -0.888 -11.555
86 H CYS 13 H CYS 13 -1.749 3.126 -5.026
87 HA CYS 13 HA CYS 13 -3.108 5.393 -3.738
88 HB2 CYS 13 1HB CYS 13 -0.932 3.521 -2.867
89 HB3 CYS 13 2HB CYS 13 -1.104 5.105 -2.092
90 HA PRO 14 HA PRO 14 -0.385 8.355 -5.484
91 HB2 PRO 14 1HB PRO 14 -0.032 10.106 -3.407
92 HB3 PRO 14 2HB PRO 14 -1.539 9.957 -4.309
93 HG2 PRO 14 1HG PRO 14 -0.763 8.724 -1.688
94 HG3 PRO 14 2HG PRO 14 -2.299 9.546 -2.151
95 HD2 PRO 14 1HD PRO 14 -2.057 6.845 -2.041
96 HD3 PRO 14 2HD PRO 14 -3.097 7.665 -3.218
97 H ASN 15 H ASN 15 1.679 9.729 -4.761
98 HA ASN 15 HA ASN 15 3.727 7.773 -4.245
99 HB2 ASN 15 1HB ASN 15 3.883 10.759 -4.742
100 HB3 ASN 15 2HB ASN 15 5.282 9.685 -4.618
101 HD21 ASN 15 1HD2 ASN 15 5.255 7.792 -6.127
102 HD22 ASN 15 2HD2 ASN 15 4.706 8.082 -7.739
103 H CYS 16 H CYS 16 5.592 8.474 -2.751
104 HA CYS 16 HA CYS 16 6.371 8.866 -0.649
105 HB2 CYS 16 1HB CYS 16 5.331 11.144 -1.182
106 HB3 CYS 16 2HB CYS 16 3.980 10.632 -0.157
107 H LEU 17 H LEU 17 3.947 7.014 -1.347
108 HA LEU 17 HA LEU 17 3.450 6.251 1.447
109 HB2 LEU 17 1HB LEU 17 1.511 7.479 0.269
110 HB3 LEU 17 2HB LEU 17 1.335 5.982 -0.662
111 HG LEU 17 HG LEU 17 1.032 4.775 1.526
112 HD11 LEU 17 1HD1 LEU 17 0.663 5.931 3.515
113 HD12 LEU 17 2HD1 LEU 17 0.485 7.481 2.694
114 HD13 LEU 17 3HD1 LEU 17 2.074 6.728 2.819
115 HD21 LEU 17 3HD2 LEU 17 -0.986 6.929 0.907
116 HD22 LEU 17 1HD2 LEU 17 -1.291 5.406 1.741
117 HD23 LEU 17 2HD2 LEU 17 -0.833 5.402 0.037
118 H CYS 18 H CYS 18 2.800 3.987 1.704
119 HA CYS 18 HA CYS 18 3.843 2.289 -0.468
120 HB2 CYS 18 1HB CYS 18 4.053 1.817 2.512
121 HB3 CYS 18 2HB CYS 18 4.673 0.742 1.248
122 H CYS 19 H CYS 19 2.631 0.589 -1.096
123 HA CYS 19 HA CYS 19 0.033 0.253 0.227
124 HB2 CYS 19 1HB CYS 19 0.049 0.842 -2.176
125 HB3 CYS 19 2HB CYS 19 0.907 -0.672 -2.518
126 H GLY 20 H GLY 20 0.048 -1.318 1.705
127 HA2 GLY 20 2HA GLY 20 1.884 -3.471 1.740
128 HA3 GLY 20 3HA GLY 20 0.436 -3.339 2.727
129 H LYS 21 H LYS 21 1.774 -5.532 1.036
130 HA LYS 21 HA LYS 21 0.338 -6.279 -1.157
131 HB2 LYS 21 1HB LYS 21 2.236 -7.558 -0.302
132 HB3 LYS 21 2HB LYS 21 1.270 -8.078 1.088
133 HG2 LYS 21 1HG LYS 21 -0.119 -9.443 -0.237
134 HG3 LYS 21 2HG LYS 21 0.467 -8.701 -1.736
135 HD2 LYS 21 1HD LYS 21 2.754 -9.614 -1.181
136 HD3 LYS 21 2HD LYS 21 1.976 -10.531 0.122
137 HE2 LYS 21 1HE LYS 21 0.544 -11.672 -1.486
138 HE3 LYS 21 2HE LYS 21 1.236 -10.708 -2.798
139 HZ1 LYS 21 3HZ LYS 21 2.196 -12.957 -2.614
140 HZ2 LYS 21 1HZ LYS 21 2.806 -12.557 -1.088
141 HZ3 LYS 21 2HZ LYS 21 3.355 -11.734 -2.459
142 H TYR 22 H TYR 22 -0.710 -6.310 2.170
143 HA TYR 22 HA TYR 22 -3.095 -7.843 1.614
144 HB2 TYR 22 1HB TYR 22 -1.990 -6.462 4.052
145 HB3 TYR 22 2HB TYR 22 -3.644 -7.079 4.030
146 HD1 TYR 22 1HD TYR 22 -3.582 -9.604 2.747
147 HD2 TYR 22 2HD TYR 22 -0.631 -7.879 5.280
148 HE1 TYR 22 1HE TYR 22 -2.782 -11.853 3.336
149 HE2 TYR 22 2HE TYR 22 0.179 -10.124 5.876
150 HH TYR 22 HH TYR 22 0.156 -12.396 4.944
151 H GLY 23 H GLY 23 -2.841 -5.525 0.007
152 HA2 GLY 23 2HA GLY 23 -3.977 -3.629 -0.643
153 HA3 GLY 23 3HA GLY 23 -5.371 -4.479 0.007
154 H PHE 24 H PHE 24 -2.551 -3.154 1.703
155 HA PHE 24 HA PHE 24 -4.338 -1.238 3.038
156 HB2 PHE 24 1HB PHE 24 -3.873 -3.263 4.461
157 HB3 PHE 24 2HB PHE 24 -2.168 -2.802 4.446
158 HD1 PHE 24 1HD PHE 24 -5.501 -1.880 5.662
159 HD2 PHE 24 2HD PHE 24 -1.348 -0.950 5.726
160 HE1 PHE 24 1HE PHE 24 -5.868 -0.390 7.586
161 HE2 PHE 24 2HE PHE 24 -1.707 0.540 7.651
162 HZ PHE 24 HZ PHE 24 -3.970 0.822 8.582
163 H CYS 25 H CYS 25 -3.645 0.658 2.260
164 HA CYS 25 HA CYS 25 -0.816 1.135 1.807
165 HB2 CYS 25 1HB CYS 25 -3.347 2.633 1.220
166 HB3 CYS 25 2HB CYS 25 -1.784 3.463 1.135
167 H GLY 26 H GLY 26 0.496 2.022 3.256
168 HA2 GLY 26 2HA GLY 26 -0.559 3.963 5.169
169 HA3 GLY 26 3HA GLY 26 0.178 2.511 5.830
170 H SER 27 H SER 27 1.703 3.931 6.867
171 HA SER 27 HA SER 27 3.900 4.661 5.059
172 HB2 SER 27 1HB SER 27 2.545 6.682 5.798
173 HB3 SER 27 2HB SER 27 3.116 6.346 7.441
174 HG SER 27 HG SER 27 4.871 7.353 6.920
175 H GLY 28 H GLY 28 5.814 5.427 6.740
176 HA2 GLY 28 2HA GLY 28 7.306 4.758 8.368
177 HA3 GLY 28 3HA GLY 28 6.011 3.820 9.099
178 H ASP 29 H ASP 29 8.692 2.961 8.904
179 HA ASP 29 HA ASP 29 9.163 1.256 6.712
180 HB2 ASP 29 1HB ASP 29 10.364 1.770 9.337
181 HB3 ASP 29 2HB ASP 29 10.521 0.088 8.812
182 HD2 ASP 29 HD ASP 29 13.247 1.112 7.009
183 H ALA 30 H ALA 30 7.040 0.984 9.360
184 HA ALA 30 HA ALA 30 6.947 -1.791 9.746
185 HB1 ALA 30 1HB ALA 30 5.564 -1.094 11.332
186 HB2 ALA 30 2HB ALA 30 5.437 0.494 10.574
187 HB3 ALA 30 3HB ALA 30 4.338 -0.801 10.098
188 H TYR 31 H TYR 31 5.529 0.263 7.295
189 HA TYR 31 HA TYR 31 4.351 -2.128 6.037
190 HB2 TYR 31 1HB TYR 31 3.423 0.752 5.863
191 HB3 TYR 31 2HB TYR 31 2.724 -0.594 4.960
192 HD1 TYR 31 2HD TYR 31 2.435 -2.735 6.836
193 HD2 TYR 31 1HD TYR 31 1.900 1.438 7.473
194 HE1 TYR 31 2HE TYR 31 0.899 -3.221 8.695
195 HE2 TYR 31 1HE TYR 31 0.363 0.963 9.333
196 HH TYR 31 HH TYR 31 -0.511 -2.368 10.190
197 H CYS 32 H CYS 32 6.568 0.444 5.757
198 HA CYS 32 HA CYS 32 6.712 0.311 2.854
199 HB2 CYS 32 1HB CYS 32 8.021 1.987 4.969
200 HB3 CYS 32 2HB CYS 32 8.694 1.938 3.331
201 H GLY 33 H GLY 33 8.294 -0.995 5.638
202 HA2 GLY 33 2HA GLY 33 10.815 -1.605 4.592
203 HA3 GLY 33 3HA GLY 33 10.004 -2.507 5.864
204 H ALA 34 H ALA 34 11.651 -3.762 4.032
205 HA ALA 34 HA ALA 34 10.078 -4.902 1.907
206 HB1 ALA 34 1HB ALA 34 12.540 -6.301 2.651
207 HB2 ALA 34 2HB ALA 34 12.029 -5.646 1.094
208 HB3 ALA 34 3HB ALA 34 12.754 -4.585 2.302
209 H GLY 35 H GLY 35 8.527 -6.333 2.326
210 HA2 GLY 35 2HA GLY 35 8.774 -8.865 3.185
211 HA3 GLY 35 3HA GLY 35 8.639 -7.993 4.704
212 H SER 36 H SER 36 6.858 -5.985 3.311
213 HA SER 36 HA SER 36 4.456 -7.610 2.909
214 HB2 SER 36 1HB SER 36 4.681 -6.851 5.345
215 HB3 SER 36 2HB SER 36 4.412 -5.208 4.735
216 HG SER 36 HG SER 36 2.469 -6.274 5.414
217 H CYS 37 H CYS 37 6.398 -5.580 1.518
218 HA CYS 37 HA CYS 37 4.488 -3.579 0.619
219 HB2 CYS 37 1HB CYS 37 6.935 -3.111 1.130
220 HB3 CYS 37 2HB CYS 37 7.308 -3.960 -0.379
221 H GLN 38 H GLN 38 3.488 -3.559 -1.318
222 HA GLN 38 HA GLN 38 4.210 -5.646 -3.263
223 HB2 GLN 38 1HB GLN 38 2.257 -6.494 -2.222
224 HB3 GLN 38 2HB GLN 38 1.472 -4.907 -2.247
225 HG2 GLN 38 1HG GLN 38 1.336 -5.004 -4.694
226 HG3 GLN 38 2HG GLN 38 2.091 -6.604 -4.655
227 HE21 GLN 38 1HE2 GLN 38 -0.673 -4.822 -3.345
228 HE22 GLN 38 2HE2 GLN 38 -1.772 -6.155 -3.382
229 H SER 39 H SER 39 2.322 -2.661 -2.809
230 HA SER 39 HA SER 39 3.182 -1.828 -5.502
231 HB2 SER 39 1HB SER 39 0.900 -2.204 -5.825
232 HB3 SER 39 2HB SER 39 0.483 -1.640 -4.196
233 HG SER 39 HG SER 39 -0.039 -0.129 -5.890
234 H GLN 40 H GLN 40 3.360 0.484 -5.820
235 HA GLN 40 HA GLN 40 4.267 2.494 -5.249
236 HB2 GLN 40 1HB GLN 40 2.401 2.139 -2.892
237 HB3 GLN 40 2HB GLN 40 3.181 3.661 -3.353
238 HG2 GLN 40 1HG GLN 40 1.190 2.106 -5.005
239 HG3 GLN 40 2HG GLN 40 0.885 3.606 -4.118
240 HE21 GLN 40 1HE2 GLN 40 0.398 3.340 -6.835
241 HE22 GLN 40 2HE2 GLN 40 1.485 4.365 -7.702
242 H CYS 41 H CYS 41 5.957 0.465 -4.646
243 HA CYS 41 HA CYS 41 6.859 0.652 -1.912
244 HB2 CYS 41 1HB CYS 41 7.898 -0.750 -4.368
245 HB3 CYS 41 2HB CYS 41 8.790 -0.754 -2.836
246 H ARG 42 H ARG 42 6.987 3.113 -2.308
247 HA ARG 42 HA ARG 42 9.752 3.807 -2.418
248 HB2 ARG 42 1HB ARG 42 8.971 3.667 -4.870
249 HB3 ARG 42 2HB ARG 42 8.064 5.146 -4.516
250 HG2 ARG 42 1HG ARG 42 10.014 5.989 -5.408
251 HG3 ARG 42 2HG ARG 42 10.346 6.043 -3.668
252 HD2 ARG 42 1HD ARG 42 11.676 4.066 -3.760
253 HD3 ARG 42 2HD ARG 42 11.146 3.725 -5.413
254 HE ARG 42 HE ARG 42 13.222 5.544 -4.600
255 HH11 ARG 42 1HH1 ARG 42 10.955 4.705 -7.106
256 HH12 ARG 42 2HH1 ARG 42 11.865 5.469 -8.366
257 HH21 ARG 42 1HH2 ARG 42 14.430 6.553 -6.251
258 HH22 ARG 42 2HH2 ARG 42 13.842 6.519 -7.880
259 H GLY 43 H GLY 43 7.308 4.028 -0.726
260 HA2 GLY 43 2HA GLY 43 6.516 6.761 -0.632
261 HA3 GLY 43 3HA GLY 43 6.251 5.561 0.625
262 H CYS 44 H CYS 44 6.716 7.854 1.674
263 HA CYS 44 HA CYS 44 9.587 8.233 2.074
264 HB2 CYS 44 1HB CYS 44 7.347 9.871 3.255
265 HB3 CYS 44 2HB CYS 44 9.046 10.338 3.061
Start of MODEL 2
1 H1 ALA 1 H ALA 1 -4.279 6.849 6.326
2 HA ALA 1 HA ALA 1 -3.823 4.369 6.452
3 HB1 ALA 1 1HB ALA 1 -6.004 3.318 7.586
4 HB2 ALA 1 2HB ALA 1 -4.522 3.650 8.482
5 HB3 ALA 1 3HB ALA 1 -5.865 4.791 8.547
6 H GLN 2 H GLN 2 -4.315 3.765 4.457
7 HA GLN 2 HA GLN 2 -7.079 4.058 3.520
8 HB2 GLN 2 1HB GLN 2 -6.106 4.672 1.242
9 HB3 GLN 2 2HB GLN 2 -6.080 5.926 2.493
10 HG2 GLN 2 1HG GLN 2 -3.661 4.327 2.526
11 HG3 GLN 2 2HG GLN 2 -3.945 5.082 0.953
12 HE21 GLN 2 1HE2 GLN 2 -3.031 5.568 4.208
13 HE22 GLN 2 2HE2 GLN 2 -2.747 7.270 4.115
14 H ARG 3 H ARG 3 -7.756 2.516 2.020
15 HA ARG 3 HA ARG 3 -6.079 0.120 1.943
16 HB2 ARG 3 1HB ARG 3 -9.006 0.475 1.249
17 HB3 ARG 3 2HB ARG 3 -8.134 -1.063 1.319
18 HG2 ARG 3 1HG ARG 3 -7.650 0.015 3.805
19 HG3 ARG 3 2HG ARG 3 -9.318 0.506 3.461
20 HD2 ARG 3 1HD ARG 3 -8.209 -2.308 3.402
21 HD3 ARG 3 2HD ARG 3 -9.329 -1.627 4.590
22 HE ARG 3 HE ARG 3 -10.330 -1.489 1.908
23 HH11 ARG 3 1HH1 ARG 3 -9.985 -3.524 4.712
24 HH12 ARG 3 2HH1 ARG 3 -11.346 -4.521 4.316
25 HH21 ARG 3 1HH2 ARG 3 -12.122 -2.796 1.376
26 HH22 ARG 3 2HH2 ARG 3 -12.560 -4.107 2.419
27 H CYS 4 H CYS 4 -5.525 -0.926 0.051
28 HA CYS 4 HA CYS 4 -6.293 0.311 -2.487
29 HB2 CYS 4 1HB CYS 4 -3.864 0.096 -3.222
30 HB3 CYS 4 2HB CYS 4 -4.249 1.431 -2.121
31 H GLY 5 H GLY 5 -4.881 -1.095 -4.262
32 HA2 GLY 5 2HA GLY 5 -4.744 -3.122 -5.331
33 HA3 GLY 5 3HA GLY 5 -4.518 -3.836 -3.742
34 H ASP 6 H ASP 6 -5.764 -5.647 -4.230
35 HA ASP 6 HA ASP 6 -8.323 -5.627 -5.350
36 HB2 ASP 6 1HB ASP 6 -6.796 -7.627 -4.950
37 HB3 ASP 6 2HB ASP 6 -7.385 -7.614 -3.282
38 HD2 ASP 6 HD ASP 6 -10.521 -8.131 -5.528
39 H GLN 7 H GLN 7 -7.252 -4.708 -2.223
40 HA GLN 7 HA GLN 7 -9.802 -5.048 -0.926
41 HB2 GLN 7 1HB GLN 7 -7.259 -3.641 -0.086
42 HB3 GLN 7 2HB GLN 7 -8.699 -3.774 0.937
43 HG2 GLN 7 1HG GLN 7 -7.571 -6.282 -0.191
44 HG3 GLN 7 2HG GLN 7 -6.685 -5.478 1.112
45 HE21 GLN 7 1HE2 GLN 7 -7.096 -6.456 2.954
46 HE22 GLN 7 2HE2 GLN 7 -8.645 -6.982 3.506
47 H ALA 8 H ALA 8 -8.774 -2.955 -3.211
48 HA ALA 8 HA ALA 8 -10.742 -0.945 -2.393
49 HB1 ALA 8 1HB ALA 8 -9.299 0.896 -2.932
50 HB2 ALA 8 2HB ALA 8 -8.487 -0.129 -1.748
51 HB3 ALA 8 3HB ALA 8 -8.017 -0.201 -3.447
52 H ARG 9 H ARG 9 -10.904 -3.080 -4.302
53 HA ARG 9 HA ARG 9 -11.586 -3.489 -6.432
54 HB2 ARG 9 1HB ARG 9 -13.094 -1.532 -5.719
55 HB3 ARG 9 2HB ARG 9 -12.046 -0.532 -6.737
56 HG2 ARG 9 1HG ARG 9 -13.122 -1.149 -8.573
57 HG3 ARG 9 2HG ARG 9 -12.867 -2.860 -8.190
58 HD2 ARG 9 1HD ARG 9 -14.814 -2.479 -6.475
59 HD3 ARG 9 2HD ARG 9 -15.178 -1.093 -7.512
60 HE ARG 9 HE ARG 9 -15.592 -3.865 -8.132
61 HH11 ARG 9 1HH1 ARG 9 -15.067 -0.691 -9.461
62 HH12 ARG 9 2HH1 ARG 9 -15.817 -1.060 -10.979
63 HH21 ARG 9 1HH2 ARG 9 -16.582 -4.363 -10.125
64 HH22 ARG 9 2HH2 ARG 9 -16.679 -3.149 -11.354
65 H GLY 10 H GLY 10 -8.775 -2.832 -5.927
66 HA2 GLY 10 2HA GLY 10 -6.914 -2.842 -7.311
67 HA3 GLY 10 3HA GLY 10 -7.970 -2.531 -8.681
68 H ALA 11 H ALA 11 -8.090 -0.503 -5.860
69 HA ALA 11 HA ALA 11 -7.423 1.806 -7.437
70 HB1 ALA 11 1HB ALA 11 -7.955 3.090 -5.478
71 HB2 ALA 11 2HB ALA 11 -9.170 1.825 -5.674
72 HB3 ALA 11 3HB ALA 11 -7.898 1.647 -4.465
73 H LYS 12 H LYS 12 -5.598 3.035 -7.378
74 HA LYS 12 HA LYS 12 -3.285 1.844 -6.029
75 HB2 LYS 12 1HB LYS 12 -3.554 3.799 -8.315
76 HB3 LYS 12 2HB LYS 12 -2.003 3.452 -7.533
77 HG2 LYS 12 1HG LYS 12 -2.360 1.028 -8.083
78 HG3 LYS 12 2HG LYS 12 -3.750 1.538 -9.058
79 HD2 LYS 12 1HD LYS 12 -2.243 3.022 -10.367
80 HD3 LYS 12 2HD LYS 12 -0.874 2.367 -9.448
81 HE2 LYS 12 1HE LYS 12 -2.769 0.580 -10.970
82 HE3 LYS 12 2HE LYS 12 -1.364 1.334 -11.736
83 HZ1 LYS 12 3HZ LYS 12 -0.182 0.289 -9.629
84 HZ2 LYS 12 1HZ LYS 12 -0.412 -0.586 -11.058
85 HZ3 LYS 12 2HZ LYS 12 -1.468 -0.804 -9.755
86 H CYS 13 H CYS 13 -1.721 3.244 -4.984
87 HA CYS 13 HA CYS 13 -3.037 5.505 -3.641
88 HB2 CYS 13 1HB CYS 13 -0.883 3.584 -2.825
89 HB3 CYS 13 2HB CYS 13 -1.027 5.153 -2.015
90 HA PRO 14 HA PRO 14 -0.281 8.462 -5.346
91 HB2 PRO 14 1HB PRO 14 0.112 10.162 -3.237
92 HB3 PRO 14 2HB PRO 14 -1.404 10.057 -4.132
93 HG2 PRO 14 1HG PRO 14 -0.631 8.760 -1.540
94 HG3 PRO 14 2HG PRO 14 -2.158 9.613 -1.977
95 HD2 PRO 14 1HD PRO 14 -1.955 6.906 -1.923
96 HD3 PRO 14 2HD PRO 14 -2.989 7.766 -3.077
97 H ASN 15 H ASN 15 1.807 9.790 -4.610
98 HA ASN 15 HA ASN 15 3.827 7.794 -4.143
99 HB2 ASN 15 1HB ASN 15 4.029 10.784 -4.588
100 HB3 ASN 15 2HB ASN 15 5.411 9.684 -4.499
101 HD21 ASN 15 1HD2 ASN 15 5.872 8.336 -6.196
102 HD22 ASN 15 2HD2 ASN 15 5.103 8.467 -7.738
103 H CYS 16 H CYS 16 5.715 8.444 -2.650
104 HA CYS 16 HA CYS 16 6.513 8.789 -0.548
105 HB2 CYS 16 1HB CYS 16 5.506 11.093 -1.036
106 HB3 CYS 16 2HB CYS 16 4.152 10.583 -0.012
107 H LEU 17 H LEU 17 4.059 6.984 -1.258
108 HA LEU 17 HA LEU 17 3.567 6.185 1.526
109 HB2 LEU 17 1HB LEU 17 1.639 7.459 0.380
110 HB3 LEU 17 2HB LEU 17 1.437 5.979 -0.575
111 HG LEU 17 HG LEU 17 1.133 4.742 1.601
112 HD11 LEU 17 1HD1 LEU 17 0.658 5.949 3.590
113 HD12 LEU 17 2HD1 LEU 17 0.738 7.496 2.750
114 HD13 LEU 17 3HD1 LEU 17 2.203 6.543 2.980
115 HD21 LEU 17 3HD2 LEU 17 -0.751 5.317 0.181
116 HD22 LEU 17 1HD2 LEU 17 -0.838 6.920 0.911
117 HD23 LEU 17 2HD2 LEU 17 -1.190 5.489 1.880
118 H CYS 18 H CYS 18 2.892 3.928 1.752
119 HA CYS 18 HA CYS 18 3.899 2.247 -0.451
120 HB2 CYS 18 1HB CYS 18 4.113 1.724 2.521
121 HB3 CYS 18 2HB CYS 18 4.714 0.662 1.238
122 H CYS 19 H CYS 19 2.661 0.573 -1.099
123 HA CYS 19 HA CYS 19 0.063 0.253 0.228
124 HB2 CYS 19 1HB CYS 19 0.078 0.878 -2.165
125 HB3 CYS 19 2HB CYS 19 0.917 -0.639 -2.534
126 H GLY 20 H GLY 20 0.064 -1.336 1.685
127 HA2 GLY 20 2HA GLY 20 1.868 -3.515 1.683
128 HA3 GLY 20 3HA GLY 20 0.424 -3.376 2.674
129 H LYS 21 H LYS 21 1.728 -5.562 0.949
130 HA LYS 21 HA LYS 21 0.277 -6.258 -1.251
131 HB2 LYS 21 1HB LYS 21 2.159 -7.575 -0.430
132 HB3 LYS 21 2HB LYS 21 1.200 -8.099 0.964
133 HG2 LYS 21 1HG LYS 21 0.080 -9.662 -0.206
134 HG3 LYS 21 2HG LYS 21 0.003 -8.657 -1.663
135 HD2 LYS 21 1HD LYS 21 1.865 -9.563 -2.540
136 HD3 LYS 21 2HD LYS 21 2.711 -9.533 -0.983
137 HE2 LYS 21 1HE LYS 21 0.503 -11.515 -1.403
138 HE3 LYS 21 2HE LYS 21 2.091 -11.811 -2.129
139 HZ1 LYS 21 3HZ LYS 21 2.120 -11.033 0.668
140 HZ2 LYS 21 1HZ LYS 21 3.028 -12.210 -0.140
141 HZ3 LYS 21 2HZ LYS 21 1.443 -12.549 0.341
142 H TYR 22 H TYR 22 -0.760 -6.323 2.078
143 HA TYR 22 HA TYR 22 -3.168 -7.818 1.510
144 HB2 TYR 22 1HB TYR 22 -2.200 -6.377 3.991
145 HB3 TYR 22 2HB TYR 22 -3.718 -7.274 3.904
146 HD1 TYR 22 2HD TYR 22 -3.723 -9.726 3.654
147 HD2 TYR 22 1HD TYR 22 -0.098 -7.553 4.149
148 HE1 TYR 22 2HE TYR 22 -2.556 -11.814 4.228
149 HE2 TYR 22 1HE TYR 22 1.079 -9.636 4.721
150 HH TYR 22 HH TYR 22 0.095 -12.551 4.037
151 H GLY 23 H GLY 23 -2.887 -5.478 -0.063
152 HA2 GLY 23 2HA GLY 23 -4.002 -3.561 -0.683
153 HA3 GLY 23 3HA GLY 23 -5.405 -4.402 -0.040
154 H PHE 24 H PHE 24 -2.561 -3.136 1.662
155 HA PHE 24 HA PHE 24 -4.319 -1.217 3.031
156 HB2 PHE 24 1HB PHE 24 -3.808 -3.323 4.386
157 HB3 PHE 24 2HB PHE 24 -2.142 -2.747 4.449
158 HD1 PHE 24 1HD PHE 24 -1.741 -0.381 5.379
159 HD2 PHE 24 2HD PHE 24 -5.332 -2.584 5.983
160 HE1 PHE 24 1HE PHE 24 -2.275 1.029 7.323
161 HE2 PHE 24 2HE PHE 24 -5.872 -1.177 7.927
162 HZ PHE 24 HZ PHE 24 -4.344 0.634 8.598
163 H CYS 25 H CYS 25 -3.603 0.681 2.279
164 HA CYS 25 HA CYS 25 -0.769 1.126 1.824
165 HB2 CYS 25 1HB CYS 25 -3.281 2.668 1.266
166 HB3 CYS 25 2HB CYS 25 -1.707 3.477 1.188
167 H GLY 26 H GLY 26 0.558 1.974 3.282
168 HA2 GLY 26 2HA GLY 26 -0.464 3.902 5.226
169 HA3 GLY 26 3HA GLY 26 0.254 2.431 5.864
170 H SER 27 H SER 27 1.802 3.812 6.917
171 HA SER 27 HA SER 27 4.005 4.536 5.113
172 HB2 SER 27 1HB SER 27 2.679 6.564 5.887
173 HB3 SER 27 2HB SER 27 3.254 6.197 7.523
174 HG SER 27 HG SER 27 4.509 7.613 5.760
175 H GLY 28 H GLY 28 5.935 5.249 6.799
176 HA2 GLY 28 2HA GLY 28 7.419 4.535 8.415
177 HA3 GLY 28 3HA GLY 28 6.114 3.603 9.133
178 H ASP 29 H ASP 29 8.785 2.713 8.914
179 HA ASP 29 HA ASP 29 9.225 1.034 6.697
180 HB2 ASP 29 1HB ASP 29 10.292 0.967 9.526
181 HB3 ASP 29 2HB ASP 29 10.838 -0.145 8.264
182 HD2 ASP 29 HD ASP 29 12.639 3.199 8.425
183 H ALA 30 H ALA 30 7.108 0.752 9.347
184 HA ALA 30 HA ALA 30 6.979 -2.026 9.693
185 HB1 ALA 30 1HB ALA 30 5.022 0.195 10.155
186 HB2 ALA 30 2HB ALA 30 4.566 -1.489 10.422
187 HB3 ALA 30 3HB ALA 30 5.900 -0.782 11.334
188 H TYR 31 H TYR 31 5.574 0.081 7.278
189 HA TYR 31 HA TYR 31 4.367 -2.278 5.987
190 HB2 TYR 31 1HB TYR 31 3.474 0.614 5.861
191 HB3 TYR 31 2HB TYR 31 2.757 -0.707 4.936
192 HD1 TYR 31 2HD TYR 31 3.343 0.462 8.413
193 HD2 TYR 31 1HD TYR 31 1.060 -2.048 5.846
194 HE1 TYR 31 2HE TYR 31 1.807 -0.030 10.270
195 HE2 TYR 31 1HE TYR 31 -0.483 -2.547 7.696
196 HH TYR 31 HH TYR 31 -0.060 -2.440 10.523
197 H CYS 32 H CYS 32 6.614 0.272 5.739
198 HA CYS 32 HA CYS 32 6.748 0.181 2.834
199 HB2 CYS 32 1HB CYS 32 8.085 1.807 4.971
200 HB3 CYS 32 2HB CYS 32 8.753 1.775 3.330
201 H GLY 33 H GLY 33 8.321 -1.190 5.592
202 HA2 GLY 33 2HA GLY 33 10.832 -1.814 4.529
203 HA3 GLY 33 3HA GLY 33 10.013 -2.727 5.790
204 H ALA 34 H ALA 34 11.637 -3.974 3.935
205 HA ALA 34 HA ALA 34 10.043 -5.061 1.797
206 HB1 ALA 34 1HB ALA 34 12.453 -6.550 2.450
207 HB2 ALA 34 2HB ALA 34 11.996 -5.735 0.955
208 HB3 ALA 34 3HB ALA 34 12.749 -4.822 2.262
209 H GLY 35 H GLY 35 8.471 -6.474 2.205
210 HA2 GLY 35 2HA GLY 35 8.688 -9.024 3.021
211 HA3 GLY 35 3HA GLY 35 8.571 -8.172 4.554
212 H SER 36 H SER 36 6.813 -6.120 3.197
213 HA SER 36 HA SER 36 4.387 -7.706 2.778
214 HB2 SER 36 1HB SER 36 4.461 -7.120 5.185
215 HB3 SER 36 2HB SER 36 4.557 -5.406 4.742
216 HG SER 36 HG SER 36 2.427 -5.805 5.098
217 H CYS 37 H CYS 37 6.352 -5.683 1.410
218 HA CYS 37 HA CYS 37 4.467 -3.641 0.549
219 HB2 CYS 37 1HB CYS 37 6.923 -3.216 1.058
220 HB3 CYS 37 2HB CYS 37 7.278 -4.047 -0.466
221 H GLN 38 H GLN 38 3.461 -3.580 -1.384
222 HA GLN 38 HA GLN 38 4.147 -5.647 -3.362
223 HB2 GLN 38 1HB GLN 38 2.186 -6.481 -2.328
224 HB3 GLN 38 2HB GLN 38 1.423 -4.884 -2.326
225 HG2 GLN 38 1HG GLN 38 1.277 -4.943 -4.773
226 HG3 GLN 38 2HG GLN 38 2.009 -6.553 -4.761
227 HE21 GLN 38 1HE2 GLN 38 -0.725 -4.751 -3.415
228 HE22 GLN 38 2HE2 GLN 38 -1.843 -6.068 -3.467
229 H SER 39 H SER 39 2.297 -2.645 -2.860
230 HA SER 39 HA SER 39 3.160 -1.785 -5.543
231 HB2 SER 39 1HB SER 39 0.870 -2.123 -5.860
232 HB3 SER 39 2HB SER 39 0.469 -1.577 -4.222
233 HG SER 39 HG SER 39 1.141 -0.038 -6.484
234 H GLN 40 H GLN 40 3.361 0.533 -5.828
235 HA GLN 40 HA GLN 40 4.304 2.519 -5.232
236 HB2 GLN 40 1HB GLN 40 2.231 2.062 -3.106
237 HB3 GLN 40 2HB GLN 40 3.275 3.492 -3.048
238 HG2 GLN 40 1HG GLN 40 1.582 4.406 -4.224
239 HG3 GLN 40 2HG GLN 40 2.463 3.684 -5.578
240 HE21 GLN 40 1HE2 GLN 40 0.836 3.218 -6.935
241 HE22 GLN 40 2HE2 GLN 40 -0.476 2.155 -6.569
242 H CYS 41 H CYS 41 5.967 0.459 -4.666
243 HA CYS 41 HA CYS 41 6.881 0.594 -1.933
244 HB2 CYS 41 1HB CYS 41 7.888 -0.789 -4.413
245 HB3 CYS 41 2HB CYS 41 8.791 -0.825 -2.888
246 H ARG 42 H ARG 42 7.041 3.057 -2.291
247 HA ARG 42 HA ARG 42 9.816 3.716 -2.402
248 HB2 ARG 42 1HB ARG 42 9.051 3.623 -4.849
249 HB3 ARG 42 2HB ARG 42 8.124 5.086 -4.480
250 HG2 ARG 42 1HG ARG 42 10.032 6.375 -4.126
251 HG3 ARG 42 2HG ARG 42 11.057 4.947 -3.906
252 HD2 ARG 42 1HD ARG 42 11.030 4.430 -6.218
253 HD3 ARG 42 2HD ARG 42 9.694 5.551 -6.515
254 HE ARG 42 HE ARG 42 11.718 7.122 -5.553
255 HH11 ARG 42 1HH1 ARG 42 11.341 4.904 -8.209
256 HH12 ARG 42 2HH1 ARG 42 12.472 5.730 -9.230
257 HH21 ARG 42 1HH2 ARG 42 13.208 8.219 -6.887
258 HH22 ARG 42 2HH2 ARG 42 13.533 7.615 -8.477
259 H GLY 43 H GLY 43 7.383 3.943 -0.696
260 HA2 GLY 43 2HA GLY 43 6.627 6.683 -0.556
261 HA3 GLY 43 3HA GLY 43 6.355 5.468 0.686
262 H CYS 44 H CYS 44 6.853 7.728 1.778
263 HA CYS 44 HA CYS 44 9.732 8.066 2.164
264 HB2 CYS 44 1HB CYS 44 7.522 9.723 3.374
265 HB3 CYS 44 2HB CYS 44 9.228 10.165 3.178
Start of MODEL 3
1 H1 ALA 1 H ALA 1 -4.109 6.482 5.720
2 HA ALA 1 HA ALA 1 -4.213 3.859 6.679
3 HB1 ALA 1 1HB ALA 1 -6.049 3.808 8.155
4 HB2 ALA 1 2HB ALA 1 -5.011 5.113 8.733
5 HB3 ALA 1 3HB ALA 1 -6.470 5.487 7.814
6 H GLN 2 H GLN 2 -4.365 3.662 4.390
7 HA GLN 2 HA GLN 2 -7.121 3.913 3.421
8 HB2 GLN 2 1HB GLN 2 -6.143 4.536 1.154
9 HB3 GLN 2 2HB GLN 2 -6.122 5.792 2.403
10 HG2 GLN 2 1HG GLN 2 -3.700 4.170 2.399
11 HG3 GLN 2 2HG GLN 2 -3.988 5.002 0.864
12 HE21 GLN 2 1HE2 GLN 2 -4.785 7.360 1.244
13 HE22 GLN 2 2HE2 GLN 2 -3.825 8.275 2.351
14 H ARG 3 H ARG 3 -7.762 2.355 1.920
15 HA ARG 3 HA ARG 3 -6.054 -0.021 1.876
16 HB2 ARG 3 1HB ARG 3 -8.976 0.296 1.148
17 HB3 ARG 3 2HB ARG 3 -8.087 -1.231 1.232
18 HG2 ARG 3 1HG ARG 3 -7.803 -1.031 3.602
19 HG3 ARG 3 2HG ARG 3 -8.480 0.605 3.581
20 HD2 ARG 3 1HD ARG 3 -10.400 -0.442 4.150
21 HD3 ARG 3 2HD ARG 3 -10.492 -0.765 2.413
22 HE ARG 3 HE ARG 3 -9.065 -2.864 3.365
23 HH11 ARG 3 1HH1 ARG 3 -12.129 -1.445 4.214
24 HH12 ARG 3 2HH1 ARG 3 -12.819 -2.940 4.754
25 HH21 ARG 3 1HH2 ARG 3 -9.962 -4.838 4.073
26 HH22 ARG 3 2HH2 ARG 3 -11.585 -4.869 4.674
27 H CYS 4 H CYS 4 -5.463 -1.067 -0.005
28 HA CYS 4 HA CYS 4 -6.218 0.146 -2.559
29 HB2 CYS 4 1HB CYS 4 -3.778 -0.042 -3.261
30 HB3 CYS 4 2HB CYS 4 -4.193 1.295 -2.175
31 H GLY 5 H GLY 5 -4.766 -1.250 -4.308
32 HA2 GLY 5 2HA GLY 5 -4.587 -3.282 -5.364
33 HA3 GLY 5 3HA GLY 5 -4.374 -3.984 -3.768
34 H ASP 6 H ASP 6 -5.591 -5.812 -4.253
35 HA ASP 6 HA ASP 6 -8.132 -5.834 -5.414
36 HB2 ASP 6 1HB ASP 6 -6.701 -7.840 -5.087
37 HB3 ASP 6 2HB ASP 6 -7.048 -7.767 -3.355
38 HD2 ASP 6 HD ASP 6 -9.968 -9.479 -3.780
39 H GLN 7 H GLN 7 -7.123 -4.869 -2.281
40 HA GLN 7 HA GLN 7 -9.690 -5.228 -1.021
41 HB2 GLN 7 1HB GLN 7 -7.157 -3.821 -0.164
42 HB3 GLN 7 2HB GLN 7 -8.618 -3.890 0.834
43 HG2 GLN 7 1HG GLN 7 -7.448 -6.434 -0.199
44 HG3 GLN 7 2HG GLN 7 -6.687 -5.615 1.171
45 HE21 GLN 7 1HE2 GLN 7 -7.194 -7.151 2.676
46 HE22 GLN 7 2HE2 GLN 7 -8.807 -7.462 3.208
47 H ALA 8 H ALA 8 -8.652 -3.148 -3.311
48 HA ALA 8 HA ALA 8 -10.650 -1.150 -2.540
49 HB1 ALA 8 1HB ALA 8 -9.209 0.700 -3.109
50 HB2 ALA 8 2HB ALA 8 -8.438 -0.284 -1.865
51 HB3 ALA 8 3HB ALA 8 -7.906 -0.406 -3.542
52 H ARG 9 H ARG 9 -10.757 -3.307 -4.432
53 HA ARG 9 HA ARG 9 -11.411 -3.743 -6.567
54 HB2 ARG 9 1HB ARG 9 -12.949 -1.799 -5.901
55 HB3 ARG 9 2HB ARG 9 -11.889 -0.791 -6.898
56 HG2 ARG 9 1HG ARG 9 -12.470 -2.934 -8.549
57 HG3 ARG 9 2HG ARG 9 -13.990 -2.620 -7.693
58 HD2 ARG 9 1HD ARG 9 -13.138 -0.082 -8.333
59 HD3 ARG 9 2HD ARG 9 -12.621 -1.036 -9.730
60 HE ARG 9 HE ARG 9 -14.804 -1.190 -10.362
61 HH11 ARG 9 1HH1 ARG 9 -14.684 -0.443 -6.963
62 HH12 ARG 9 2HH1 ARG 9 -16.399 -0.255 -6.810
63 HH21 ARG 9 1HH2 ARG 9 -17.064 -0.946 -10.173
64 HH22 ARG 9 2HH2 ARG 9 -17.752 -0.543 -8.637
65 H GLY 10 H GLY 10 -8.612 -3.062 -6.028
66 HA2 GLY 10 2HA GLY 10 -6.731 -3.072 -7.385
67 HA3 GLY 10 3HA GLY 10 -7.770 -2.782 -8.773
68 H ALA 11 H ALA 11 -7.965 -0.721 -5.985
69 HA ALA 11 HA ALA 11 -7.278 1.572 -7.573
70 HB1 ALA 11 1HB ALA 11 -9.060 1.600 -5.848
71 HB2 ALA 11 2HB ALA 11 -7.813 1.445 -4.610
72 HB3 ALA 11 3HB ALA 11 -7.860 2.875 -5.641
73 H LYS 12 H LYS 12 -5.474 2.839 -7.463
74 HA LYS 12 HA LYS 12 -3.177 1.674 -6.063
75 HB2 LYS 12 1HB LYS 12 -3.457 3.524 -8.423
76 HB3 LYS 12 2HB LYS 12 -1.919 3.368 -7.560
77 HG2 LYS 12 1HG LYS 12 -1.462 1.686 -8.940
78 HG3 LYS 12 2HG LYS 12 -2.649 0.752 -8.013
79 HD2 LYS 12 1HD LYS 12 -4.425 1.432 -9.548
80 HD3 LYS 12 2HD LYS 12 -3.262 2.410 -10.460
81 HE2 LYS 12 1HE LYS 12 -2.121 -0.155 -10.285
82 HE3 LYS 12 2HE LYS 12 -3.833 -0.403 -10.661
83 HZ1 LYS 12 3HZ LYS 12 -2.140 -0.037 -12.565
84 HZ2 LYS 12 1HZ LYS 12 -2.301 1.601 -12.173
85 HZ3 LYS 12 2HZ LYS 12 -3.657 0.708 -12.648
86 H CYS 13 H CYS 13 -1.638 3.110 -5.013
87 HA CYS 13 HA CYS 13 -3.007 5.363 -3.713
88 HB2 CYS 13 1HB CYS 13 -0.837 3.483 -2.846
89 HB3 CYS 13 2HB CYS 13 -1.016 5.057 -2.054
90 HA PRO 14 HA PRO 14 -0.271 8.344 -5.406
91 HB2 PRO 14 1HB PRO 14 0.069 10.070 -3.308
92 HB3 PRO 14 2HB PRO 14 -1.432 9.934 -4.222
93 HG2 PRO 14 1HG PRO 14 -0.676 8.671 -1.608
94 HG3 PRO 14 2HG PRO 14 -2.209 9.499 -2.074
95 HD2 PRO 14 1HD PRO 14 -1.970 6.797 -1.992
96 HD3 PRO 14 2HD PRO 14 -3.000 7.630 -3.168
97 H ASN 15 H ASN 15 1.788 9.710 -4.652
98 HA ASN 15 HA ASN 15 3.831 7.747 -4.142
99 HB2 ASN 15 1HB ASN 15 4.080 10.745 -4.515
100 HB3 ASN 15 2HB ASN 15 5.402 9.574 -4.573
101 HD21 ASN 15 1HD2 ASN 15 2.538 10.725 -6.202
102 HD22 ASN 15 2HD2 ASN 15 2.908 10.048 -7.748
103 H CYS 16 H CYS 16 5.686 8.433 -2.627
104 HA CYS 16 HA CYS 16 6.450 8.803 -0.516
105 HB2 CYS 16 1HB CYS 16 5.416 11.088 -1.033
106 HB3 CYS 16 2HB CYS 16 4.055 10.565 -0.025
107 H LEU 17 H LEU 17 4.030 6.959 -1.250
108 HA LEU 17 HA LEU 17 3.513 6.169 1.532
109 HB2 LEU 17 1HB LEU 17 1.586 7.410 0.354
110 HB3 LEU 17 2HB LEU 17 1.414 5.923 -0.594
111 HG LEU 17 HG LEU 17 1.098 4.694 1.583
112 HD11 LEU 17 1HD1 LEU 17 0.417 6.030 3.520
113 HD12 LEU 17 2HD1 LEU 17 0.846 7.502 2.649
114 HD13 LEU 17 3HD1 LEU 17 2.096 6.333 3.071
115 HD21 LEU 17 3HD2 LEU 17 -0.911 6.845 0.924
116 HD22 LEU 17 1HD2 LEU 17 -1.232 5.348 1.799
117 HD23 LEU 17 2HD2 LEU 17 -0.762 5.292 0.100
118 H CYS 18 H CYS 18 2.866 3.903 1.763
119 HA CYS 18 HA CYS 18 3.920 2.225 -0.419
120 HB2 CYS 18 1HB CYS 18 4.110 1.724 2.557
121 HB3 CYS 18 2HB CYS 18 4.742 0.662 1.286
122 H CYS 19 H CYS 19 2.712 0.532 -1.072
123 HA CYS 19 HA CYS 19 0.106 0.184 0.230
124 HB2 CYS 19 1HB CYS 19 0.140 0.792 -2.168
125 HB3 CYS 19 2HB CYS 19 1.000 -0.717 -2.516
126 H GLY 20 H GLY 20 0.105 -1.400 1.694
127 HA2 GLY 20 2HA GLY 20 1.942 -3.553 1.725
128 HA3 GLY 20 3HA GLY 20 0.486 -3.428 2.702
129 H LYS 21 H LYS 21 1.837 -5.607 1.005
130 HA LYS 21 HA LYS 21 0.420 -6.337 -1.206
131 HB2 LYS 21 1HB LYS 21 2.297 -7.636 -0.386
132 HB3 LYS 21 2HB LYS 21 1.367 -8.128 1.038
133 HG2 LYS 21 1HG LYS 21 0.009 -9.573 -0.171
134 HG3 LYS 21 2HG LYS 21 0.385 -8.779 -1.711
135 HD2 LYS 21 1HD LYS 21 2.572 -9.710 -1.776
136 HD3 LYS 21 2HD LYS 21 2.452 -10.256 -0.094
137 HE2 LYS 21 1HE LYS 21 0.536 -11.741 -0.817
138 HE3 LYS 21 2HE LYS 21 0.960 -11.321 -2.484
139 HZ1 LYS 21 3HZ LYS 21 2.237 -13.156 -0.693
140 HZ2 LYS 21 1HZ LYS 21 3.334 -12.076 -1.396
141 HZ3 LYS 21 2HZ LYS 21 2.348 -13.039 -2.377
142 H TYR 22 H TYR 22 -0.655 -6.395 2.113
143 HA TYR 22 HA TYR 22 -3.038 -7.921 1.525
144 HB2 TYR 22 1HB TYR 22 -2.181 -6.423 4.014
145 HB3 TYR 22 2HB TYR 22 -3.619 -7.439 3.897
146 HD1 TYR 22 1HD TYR 22 0.085 -7.584 3.541
147 HD2 TYR 22 2HD TYR 22 -3.502 -9.727 4.343
148 HE1 TYR 22 1HE TYR 22 1.411 -9.564 4.148
149 HE2 TYR 22 2HE TYR 22 -2.186 -11.713 4.953
150 HH TYR 22 HH TYR 22 0.797 -11.751 5.808
151 H GLY 23 H GLY 23 -2.768 -5.589 -0.060
152 HA2 GLY 23 2HA GLY 23 -3.898 -3.688 -0.703
153 HA3 GLY 23 3HA GLY 23 -5.298 -4.543 -0.072
154 H PHE 24 H PHE 24 -2.490 -3.232 1.656
155 HA PHE 24 HA PHE 24 -4.287 -1.327 2.993
156 HB2 PHE 24 1HB PHE 24 -3.738 -3.439 4.351
157 HB3 PHE 24 2HB PHE 24 -2.100 -2.789 4.461
158 HD1 PHE 24 2HD PHE 24 -5.586 -2.282 5.473
159 HD2 PHE 24 1HD PHE 24 -1.579 -0.892 5.829
160 HE1 PHE 24 2HE PHE 24 -6.241 -0.899 7.398
161 HE2 PHE 24 1HE PHE 24 -2.226 0.493 7.756
162 HZ PHE 24 HZ PHE 24 -4.561 0.492 8.542
163 H CYS 25 H CYS 25 -3.587 0.575 2.238
164 HA CYS 25 HA CYS 25 -0.755 1.054 1.812
165 HB2 CYS 25 1HB CYS 25 -3.280 2.560 1.218
166 HB3 CYS 25 2HB CYS 25 -1.716 3.389 1.151
167 H GLY 26 H GLY 26 0.546 1.928 3.279
168 HA2 GLY 26 2HA GLY 26 -0.524 3.854 5.201
169 HA3 GLY 26 3HA GLY 26 0.207 2.395 5.854
170 H SER 27 H SER 27 1.724 3.804 6.916
171 HA SER 27 HA SER 27 3.936 4.550 5.132
172 HB2 SER 27 1HB SER 27 2.574 6.562 5.881
173 HB3 SER 27 2HB SER 27 3.139 6.212 7.524
174 HG SER 27 HG SER 27 4.641 7.010 5.276
175 H GLY 28 H GLY 28 5.839 5.297 6.833
176 HA2 GLY 28 2HA GLY 28 7.318 4.610 8.465
177 HA3 GLY 28 3HA GLY 28 6.016 3.670 9.180
178 H ASP 29 H ASP 29 8.698 2.807 8.995
179 HA ASP 29 HA ASP 29 9.181 1.119 6.794
180 HB2 ASP 29 1HB ASP 29 10.361 1.611 9.430
181 HB3 ASP 29 2HB ASP 29 10.515 -0.070 8.900
182 HD2 ASP 29 HD ASP 29 12.242 2.604 6.518
183 H ALA 30 H ALA 30 7.033 0.831 9.420
184 HA ALA 30 HA ALA 30 6.928 -1.946 9.784
185 HB1 ALA 30 1HB ALA 30 5.503 -1.285 11.347
186 HB2 ALA 30 2HB ALA 30 5.440 0.328 10.637
187 HB3 ALA 30 3HB ALA 30 4.316 -0.919 10.095
188 H TYR 31 H TYR 31 5.532 0.129 7.335
189 HA TYR 31 HA TYR 31 4.372 -2.254 6.044
190 HB2 TYR 31 1HB TYR 31 3.442 0.626 5.898
191 HB3 TYR 31 2HB TYR 31 2.759 -0.702 4.958
192 HD1 TYR 31 2HD TYR 31 1.511 -2.528 6.085
193 HD2 TYR 31 1HD TYR 31 2.825 0.923 8.199
194 HE1 TYR 31 2HE TYR 31 -0.057 -3.054 7.907
195 HE2 TYR 31 1HE TYR 31 1.262 0.406 10.026
196 HH TYR 31 HH TYR 31 -0.523 -0.857 10.620
197 H CYS 32 H CYS 32 6.589 0.323 5.809
198 HA CYS 32 HA CYS 32 6.761 0.217 2.907
199 HB2 CYS 32 1HB CYS 32 8.050 1.873 5.052
200 HB3 CYS 32 2HB CYS 32 8.739 1.840 3.419
201 H GLY 33 H GLY 33 8.318 -1.115 5.694
202 HA2 GLY 33 2HA GLY 33 10.848 -1.715 4.665
203 HA3 GLY 33 3HA GLY 33 10.027 -2.628 5.921
204 H ALA 34 H ALA 34 11.688 -3.869 4.097
205 HA ALA 34 HA ALA 34 10.135 -4.990 1.947
206 HB1 ALA 34 1HB ALA 34 12.216 -6.557 1.866
207 HB2 ALA 34 2HB ALA 34 12.363 -4.870 1.374
208 HB3 ALA 34 3HB ALA 34 12.912 -5.374 2.973
209 H GLY 35 H GLY 35 8.580 -6.426 2.338
210 HA2 GLY 35 2HA GLY 35 8.818 -8.964 3.176
211 HA3 GLY 35 3HA GLY 35 8.673 -8.106 4.703
212 H SER 36 H SER 36 6.905 -6.084 3.313
213 HA SER 36 HA SER 36 4.503 -7.703 2.879
214 HB2 SER 36 1HB SER 36 4.522 -7.113 5.277
215 HB3 SER 36 2HB SER 36 4.644 -5.398 4.841
216 HG SER 36 HG SER 36 2.495 -5.860 5.207
217 H CYS 37 H CYS 37 6.459 -5.664 1.519
218 HA CYS 37 HA CYS 37 4.557 -3.652 0.621
219 HB2 CYS 37 1HB CYS 37 7.003 -3.196 1.155
220 HB3 CYS 37 2HB CYS 37 7.383 -4.028 -0.362
221 H GLN 38 H GLN 38 3.571 -3.619 -1.322
222 HA GLN 38 HA GLN 38 4.306 -5.689 -3.279
223 HB2 GLN 38 1HB GLN 38 2.346 -6.545 -2.257
224 HB3 GLN 38 2HB GLN 38 1.561 -4.959 -2.277
225 HG2 GLN 38 1HG GLN 38 1.444 -5.041 -4.727
226 HG3 GLN 38 2HG GLN 38 2.199 -6.640 -4.690
227 HE21 GLN 38 1HE2 GLN 38 -0.575 -4.866 -3.392
228 HE22 GLN 38 2HE2 GLN 38 -1.674 -6.198 -3.445
229 H SER 39 H SER 39 2.416 -2.708 -2.812
230 HA SER 39 HA SER 39 3.292 -1.853 -5.492
231 HB2 SER 39 1HB SER 39 1.011 -2.227 -5.832
232 HB3 SER 39 2HB SER 39 0.585 -1.675 -4.201
233 HG SER 39 HG SER 39 0.719 -0.250 -6.475
234 H GLN 40 H GLN 40 3.464 0.465 -5.790
235 HA GLN 40 HA GLN 40 4.371 2.469 -5.198
236 HB2 GLN 40 1HB GLN 40 2.502 2.102 -2.844
237 HB3 GLN 40 2HB GLN 40 3.269 3.627 -3.313
238 HG2 GLN 40 1HG GLN 40 1.402 2.066 -5.093
239 HG3 GLN 40 2HG GLN 40 0.900 3.392 -4.036
240 HE21 GLN 40 1HE2 GLN 40 0.725 3.213 -6.916
241 HE22 GLN 40 2HE2 GLN 40 1.626 4.545 -7.548
242 H CYS 41 H CYS 41 6.057 0.433 -4.599
243 HA CYS 41 HA CYS 41 6.942 0.600 -1.858
244 HB2 CYS 41 1HB CYS 41 7.993 -0.786 -4.318
245 HB3 CYS 41 2HB CYS 41 8.877 -0.800 -2.782
246 H ARG 42 H ARG 42 7.073 3.062 -2.234
247 HA ARG 42 HA ARG 42 9.839 3.757 -2.322
248 HB2 ARG 42 1HB ARG 42 9.123 3.636 -4.773
249 HB3 ARG 42 2HB ARG 42 8.142 5.070 -4.436
250 HG2 ARG 42 1HG ARG 42 9.928 6.455 -4.317
251 HG3 ARG 42 2HG ARG 42 10.979 5.205 -3.630
252 HD2 ARG 42 1HD ARG 42 11.185 4.134 -5.815
253 HD3 ARG 42 2HD ARG 42 10.087 5.334 -6.509
254 HE ARG 42 HE ARG 42 12.333 6.570 -5.268
255 HH11 ARG 42 1HH1 ARG 42 11.301 4.889 -8.137
256 HH12 ARG 42 2HH1 ARG 42 12.498 5.620 -9.154
257 HH21 ARG 42 1HH2 ARG 42 13.914 7.539 -6.597
258 HH22 ARG 42 2HH2 ARG 42 13.984 7.127 -8.275
259 H GLY 43 H GLY 43 7.385 3.967 -0.643
260 HA2 GLY 43 2HA GLY 43 6.597 6.701 -0.533
261 HA3 GLY 43 3HA GLY 43 6.316 5.490 0.710
262 H CYS 44 H CYS 44 6.778 7.768 1.789
263 HA CYS 44 HA CYS 44 9.646 8.141 2.214
264 HB2 CYS 44 1HB CYS 44 7.396 9.762 3.403
265 HB3 CYS 44 2HB CYS 44 9.096 10.231 3.228
Start of MODEL 4
1 H1 ALA 1 H ALA 1 -4.364 6.363 8.012
2 HA ALA 1 HA ALA 1 -3.745 4.841 6.319
3 HB1 ALA 1 1HB ALA 1 -5.631 3.720 8.321
4 HB2 ALA 1 2HB ALA 1 -5.136 2.689 6.977
5 HB3 ALA 1 3HB ALA 1 -3.922 3.375 8.056
6 H GLN 2 H GLN 2 -4.272 3.697 4.435
7 HA GLN 2 HA GLN 2 -7.024 3.959 3.457
8 HB2 GLN 2 1HB GLN 2 -6.049 4.580 1.193
9 HB3 GLN 2 2HB GLN 2 -6.003 5.833 2.444
10 HG2 GLN 2 1HG GLN 2 -3.596 4.274 2.554
11 HG3 GLN 2 2HG GLN 2 -3.873 4.857 0.906
12 HE21 GLN 2 1HE2 GLN 2 -2.856 5.662 4.036
13 HE22 GLN 2 2HE2 GLN 2 -2.623 7.355 3.786
14 H ARG 3 H ARG 3 -7.666 2.399 1.959
15 HA ARG 3 HA ARG 3 -5.968 0.016 1.926
16 HB2 ARG 3 1HB ARG 3 -8.885 0.341 1.180
17 HB3 ARG 3 2HB ARG 3 -8.002 -1.189 1.281
18 HG2 ARG 3 1HG ARG 3 -8.149 -1.296 3.521
19 HG3 ARG 3 2HG ARG 3 -7.925 0.451 3.716
20 HD2 ARG 3 1HD ARG 3 -10.187 -0.409 4.407
21 HD3 ARG 3 2HD ARG 3 -10.205 0.892 3.209
22 HE ARG 3 HE ARG 3 -10.268 -1.722 2.030
23 HH11 ARG 3 1HH1 ARG 3 -12.189 0.811 3.451
24 HH12 ARG 3 2HH1 ARG 3 -13.645 0.342 2.637
25 HH21 ARG 3 1HH2 ARG 3 -12.179 -2.350 0.953
26 HH22 ARG 3 2HH2 ARG 3 -13.639 -1.457 1.218
27 H CYS 4 H CYS 4 -5.371 -1.035 0.051
28 HA CYS 4 HA CYS 4 -6.111 0.172 -2.509
29 HB2 CYS 4 1HB CYS 4 -3.664 -0.028 -3.198
30 HB3 CYS 4 2HB CYS 4 -4.087 1.319 -2.127
31 H GLY 5 H GLY 5 -4.657 -1.232 -4.250
32 HA2 GLY 5 2HA GLY 5 -4.475 -3.266 -5.298
33 HA3 GLY 5 3HA GLY 5 -4.272 -3.965 -3.698
34 H ASP 6 H ASP 6 -5.490 -5.793 -4.208
35 HA ASP 6 HA ASP 6 -8.029 -5.802 -5.372
36 HB2 ASP 6 1HB ASP 6 -6.289 -7.723 -4.523
37 HB3 ASP 6 2HB ASP 6 -7.560 -7.849 -3.301
38 HD2 ASP 6 HD ASP 6 -9.714 -9.371 -5.488
39 H GLN 7 H GLN 7 -7.023 -4.861 -2.230
40 HA GLN 7 HA GLN 7 -9.592 -5.224 -0.975
41 HB2 GLN 7 1HB GLN 7 -7.086 -3.776 -0.094
42 HB3 GLN 7 2HB GLN 7 -8.540 -3.945 0.905
43 HG2 GLN 7 1HG GLN 7 -7.212 -6.378 -0.222
44 HG3 GLN 7 2HG GLN 7 -6.560 -5.588 1.218
45 HE21 GLN 7 1HE2 GLN 7 -8.565 -7.959 0.189
46 HE22 GLN 7 2HE2 GLN 7 -9.580 -8.112 1.578
47 H ALA 8 H ALA 8 -8.545 -3.128 -3.251
48 HA ALA 8 HA ALA 8 -10.547 -1.135 -2.475
49 HB1 ALA 8 1HB ALA 8 -8.349 -0.264 -1.781
50 HB2 ALA 8 2HB ALA 8 -7.791 -0.395 -3.449
51 HB3 ALA 8 3HB ALA 8 -9.099 0.716 -3.042
52 H ARG 9 H ARG 9 -10.653 -3.279 -4.378
53 HA ARG 9 HA ARG 9 -11.297 -3.703 -6.518
54 HB2 ARG 9 1HB ARG 9 -12.824 -1.741 -5.831
55 HB3 ARG 9 2HB ARG 9 -11.777 -0.754 -6.860
56 HG2 ARG 9 1HG ARG 9 -13.125 -1.294 -8.544
57 HG3 ARG 9 2HG ARG 9 -12.390 -2.904 -8.469
58 HD2 ARG 9 1HD ARG 9 -14.133 -3.581 -6.822
59 HD3 ARG 9 2HD ARG 9 -14.894 -2.000 -7.053
60 HE ARG 9 HE ARG 9 -15.104 -4.253 -8.775
61 HH11 ARG 9 1HH1 ARG 9 -14.998 -0.774 -8.747
62 HH12 ARG 9 2HH1 ARG 9 -15.898 -0.605 -10.218
63 HH21 ARG 9 1HH2 ARG 9 -16.290 -4.044 -10.712
64 HH22 ARG 9 2HH2 ARG 9 -16.634 -2.466 -11.334
65 H GLY 10 H GLY 10 -8.502 -3.019 -5.967
66 HA2 GLY 10 2HA GLY 10 -6.616 -3.016 -7.319
67 HA3 GLY 10 3HA GLY 10 -7.651 -2.721 -8.708
68 H ALA 11 H ALA 11 -7.845 -0.680 -5.901
69 HA ALA 11 HA ALA 11 -7.168 1.627 -7.476
70 HB1 ALA 11 1HB ALA 11 -8.949 1.639 -5.749
71 HB2 ALA 11 2HB ALA 11 -7.701 1.476 -4.514
72 HB3 ALA 11 3HB ALA 11 -7.750 2.915 -5.533
73 H LYS 12 H LYS 12 -5.341 2.836 -7.429
74 HA LYS 12 HA LYS 12 -3.051 1.687 -6.012
75 HB2 LYS 12 1HB LYS 12 -3.345 3.524 -8.376
76 HB3 LYS 12 2HB LYS 12 -1.804 3.398 -7.512
77 HG2 LYS 12 1HG LYS 12 -1.298 1.443 -8.458
78 HG3 LYS 12 2HG LYS 12 -2.928 0.802 -8.186
79 HD2 LYS 12 1HD LYS 12 -2.327 2.804 -10.361
80 HD3 LYS 12 2HD LYS 12 -2.183 1.055 -10.607
81 HE2 LYS 12 1HE LYS 12 -4.413 0.755 -10.709
82 HE3 LYS 12 2HE LYS 12 -4.704 1.866 -9.363
83 HZ1 LYS 12 3HZ LYS 12 -5.486 2.455 -11.765
84 HZ2 LYS 12 1HZ LYS 12 -3.890 2.985 -11.950
85 HZ3 LYS 12 2HZ LYS 12 -4.871 3.658 -10.747
86 H CYS 13 H CYS 13 -1.510 3.113 -4.959
87 HA CYS 13 HA CYS 13 -2.867 5.371 -3.656
88 HB2 CYS 13 1HB CYS 13 -0.710 3.478 -2.790
89 HB3 CYS 13 2HB CYS 13 -0.879 5.054 -1.997
90 HA PRO 14 HA PRO 14 -0.115 8.339 -5.346
91 HB2 PRO 14 1HB PRO 14 0.232 10.062 -3.245
92 HB3 PRO 14 2HB PRO 14 -1.269 9.934 -4.161
93 HG2 PRO 14 1HG PRO 14 -0.521 8.666 -1.548
94 HG3 PRO 14 2HG PRO 14 -2.050 9.501 -2.013
95 HD2 PRO 14 1HD PRO 14 -1.824 6.798 -1.934
96 HD3 PRO 14 2HD PRO 14 -2.849 7.638 -3.110
97 H ASN 15 H ASN 15 1.950 9.695 -4.584
98 HA ASN 15 HA ASN 15 3.983 7.721 -4.078
99 HB2 ASN 15 1HB ASN 15 4.199 10.717 -4.490
100 HB3 ASN 15 2HB ASN 15 5.559 9.588 -4.453
101 HD21 ASN 15 1HD2 ASN 15 3.540 11.236 -6.441
102 HD22 ASN 15 2HD2 ASN 15 3.685 10.274 -7.867
103 H CYS 16 H CYS 16 5.838 8.387 -2.557
104 HA CYS 16 HA CYS 16 6.599 8.744 -0.443
105 HB2 CYS 16 1HB CYS 16 5.589 11.040 -0.958
106 HB3 CYS 16 2HB CYS 16 4.223 10.529 0.047
107 H LEU 17 H LEU 17 4.167 6.923 -1.185
108 HA LEU 17 HA LEU 17 3.631 6.138 1.595
109 HB2 LEU 17 1HB LEU 17 1.717 7.391 0.404
110 HB3 LEU 17 2HB LEU 17 1.543 5.903 -0.544
111 HG LEU 17 HG LEU 17 1.212 4.682 1.639
112 HD11 LEU 17 1HD1 LEU 17 0.771 5.851 3.618
113 HD12 LEU 17 2HD1 LEU 17 0.657 7.400 2.784
114 HD13 LEU 17 3HD1 LEU 17 2.224 6.612 2.967
115 HD21 LEU 17 3HD2 LEU 17 -1.115 5.287 1.798
116 HD22 LEU 17 1HD2 LEU 17 -0.622 5.320 0.106
117 HD23 LEU 17 2HD2 LEU 17 -0.807 6.829 1.000
118 H CYS 18 H CYS 18 2.972 3.878 1.827
119 HA CYS 18 HA CYS 18 4.018 2.189 -0.350
120 HB2 CYS 18 1HB CYS 18 4.212 1.685 2.625
121 HB3 CYS 18 2HB CYS 18 4.848 0.631 1.350
122 H CYS 19 H CYS 19 2.804 0.493 -0.989
123 HA CYS 19 HA CYS 19 0.196 0.167 0.315
124 HB2 CYS 19 1HB CYS 19 0.245 0.749 -2.092
125 HB3 CYS 19 2HB CYS 19 1.087 -0.774 -2.418
126 H GLY 20 H GLY 20 0.157 -1.412 1.779
127 HA2 GLY 20 2HA GLY 20 1.994 -3.569 1.845
128 HA3 GLY 20 3HA GLY 20 0.536 -3.429 2.813
129 H LYS 21 H LYS 21 1.879 -5.634 1.152
130 HA LYS 21 HA LYS 21 0.478 -6.382 -1.062
131 HB2 LYS 21 1HB LYS 21 2.355 -7.660 -0.120
132 HB3 LYS 21 2HB LYS 21 1.311 -8.204 1.204
133 HG2 LYS 21 1HG LYS 21 0.085 -9.623 -0.148
134 HG3 LYS 21 2HG LYS 21 0.525 -8.747 -1.625
135 HD2 LYS 21 1HD LYS 21 2.848 -9.548 -1.402
136 HD3 LYS 21 2HD LYS 21 2.368 -10.462 0.040
137 HE2 LYS 21 1HE LYS 21 1.392 -12.104 -1.158
138 HE3 LYS 21 2HE LYS 21 0.696 -10.961 -2.316
139 HZ1 LYS 21 3HZ LYS 21 3.205 -12.408 -2.434
140 HZ2 LYS 21 1HZ LYS 21 3.280 -10.797 -2.945
141 HZ3 LYS 21 2HZ LYS 21 2.203 -11.870 -3.687
142 H TYR 22 H TYR 22 -0.630 -6.400 2.248
143 HA TYR 22 HA TYR 22 -3.024 -7.902 1.646
144 HB2 TYR 22 1HB TYR 22 -2.118 -6.426 4.131
145 HB3 TYR 22 2HB TYR 22 -3.625 -7.340 4.021
146 HD1 TYR 22 2HD TYR 22 -3.391 -9.840 3.251
147 HD2 TYR 22 1HD TYR 22 -0.218 -7.532 4.899
148 HE1 TYR 22 2HE TYR 22 -2.216 -11.910 3.872
149 HE2 TYR 22 1HE TYR 22 0.966 -9.595 5.523
150 HH TYR 22 HH TYR 22 0.599 -11.889 5.895
151 H GLY 23 H GLY 23 -2.719 -5.587 0.047
152 HA2 GLY 23 2HA GLY 23 -3.817 -3.675 -0.617
153 HA3 GLY 23 3HA GLY 23 -5.232 -4.509 0.007
154 H PHE 24 H PHE 24 -2.426 -3.219 1.751
155 HA PHE 24 HA PHE 24 -4.217 -1.292 3.066
156 HB2 PHE 24 1HB PHE 24 -3.717 -3.375 4.456
157 HB3 PHE 24 2HB PHE 24 -2.053 -2.795 4.534
158 HD1 PHE 24 2HD PHE 24 -5.510 -1.533 5.142
159 HD2 PHE 24 1HD PHE 24 -1.420 -1.503 6.320
160 HE1 PHE 24 2HE PHE 24 -6.077 -0.100 7.060
161 HE2 PHE 24 1HE PHE 24 -1.981 -0.071 8.241
162 HZ PHE 24 HZ PHE 24 -4.311 0.633 8.612
163 H CYS 25 H CYS 25 -3.501 0.600 2.296
164 HA CYS 25 HA CYS 25 -0.664 1.060 1.882
165 HB2 CYS 25 1HB CYS 25 -3.177 2.576 1.263
166 HB3 CYS 25 2HB CYS 25 -1.608 3.396 1.202
167 H GLY 26 H GLY 26 0.636 1.938 3.347
168 HA2 GLY 26 2HA GLY 26 -0.432 3.881 5.252
169 HA3 GLY 26 3HA GLY 26 0.289 2.423 5.918
170 H SER 27 H SER 27 1.806 3.838 6.978
171 HA SER 27 HA SER 27 4.028 4.562 5.195
172 HB2 SER 27 1HB SER 27 2.674 6.584 5.930
173 HB3 SER 27 2HB SER 27 3.228 6.240 7.577
174 HG SER 27 HG SER 27 4.511 7.575 5.698
175 H GLY 28 H GLY 28 5.928 5.311 6.902
176 HA2 GLY 28 2HA GLY 28 7.402 4.624 8.535
177 HA3 GLY 28 3HA GLY 28 6.093 3.699 9.256
178 H ASP 29 H ASP 29 8.768 2.813 9.082
179 HA ASP 29 HA ASP 29 9.243 1.106 6.895
180 HB2 ASP 29 1HB ASP 29 10.308 1.291 9.696
181 HB3 ASP 29 2HB ASP 29 10.732 -0.100 8.687
182 HD2 ASP 29 HD ASP 29 12.170 2.408 6.384
183 H ALA 30 H ALA 30 7.084 0.853 9.515
184 HA ALA 30 HA ALA 30 6.956 -1.919 9.901
185 HB1 ALA 30 1HB ALA 30 5.446 -1.317 11.409
186 HB2 ALA 30 2HB ALA 30 5.559 0.341 10.815
187 HB3 ALA 30 3HB ALA 30 4.352 -0.755 10.144
188 H TYR 31 H TYR 31 5.585 0.145 7.429
189 HA TYR 31 HA TYR 31 4.419 -2.241 6.151
190 HB2 TYR 31 1HB TYR 31 3.504 0.642 5.972
191 HB3 TYR 31 2HB TYR 31 2.815 -0.696 5.050
192 HD1 TYR 31 1HD TYR 31 2.221 -2.819 6.687
193 HD2 TYR 31 2HD TYR 31 2.218 1.294 7.780
194 HE1 TYR 31 1HE TYR 31 0.653 -3.312 8.516
195 HE2 TYR 31 2HE TYR 31 0.652 0.811 9.613
196 HH TYR 31 HH TYR 31 -0.811 -2.352 9.996
197 H CYS 32 H CYS 32 6.649 0.324 5.907
198 HA CYS 32 HA CYS 32 6.833 0.197 3.006
199 HB2 CYS 32 1HB CYS 32 8.120 1.861 5.144
200 HB3 CYS 32 2HB CYS 32 8.815 1.814 3.515
201 H GLY 33 H GLY 33 8.371 -1.123 5.809
202 HA2 GLY 33 2HA GLY 33 10.903 -1.741 4.796
203 HA3 GLY 33 3HA GLY 33 10.072 -2.642 6.055
204 H ALA 34 H ALA 34 11.738 -3.895 4.235
205 HA ALA 34 HA ALA 34 10.185 -5.028 2.093
206 HB1 ALA 34 1HB ALA 34 12.122 -6.101 1.418
207 HB2 ALA 34 2HB ALA 34 12.742 -4.640 2.189
208 HB3 ALA 34 3HB ALA 34 12.774 -6.176 3.056
209 H GLY 35 H GLY 35 8.604 -6.427 2.532
210 HA2 GLY 35 2HA GLY 35 8.849 -8.974 3.376
211 HA3 GLY 35 3HA GLY 35 8.701 -8.102 4.894
212 H SER 36 H SER 36 6.939 -6.092 3.471
213 HA SER 36 HA SER 36 4.537 -7.714 3.055
214 HB2 SER 36 1HB SER 36 4.673 -7.000 5.475
215 HB3 SER 36 2HB SER 36 4.556 -5.324 4.908
216 HG SER 36 HG SER 36 2.488 -5.600 4.795
217 H CYS 37 H CYS 37 6.499 -5.697 1.671
218 HA CYS 37 HA CYS 37 4.601 -3.698 0.738
219 HB2 CYS 37 1HB CYS 37 7.049 -3.241 1.273
220 HB3 CYS 37 2HB CYS 37 7.427 -4.086 -0.238
221 H GLN 38 H GLN 38 3.636 -3.679 -1.220
222 HA GLN 38 HA GLN 38 4.381 -5.771 -3.148
223 HB2 GLN 38 1HB GLN 38 2.417 -6.591 -2.036
224 HB3 GLN 38 2HB GLN 38 1.599 -5.032 -2.231
225 HG2 GLN 38 1HG GLN 38 2.379 -5.940 -4.811
226 HG3 GLN 38 2HG GLN 38 1.577 -7.270 -3.966
227 HE21 GLN 38 1HE2 GLN 38 -0.462 -6.552 -2.760
228 HE22 GLN 38 2HE2 GLN 38 -1.536 -5.530 -3.646
229 H SER 39 H SER 39 2.511 -2.781 -2.680
230 HA SER 39 HA SER 39 3.344 -1.955 -5.382
231 HB2 SER 39 1HB SER 39 1.062 -2.338 -5.700
232 HB3 SER 39 2HB SER 39 0.648 -1.775 -4.070
233 HG SER 39 HG SER 39 0.366 -0.363 -6.138
234 H GLN 40 H GLN 40 3.472 0.373 -5.701
235 HA GLN 40 HA GLN 40 4.389 2.381 -5.134
236 HB2 GLN 40 1HB GLN 40 2.515 2.008 -2.786
237 HB3 GLN 40 2HB GLN 40 3.306 3.533 -3.214
238 HG2 GLN 40 1HG GLN 40 1.318 2.016 -4.902
239 HG3 GLN 40 2HG GLN 40 1.022 3.512 -4.005
240 HE21 GLN 40 1HE2 GLN 40 0.609 3.182 -6.769
241 HE22 GLN 40 2HE2 GLN 40 1.691 4.239 -7.604
242 H CYS 41 H CYS 41 6.056 0.310 -4.502
243 HA CYS 41 HA CYS 41 6.975 0.527 -1.782
244 HB2 CYS 41 1HB CYS 41 8.011 -0.888 -4.232
245 HB3 CYS 41 2HB CYS 41 8.901 -0.888 -2.700
246 H ARG 42 H ARG 42 7.115 2.978 -2.159
247 HA ARG 42 HA ARG 42 9.880 3.667 -2.301
248 HB2 ARG 42 1HB ARG 42 9.109 3.544 -4.739
249 HB3 ARG 42 2HB ARG 42 8.150 4.988 -4.383
250 HG2 ARG 42 1HG ARG 42 9.975 6.350 -4.205
251 HG3 ARG 42 2HG ARG 42 11.039 5.028 -3.700
252 HD2 ARG 42 1HD ARG 42 11.696 5.675 -5.909
253 HD3 ARG 42 2HD ARG 42 10.883 4.107 -6.016
254 HE ARG 42 HE ARG 42 9.103 6.312 -6.438
255 HH11 ARG 42 1HH1 ARG 42 11.446 4.227 -7.949
256 HH12 ARG 42 2HH1 ARG 42 10.799 4.439 -9.542
257 HH21 ARG 42 1HH2 ARG 42 8.243 6.599 -8.531
258 HH22 ARG 42 2HH2 ARG 42 8.978 5.789 -9.872
259 H GLY 43 H GLY 43 7.460 3.884 -0.576
260 HA2 GLY 43 2HA GLY 43 6.694 6.627 -0.457
261 HA3 GLY 43 3HA GLY 43 6.409 5.415 0.784
262 H CYS 44 H CYS 44 6.912 7.705 1.845
263 HA CYS 44 HA CYS 44 9.784 8.036 2.257
264 HB2 CYS 44 1HB CYS 44 7.559 9.674 3.467
265 HB3 CYS 44 2HB CYS 44 9.263 10.126 3.292
Start of MODEL 5
1 H1 ALA 1 H ALA 1 -5.867 5.977 8.032
2 HA ALA 1 HA ALA 1 -3.831 4.883 6.240
3 HB1 ALA 1 1HB ALA 1 -4.127 3.562 8.175
4 HB2 ALA 1 2HB ALA 1 -5.884 3.594 8.020
5 HB3 ALA 1 3HB ALA 1 -4.913 2.685 6.862
6 H GLN 2 H GLN 2 -4.351 3.747 4.346
7 HA GLN 2 HA GLN 2 -7.100 4.013 3.363
8 HB2 GLN 2 1HB GLN 2 -6.116 4.648 1.105
9 HB3 GLN 2 2HB GLN 2 -6.081 5.894 2.363
10 HG2 GLN 2 1HG GLN 2 -3.671 4.318 2.450
11 HG3 GLN 2 2HG GLN 2 -3.943 4.966 0.826
12 HE21 GLN 2 1HE2 GLN 2 -3.578 5.814 4.206
13 HE22 GLN 2 2HE2 GLN 2 -3.092 7.450 3.940
14 H ARG 3 H ARG 3 -7.738 2.462 1.853
15 HA ARG 3 HA ARG 3 -6.038 0.081 1.809
16 HB2 ARG 3 1HB ARG 3 -8.954 0.409 1.059
17 HB3 ARG 3 2HB ARG 3 -8.071 -1.121 1.149
18 HG2 ARG 3 1HG ARG 3 -7.641 -0.044 3.641
19 HG3 ARG 3 2HG ARG 3 -9.301 0.448 3.268
20 HD2 ARG 3 1HD ARG 3 -8.213 -2.374 3.161
21 HD3 ARG 3 2HD ARG 3 -9.268 -1.704 4.413
22 HE ARG 3 HE ARG 3 -10.374 -1.503 1.771
23 HH11 ARG 3 1HH1 ARG 3 -9.980 -3.559 4.553
24 HH12 ARG 3 2HH1 ARG 3 -11.382 -4.516 4.207
25 HH21 ARG 3 1HH2 ARG 3 -12.223 -2.756 1.306
26 HH22 ARG 3 2HH2 ARG 3 -12.657 -4.059 2.359
27 H CYS 4 H CYS 4 -5.437 -0.960 -0.071
28 HA CYS 4 HA CYS 4 -6.172 0.264 -2.625
29 HB2 CYS 4 1HB CYS 4 -3.726 0.073 -3.312
30 HB3 CYS 4 2HB CYS 4 -4.148 1.408 -2.228
31 H GLY 5 H GLY 5 -4.714 -1.128 -4.372
32 HA2 GLY 5 2HA GLY 5 -4.532 -3.155 -5.434
33 HA3 GLY 5 3HA GLY 5 -4.330 -3.865 -3.838
34 H ASP 6 H ASP 6 -5.545 -5.689 -4.358
35 HA ASP 6 HA ASP 6 -8.083 -5.695 -5.525
36 HB2 ASP 6 1HB ASP 6 -6.554 -7.681 -5.113
37 HB3 ASP 6 2HB ASP 6 -7.147 -7.673 -3.446
38 HD2 ASP 6 HD ASP 6 -10.152 -9.100 -4.336
39 H GLN 7 H GLN 7 -7.081 -4.771 -2.375
40 HA GLN 7 HA GLN 7 -9.651 -5.141 -1.126
41 HB2 GLN 7 1HB GLN 7 -7.148 -3.694 -0.233
42 HB3 GLN 7 2HB GLN 7 -8.601 -3.873 0.762
43 HG2 GLN 7 1HG GLN 7 -7.124 -6.238 -0.367
44 HG3 GLN 7 2HG GLN 7 -6.713 -5.503 1.189
45 HE21 GLN 7 1HE2 GLN 7 -7.638 -6.366 2.894
46 HE22 GLN 7 2HE2 GLN 7 -9.125 -7.245 2.915
47 H ALA 8 H ALA 8 -8.604 -3.033 -3.389
48 HA ALA 8 HA ALA 8 -10.607 -1.046 -2.605
49 HB1 ALA 8 1HB ALA 8 -9.182 0.813 -3.093
50 HB2 ALA 8 2HB ALA 8 -8.356 -0.220 -1.926
51 HB3 ALA 8 3HB ALA 8 -7.885 -0.257 -3.625
52 H ARG 9 H ARG 9 -10.712 -3.179 -4.518
53 HA ARG 9 HA ARG 9 -11.355 -3.593 -6.660
54 HB2 ARG 9 1HB ARG 9 -12.901 -1.664 -5.982
55 HB3 ARG 9 2HB ARG 9 -11.836 -0.635 -6.954
56 HG2 ARG 9 1HG ARG 9 -13.131 -1.129 -8.689
57 HG3 ARG 9 2HG ARG 9 -12.403 -2.743 -8.640
58 HD2 ARG 9 1HD ARG 9 -14.504 -3.492 -8.383
59 HD3 ARG 9 2HD ARG 9 -14.326 -2.939 -6.711
60 HE ARG 9 HE ARG 9 -15.185 -0.730 -8.069
61 HH11 ARG 9 1HH1 ARG 9 -16.360 -3.979 -7.646
62 HH12 ARG 9 2HH1 ARG 9 -18.027 -3.535 -7.797
63 HH21 ARG 9 1HH2 ARG 9 -17.377 -0.132 -8.270
64 HH22 ARG 9 2HH2 ARG 9 -18.605 -1.346 -8.153
65 H GLY 10 H GLY 10 -8.559 -2.913 -6.104
66 HA2 GLY 10 2HA GLY 10 -6.673 -2.906 -7.455
67 HA3 GLY 10 3HA GLY 10 -7.708 -2.604 -8.844
68 H ALA 11 H ALA 11 -7.904 -0.575 -6.029
69 HA ALA 11 HA ALA 11 -7.230 1.740 -7.592
70 HB1 ALA 11 1HB ALA 11 -7.799 3.017 -5.638
71 HB2 ALA 11 2HB ALA 11 -9.002 1.744 -5.856
72 HB3 ALA 11 3HB ALA 11 -7.748 1.571 -4.628
73 H LYS 12 H LYS 12 -5.423 2.998 -7.490
74 HA LYS 12 HA LYS 12 -3.117 1.825 -6.115
75 HB2 LYS 12 1HB LYS 12 -3.304 3.861 -8.346
76 HB3 LYS 12 2HB LYS 12 -1.787 3.334 -7.602
77 HG2 LYS 12 1HG LYS 12 -3.158 0.987 -8.346
78 HG3 LYS 12 2HG LYS 12 -3.279 2.113 -9.710
79 HD2 LYS 12 1HD LYS 12 -0.775 2.486 -9.454
80 HD3 LYS 12 2HD LYS 12 -0.787 1.086 -8.369
81 HE2 LYS 12 1HE LYS 12 -0.184 0.327 -10.572
82 HE3 LYS 12 2HE LYS 12 -1.812 -0.257 -10.192
83 HZ1 LYS 12 3HZ LYS 12 -1.777 2.301 -11.516
84 HZ2 LYS 12 1HZ LYS 12 -2.701 0.923 -11.848
85 HZ3 LYS 12 2HZ LYS 12 -1.125 1.049 -12.448
86 H CYS 13 H CYS 13 -1.582 3.239 -5.043
87 HA CYS 13 HA CYS 13 -2.940 5.485 -3.722
88 HB2 CYS 13 1HB CYS 13 -0.782 3.585 -2.871
89 HB3 CYS 13 2HB CYS 13 -0.953 5.152 -2.063
90 HA PRO 14 HA PRO 14 -0.186 8.468 -5.382
91 HB2 PRO 14 1HB PRO 14 0.157 10.174 -3.267
92 HB3 PRO 14 2HB PRO 14 -1.342 10.052 -4.185
93 HG2 PRO 14 1HG PRO 14 -0.598 8.762 -1.582
94 HG3 PRO 14 2HG PRO 14 -2.126 9.601 -2.043
95 HD2 PRO 14 1HD PRO 14 -1.899 6.897 -1.987
96 HD3 PRO 14 2HD PRO 14 -2.924 7.747 -3.156
97 H ASN 15 H ASN 15 1.879 9.817 -4.609
98 HA ASN 15 HA ASN 15 3.911 7.839 -4.114
99 HB2 ASN 15 1HB ASN 15 4.270 10.834 -4.368
100 HB3 ASN 15 2HB ASN 15 5.490 9.579 -4.620
101 HD21 ASN 15 1HD2 ASN 15 3.749 11.714 -6.231
102 HD22 ASN 15 2HD2 ASN 15 3.510 10.886 -7.729
103 H CYS 16 H CYS 16 5.764 8.498 -2.587
104 HA CYS 16 HA CYS 16 6.523 8.838 -0.469
105 HB2 CYS 16 1HB CYS 16 5.511 11.138 -0.969
106 HB3 CYS 16 2HB CYS 16 4.145 10.618 0.031
107 H LEU 17 H LEU 17 4.097 7.018 -1.227
108 HA LEU 17 HA LEU 17 3.554 6.214 1.547
109 HB2 LEU 17 1HB LEU 17 1.643 7.473 0.360
110 HB3 LEU 17 2HB LEU 17 1.470 5.992 -0.598
111 HG LEU 17 HG LEU 17 1.140 4.757 1.578
112 HD11 LEU 17 1HD1 LEU 17 2.090 6.341 3.112
113 HD12 LEU 17 2HD1 LEU 17 0.378 6.144 3.485
114 HD13 LEU 17 3HD1 LEU 17 0.932 7.577 2.619
115 HD21 LEU 17 3HD2 LEU 17 -1.187 5.329 1.719
116 HD22 LEU 17 1HD2 LEU 17 -0.687 5.419 0.030
117 HD23 LEU 17 2HD2 LEU 17 -0.894 6.898 0.970
118 H CYS 18 H CYS 18 2.900 3.951 1.762
119 HA CYS 18 HA CYS 18 3.953 2.280 -0.424
120 HB2 CYS 18 1HB CYS 18 4.137 1.759 2.549
121 HB3 CYS 18 2HB CYS 18 4.773 0.709 1.271
122 H CYS 19 H CYS 19 2.743 0.589 -1.082
123 HA CYS 19 HA CYS 19 0.131 0.250 0.211
124 HB2 CYS 19 1HB CYS 19 0.183 0.854 -2.188
125 HB3 CYS 19 2HB CYS 19 1.032 -0.663 -2.529
126 H GLY 20 H GLY 20 0.100 -1.338 1.667
127 HA2 GLY 20 2HA GLY 20 1.935 -3.496 1.714
128 HA3 GLY 20 3HA GLY 20 0.475 -3.365 2.682
129 H LYS 21 H LYS 21 1.822 -5.555 1.003
130 HA LYS 21 HA LYS 21 0.423 -6.283 -1.219
131 HB2 LYS 21 1HB LYS 21 2.321 -7.535 -0.150
132 HB3 LYS 21 2HB LYS 21 1.148 -8.208 0.994
133 HG2 LYS 21 1HG LYS 21 0.168 -8.605 -1.660
134 HG3 LYS 21 2HG LYS 21 1.846 -9.170 -1.563
135 HD2 LYS 21 1HD LYS 21 1.220 -10.451 0.501
136 HD3 LYS 21 2HD LYS 21 -0.466 -10.010 0.181
137 HE2 LYS 21 1HE LYS 21 -0.546 -11.257 -1.814
138 HE3 LYS 21 2HE LYS 21 1.217 -11.367 -1.900
139 HZ1 LYS 21 3HZ LYS 21 -0.524 -13.209 -0.792
140 HZ2 LYS 21 1HZ LYS 21 0.297 -12.514 0.514
141 HZ3 LYS 21 2HZ LYS 21 1.167 -13.238 -0.742
142 H TYR 22 H TYR 22 -0.686 -6.330 2.091
143 HA TYR 22 HA TYR 22 -3.078 -7.833 1.477
144 HB2 TYR 22 1HB TYR 22 -2.288 -6.322 3.982
145 HB3 TYR 22 2HB TYR 22 -3.673 -7.407 3.833
146 HD1 TYR 22 1HD TYR 22 -2.593 -9.686 2.368
147 HD2 TYR 22 2HD TYR 22 -0.819 -7.369 5.464
148 HE1 TYR 22 1HE TYR 22 -1.191 -11.608 2.994
149 HE2 TYR 22 2HE TYR 22 0.589 -9.283 6.098
150 HH TYR 22 HH TYR 22 0.310 -12.403 4.426
151 H GLY 23 H GLY 23 -2.774 -5.506 -0.106
152 HA2 GLY 23 2HA GLY 23 -3.877 -3.592 -0.759
153 HA3 GLY 23 3HA GLY 23 -5.291 -4.435 -0.143
154 H PHE 24 H PHE 24 -2.491 -3.150 1.615
155 HA PHE 24 HA PHE 24 -4.288 -1.235 2.939
156 HB2 PHE 24 1HB PHE 24 -3.764 -3.345 4.303
157 HB3 PHE 24 2HB PHE 24 -2.118 -2.716 4.418
158 HD1 PHE 24 2HD PHE 24 -5.643 -1.721 5.079
159 HD2 PHE 24 1HD PHE 24 -1.541 -1.273 6.125
160 HE1 PHE 24 2HE PHE 24 -6.289 -0.329 7.002
161 HE2 PHE 24 1HE PHE 24 -2.181 0.120 8.051
162 HZ PHE 24 HZ PHE 24 -4.557 0.594 8.490
163 H CYS 25 H CYS 25 -3.573 0.665 2.188
164 HA CYS 25 HA CYS 25 -0.735 1.130 1.784
165 HB2 CYS 25 1HB CYS 25 -3.249 2.648 1.172
166 HB3 CYS 25 2HB CYS 25 -1.680 3.471 1.120
167 H GLY 26 H GLY 26 0.560 1.998 3.260
168 HA2 GLY 26 2HA GLY 26 -0.514 3.925 5.177
169 HA3 GLY 26 3HA GLY 26 0.208 2.464 5.834
170 H SER 27 H SER 27 1.725 3.864 6.908
171 HA SER 27 HA SER 27 3.949 4.604 5.136
172 HB2 SER 27 1HB SER 27 2.591 6.622 5.883
173 HB3 SER 27 2HB SER 27 3.143 6.265 7.529
174 HG SER 27 HG SER 27 4.660 7.069 5.293
175 H GLY 28 H GLY 28 5.844 5.341 6.851
176 HA2 GLY 28 2HA GLY 28 7.312 4.646 8.488
177 HA3 GLY 28 3HA GLY 28 6.004 3.709 9.193
178 H ASP 29 H ASP 29 8.682 2.835 9.021
179 HA ASP 29 HA ASP 29 9.169 1.149 6.819
180 HB2 ASP 29 1HB ASP 29 10.369 1.687 9.416
181 HB3 ASP 29 2HB ASP 29 10.457 -0.029 8.995
182 HD2 ASP 29 HD ASP 29 12.496 2.532 6.754
183 H ALA 30 H ALA 30 7.009 0.866 9.435
184 HA ALA 30 HA ALA 30 6.892 -1.912 9.795
185 HB1 ALA 30 1HB ALA 30 4.294 -0.657 10.020
186 HB2 ALA 30 2HB ALA 30 5.306 -1.391 11.266
187 HB3 ALA 30 3HB ALA 30 5.552 0.294 10.809
188 H TYR 31 H TYR 31 5.517 0.172 7.342
189 HA TYR 31 HA TYR 31 4.352 -2.204 6.044
190 HB2 TYR 31 1HB TYR 31 3.435 0.680 5.892
191 HB3 TYR 31 2HB TYR 31 2.749 -0.647 4.954
192 HD1 TYR 31 1HD TYR 31 2.045 -2.760 6.478
193 HD2 TYR 31 2HD TYR 31 2.255 1.281 7.792
194 HE1 TYR 31 1HE TYR 31 0.473 -3.277 8.297
195 HE2 TYR 31 2HE TYR 31 0.684 0.776 9.616
196 HH TYR 31 HH TYR 31 -0.930 -2.327 9.844
197 H CYS 32 H CYS 32 6.580 0.364 5.821
198 HA CYS 32 HA CYS 32 6.765 0.260 2.919
199 HB2 CYS 32 1HB CYS 32 8.050 1.909 5.071
200 HB3 CYS 32 2HB CYS 32 8.747 1.874 3.442
201 H GLY 33 H GLY 33 8.304 -1.080 5.713
202 HA2 GLY 33 2HA GLY 33 10.837 -1.687 4.695
203 HA3 GLY 33 3HA GLY 33 10.007 -2.599 5.948
204 H ALA 34 H ALA 34 11.673 -3.840 4.124
205 HA ALA 34 HA ALA 34 10.123 -4.958 1.971
206 HB1 ALA 34 1HB ALA 34 12.091 -5.629 1.162
207 HB2 ALA 34 2HB ALA 34 12.815 -4.679 2.459
208 HB3 ALA 34 3HB ALA 34 12.545 -6.408 2.678
209 H GLY 35 H GLY 35 8.548 -6.368 2.384
210 HA2 GLY 35 2HA GLY 35 8.785 -8.917 3.216
211 HA3 GLY 35 3HA GLY 35 8.634 -8.054 4.740
212 H SER 36 H SER 36 6.876 -6.034 3.331
213 HA SER 36 HA SER 36 4.475 -7.652 2.892
214 HB2 SER 36 1HB SER 36 4.602 -6.962 5.319
215 HB3 SER 36 2HB SER 36 4.491 -5.281 4.771
216 HG SER 36 HG SER 36 2.467 -5.707 3.922
217 H CYS 37 H CYS 37 6.440 -5.623 1.532
218 HA CYS 37 HA CYS 37 4.547 -3.613 0.615
219 HB2 CYS 37 1HB CYS 37 6.995 -3.165 1.159
220 HB3 CYS 37 2HB CYS 37 7.375 -3.995 -0.358
221 H GLN 38 H GLN 38 3.579 -3.578 -1.340
222 HA GLN 38 HA GLN 38 4.324 -5.655 -3.285
223 HB2 GLN 38 1HB GLN 38 2.349 -6.468 -2.181
224 HB3 GLN 38 2HB GLN 38 1.543 -4.903 -2.381
225 HG2 GLN 38 1HG GLN 38 2.328 -5.800 -4.957
226 HG3 GLN 38 2HG GLN 38 1.533 -7.142 -4.123
227 HE21 GLN 38 1HE2 GLN 38 -0.516 -6.445 -2.918
228 HE22 GLN 38 2HE2 GLN 38 -1.592 -5.423 -3.801
229 H SER 39 H SER 39 2.455 -2.666 -2.809
230 HA SER 39 HA SER 39 3.309 -1.821 -5.498
231 HB2 SER 39 1HB SER 39 1.027 -2.191 -5.829
232 HB3 SER 39 2HB SER 39 0.608 -1.639 -4.197
233 HG SER 39 HG SER 39 1.364 -0.075 -6.429
234 H GLN 40 H GLN 40 3.476 0.500 -5.799
235 HA GLN 40 HA GLN 40 4.395 2.500 -5.212
236 HB2 GLN 40 1HB GLN 40 2.304 2.038 -3.106
237 HB3 GLN 40 2HB GLN 40 3.329 3.480 -3.048
238 HG2 GLN 40 1HG GLN 40 1.640 4.363 -4.251
239 HG3 GLN 40 2HG GLN 40 2.547 3.644 -5.588
240 HE21 GLN 40 1HE2 GLN 40 1.007 3.067 -6.979
241 HE22 GLN 40 2HE2 GLN 40 -0.319 2.019 -6.618
242 H CYS 41 H CYS 41 6.068 0.452 -4.598
243 HA CYS 41 HA CYS 41 6.951 0.629 -1.860
244 HB2 CYS 41 1HB CYS 41 8.007 -0.769 -4.311
245 HB3 CYS 41 2HB CYS 41 8.880 -0.785 -2.769
246 H ARG 42 H ARG 42 7.095 3.089 -2.237
247 HA ARG 42 HA ARG 42 9.865 3.770 -2.332
248 HB2 ARG 42 1HB ARG 42 9.138 3.652 -4.783
249 HB3 ARG 42 2HB ARG 42 8.170 5.094 -4.441
250 HG2 ARG 42 1HG ARG 42 9.936 6.448 -4.533
251 HG3 ARG 42 2HG ARG 42 10.921 5.357 -3.543
252 HD2 ARG 42 1HD ARG 42 11.948 4.476 -5.329
253 HD3 ARG 42 2HD ARG 42 10.419 4.290 -6.198
254 HE ARG 42 HE ARG 42 11.064 6.997 -6.226
255 HH11 ARG 42 1HH1 ARG 42 12.323 3.994 -7.457
256 HH12 ARG 42 2HH1 ARG 42 13.064 4.723 -8.843
257 HH21 ARG 42 1HH2 ARG 42 12.035 7.968 -8.047
258 HH22 ARG 42 2HH2 ARG 42 12.901 6.982 -9.178
259 H GLY 43 H GLY 43 7.417 3.991 -0.647
260 HA2 GLY 43 2HA GLY 43 6.658 6.738 -0.537
261 HA3 GLY 43 3HA GLY 43 6.346 5.525 0.696
262 H CYS 44 H CYS 44 6.826 7.764 1.818
263 HA CYS 44 HA CYS 44 9.695 8.103 2.265
264 HB2 CYS 44 1HB CYS 44 7.457 9.736 3.456
265 HB3 CYS 44 2HB CYS 44 9.164 10.187 3.299
Start of MODEL 6
1 H1 ALA 1 H ALA 1 -4.804 6.958 6.554
2 HA ALA 1 HA ALA 1 -3.768 4.523 6.395
3 HB1 ALA 1 1HB ALA 1 -5.985 3.270 7.455
4 HB2 ALA 1 2HB ALA 1 -4.386 3.357 8.194
5 HB3 ALA 1 3HB ALA 1 -5.625 4.534 8.632
6 H GLN 2 H GLN 2 -4.304 3.804 4.439
7 HA GLN 2 HA GLN 2 -7.060 4.139 3.494
8 HB2 GLN 2 1HB GLN 2 -6.070 4.770 1.226
9 HB3 GLN 2 2HB GLN 2 -6.036 6.007 2.492
10 HG2 GLN 2 1HG GLN 2 -3.639 4.336 2.444
11 HG3 GLN 2 2HG GLN 2 -3.913 5.242 0.949
12 HE21 GLN 2 1HE2 GLN 2 -4.102 7.538 1.073
13 HE22 GLN 2 2HE2 GLN 2 -3.345 8.406 2.362
14 H ARG 3 H ARG 3 -7.748 2.622 1.974
15 HA ARG 3 HA ARG 3 -6.099 0.206 1.879
16 HB2 ARG 3 1HB ARG 3 -9.016 0.607 1.173
17 HB3 ARG 3 2HB ARG 3 -8.164 -0.944 1.228
18 HG2 ARG 3 1HG ARG 3 -7.909 -0.843 3.582
19 HG3 ARG 3 2HG ARG 3 -8.431 0.850 3.623
20 HD2 ARG 3 1HD ARG 3 -10.423 -0.059 4.203
21 HD3 ARG 3 2HD ARG 3 -10.582 -0.259 2.453
22 HE ARG 3 HE ARG 3 -9.328 -2.538 3.288
23 HH11 ARG 3 1HH1 ARG 3 -12.293 -0.908 4.105
24 HH12 ARG 3 2HH1 ARG 3 -13.133 -2.365 4.521
25 HH21 ARG 3 1HH2 ARG 3 -10.422 -4.464 3.832
26 HH22 ARG 3 2HH2 ARG 3 -12.067 -4.388 4.366
27 H CYS 4 H CYS 4 -5.542 -0.821 -0.021
28 HA CYS 4 HA CYS 4 -6.282 0.449 -2.551
29 HB2 CYS 4 1HB CYS 4 -3.850 0.216 -3.269
30 HB3 CYS 4 2HB CYS 4 -4.232 1.548 -2.165
31 H GLY 5 H GLY 5 -4.877 -0.949 -4.333
32 HA2 GLY 5 2HA GLY 5 -4.745 -2.967 -5.421
33 HA3 GLY 5 3HA GLY 5 -4.542 -3.700 -3.838
34 H ASP 6 H ASP 6 -5.801 -5.493 -4.364
35 HA ASP 6 HA ASP 6 -8.350 -5.432 -5.504
36 HB2 ASP 6 1HB ASP 6 -6.718 -7.423 -4.918
37 HB3 ASP 6 2HB ASP 6 -7.686 -7.489 -3.438
38 HD2 ASP 6 HD ASP 6 -10.539 -8.016 -5.744
39 H GLN 7 H GLN 7 -7.296 -4.566 -2.356
40 HA GLN 7 HA GLN 7 -9.860 -4.898 -1.083
41 HB2 GLN 7 1HB GLN 7 -7.322 -3.510 -0.196
42 HB3 GLN 7 2HB GLN 7 -8.767 -3.683 0.811
43 HG2 GLN 7 1HG GLN 7 -7.040 -5.909 -0.268
44 HG3 GLN 7 2HG GLN 7 -7.160 -5.365 1.411
45 HE21 GLN 7 1HE2 GLN 7 -8.292 -7.533 -0.860
46 HE22 GLN 7 2HE2 GLN 7 -9.670 -8.122 -0.001
47 H ALA 8 H ALA 8 -8.792 -2.785 -3.332
48 HA ALA 8 HA ALA 8 -10.744 -0.764 -2.500
49 HB1 ALA 8 1HB ALA 8 -7.986 -0.063 -3.497
50 HB2 ALA 8 2HB ALA 8 -9.265 1.066 -3.048
51 HB3 ALA 8 3HB ALA 8 -8.516 0.045 -1.819
52 H ARG 9 H ARG 9 -10.914 -2.873 -4.439
53 HA ARG 9 HA ARG 9 -11.591 -3.246 -6.578
54 HB2 ARG 9 1HB ARG 9 -13.087 -1.292 -5.860
55 HB3 ARG 9 2HB ARG 9 -12.011 -0.275 -6.830
56 HG2 ARG 9 1HG ARG 9 -13.474 -0.702 -8.475
57 HG3 ARG 9 2HG ARG 9 -12.578 -2.224 -8.611
58 HD2 ARG 9 1HD ARG 9 -14.776 -2.142 -6.614
59 HD3 ARG 9 2HD ARG 9 -15.235 -2.120 -8.323
60 HE ARG 9 HE ARG 9 -13.337 -4.163 -7.847
61 HH11 ARG 9 1HH1 ARG 9 -16.683 -3.354 -7.325
62 HH12 ARG 9 2HH1 ARG 9 -17.213 -5.004 -7.299
63 HH21 ARG 9 1HH2 ARG 9 -14.022 -6.338 -7.813
64 HH22 ARG 9 2HH2 ARG 9 -15.698 -6.701 -7.575
65 H GLY 10 H GLY 10 -8.776 -2.635 -6.046
66 HA2 GLY 10 2HA GLY 10 -6.905 -2.652 -7.418
67 HA3 GLY 10 3HA GLY 10 -7.947 -2.310 -8.790
68 H ALA 11 H ALA 11 -8.071 -0.312 -5.951
69 HA ALA 11 HA ALA 11 -7.359 2.006 -7.494
70 HB1 ALA 11 1HB ALA 11 -7.885 3.273 -5.521
71 HB2 ALA 11 2HB ALA 11 -9.117 2.029 -5.744
72 HB3 ALA 11 3HB ALA 11 -7.857 1.815 -4.528
73 H LYS 12 H LYS 12 -5.518 3.209 -7.407
74 HA LYS 12 HA LYS 12 -3.231 1.974 -6.055
75 HB2 LYS 12 1HB LYS 12 -3.435 3.982 -8.304
76 HB3 LYS 12 2HB LYS 12 -1.901 3.543 -7.535
77 HG2 LYS 12 1HG LYS 12 -2.718 1.090 -8.122
78 HG3 LYS 12 2HG LYS 12 -3.624 1.970 -9.367
79 HD2 LYS 12 1HD LYS 12 -1.172 3.136 -9.593
80 HD3 LYS 12 2HD LYS 12 -0.734 1.484 -9.124
81 HE2 LYS 12 1HE LYS 12 -2.590 2.193 -11.409
82 HE3 LYS 12 2HE LYS 12 -0.871 1.807 -11.578
83 HZ1 LYS 12 3HZ LYS 12 -1.705 -0.248 -11.911
84 HZ2 LYS 12 1HZ LYS 12 -3.121 0.043 -11.032
85 HZ3 LYS 12 2HZ LYS 12 -1.679 -0.315 -10.222
86 H CYS 13 H CYS 13 -1.651 3.346 -4.990
87 HA CYS 13 HA CYS 13 -2.950 5.607 -3.630
88 HB2 CYS 13 1HB CYS 13 -0.822 3.653 -2.822
89 HB3 CYS 13 2HB CYS 13 -0.951 5.216 -1.999
90 HA PRO 14 HA PRO 14 -0.153 8.550 -5.292
91 HB2 PRO 14 1HB PRO 14 0.249 10.226 -3.162
92 HB3 PRO 14 2HB PRO 14 -1.262 10.145 -4.065
93 HG2 PRO 14 1HG PRO 14 -0.516 8.812 -1.483
94 HG3 PRO 14 2HG PRO 14 -2.031 9.687 -1.919
95 HD2 PRO 14 1HD PRO 14 -1.859 6.978 -1.893
96 HD3 PRO 14 2HD PRO 14 -2.879 7.861 -3.041
97 H ASN 15 H ASN 15 1.946 9.849 -4.527
98 HA ASN 15 HA ASN 15 3.943 7.826 -4.077
99 HB2 ASN 15 1HB ASN 15 4.072 10.798 -4.607
100 HB3 ASN 15 2HB ASN 15 5.515 9.831 -4.283
101 HD21 ASN 15 1HD2 ASN 15 5.764 7.865 -5.674
102 HD22 ASN 15 2HD2 ASN 15 5.365 8.032 -7.347
103 H CYS 16 H CYS 16 5.826 8.425 -2.563
104 HA CYS 16 HA CYS 16 6.615 8.725 -0.451
105 HB2 CYS 16 1HB CYS 16 5.648 11.049 -0.912
106 HB3 CYS 16 2HB CYS 16 4.281 10.548 0.097
107 H LEU 17 H LEU 17 4.142 6.967 -1.202
108 HA LEU 17 HA LEU 17 3.614 6.141 1.568
109 HB2 LEU 17 1HB LEU 17 1.715 7.452 0.418
110 HB3 LEU 17 2HB LEU 17 1.503 5.987 -0.556
111 HG LEU 17 HG LEU 17 1.168 4.732 1.608
112 HD11 LEU 17 1HD1 LEU 17 2.228 6.531 3.007
113 HD12 LEU 17 2HD1 LEU 17 0.684 5.921 3.601
114 HD13 LEU 17 3HD1 LEU 17 0.758 7.476 2.773
115 HD21 LEU 17 3HD2 LEU 17 -0.805 6.928 0.991
116 HD22 LEU 17 1HD2 LEU 17 -1.149 5.410 1.819
117 HD23 LEU 17 2HD2 LEU 17 -0.675 5.400 0.120
118 H CYS 18 H CYS 18 2.915 3.890 1.764
119 HA CYS 18 HA CYS 18 3.907 2.221 -0.454
120 HB2 CYS 18 1HB CYS 18 4.117 1.662 2.511
121 HB3 CYS 18 2HB CYS 18 4.714 0.614 1.214
122 H CYS 19 H CYS 19 2.654 0.565 -1.116
123 HA CYS 19 HA CYS 19 0.050 0.264 0.206
124 HB2 CYS 19 1HB CYS 19 0.086 0.897 -2.188
125 HB3 CYS 19 2HB CYS 19 0.898 -0.636 -2.555
126 H GLY 20 H GLY 20 0.004 -1.340 1.642
127 HA2 GLY 20 2HA GLY 20 1.794 -3.537 1.643
128 HA3 GLY 20 3HA GLY 20 0.349 -3.385 2.631
129 H LYS 21 H LYS 21 1.630 -5.583 0.909
130 HA LYS 21 HA LYS 21 0.188 -6.255 -1.303
131 HB2 LYS 21 1HB LYS 21 2.072 -7.557 -0.264
132 HB3 LYS 21 2HB LYS 21 0.893 -8.227 0.875
133 HG2 LYS 21 1HG LYS 21 -0.038 -9.604 -0.659
134 HG3 LYS 21 2HG LYS 21 0.234 -8.470 -1.994
135 HD2 LYS 21 1HD LYS 21 1.754 -10.094 -2.547
136 HD3 LYS 21 2HD LYS 21 2.765 -9.049 -1.533
137 HE2 LYS 21 1HE LYS 21 1.994 -10.551 0.426
138 HE3 LYS 21 2HE LYS 21 1.496 -11.678 -0.844
139 HZ1 LYS 21 3HZ LYS 21 3.957 -11.578 0.233
140 HZ2 LYS 21 1HZ LYS 21 4.172 -10.650 -1.167
141 HZ3 LYS 21 2HZ LYS 21 3.601 -12.237 -1.284
142 H TYR 22 H TYR 22 -0.881 -6.318 2.019
143 HA TYR 22 HA TYR 22 -3.311 -7.764 1.418
144 HB2 TYR 22 1HB TYR 22 -2.627 -6.246 3.946
145 HB3 TYR 22 2HB TYR 22 -3.835 -7.520 3.755
146 HD1 TYR 22 2HD TYR 22 -2.792 -9.798 2.729
147 HD2 TYR 22 1HD TYR 22 -0.661 -6.886 4.985
148 HE1 TYR 22 2HE TYR 22 -1.136 -11.504 3.356
149 HE2 TYR 22 1HE TYR 22 1.002 -8.584 5.617
150 HH TYR 22 HH TYR 22 0.721 -11.485 5.722
151 H GLY 23 H GLY 23 -2.977 -5.426 -0.142
152 HA2 GLY 23 2HA GLY 23 -4.047 -3.481 -0.759
153 HA3 GLY 23 3HA GLY 23 -5.472 -4.301 -0.136
154 H PHE 24 H PHE 24 -2.625 -3.097 1.603
155 HA PHE 24 HA PHE 24 -4.365 -1.159 2.970
156 HB2 PHE 24 1HB PHE 24 -3.952 -3.230 4.349
157 HB3 PHE 24 2HB PHE 24 -2.240 -2.802 4.356
158 HD1 PHE 24 1HD PHE 24 -1.488 -0.687 5.433
159 HD2 PHE 24 2HD PHE 24 -5.466 -2.149 5.817
160 HE1 PHE 24 1HE PHE 24 -1.830 0.770 7.387
161 HE2 PHE 24 2HE PHE 24 -5.816 -0.694 7.770
162 HZ PHE 24 HZ PHE 24 -3.997 0.768 8.557
163 H CYS 25 H CYS 25 -3.618 0.734 2.234
164 HA CYS 25 HA CYS 25 -0.777 1.144 1.799
165 HB2 CYS 25 1HB CYS 25 -3.264 2.721 1.237
166 HB3 CYS 25 2HB CYS 25 -1.679 3.511 1.175
167 H GLY 26 H GLY 26 0.554 1.967 3.269
168 HA2 GLY 26 2HA GLY 26 -0.456 3.893 5.222
169 HA3 GLY 26 3HA GLY 26 0.243 2.408 5.852
170 H SER 27 H SER 27 1.802 3.765 6.923
171 HA SER 27 HA SER 27 4.020 4.481 5.133
172 HB2 SER 27 1HB SER 27 2.712 6.516 5.920
173 HB3 SER 27 2HB SER 27 3.277 6.129 7.554
174 HG SER 27 HG SER 27 4.599 7.363 5.553
175 H GLY 28 H GLY 28 5.950 5.159 6.835
176 HA2 GLY 28 2HA GLY 28 7.422 4.414 8.445
177 HA3 GLY 28 3HA GLY 28 6.104 3.495 9.155
178 H ASP 29 H ASP 29 8.761 2.570 8.941
179 HA ASP 29 HA ASP 29 9.188 0.902 6.713
180 HB2 ASP 29 1HB ASP 29 10.961 -0.091 7.959
181 HB3 ASP 29 2HB ASP 29 10.913 1.617 8.417
182 HD2 ASP 29 HD ASP 29 10.566 -1.002 11.230
183 H ALA 30 H ALA 30 7.052 0.629 9.350
184 HA ALA 30 HA ALA 30 6.886 -2.149 9.677
185 HB1 ALA 30 1HB ALA 30 5.224 0.175 10.354
186 HB2 ALA 30 2HB ALA 30 4.347 -1.346 10.185
187 HB3 ALA 30 3HB ALA 30 5.682 -1.220 11.331
188 H TYR 31 H TYR 31 5.524 -0.006 7.269
189 HA TYR 31 HA TYR 31 4.288 -2.339 5.958
190 HB2 TYR 31 1HB TYR 31 3.437 0.567 5.852
191 HB3 TYR 31 2HB TYR 31 2.709 -0.733 4.907
192 HD1 TYR 31 1HD TYR 31 2.024 -2.862 6.456
193 HD2 TYR 31 2HD TYR 31 2.247 1.190 7.734
194 HE1 TYR 31 1HE TYR 31 0.463 -3.361 8.290
195 HE2 TYR 31 2HE TYR 31 0.689 0.702 9.574
196 HH TYR 31 HH TYR 31 -1.063 -2.247 9.763
197 H CYS 32 H CYS 32 6.571 0.184 5.736
198 HA CYS 32 HA CYS 32 6.717 0.106 2.831
199 HB2 CYS 32 1HB CYS 32 8.064 1.704 4.983
200 HB3 CYS 32 2HB CYS 32 8.740 1.672 3.347
201 H GLY 33 H GLY 33 8.261 -1.296 5.591
202 HA2 GLY 33 2HA GLY 33 10.769 -1.946 4.536
203 HA3 GLY 33 3HA GLY 33 9.934 -2.854 5.789
204 H ALA 34 H ALA 34 11.552 -4.108 3.931
205 HA ALA 34 HA ALA 34 9.952 -5.169 1.786
206 HB1 ALA 34 1HB ALA 34 12.204 -5.051 1.234
207 HB2 ALA 34 2HB ALA 34 12.723 -5.691 2.793
208 HB3 ALA 34 3HB ALA 34 11.977 -6.760 1.605
209 H GLY 35 H GLY 35 8.352 -6.549 2.207
210 HA2 GLY 35 2HA GLY 35 8.549 -9.113 3.007
211 HA3 GLY 35 3HA GLY 35 8.432 -8.264 4.541
212 H SER 36 H SER 36 6.699 -6.193 3.176
213 HA SER 36 HA SER 36 4.261 -7.757 2.748
214 HB2 SER 36 1HB SER 36 4.267 -7.208 5.137
215 HB3 SER 36 2HB SER 36 4.499 -5.494 4.746
216 HG SER 36 HG SER 36 2.212 -6.992 4.715
217 H CYS 37 H CYS 37 6.251 -5.752 1.388
218 HA CYS 37 HA CYS 37 4.388 -3.693 0.516
219 HB2 CYS 37 1HB CYS 37 6.849 -3.297 1.036
220 HB3 CYS 37 2HB CYS 37 7.198 -4.123 -0.492
221 H GLN 38 H GLN 38 3.401 -3.616 -1.428
222 HA GLN 38 HA GLN 38 4.079 -5.685 -3.405
223 HB2 GLN 38 1HB GLN 38 2.101 -6.468 -2.288
224 HB3 GLN 38 2HB GLN 38 1.325 -4.885 -2.459
225 HG2 GLN 38 1HG GLN 38 2.063 -5.769 -5.056
226 HG3 GLN 38 2HG GLN 38 1.243 -7.100 -4.227
227 HE21 GLN 38 1HE2 GLN 38 -0.774 -6.366 -2.993
228 HE22 GLN 38 2HE2 GLN 38 -1.835 -5.307 -3.852
229 H SER 39 H SER 39 2.275 -2.664 -2.876
230 HA SER 39 HA SER 39 3.119 -1.807 -5.565
231 HB2 SER 39 1HB SER 39 0.826 -2.125 -5.872
232 HB3 SER 39 2HB SER 39 0.438 -1.582 -4.231
233 HG SER 39 HG SER 39 1.049 -0.055 -6.505
234 H GLN 40 H GLN 40 3.342 0.508 -5.843
235 HA GLN 40 HA GLN 40 4.310 2.482 -5.244
236 HB2 GLN 40 1HB GLN 40 2.230 2.046 -3.122
237 HB3 GLN 40 2HB GLN 40 3.289 3.464 -3.060
238 HG2 GLN 40 1HG GLN 40 1.609 4.398 -4.237
239 HG3 GLN 40 2HG GLN 40 2.483 3.666 -5.591
240 HE21 GLN 40 1HE2 GLN 40 0.897 3.158 -6.963
241 HE22 GLN 40 2HE2 GLN 40 -0.443 2.133 -6.595
242 H CYS 41 H CYS 41 5.946 0.396 -4.673
243 HA CYS 41 HA CYS 41 6.860 0.524 -1.941
244 HB2 CYS 41 1HB CYS 41 7.862 -0.872 -4.416
245 HB3 CYS 41 2HB CYS 41 8.744 -0.927 -2.880
246 H ARG 42 H ARG 42 7.054 2.985 -2.302
247 HA ARG 42 HA ARG 42 9.839 3.603 -2.416
248 HB2 ARG 42 1HB ARG 42 9.111 3.519 -4.858
249 HB3 ARG 42 2HB ARG 42 8.146 4.961 -4.507
250 HG2 ARG 42 1HG ARG 42 10.011 6.300 -4.153
251 HG3 ARG 42 2HG ARG 42 11.070 4.906 -3.887
252 HD2 ARG 42 1HD ARG 42 11.033 4.320 -6.208
253 HD3 ARG 42 2HD ARG 42 9.757 5.504 -6.529
254 HE ARG 42 HE ARG 42 11.805 7.001 -5.541
255 HH11 ARG 42 1HH1 ARG 42 11.481 4.718 -8.149
256 HH12 ARG 42 2HH1 ARG 42 12.693 5.471 -9.133
257 HH21 ARG 42 1HH2 ARG 42 13.402 8.001 -6.826
258 HH22 ARG 42 2HH2 ARG 42 13.785 7.337 -8.378
259 H GLY 43 H GLY 43 7.411 3.867 -0.707
260 HA2 GLY 43 2HA GLY 43 6.721 6.632 -0.571
261 HA3 GLY 43 3HA GLY 43 6.383 5.416 0.652
262 H CYS 44 H CYS 44 6.922 7.614 1.809
263 HA CYS 44 HA CYS 44 9.802 7.888 2.235
264 HB2 CYS 44 1HB CYS 44 7.612 9.549 3.471
265 HB3 CYS 44 2HB CYS 44 9.325 9.967 3.302
Start of MODEL 7
1 H1 ALA 1 H ALA 1 -3.939 6.360 7.451
2 HA ALA 1 HA ALA 1 -4.174 3.941 6.546
3 HB1 ALA 1 1HB ALA 1 -5.379 5.212 8.636
4 HB2 ALA 1 2HB ALA 1 -6.767 4.622 7.720
5 HB3 ALA 1 3HB ALA 1 -5.530 3.492 8.272
6 H GLN 2 H GLN 2 -4.434 3.648 4.358
7 HA GLN 2 HA GLN 2 -7.191 3.866 3.385
8 HB2 GLN 2 1HB GLN 2 -6.215 4.515 1.122
9 HB3 GLN 2 2HB GLN 2 -6.220 5.764 2.376
10 HG2 GLN 2 1HG GLN 2 -3.769 4.238 2.460
11 HG3 GLN 2 2HG GLN 2 -4.055 4.914 0.849
12 HE21 GLN 2 1HE2 GLN 2 -3.013 5.540 3.997
13 HE22 GLN 2 2HE2 GLN 2 -2.837 7.253 3.864
14 H ARG 3 H ARG 3 -7.806 2.307 1.875
15 HA ARG 3 HA ARG 3 -6.066 -0.044 1.823
16 HB2 ARG 3 1HB ARG 3 -8.989 0.236 1.086
17 HB3 ARG 3 2HB ARG 3 -8.080 -1.281 1.167
18 HG2 ARG 3 1HG ARG 3 -7.622 -0.379 3.652
19 HG3 ARG 3 2HG ARG 3 -9.196 0.371 3.338
20 HD2 ARG 3 1HD ARG 3 -10.174 -1.568 3.836
21 HD3 ARG 3 2HD ARG 3 -9.410 -2.259 2.399
22 HE ARG 3 HE ARG 3 -7.516 -2.322 4.428
23 HH11 ARG 3 1HH1 ARG 3 -10.641 -3.701 3.753
24 HH12 ARG 3 2HH1 ARG 3 -10.349 -5.139 4.675
25 HH21 ARG 3 1HH2 ARG 3 -7.121 -4.210 5.644
26 HH22 ARG 3 2HH2 ARG 3 -8.348 -5.427 5.751
27 H CYS 4 H CYS 4 -5.452 -1.071 -0.061
28 HA CYS 4 HA CYS 4 -6.217 0.142 -2.611
29 HB2 CYS 4 1HB CYS 4 -3.771 -0.007 -3.306
30 HB3 CYS 4 2HB CYS 4 -4.213 1.321 -2.219
31 H GLY 5 H GLY 5 -4.742 -1.222 -4.364
32 HA2 GLY 5 2HA GLY 5 -4.525 -3.245 -5.428
33 HA3 GLY 5 3HA GLY 5 -4.305 -3.952 -3.834
34 H ASP 6 H ASP 6 -5.489 -5.798 -4.359
35 HA ASP 6 HA ASP 6 -8.031 -5.844 -5.515
36 HB2 ASP 6 1HB ASP 6 -6.412 -7.791 -5.048
37 HB3 ASP 6 2HB ASP 6 -7.136 -7.829 -3.435
38 HD2 ASP 6 HD ASP 6 -9.083 -9.485 -6.365
39 H GLN 7 H GLN 7 -7.032 -4.917 -2.367
40 HA GLN 7 HA GLN 7 -9.590 -5.338 -1.107
41 HB2 GLN 7 1HB GLN 7 -7.118 -3.838 -0.217
42 HB3 GLN 7 2HB GLN 7 -8.560 -4.071 0.786
43 HG2 GLN 7 1HG GLN 7 -6.645 -6.169 -0.218
44 HG3 GLN 7 2HG GLN 7 -6.979 -5.697 1.454
45 HE21 GLN 7 1HE2 GLN 7 -9.187 -6.092 2.244
46 HE22 GLN 7 2HE2 GLN 7 -10.016 -7.502 1.689
47 H ALA 8 H ALA 8 -8.591 -3.202 -3.367
48 HA ALA 8 HA ALA 8 -10.628 -1.256 -2.565
49 HB1 ALA 8 1HB ALA 8 -9.233 0.631 -3.073
50 HB2 ALA 8 2HB ALA 8 -8.408 -0.378 -1.884
51 HB3 ALA 8 3HB ALA 8 -7.913 -0.425 -3.576
52 H ARG 9 H ARG 9 -10.700 -3.382 -4.488
53 HA ARG 9 HA ARG 9 -11.341 -3.799 -6.631
54 HB2 ARG 9 1HB ARG 9 -12.927 -1.910 -5.938
55 HB3 ARG 9 2HB ARG 9 -11.886 -0.850 -6.900
56 HG2 ARG 9 1HG ARG 9 -12.921 -1.439 -8.766
57 HG3 ARG 9 2HG ARG 9 -12.560 -3.146 -8.456
58 HD2 ARG 9 1HD ARG 9 -14.863 -3.200 -8.495
59 HD3 ARG 9 2HD ARG 9 -14.551 -2.961 -6.770
60 HE ARG 9 HE ARG 9 -15.614 -0.954 -6.922
61 HH11 ARG 9 1HH1 ARG 9 -14.498 -1.851 -10.095
62 HH12 ARG 9 2HH1 ARG 9 -15.240 -0.496 -10.881
63 HH21 ARG 9 1HH2 ARG 9 -16.595 0.834 -7.945
64 HH22 ARG 9 2HH2 ARG 9 -16.431 1.030 -9.657
65 H GLY 10 H GLY 10 -8.558 -3.063 -6.081
66 HA2 GLY 10 2HA GLY 10 -6.677 -3.007 -7.438
67 HA3 GLY 10 3HA GLY 10 -7.722 -2.721 -8.822
68 H ALA 11 H ALA 11 -7.944 -0.713 -5.993
69 HA ALA 11 HA ALA 11 -7.329 1.624 -7.549
70 HB1 ALA 11 1HB ALA 11 -9.094 1.582 -5.807
71 HB2 ALA 11 2HB ALA 11 -7.832 1.430 -4.583
72 HB3 ALA 11 3HB ALA 11 -7.918 2.879 -5.585
73 H LYS 12 H LYS 12 -5.534 2.887 -7.487
74 HA LYS 12 HA LYS 12 -3.204 1.768 -6.110
75 HB2 LYS 12 1HB LYS 12 -3.528 3.685 -8.415
76 HB3 LYS 12 2HB LYS 12 -1.974 3.459 -7.598
77 HG2 LYS 12 1HG LYS 12 -2.045 1.057 -8.143
78 HG3 LYS 12 2HG LYS 12 -3.563 1.329 -9.016
79 HD2 LYS 12 1HD LYS 12 -1.167 2.980 -9.719
80 HD3 LYS 12 2HD LYS 12 -1.271 1.307 -10.294
81 HE2 LYS 12 1HE LYS 12 -3.385 1.756 -11.393
82 HE3 LYS 12 2HE LYS 12 -3.408 3.393 -10.721
83 HZ1 LYS 12 3HZ LYS 12 -1.096 2.609 -12.336
84 HZ2 LYS 12 1HZ LYS 12 -1.837 4.121 -12.176
85 HZ3 LYS 12 2HZ LYS 12 -2.550 2.929 -13.138
86 H CYS 13 H CYS 13 -1.692 3.205 -5.042
87 HA CYS 13 HA CYS 13 -3.086 5.426 -3.709
88 HB2 CYS 13 1HB CYS 13 -0.891 3.561 -2.872
89 HB3 CYS 13 2HB CYS 13 -1.086 5.124 -2.060
90 HA PRO 14 HA PRO 14 -0.392 8.461 -5.374
91 HB2 PRO 14 1HB PRO 14 -0.070 10.166 -3.254
92 HB3 PRO 14 2HB PRO 14 -1.571 10.021 -4.169
93 HG2 PRO 14 1HG PRO 14 -0.795 8.739 -1.571
94 HG3 PRO 14 2HG PRO 14 -2.339 9.551 -2.025
95 HD2 PRO 14 1HD PRO 14 -2.064 6.851 -1.975
96 HD3 PRO 14 2HD PRO 14 -3.107 7.685 -3.138
97 H ASN 15 H ASN 15 1.651 9.843 -4.607
98 HA ASN 15 HA ASN 15 3.721 7.902 -4.124
99 HB2 ASN 15 1HB ASN 15 3.880 10.905 -4.510
100 HB3 ASN 15 2HB ASN 15 5.261 9.802 -4.484
101 HD21 ASN 15 1HD2 ASN 15 4.852 7.831 -6.029
102 HD22 ASN 15 2HD2 ASN 15 4.378 8.276 -7.629
103 H CYS 16 H CYS 16 5.568 8.589 -2.603
104 HA CYS 16 HA CYS 16 6.329 8.939 -0.488
105 HB2 CYS 16 1HB CYS 16 5.275 11.220 -0.978
106 HB3 CYS 16 2HB CYS 16 3.922 10.676 0.026
107 H LEU 17 H LEU 17 3.932 7.079 -1.240
108 HA LEU 17 HA LEU 17 3.416 6.259 1.534
109 HB2 LEU 17 1HB LEU 17 1.476 7.486 0.359
110 HB3 LEU 17 2HB LEU 17 1.328 6.003 -0.602
111 HG LEU 17 HG LEU 17 1.030 4.759 1.576
112 HD11 LEU 17 1HD1 LEU 17 0.294 6.086 3.503
113 HD12 LEU 17 2HD1 LEU 17 0.705 7.564 2.633
114 HD13 LEU 17 3HD1 LEU 17 1.972 6.419 3.074
115 HD21 LEU 17 3HD2 LEU 17 -1.025 6.860 0.898
116 HD22 LEU 17 1HD2 LEU 17 -1.317 5.352 1.764
117 HD23 LEU 17 2HD2 LEU 17 -0.828 5.315 0.069
118 H CYS 18 H CYS 18 2.805 3.985 1.748
119 HA CYS 18 HA CYS 18 3.877 2.335 -0.446
120 HB2 CYS 18 1HB CYS 18 4.083 1.809 2.524
121 HB3 CYS 18 2HB CYS 18 4.736 0.777 1.240
122 H CYS 19 H CYS 19 2.695 0.624 -1.101
123 HA CYS 19 HA CYS 19 0.095 0.237 0.204
124 HB2 CYS 19 1HB CYS 19 0.125 0.843 -2.197
125 HB3 CYS 19 2HB CYS 19 1.001 -0.657 -2.541
126 H GLY 20 H GLY 20 0.097 -1.353 1.656
127 HA2 GLY 20 2HA GLY 20 1.971 -3.478 1.695
128 HA3 GLY 20 3HA GLY 20 0.512 -3.373 2.669
129 H LYS 21 H LYS 21 1.892 -5.538 0.983
130 HA LYS 21 HA LYS 21 0.498 -6.289 -1.234
131 HB2 LYS 21 1HB LYS 21 2.401 -7.543 -0.316
132 HB3 LYS 21 2HB LYS 21 1.378 -8.115 1.010
133 HG2 LYS 21 1HG LYS 21 0.201 -8.684 -1.582
134 HG3 LYS 21 2HG LYS 21 1.816 -9.390 -1.402
135 HD2 LYS 21 1HD LYS 21 1.177 -10.554 0.596
136 HD3 LYS 21 2HD LYS 21 -0.376 -9.702 0.645
137 HE2 LYS 21 1HE LYS 21 -1.276 -11.376 -0.522
138 HE3 LYS 21 2HE LYS 21 -0.258 -10.891 -1.886
139 HZ1 LYS 21 3HZ LYS 21 0.844 -12.632 0.218
140 HZ2 LYS 21 1HZ LYS 21 1.313 -12.485 -1.401
141 HZ3 LYS 21 2HZ LYS 21 -0.119 -13.292 -1.005
142 H TYR 22 H TYR 22 -0.599 -6.360 2.079
143 HA TYR 22 HA TYR 22 -2.964 -7.903 1.474
144 HB2 TYR 22 1HB TYR 22 -2.167 -6.390 3.975
145 HB3 TYR 22 2HB TYR 22 -3.562 -7.462 3.837
146 HD1 TYR 22 2HD TYR 22 -3.270 -9.894 3.612
147 HD2 TYR 22 1HD TYR 22 0.059 -7.309 4.193
148 HE1 TYR 22 2HE TYR 22 -1.884 -11.828 4.231
149 HE2 TYR 22 1HE TYR 22 1.456 -9.237 4.812
150 HH TYR 22 HH TYR 22 1.564 -11.549 4.680
151 H GLY 23 H GLY 23 -2.708 -5.570 -0.109
152 HA2 GLY 23 2HA GLY 23 -3.847 -3.675 -0.755
153 HA3 GLY 23 3HA GLY 23 -5.243 -4.542 -0.136
154 H PHE 24 H PHE 24 -2.460 -3.211 1.615
155 HA PHE 24 HA PHE 24 -4.286 -1.329 2.947
156 HB2 PHE 24 1HB PHE 24 -3.756 -3.407 4.324
157 HB3 PHE 24 2HB PHE 24 -2.094 -2.814 4.395
158 HD1 PHE 24 2HD PHE 24 -5.368 -1.055 4.703
159 HD2 PHE 24 1HD PHE 24 -1.650 -2.057 6.517
160 HE1 PHE 24 2HE PHE 24 -5.933 0.360 6.633
161 HE2 PHE 24 1HE PHE 24 -2.210 -0.643 8.452
162 HZ PHE 24 HZ PHE 24 -4.352 0.569 8.511
163 H CYS 25 H CYS 25 -3.608 0.583 2.196
164 HA CYS 25 HA CYS 25 -0.780 1.101 1.781
165 HB2 CYS 25 1HB CYS 25 -3.323 2.574 1.181
166 HB3 CYS 25 2HB CYS 25 -1.770 3.424 1.123
167 H GLY 26 H GLY 26 0.504 1.989 3.252
168 HA2 GLY 26 2HA GLY 26 -0.597 3.896 5.176
169 HA3 GLY 26 3HA GLY 26 0.153 2.446 5.828
170 H SER 27 H SER 27 1.649 3.871 6.897
171 HA SER 27 HA SER 27 3.854 4.655 5.118
172 HB2 SER 27 1HB SER 27 2.463 6.646 5.872
173 HB3 SER 27 2HB SER 27 3.027 6.298 7.516
174 HG SER 27 HG SER 27 4.257 7.820 5.950
175 H GLY 28 H GLY 28 5.742 5.423 6.827
176 HA2 GLY 28 2HA GLY 28 7.228 4.753 8.458
177 HA3 GLY 28 3HA GLY 28 5.938 3.792 9.168
178 H ASP 29 H ASP 29 8.633 2.968 8.983
179 HA ASP 29 HA ASP 29 9.141 1.293 6.777
180 HB2 ASP 29 1HB ASP 29 10.160 0.954 9.612
181 HB3 ASP 29 2HB ASP 29 10.894 0.309 8.136
182 HD2 ASP 29 HD ASP 29 11.918 3.610 7.212
183 H ALA 30 H ALA 30 6.997 0.967 9.401
184 HA ALA 30 HA ALA 30 6.933 -1.812 9.758
185 HB1 ALA 30 1HB ALA 30 5.830 -0.118 11.222
186 HB2 ALA 30 2HB ALA 30 4.578 0.053 9.990
187 HB3 ALA 30 3HB ALA 30 4.809 -1.495 10.804
188 H TYR 31 H TYR 31 5.509 0.250 7.315
189 HA TYR 31 HA TYR 31 4.381 -2.145 6.019
190 HB2 TYR 31 1HB TYR 31 3.411 0.722 5.878
191 HB3 TYR 31 2HB TYR 31 2.747 -0.615 4.936
192 HD1 TYR 31 1HD TYR 31 2.493 -2.799 6.788
193 HD2 TYR 31 2HD TYR 31 1.820 1.350 7.451
194 HE1 TYR 31 1HE TYR 31 0.938 -3.349 8.612
195 HE2 TYR 31 2HE TYR 31 0.264 0.811 9.277
196 HH TYR 31 HH TYR 31 -0.927 -2.337 9.809
197 H CYS 32 H CYS 32 6.561 0.463 5.789
198 HA CYS 32 HA CYS 32 6.736 0.365 2.886
199 HB2 CYS 32 1HB CYS 32 8.001 2.035 5.033
200 HB3 CYS 32 2HB CYS 32 8.689 2.015 3.402
201 H GLY 33 H GLY 33 8.313 -0.946 5.672
202 HA2 GLY 33 2HA GLY 33 10.851 -1.508 4.642
203 HA3 GLY 33 3HA GLY 33 10.045 -2.434 5.898
204 H ALA 34 H ALA 34 11.724 -3.646 4.068
205 HA ALA 34 HA ALA 34 10.184 -4.791 1.921
206 HB1 ALA 34 1HB ALA 34 12.416 -6.365 2.162
207 HB2 ALA 34 2HB ALA 34 12.284 -4.914 1.168
208 HB3 ALA 34 3HB ALA 34 12.968 -4.812 2.791
209 H GLY 35 H GLY 35 8.637 -6.231 2.341
210 HA2 GLY 35 2HA GLY 35 8.925 -8.774 3.173
211 HA3 GLY 35 3HA GLY 35 8.762 -7.914 4.697
212 H SER 36 H SER 36 6.963 -5.926 3.295
213 HA SER 36 HA SER 36 4.590 -7.588 2.861
214 HB2 SER 36 1HB SER 36 4.746 -6.868 5.296
215 HB3 SER 36 2HB SER 36 4.529 -5.205 4.720
216 HG SER 36 HG SER 36 2.555 -6.304 5.347
217 H CYS 37 H CYS 37 6.513 -5.523 1.497
218 HA CYS 37 HA CYS 37 4.580 -3.547 0.588
219 HB2 CYS 37 1HB CYS 37 7.022 -3.054 1.124
220 HB3 CYS 37 2HB CYS 37 7.411 -3.878 -0.395
221 H GLN 38 H GLN 38 3.605 -3.530 -1.364
222 HA GLN 38 HA GLN 38 4.380 -5.590 -3.313
223 HB2 GLN 38 1HB GLN 38 2.426 -6.442 -2.204
224 HB3 GLN 38 2HB GLN 38 1.590 -4.893 -2.396
225 HG2 GLN 38 1HG GLN 38 2.381 -5.770 -4.977
226 HG3 GLN 38 2HG GLN 38 1.612 -7.127 -4.143
227 HE21 GLN 38 1HE2 GLN 38 -0.443 -6.467 -2.931
228 HE22 GLN 38 2HE2 GLN 38 -1.541 -5.461 -3.807
229 H SER 39 H SER 39 2.454 -2.639 -2.828
230 HA SER 39 HA SER 39 3.281 -1.776 -5.520
231 HB2 SER 39 1HB SER 39 1.004 -2.187 -5.839
232 HB3 SER 39 2HB SER 39 0.585 -1.642 -4.205
233 HG SER 39 HG SER 39 0.381 -0.226 -6.340
234 H GLN 40 H GLN 40 3.405 0.547 -5.821
235 HA GLN 40 HA GLN 40 4.293 2.562 -5.238
236 HB2 GLN 40 1HB GLN 40 2.220 2.065 -3.123
237 HB3 GLN 40 2HB GLN 40 3.220 3.525 -3.070
238 HG2 GLN 40 1HG GLN 40 1.509 4.378 -4.266
239 HG3 GLN 40 2HG GLN 40 2.423 3.674 -5.606
240 HE21 GLN 40 1HE2 GLN 40 0.887 3.071 -6.990
241 HE22 GLN 40 2HE2 GLN 40 -0.418 2.000 -6.623
242 H CYS 41 H CYS 41 6.005 0.546 -4.633
243 HA CYS 41 HA CYS 41 6.897 0.740 -1.897
244 HB2 CYS 41 1HB CYS 41 7.964 -0.644 -4.352
245 HB3 CYS 41 2HB CYS 41 8.844 -0.644 -2.814
246 H ARG 42 H ARG 42 6.997 3.200 -2.280
247 HA ARG 42 HA ARG 42 9.755 3.928 -2.387
248 HB2 ARG 42 1HB ARG 42 9.032 3.793 -4.833
249 HB3 ARG 42 2HB ARG 42 8.026 5.210 -4.495
250 HG2 ARG 42 1HG ARG 42 9.792 6.629 -4.363
251 HG3 ARG 42 2HG ARG 42 10.872 5.384 -3.717
252 HD2 ARG 42 1HD ARG 42 9.940 5.605 -6.588
253 HD3 ARG 42 2HD ARG 42 11.538 6.047 -5.970
254 HE ARG 42 HE ARG 42 11.076 3.387 -5.280
255 HH11 ARG 42 1HH1 ARG 42 11.498 5.320 -8.145
256 HH12 ARG 42 2HH1 ARG 42 12.182 4.027 -9.074
257 HH21 ARG 42 1HH2 ARG 42 11.974 1.677 -6.494
258 HH22 ARG 42 2HH2 ARG 42 12.450 1.956 -8.135
259 H GLY 43 H GLY 43 7.309 4.111 -0.693
260 HA2 GLY 43 2HA GLY 43 6.510 6.848 -0.584
261 HA3 GLY 43 3HA GLY 43 6.214 5.630 0.648
262 H CYS 44 H CYS 44 6.661 7.861 1.784
263 HA CYS 44 HA CYS 44 9.526 8.253 2.222
264 HB2 CYS 44 1HB CYS 44 7.260 9.834 3.432
265 HB3 CYS 44 2HB CYS 44 8.958 10.319 3.274
Start of MODEL 8
1 H1 ALA 1 H ALA 1 -4.820 6.020 8.297
2 HA ALA 1 HA ALA 1 -3.895 5.026 6.232
3 HB1 ALA 1 1HB ALA 1 -5.451 2.734 6.873
4 HB2 ALA 1 2HB ALA 1 -3.783 3.097 7.319
5 HB3 ALA 1 3HB ALA 1 -5.106 3.610 8.365
6 H GLN 2 H GLN 2 -4.390 3.715 4.340
7 HA GLN 2 HA GLN 2 -7.144 3.970 3.364
8 HB2 GLN 2 1HB GLN 2 -6.149 4.598 1.099
9 HB3 GLN 2 2HB GLN 2 -6.154 5.850 2.349
10 HG2 GLN 2 1HG GLN 2 -3.716 4.287 2.425
11 HG3 GLN 2 2HG GLN 2 -3.989 5.013 0.837
12 HE21 GLN 2 1HE2 GLN 2 -3.505 5.652 4.227
13 HE22 GLN 2 2HE2 GLN 2 -3.095 7.322 4.058
14 H ARG 3 H ARG 3 -7.779 2.417 1.858
15 HA ARG 3 HA ARG 3 -6.070 0.042 1.810
16 HB2 ARG 3 1HB ARG 3 -8.991 0.360 1.071
17 HB3 ARG 3 2HB ARG 3 -8.101 -1.168 1.156
18 HG2 ARG 3 1HG ARG 3 -7.636 -0.244 3.640
19 HG3 ARG 3 2HG ARG 3 -9.215 0.493 3.317
20 HD2 ARG 3 1HD ARG 3 -10.207 -1.447 3.774
21 HD3 ARG 3 2HD ARG 3 -9.356 -2.172 2.402
22 HE ARG 3 HE ARG 3 -7.548 -2.164 4.481
23 HH11 ARG 3 1HH1 ARG 3 -10.699 -3.510 3.866
24 HH12 ARG 3 2HH1 ARG 3 -10.455 -4.885 4.891
25 HH21 ARG 3 1HH2 ARG 3 -7.215 -3.970 5.833
26 HH22 ARG 3 2HH2 ARG 3 -8.473 -5.145 6.010
27 H CYS 4 H CYS 4 -5.471 -0.996 -0.072
28 HA CYS 4 HA CYS 4 -6.219 0.223 -2.624
29 HB2 CYS 4 1HB CYS 4 -3.772 0.038 -3.317
30 HB3 CYS 4 2HB CYS 4 -4.198 1.375 -2.234
31 H GLY 5 H GLY 5 -4.761 -1.165 -4.374
32 HA2 GLY 5 2HA GLY 5 -4.575 -3.192 -5.436
33 HA3 GLY 5 3HA GLY 5 -4.364 -3.900 -3.841
34 H ASP 6 H ASP 6 -5.574 -5.730 -4.359
35 HA ASP 6 HA ASP 6 -8.117 -5.743 -5.515
36 HB2 ASP 6 1HB ASP 6 -6.409 -7.678 -4.826
37 HB3 ASP 6 2HB ASP 6 -7.490 -7.777 -3.431
38 HD2 ASP 6 HD ASP 6 -8.993 -8.751 -6.978
39 H GLN 7 H GLN 7 -7.103 -4.819 -2.370
40 HA GLN 7 HA GLN 7 -9.666 -5.204 -1.109
41 HB2 GLN 7 1HB GLN 7 -7.170 -3.740 -0.221
42 HB3 GLN 7 2HB GLN 7 -8.617 -3.944 0.781
43 HG2 GLN 7 1HG GLN 7 -7.357 -6.379 -0.382
44 HG3 GLN 7 2HG GLN 7 -6.556 -5.572 0.973
45 HE21 GLN 7 1HE2 GLN 7 -7.167 -7.899 1.699
46 HE22 GLN 7 2HE2 GLN 7 -8.637 -8.014 2.598
47 H ALA 8 H ALA 8 -8.639 -3.087 -3.373
48 HA ALA 8 HA ALA 8 -10.648 -1.111 -2.575
49 HB1 ALA 8 1HB ALA 8 -9.221 0.754 -3.108
50 HB2 ALA 8 2HB ALA 8 -8.432 -0.249 -1.890
51 HB3 ALA 8 3HB ALA 8 -7.912 -0.332 -3.573
52 H ARG 9 H ARG 9 -10.751 -3.241 -4.493
53 HA ARG 9 HA ARG 9 -11.397 -3.653 -6.636
54 HB2 ARG 9 1HB ARG 9 -12.948 -1.728 -5.939
55 HB3 ARG 9 2HB ARG 9 -11.899 -0.700 -6.928
56 HG2 ARG 9 1HG ARG 9 -12.480 -1.801 -8.918
57 HG3 ARG 9 2HG ARG 9 -13.185 -3.169 -8.041
58 HD2 ARG 9 1HD ARG 9 -15.160 -2.116 -7.691
59 HD3 ARG 9 2HD ARG 9 -14.381 -0.545 -7.450
60 HE ARG 9 HE ARG 9 -14.074 -0.972 -10.101
61 HH11 ARG 9 1HH1 ARG 9 -16.822 -1.078 -7.967
62 HH12 ARG 9 2HH1 ARG 9 -17.953 -0.598 -9.189
63 HH21 ARG 9 1HH2 ARG 9 -15.554 -0.339 -11.717
64 HH22 ARG 9 2HH2 ARG 9 -17.231 -0.179 -11.322
65 H GLY 10 H GLY 10 -8.604 -2.953 -6.087
66 HA2 GLY 10 2HA GLY 10 -6.723 -2.928 -7.444
67 HA3 GLY 10 3HA GLY 10 -7.764 -2.632 -8.828
68 H ALA 11 H ALA 11 -7.957 -0.613 -6.005
69 HA ALA 11 HA ALA 11 -7.311 1.712 -7.566
70 HB1 ALA 11 1HB ALA 11 -9.073 1.699 -5.821
71 HB2 ALA 11 2HB ALA 11 -7.812 1.530 -4.599
72 HB3 ALA 11 3HB ALA 11 -7.879 2.978 -5.602
73 H LYS 12 H LYS 12 -5.504 2.963 -7.496
74 HA LYS 12 HA LYS 12 -3.185 1.809 -6.129
75 HB2 LYS 12 1HB LYS 12 -3.473 3.758 -8.418
76 HB3 LYS 12 2HB LYS 12 -1.922 3.455 -7.618
77 HG2 LYS 12 1HG LYS 12 -1.697 1.364 -8.498
78 HG3 LYS 12 2HG LYS 12 -3.449 1.108 -8.599
79 HD2 LYS 12 1HD LYS 12 -2.457 3.286 -10.305
80 HD3 LYS 12 2HD LYS 12 -1.822 1.684 -10.718
81 HE2 LYS 12 1HE LYS 12 -4.699 1.677 -10.161
82 HE3 LYS 12 2HE LYS 12 -4.240 2.708 -11.525
83 HZ1 LYS 12 3HZ LYS 12 -4.569 -0.011 -11.578
84 HZ2 LYS 12 1HZ LYS 12 -2.892 0.202 -11.620
85 HZ3 LYS 12 2HZ LYS 12 -3.866 0.940 -12.788
86 H CYS 13 H CYS 13 -1.655 3.226 -5.060
87 HA CYS 13 HA CYS 13 -3.016 5.464 -3.726
88 HB2 CYS 13 1HB CYS 13 -0.846 3.569 -2.890
89 HB3 CYS 13 2HB CYS 13 -1.021 5.134 -2.078
90 HA PRO 14 HA PRO 14 -0.281 8.462 -5.391
91 HB2 PRO 14 1HB PRO 14 0.063 10.163 -3.273
92 HB3 PRO 14 2HB PRO 14 -1.440 10.038 -4.186
93 HG2 PRO 14 1HG PRO 14 -0.679 8.745 -1.589
94 HG3 PRO 14 2HG PRO 14 -2.213 9.579 -2.041
95 HD2 PRO 14 1HD PRO 14 -1.972 6.874 -1.993
96 HD3 PRO 14 2HD PRO 14 -3.007 7.724 -3.155
97 H ASN 15 H ASN 15 1.779 9.817 -4.626
98 HA ASN 15 HA ASN 15 3.823 7.847 -4.144
99 HB2 ASN 15 1HB ASN 15 3.932 10.832 -4.637
100 HB3 ASN 15 2HB ASN 15 5.367 9.827 -4.409
101 HD21 ASN 15 1HD2 ASN 15 5.874 8.236 -5.959
102 HD22 ASN 15 2HD2 ASN 15 5.266 8.339 -7.573
103 H CYS 16 H CYS 16 5.680 8.509 -2.623
104 HA CYS 16 HA CYS 16 6.447 8.847 -0.509
105 HB2 CYS 16 1HB CYS 16 5.429 11.144 -0.999
106 HB3 CYS 16 2HB CYS 16 4.065 10.620 0.005
107 H LEU 17 H LEU 17 4.024 7.022 -1.258
108 HA LEU 17 HA LEU 17 3.496 6.212 1.516
109 HB2 LEU 17 1HB LEU 17 1.574 7.464 0.338
110 HB3 LEU 17 2HB LEU 17 1.405 5.984 -0.620
111 HG LEU 17 HG LEU 17 1.090 4.746 1.559
112 HD11 LEU 17 1HD1 LEU 17 0.645 7.514 2.659
113 HD12 LEU 17 2HD1 LEU 17 2.079 6.538 2.973
114 HD13 LEU 17 3HD1 LEU 17 0.498 5.982 3.519
115 HD21 LEU 17 3HD2 LEU 17 -1.255 5.423 1.769
116 HD22 LEU 17 1HD2 LEU 17 -0.769 5.277 0.081
117 HD23 LEU 17 2HD2 LEU 17 -0.921 6.871 0.820
118 H CYS 18 H CYS 18 2.854 3.947 1.734
119 HA CYS 18 HA CYS 18 3.904 2.280 -0.460
120 HB2 CYS 18 1HB CYS 18 4.101 1.753 2.511
121 HB3 CYS 18 2HB CYS 18 4.741 0.714 1.226
122 H CYS 19 H CYS 19 2.698 0.584 -1.112
123 HA CYS 19 HA CYS 19 0.091 0.234 0.192
124 HB2 CYS 19 1HB CYS 19 0.132 0.837 -2.210
125 HB3 CYS 19 2HB CYS 19 0.987 -0.676 -2.550
126 H GLY 20 H GLY 20 0.071 -1.353 1.647
127 HA2 GLY 20 2HA GLY 20 1.916 -3.503 1.692
128 HA3 GLY 20 3HA GLY 20 0.457 -3.377 2.664
129 H LYS 21 H LYS 21 1.809 -5.562 0.982
130 HA LYS 21 HA LYS 21 0.407 -6.298 -1.235
131 HB2 LYS 21 1HB LYS 21 2.288 -7.583 -0.335
132 HB3 LYS 21 2HB LYS 21 1.278 -8.119 1.017
133 HG2 LYS 21 1HG LYS 21 -0.251 -9.196 -0.659
134 HG3 LYS 21 2HG LYS 21 0.969 -8.825 -1.889
135 HD2 LYS 21 1HD LYS 21 1.576 -10.972 -1.318
136 HD3 LYS 21 2HD LYS 21 2.592 -10.025 -0.215
137 HE2 LYS 21 1HE LYS 21 1.073 -10.378 1.613
138 HE3 LYS 21 2HE LYS 21 -0.115 -11.120 0.532
139 HZ1 LYS 21 3HZ LYS 21 1.253 -13.001 0.230
140 HZ2 LYS 21 1HZ LYS 21 1.249 -12.698 1.895
141 HZ3 LYS 21 2HZ LYS 21 2.587 -12.259 0.959
142 H TYR 22 H TYR 22 -0.693 -6.348 2.077
143 HA TYR 22 HA TYR 22 -3.079 -7.860 1.472
144 HB2 TYR 22 1HB TYR 22 -2.048 -6.474 3.946
145 HB3 TYR 22 2HB TYR 22 -3.669 -7.168 3.875
146 HD1 TYR 22 2HD TYR 22 -3.975 -9.615 3.573
147 HD2 TYR 22 1HD TYR 22 -0.132 -7.896 4.187
148 HE1 TYR 22 2HE TYR 22 -3.085 -11.831 4.162
149 HE2 TYR 22 1HE TYR 22 0.770 -10.106 4.776
150 HH TYR 22 HH TYR 22 0.264 -12.239 5.236
151 H GLY 23 H GLY 23 -2.790 -5.533 -0.113
152 HA2 GLY 23 2HA GLY 23 -3.903 -3.624 -0.762
153 HA3 GLY 23 3HA GLY 23 -5.312 -4.471 -0.143
154 H PHE 24 H PHE 24 -2.510 -3.174 1.606
155 HA PHE 24 HA PHE 24 -4.311 -1.266 2.936
156 HB2 PHE 24 1HB PHE 24 -3.797 -3.357 4.308
157 HB3 PHE 24 2HB PHE 24 -2.137 -2.764 4.395
158 HD1 PHE 24 2HD PHE 24 -1.599 -0.691 5.591
159 HD2 PHE 24 1HD PHE 24 -5.529 -2.327 5.604
160 HE1 PHE 24 2HE PHE 24 -2.178 0.723 7.521
161 HE2 PHE 24 1HE PHE 24 -6.114 -0.915 7.533
162 HZ PHE 24 HZ PHE 24 -4.437 0.611 8.494
163 H CYS 25 H CYS 25 -3.606 0.636 2.181
164 HA CYS 25 HA CYS 25 -0.772 1.113 1.767
165 HB2 CYS 25 1HB CYS 25 -3.293 2.621 1.164
166 HB3 CYS 25 2HB CYS 25 -1.728 3.450 1.106
167 H GLY 26 H GLY 26 0.524 1.987 3.239
168 HA2 GLY 26 2HA GLY 26 -0.551 3.911 5.159
169 HA3 GLY 26 3HA GLY 26 0.178 2.452 5.813
170 H SER 27 H SER 27 1.694 3.858 6.882
171 HA SER 27 HA SER 27 3.909 4.608 5.103
172 HB2 SER 27 1HB SER 27 2.545 6.619 5.854
173 HB3 SER 27 2HB SER 27 3.105 6.266 7.497
174 HG SER 27 HG SER 27 4.448 7.791 6.425
175 H GLY 28 H GLY 28 5.808 5.352 6.810
176 HA2 GLY 28 2HA GLY 28 7.284 4.663 8.443
177 HA3 GLY 28 3HA GLY 28 5.981 3.722 9.153
178 H ASP 29 H ASP 29 8.664 2.859 8.971
179 HA ASP 29 HA ASP 29 9.149 1.174 6.768
180 HB2 ASP 29 1HB ASP 29 10.365 1.733 9.347
181 HB3 ASP 29 2HB ASP 29 10.441 0.009 8.957
182 HD2 ASP 29 HD ASP 29 13.161 0.675 7.004
183 H ALA 30 H ALA 30 6.998 0.883 9.391
184 HA ALA 30 HA ALA 30 6.895 -1.895 9.753
185 HB1 ALA 30 1HB ALA 30 5.148 0.394 10.360
186 HB2 ALA 30 2HB ALA 30 4.340 -1.170 10.241
187 HB3 ALA 30 3HB ALA 30 5.666 -0.946 11.384
188 H TYR 31 H TYR 31 5.502 0.182 7.305
189 HA TYR 31 HA TYR 31 4.342 -2.199 6.011
190 HB2 TYR 31 1HB TYR 31 3.412 0.680 5.865
191 HB3 TYR 31 2HB TYR 31 2.730 -0.649 4.925
192 HD1 TYR 31 1HD TYR 31 3.118 0.674 8.353
193 HD2 TYR 31 2HD TYR 31 1.159 -2.168 5.866
194 HE1 TYR 31 1HE TYR 31 1.556 0.158 10.182
195 HE2 TYR 31 2HE TYR 31 -0.408 -2.691 7.688
196 HH TYR 31 HH TYR 31 -0.812 -0.780 10.371
197 H CYS 32 H CYS 32 6.558 0.379 5.780
198 HA CYS 32 HA CYS 32 6.733 0.275 2.877
199 HB2 CYS 32 1HB CYS 32 8.018 1.931 5.023
200 HB3 CYS 32 2HB CYS 32 8.708 1.900 3.393
201 H GLY 33 H GLY 33 8.289 -1.055 5.665
202 HA2 GLY 33 2HA GLY 33 10.821 -1.652 4.639
203 HA3 GLY 33 3HA GLY 33 10.001 -2.566 5.896
204 H ALA 34 H ALA 34 11.666 -3.802 4.066
205 HA ALA 34 HA ALA 34 10.112 -4.928 1.920
206 HB1 ALA 34 1HB ALA 34 12.090 -5.530 1.097
207 HB2 ALA 34 2HB ALA 34 12.819 -4.665 2.450
208 HB3 ALA 34 3HB ALA 34 12.518 -6.398 2.572
209 H GLY 35 H GLY 35 8.544 -6.344 2.341
210 HA2 GLY 35 2HA GLY 35 8.796 -8.891 3.174
211 HA3 GLY 35 3HA GLY 35 8.648 -8.029 4.697
212 H SER 36 H SER 36 6.876 -6.016 3.293
213 HA SER 36 HA SER 36 4.479 -7.644 2.866
214 HB2 SER 36 1HB SER 36 4.642 -6.926 5.299
215 HB3 SER 36 2HB SER 36 4.461 -5.260 4.723
216 HG SER 36 HG SER 36 2.593 -7.321 4.812
217 H CYS 37 H CYS 37 6.430 -5.609 1.496
218 HA CYS 37 HA CYS 37 4.524 -3.609 0.584
219 HB2 CYS 37 1HB CYS 37 6.971 -3.146 1.119
220 HB3 CYS 37 2HB CYS 37 7.351 -3.979 -0.397
221 H GLN 38 H GLN 38 3.552 -3.579 -1.369
222 HA GLN 38 HA GLN 38 4.299 -5.655 -3.314
223 HB2 GLN 38 1HB GLN 38 2.334 -6.477 -2.203
224 HB3 GLN 38 2HB GLN 38 1.517 -4.918 -2.399
225 HG2 GLN 38 1HG GLN 38 2.297 -5.809 -4.979
226 HG3 GLN 38 2HG GLN 38 1.513 -7.156 -4.142
227 HE21 GLN 38 1HE2 GLN 38 -0.535 -6.473 -2.931
228 HE22 GLN 38 2HE2 GLN 38 -1.622 -5.456 -3.808
229 H SER 39 H SER 39 2.414 -2.675 -2.833
230 HA SER 39 HA SER 39 3.254 -1.827 -5.528
231 HB2 SER 39 1HB SER 39 0.973 -2.210 -5.847
232 HB3 SER 39 2HB SER 39 0.558 -1.658 -4.215
233 HG SER 39 HG SER 39 1.106 -0.155 -6.513
234 H GLN 40 H GLN 40 3.404 0.495 -5.831
235 HA GLN 40 HA GLN 40 4.318 2.499 -5.250
236 HB2 GLN 40 1HB GLN 40 2.237 2.028 -3.134
237 HB3 GLN 40 2HB GLN 40 3.257 3.476 -3.081
238 HG2 GLN 40 1HG GLN 40 1.553 4.348 -4.276
239 HG3 GLN 40 2HG GLN 40 2.462 3.636 -5.617
240 HE21 GLN 40 1HE2 GLN 40 0.927 3.042 -7.004
241 HE22 GLN 40 2HE2 GLN 40 -0.392 1.987 -6.639
242 H CYS 41 H CYS 41 5.999 0.455 -4.640
243 HA CYS 41 HA CYS 41 6.897 0.642 -1.907
244 HB2 CYS 41 1HB CYS 41 7.945 -0.754 -4.361
245 HB3 CYS 41 2HB CYS 41 8.829 -0.763 -2.826
246 H ARG 42 H ARG 42 7.028 3.101 -2.284
247 HA ARG 42 HA ARG 42 9.794 3.794 -2.395
248 HB2 ARG 42 1HB ARG 42 9.045 3.673 -4.842
249 HB3 ARG 42 2HB ARG 42 8.084 5.116 -4.491
250 HG2 ARG 42 1HG ARG 42 9.902 6.480 -4.320
251 HG3 ARG 42 2HG ARG 42 10.959 5.171 -3.766
252 HD2 ARG 42 1HD ARG 42 11.136 4.264 -5.981
253 HD3 ARG 42 2HD ARG 42 9.889 5.370 -6.574
254 HE ARG 42 HE ARG 42 11.860 6.999 -5.590
255 HH11 ARG 42 1HH1 ARG 42 11.679 4.468 -7.973
256 HH12 ARG 42 2HH1 ARG 42 12.947 5.123 -8.955
257 HH21 ARG 42 1HH2 ARG 42 13.530 7.871 -6.873
258 HH22 ARG 42 2HH2 ARG 42 13.999 7.059 -8.328
259 H GLY 43 H GLY 43 7.356 4.004 -0.695
260 HA2 GLY 43 2HA GLY 43 6.587 6.748 -0.579
261 HA3 GLY 43 3HA GLY 43 6.284 5.533 0.653
262 H CYS 44 H CYS 44 6.762 7.767 1.781
263 HA CYS 44 HA CYS 44 9.632 8.118 2.212
264 HB2 CYS 44 1HB CYS 44 7.392 9.738 3.417
265 HB3 CYS 44 2HB CYS 44 9.095 10.198 3.255
Start of MODEL 9
1 H1 ALA 1 H ALA 1 -4.999 6.574 7.785
2 HA ALA 1 HA ALA 1 -3.890 4.223 6.535
3 HB1 ALA 1 1HB ALA 1 -4.705 4.073 8.809
4 HB2 ALA 1 2HB ALA 1 -6.318 4.567 8.291
5 HB3 ALA 1 3HB ALA 1 -5.655 3.021 7.759
6 H GLN 2 H GLN 2 -4.350 3.687 4.511
7 HA GLN 2 HA GLN 2 -7.113 3.962 3.569
8 HB2 GLN 2 1HB GLN 2 -6.160 4.628 1.306
9 HB3 GLN 2 2HB GLN 2 -6.112 5.859 2.579
10 HG2 GLN 2 1HG GLN 2 -3.697 4.281 2.603
11 HG3 GLN 2 2HG GLN 2 -3.995 4.967 0.999
12 HE21 GLN 2 1HE2 GLN 2 -4.606 7.323 1.009
13 HE22 GLN 2 2HE2 GLN 2 -3.727 8.351 2.084
14 H ARG 3 H ARG 3 -7.769 2.429 2.051
15 HA ARG 3 HA ARG 3 -6.064 0.053 1.951
16 HB2 ARG 3 1HB ARG 3 -8.991 0.381 1.248
17 HB3 ARG 3 2HB ARG 3 -8.102 -1.149 1.312
18 HG2 ARG 3 1HG ARG 3 -7.616 -0.496 3.775
19 HG3 ARG 3 2HG ARG 3 -8.981 0.613 3.559
20 HD2 ARG 3 1HD ARG 3 -10.297 -1.114 4.108
21 HD3 ARG 3 2HD ARG 3 -9.925 -1.745 2.498
22 HE ARG 3 HE ARG 3 -8.709 -3.400 3.485
23 HH11 ARG 3 1HH1 ARG 3 -9.037 -0.768 5.740
24 HH12 ARG 3 2HH1 ARG 3 -8.278 -1.619 7.044
25 HH21 ARG 3 1HH2 ARG 3 -7.709 -4.531 5.194
26 HH22 ARG 3 2HH2 ARG 3 -7.522 -3.759 6.733
27 H CYS 4 H CYS 4 -5.488 -0.960 0.049
28 HA CYS 4 HA CYS 4 -6.267 0.292 -2.479
29 HB2 CYS 4 1HB CYS 4 -3.829 0.114 -3.203
30 HB3 CYS 4 2HB CYS 4 -4.244 1.439 -2.104
31 H GLY 5 H GLY 5 -4.839 -1.073 -4.267
32 HA2 GLY 5 2HA GLY 5 -4.636 -3.090 -5.344
33 HA3 GLY 5 3HA GLY 5 -4.458 -3.823 -3.756
34 H ASP 6 H ASP 6 -5.686 -5.628 -4.284
35 HA ASP 6 HA ASP 6 -8.204 -5.607 -5.495
36 HB2 ASP 6 1HB ASP 6 -6.613 -7.587 -4.931
37 HB3 ASP 6 2HB ASP 6 -7.475 -7.620 -3.387
38 HD2 ASP 6 HD ASP 6 -9.185 -9.243 -6.467
39 H GLN 7 H GLN 7 -7.244 -4.707 -2.323
40 HA GLN 7 HA GLN 7 -9.839 -5.050 -1.120
41 HB2 GLN 7 1HB GLN 7 -7.236 -3.833 -0.231
42 HB3 GLN 7 2HB GLN 7 -8.714 -3.608 0.717
43 HG2 GLN 7 1HG GLN 7 -7.384 -5.456 1.580
44 HG3 GLN 7 2HG GLN 7 -8.950 -6.008 0.973
45 HE21 GLN 7 1HE2 GLN 7 -9.045 -7.347 -0.786
46 HE22 GLN 7 2HE2 GLN 7 -7.651 -8.080 -1.494
47 H ALA 8 H ALA 8 -8.722 -2.942 -3.354
48 HA ALA 8 HA ALA 8 -10.710 -0.928 -2.586
49 HB1 ALA 8 1HB ALA 8 -8.472 -0.119 -1.894
50 HB2 ALA 8 2HB ALA 8 -7.958 -0.206 -3.579
51 HB3 ALA 8 3HB ALA 8 -9.243 0.904 -3.105
52 H ARG 9 H ARG 9 -10.816 -3.075 -4.503
53 HA ARG 9 HA ARG 9 -11.470 -3.479 -6.643
54 HB2 ARG 9 1HB ARG 9 -12.967 -1.496 -5.965
55 HB3 ARG 9 2HB ARG 9 -11.894 -0.520 -6.979
56 HG2 ARG 9 1HG ARG 9 -12.855 -1.217 -8.863
57 HG3 ARG 9 2HG ARG 9 -12.806 -2.909 -8.344
58 HD2 ARG 9 1HD ARG 9 -14.867 -2.763 -7.224
59 HD3 ARG 9 2HD ARG 9 -14.810 -0.996 -7.197
60 HE ARG 9 HE ARG 9 -15.752 -0.966 -9.280
61 HH11 ARG 9 1HH1 ARG 9 -14.496 -4.151 -8.647
62 HH12 ARG 9 2HH1 ARG 9 -15.188 -4.849 -10.075
63 HH21 ARG 9 1HH2 ARG 9 -16.668 -1.874 -11.162
64 HH22 ARG 9 2HH2 ARG 9 -16.421 -3.553 -11.505
65 H GLY 10 H GLY 10 -8.667 -2.862 -6.082
66 HA2 GLY 10 2HA GLY 10 -6.776 -2.893 -7.427
67 HA3 GLY 10 3HA GLY 10 -7.799 -2.564 -8.818
68 H ALA 11 H ALA 11 -8.017 -0.521 -6.030
69 HA ALA 11 HA ALA 11 -7.237 1.767 -7.583
70 HB1 ALA 11 1HB ALA 11 -7.848 3.071 -5.663
71 HB2 ALA 11 2HB ALA 11 -9.065 1.816 -5.903
72 HB3 ALA 11 3HB ALA 11 -7.850 1.637 -4.635
73 H LYS 12 H LYS 12 -5.405 2.982 -7.431
74 HA LYS 12 HA LYS 12 -3.176 1.769 -5.963
75 HB2 LYS 12 1HB LYS 12 -3.252 3.760 -8.241
76 HB3 LYS 12 2HB LYS 12 -1.766 3.253 -7.423
77 HG2 LYS 12 1HG LYS 12 -2.397 0.871 -8.050
78 HG3 LYS 12 2HG LYS 12 -3.605 1.600 -9.123
79 HD2 LYS 12 1HD LYS 12 -1.472 3.040 -9.869
80 HD3 LYS 12 2HD LYS 12 -0.650 1.561 -9.339
81 HE2 LYS 12 1HE LYS 12 -1.762 0.223 -10.918
82 HE3 LYS 12 2HE LYS 12 -3.007 1.451 -11.192
83 HZ1 LYS 12 3HZ LYS 12 -0.282 2.253 -11.809
84 HZ2 LYS 12 1HZ LYS 12 -1.720 2.567 -12.642
85 HZ3 LYS 12 2HZ LYS 12 -0.949 1.072 -12.822
86 H CYS 13 H CYS 13 -1.612 3.205 -4.916
87 HA CYS 13 HA CYS 13 -2.979 5.463 -3.620
88 HB2 CYS 13 1HB CYS 13 -0.819 3.574 -2.745
89 HB3 CYS 13 2HB CYS 13 -0.995 5.150 -1.954
90 HA PRO 14 HA PRO 14 -0.227 8.437 -5.299
91 HB2 PRO 14 1HB PRO 14 0.114 10.158 -3.196
92 HB3 PRO 14 2HB PRO 14 -1.386 10.029 -4.115
93 HG2 PRO 14 1HG PRO 14 -0.643 8.759 -1.502
94 HG3 PRO 14 2HG PRO 14 -2.172 9.594 -1.971
95 HD2 PRO 14 1HD PRO 14 -1.940 6.890 -1.893
96 HD3 PRO 14 2HD PRO 14 -2.965 7.729 -3.070
97 H ASN 15 H ASN 15 1.836 9.790 -4.545
98 HA ASN 15 HA ASN 15 3.873 7.824 -4.039
99 HB2 ASN 15 1HB ASN 15 4.115 10.827 -4.385
100 HB3 ASN 15 2HB ASN 15 5.447 9.665 -4.431
101 HD21 ASN 15 1HD2 ASN 15 4.147 11.577 -6.419
102 HD22 ASN 15 2HD2 ASN 15 3.942 10.610 -7.836
103 H CYS 16 H CYS 16 5.720 8.480 -2.508
104 HA CYS 16 HA CYS 16 6.476 8.822 -0.389
105 HB2 CYS 16 1HB CYS 16 5.458 11.118 -0.884
106 HB3 CYS 16 2HB CYS 16 4.090 10.591 0.113
107 H LEU 17 H LEU 17 4.048 7.002 -1.155
108 HA LEU 17 HA LEU 17 3.516 6.180 1.615
109 HB2 LEU 17 1HB LEU 17 1.600 7.449 0.448
110 HB3 LEU 17 2HB LEU 17 1.421 5.976 -0.521
111 HG LEU 17 HG LEU 17 1.091 4.722 1.640
112 HD11 LEU 17 1HD1 LEU 17 2.061 6.248 3.203
113 HD12 LEU 17 2HD1 LEU 17 0.341 6.112 3.565
114 HD13 LEU 17 3HD1 LEU 17 0.953 7.531 2.716
115 HD21 LEU 17 3HD2 LEU 17 -0.758 5.362 0.152
116 HD22 LEU 17 1HD2 LEU 17 -0.905 6.894 1.015
117 HD23 LEU 17 2HD2 LEU 17 -1.235 5.376 1.850
118 H CYS 18 H CYS 18 2.852 3.915 1.815
119 HA CYS 18 HA CYS 18 3.890 2.257 -0.390
120 HB2 CYS 18 1HB CYS 18 4.104 1.723 2.578
121 HB3 CYS 18 2HB CYS 18 4.721 0.673 1.290
122 H CYS 19 H CYS 19 2.669 0.577 -1.051
123 HA CYS 19 HA CYS 19 0.072 0.226 0.272
124 HB2 CYS 19 1HB CYS 19 0.102 0.858 -2.126
125 HB3 CYS 19 2HB CYS 19 0.934 -0.664 -2.489
126 H GLY 20 H GLY 20 0.071 -1.374 1.716
127 HA2 GLY 20 2HA GLY 20 1.901 -3.534 1.712
128 HA3 GLY 20 3HA GLY 20 0.454 -3.412 2.702
129 H LYS 21 H LYS 21 1.776 -5.586 0.981
130 HA LYS 21 HA LYS 21 0.345 -6.289 -1.228
131 HB2 LYS 21 1HB LYS 21 2.206 -7.619 -0.444
132 HB3 LYS 21 2HB LYS 21 1.300 -8.090 1.004
133 HG2 LYS 21 1HG LYS 21 -0.154 -8.755 -1.412
134 HG3 LYS 21 2HG LYS 21 1.461 -9.485 -1.385
135 HD2 LYS 21 1HD LYS 21 1.028 -10.490 0.779
136 HD3 LYS 21 2HD LYS 21 -0.546 -9.679 0.860
137 HE2 LYS 21 1HE LYS 21 -1.468 -11.440 -0.147
138 HE3 LYS 21 2HE LYS 21 -0.513 -11.058 -1.585
139 HZ1 LYS 21 3HZ LYS 21 -0.138 -13.152 0.362
140 HZ2 LYS 21 1HZ LYS 21 1.285 -12.333 -0.047
141 HZ3 LYS 21 2HZ LYS 21 0.360 -13.073 -1.254
142 H TYR 22 H TYR 22 -0.719 -6.368 2.096
143 HA TYR 22 HA TYR 22 -3.119 -7.864 1.501
144 HB2 TYR 22 1HB TYR 22 -2.167 -6.431 3.992
145 HB3 TYR 22 2HB TYR 22 -3.691 -7.316 3.894
146 HD1 TYR 22 1HD TYR 22 -3.580 -9.806 3.226
147 HD2 TYR 22 2HD TYR 22 -0.211 -7.587 4.579
148 HE1 TYR 22 1HE TYR 22 -2.434 -11.906 3.800
149 HE2 TYR 22 2HE TYR 22 0.945 -9.679 5.155
150 HH TYR 22 HH TYR 22 0.198 -12.563 4.029
151 H GLY 23 H GLY 23 -2.835 -5.524 -0.066
152 HA2 GLY 23 2HA GLY 23 -3.945 -3.604 -0.688
153 HA3 GLY 23 3HA GLY 23 -5.352 -4.452 -0.062
154 H PHE 24 H PHE 24 -2.531 -3.190 1.678
155 HA PHE 24 HA PHE 24 -4.310 -1.284 3.039
156 HB2 PHE 24 1HB PHE 24 -3.820 -3.369 4.403
157 HB3 PHE 24 2HB PHE 24 -2.138 -2.836 4.447
158 HD1 PHE 24 2HD PHE 24 -5.534 -1.448 5.128
159 HD2 PHE 24 1HD PHE 24 -1.435 -1.624 6.259
160 HE1 PHE 24 2HE PHE 24 -6.013 -0.024 7.077
161 HE2 PHE 24 1HE PHE 24 -1.907 -0.201 8.210
162 HZ PHE 24 HZ PHE 24 -4.199 0.602 8.620
163 H CYS 25 H CYS 25 -3.604 0.624 2.298
164 HA CYS 25 HA CYS 25 -0.772 1.092 1.861
165 HB2 CYS 25 1HB CYS 25 -3.293 2.614 1.295
166 HB3 CYS 25 2HB CYS 25 -1.725 3.439 1.230
167 H GLY 26 H GLY 26 0.542 1.946 3.327
168 HA2 GLY 26 2HA GLY 26 -0.507 3.857 5.276
169 HA3 GLY 26 3HA GLY 26 0.221 2.389 5.910
170 H SER 27 H SER 27 1.754 3.774 6.977
171 HA SER 27 HA SER 27 3.956 4.533 5.185
172 HB2 SER 27 1HB SER 27 2.609 6.544 5.971
173 HB3 SER 27 2HB SER 27 3.184 6.169 7.605
174 HG SER 27 HG SER 27 4.424 7.650 5.944
175 H GLY 28 H GLY 28 5.875 5.249 6.881
176 HA2 GLY 28 2HA GLY 28 7.365 4.535 8.490
177 HA3 GLY 28 3HA GLY 28 6.063 3.597 9.208
178 H ASP 29 H ASP 29 8.733 2.713 8.994
179 HA ASP 29 HA ASP 29 9.187 1.044 6.771
180 HB2 ASP 29 1HB ASP 29 10.476 1.644 9.265
181 HB3 ASP 29 2HB ASP 29 10.435 -0.110 9.041
182 HD2 ASP 29 HD ASP 29 12.885 1.999 6.844
183 H ALA 30 H ALA 30 7.055 0.745 9.409
184 HA ALA 30 HA ALA 30 6.928 -2.033 9.746
185 HB1 ALA 30 1HB ALA 30 5.584 0.187 10.759
186 HB2 ALA 30 2HB ALA 30 4.332 -0.806 10.011
187 HB3 ALA 30 3HB ALA 30 5.382 -1.497 11.248
188 H TYR 31 H TYR 31 5.538 0.074 7.321
189 HA TYR 31 HA TYR 31 4.358 -2.289 6.012
190 HB2 TYR 31 1HB TYR 31 3.442 0.597 5.893
191 HB3 TYR 31 2HB TYR 31 2.746 -0.723 4.951
192 HD1 TYR 31 2HD TYR 31 2.129 -2.867 6.527
193 HD2 TYR 31 1HD TYR 31 2.212 1.207 7.753
194 HE1 TYR 31 2HE TYR 31 0.576 -3.392 8.360
195 HE2 TYR 31 1HE TYR 31 0.658 0.692 9.589
196 HH TYR 31 HH TYR 31 -0.133 -1.130 10.874
197 H CYS 32 H CYS 32 6.589 0.277 5.795
198 HA CYS 32 HA CYS 32 6.746 0.204 2.890
199 HB2 CYS 32 1HB CYS 32 8.056 1.826 5.046
200 HB3 CYS 32 2HB CYS 32 8.737 1.807 3.411
201 H GLY 33 H GLY 33 8.305 -1.174 5.652
202 HA2 GLY 33 2HA GLY 33 10.828 -1.776 4.608
203 HA3 GLY 33 3HA GLY 33 10.004 -2.701 5.855
204 H ALA 34 H ALA 34 11.656 -3.919 3.997
205 HA ALA 34 HA ALA 34 10.082 -5.007 1.844
206 HB1 ALA 34 1HB ALA 34 12.865 -5.047 2.668
207 HB2 ALA 34 2HB ALA 34 12.307 -6.620 2.097
208 HB3 ALA 34 3HB ALA 34 12.158 -5.202 1.059
209 H GLY 35 H GLY 35 8.521 -6.436 2.239
210 HA2 GLY 35 2HA GLY 35 8.759 -8.990 3.033
211 HA3 GLY 35 3HA GLY 35 8.633 -8.154 4.574
212 H SER 36 H SER 36 6.859 -6.106 3.220
213 HA SER 36 HA SER 36 4.447 -7.711 2.798
214 HB2 SER 36 1HB SER 36 4.671 -7.003 5.242
215 HB3 SER 36 2HB SER 36 4.434 -5.342 4.670
216 HG SER 36 HG SER 36 2.395 -5.795 4.107
217 H CYS 37 H CYS 37 6.396 -5.669 1.434
218 HA CYS 37 HA CYS 37 4.494 -3.643 0.573
219 HB2 CYS 37 1HB CYS 37 6.950 -3.205 1.084
220 HB3 CYS 37 2HB CYS 37 7.307 -4.023 -0.447
221 H GLN 38 H GLN 38 3.499 -3.577 -1.368
222 HA GLN 38 HA GLN 38 4.203 -5.636 -3.349
223 HB2 GLN 38 1HB GLN 38 2.237 -6.440 -2.218
224 HB3 GLN 38 2HB GLN 38 1.437 -4.870 -2.407
225 HG2 GLN 38 1HG GLN 38 2.185 -5.748 -4.994
226 HG3 GLN 38 2HG GLN 38 1.417 -7.107 -4.162
227 HE21 GLN 38 1HE2 GLN 38 -0.619 -6.442 -2.915
228 HE22 GLN 38 2HE2 GLN 38 -1.722 -5.426 -3.772
229 H SER 39 H SER 39 2.358 -2.641 -2.814
230 HA SER 39 HA SER 39 3.192 -1.764 -5.500
231 HB2 SER 39 1HB SER 39 0.908 -2.130 -5.821
232 HB3 SER 39 2HB SER 39 0.499 -1.597 -4.181
233 HG SER 39 HG SER 39 -0.064 0.086 -5.447
234 H GLN 40 H GLN 40 3.370 0.555 -5.773
235 HA GLN 40 HA GLN 40 4.284 2.551 -5.166
236 HB2 GLN 40 1HB GLN 40 2.470 2.182 -2.770
237 HB3 GLN 40 2HB GLN 40 3.193 3.710 -3.298
238 HG2 GLN 40 1HG GLN 40 1.083 2.079 -4.693
239 HG3 GLN 40 2HG GLN 40 0.955 3.720 -4.044
240 HE21 GLN 40 1HE2 GLN 40 0.501 2.638 -6.758
241 HE22 GLN 40 2HE2 GLN 40 1.495 3.590 -7.801
242 H CYS 41 H CYS 41 5.961 0.490 -4.600
243 HA CYS 41 HA CYS 41 6.878 0.628 -1.870
244 HB2 CYS 41 1HB CYS 41 7.909 -0.726 -4.357
245 HB3 CYS 41 2HB CYS 41 8.801 -0.765 -2.828
246 H ARG 42 H ARG 42 7.014 3.091 -2.200
247 HA ARG 42 HA ARG 42 9.779 3.782 -2.316
248 HB2 ARG 42 1HB ARG 42 9.047 3.708 -4.758
249 HB3 ARG 42 2HB ARG 42 8.048 5.121 -4.388
250 HG2 ARG 42 1HG ARG 42 9.783 6.517 -4.470
251 HG3 ARG 42 2HG ARG 42 10.795 5.437 -3.496
252 HD2 ARG 42 1HD ARG 42 11.950 5.397 -5.485
253 HD3 ARG 42 2HD ARG 42 10.864 4.015 -5.700
254 HE ARG 42 HE ARG 42 9.462 6.084 -6.751
255 HH11 ARG 42 1HH1 ARG 42 12.671 4.838 -7.263
256 HH12 ARG 42 2HH1 ARG 42 12.737 5.327 -8.925
257 HH21 ARG 42 1HH2 ARG 42 9.536 6.734 -8.936
258 HH22 ARG 42 2HH2 ARG 42 10.954 6.407 -9.874
259 H GLY 43 H GLY 43 7.350 3.966 -0.599
260 HA2 GLY 43 2HA GLY 43 6.574 6.702 -0.430
261 HA3 GLY 43 3HA GLY 43 6.300 5.469 0.791
262 H CYS 44 H CYS 44 6.794 7.761 1.871
263 HA CYS 44 HA CYS 44 9.664 8.099 2.286
264 HB2 CYS 44 1HB CYS 44 7.427 9.704 3.521
265 HB3 CYS 44 2HB CYS 44 9.129 10.169 3.357
Start of MODEL 10
1 H1 ALA 1 H ALA 1 -5.728 6.652 7.226
2 HA ALA 1 HA ALA 1 -3.732 4.855 6.387
3 HB1 ALA 1 1HB ALA 1 -3.904 3.236 7.904
4 HB2 ALA 1 2HB ALA 1 -5.349 3.956 8.616
5 HB3 ALA 1 3HB ALA 1 -5.492 2.885 7.221
6 H GLN 2 H GLN 2 -4.299 3.779 4.503
7 HA GLN 2 HA GLN 2 -7.073 4.031 3.588
8 HB2 GLN 2 1HB GLN 2 -6.128 4.662 1.302
9 HB3 GLN 2 2HB GLN 2 -6.110 5.914 2.554
10 HG2 GLN 2 1HG GLN 2 -3.670 4.312 2.506
11 HG3 GLN 2 2HG GLN 2 -3.985 5.171 0.992
12 HE21 GLN 2 1HE2 GLN 2 -2.974 5.433 4.233
13 HE22 GLN 2 2HE2 GLN 2 -2.718 7.141 4.260
14 H ARG 3 H ARG 3 -7.739 2.479 2.095
15 HA ARG 3 HA ARG 3 -6.026 0.108 2.003
16 HB2 ARG 3 1HB ARG 3 -8.965 0.422 1.339
17 HB3 ARG 3 2HB ARG 3 -8.070 -1.105 1.393
18 HG2 ARG 3 1HG ARG 3 -7.693 0.243 3.878
19 HG3 ARG 3 2HG ARG 3 -9.423 0.206 3.496
20 HD2 ARG 3 1HD ARG 3 -7.578 -2.195 3.489
21 HD3 ARG 3 2HD ARG 3 -8.708 -1.766 4.781
22 HE ARG 3 HE ARG 3 -10.053 -1.982 2.291
23 HH11 ARG 3 1HH1 ARG 3 -8.639 -3.876 4.847
24 HH12 ARG 3 2HH1 ARG 3 -9.663 -5.248 4.574
25 HH21 ARG 3 1HH2 ARG 3 -11.406 -3.781 1.921
26 HH22 ARG 3 2HH2 ARG 3 -11.235 -5.193 2.909
27 H CYS 4 H CYS 4 -5.472 -0.927 0.106
28 HA CYS 4 HA CYS 4 -6.283 0.297 -2.425
29 HB2 CYS 4 1HB CYS 4 -3.855 0.114 -3.178
30 HB3 CYS 4 2HB CYS 4 -4.254 1.448 -2.084
31 H GLY 5 H GLY 5 -4.876 -1.087 -4.217
32 HA2 GLY 5 2HA GLY 5 -4.680 -3.117 -5.272
33 HA3 GLY 5 3HA GLY 5 -4.490 -3.833 -3.679
34 H ASP 6 H ASP 6 -5.724 -5.642 -4.179
35 HA ASP 6 HA ASP 6 -8.255 -5.629 -5.366
36 HB2 ASP 6 1HB ASP 6 -7.021 -7.687 -5.161
37 HB3 ASP 6 2HB ASP 6 -7.021 -7.562 -3.396
38 HD2 ASP 6 HD ASP 6 -9.995 -9.220 -3.201
39 H GLN 7 H GLN 7 -7.262 -4.709 -2.209
40 HA GLN 7 HA GLN 7 -9.845 -5.038 -0.979
41 HB2 GLN 7 1HB GLN 7 -7.221 -3.847 -0.132
42 HB3 GLN 7 2HB GLN 7 -8.684 -3.552 0.820
43 HG2 GLN 7 1HG GLN 7 -7.313 -5.433 1.661
44 HG3 GLN 7 2HG GLN 7 -8.971 -5.885 1.238
45 HE21 GLN 7 1HE2 GLN 7 -5.673 -6.466 0.699
46 HE22 GLN 7 2HE2 GLN 7 -5.839 -7.647 -0.552
47 H ALA 8 H ALA 8 -8.744 -2.946 -3.238
48 HA ALA 8 HA ALA 8 -10.723 -0.924 -2.467
49 HB1 ALA 8 1HB ALA 8 -9.279 0.902 -2.961
50 HB2 ALA 8 2HB ALA 8 -8.426 -0.152 -1.835
51 HB3 ALA 8 3HB ALA 8 -8.015 -0.178 -3.549
52 H ARG 9 H ARG 9 -10.852 -3.092 -4.362
53 HA ARG 9 HA ARG 9 -11.537 -3.518 -6.488
54 HB2 ARG 9 1HB ARG 9 -13.046 -1.556 -5.820
55 HB3 ARG 9 2HB ARG 9 -11.974 -0.556 -6.814
56 HG2 ARG 9 1HG ARG 9 -13.545 -1.035 -8.377
57 HG3 ARG 9 2HG ARG 9 -12.491 -2.440 -8.605
58 HD2 ARG 9 1HD ARG 9 -13.991 -3.561 -6.798
59 HD3 ARG 9 2HD ARG 9 -15.132 -2.272 -7.206
60 HE ARG 9 HE ARG 9 -14.478 -4.566 -8.799
61 HH11 ARG 9 1HH1 ARG 9 -15.633 -1.282 -8.872
62 HH12 ARG 9 2HH1 ARG 9 -16.480 -1.475 -10.371
63 HH21 ARG 9 1HH2 ARG 9 -15.590 -4.833 -10.773
64 HH22 ARG 9 2HH2 ARG 9 -16.455 -3.495 -11.452
65 H GLY 10 H GLY 10 -8.726 -2.891 -5.974
66 HA2 GLY 10 2HA GLY 10 -6.856 -2.931 -7.345
67 HA3 GLY 10 3HA GLY 10 -7.899 -2.616 -8.724
68 H ALA 11 H ALA 11 -8.082 -0.548 -5.953
69 HA ALA 11 HA ALA 11 -7.324 1.726 -7.539
70 HB1 ALA 11 1HB ALA 11 -7.919 3.049 -5.627
71 HB2 ALA 11 2HB ALA 11 -9.135 1.789 -5.839
72 HB3 ALA 11 3HB ALA 11 -7.908 1.627 -4.583
73 H LYS 12 H LYS 12 -5.494 2.948 -7.415
74 HA LYS 12 HA LYS 12 -3.248 1.755 -5.958
75 HB2 LYS 12 1HB LYS 12 -3.311 3.764 -8.222
76 HB3 LYS 12 2HB LYS 12 -1.837 3.157 -7.451
77 HG2 LYS 12 1HG LYS 12 -1.927 1.156 -8.500
78 HG3 LYS 12 2HG LYS 12 -3.699 1.121 -8.499
79 HD2 LYS 12 1HD LYS 12 -3.780 2.722 -10.322
80 HD3 LYS 12 2HD LYS 12 -2.015 2.878 -10.284
81 HE2 LYS 12 1HE LYS 12 -2.125 1.342 -11.948
82 HE3 LYS 12 2HE LYS 12 -2.212 0.221 -10.581
83 HZ1 LYS 12 3HZ LYS 12 -4.476 -0.068 -10.845
84 HZ2 LYS 12 1HZ LYS 12 -3.940 0.025 -12.447
85 HZ3 LYS 12 2HZ LYS 12 -4.677 1.364 -11.724
86 H CYS 13 H CYS 13 -1.674 3.206 -4.945
87 HA CYS 13 HA CYS 13 -3.033 5.474 -3.659
88 HB2 CYS 13 1HB CYS 13 -0.858 3.601 -2.788
89 HB3 CYS 13 2HB CYS 13 -1.031 5.185 -2.011
90 HA PRO 14 HA PRO 14 -0.307 8.436 -5.401
91 HB2 PRO 14 1HB PRO 14 0.048 10.184 -3.322
92 HB3 PRO 14 2HB PRO 14 -1.459 10.038 -4.224
93 HG2 PRO 14 1HG PRO 14 -0.684 8.801 -1.603
94 HG3 PRO 14 2HG PRO 14 -2.220 9.625 -2.066
95 HD2 PRO 14 1HD PRO 14 -1.982 6.922 -1.960
96 HD3 PRO 14 2HD PRO 14 -3.020 7.746 -3.135
97 H ASN 15 H ASN 15 1.760 9.803 -4.688
98 HA ASN 15 HA ASN 15 3.806 7.848 -4.178
99 HB2 ASN 15 1HB ASN 15 4.012 10.844 -4.598
100 HB3 ASN 15 2HB ASN 15 5.369 9.712 -4.585
101 HD21 ASN 15 1HD2 ASN 15 4.732 11.414 -6.725
102 HD22 ASN 15 2HD2 ASN 15 4.305 10.436 -8.083
103 H CYS 16 H CYS 16 5.671 8.535 -2.677
104 HA CYS 16 HA CYS 16 6.450 8.913 -0.573
105 HB2 CYS 16 1HB CYS 16 5.408 11.195 -1.086
106 HB3 CYS 16 2HB CYS 16 4.058 10.671 -0.067
107 H LEU 17 H LEU 17 4.021 7.069 -1.285
108 HA LEU 17 HA LEU 17 3.534 6.276 1.501
109 HB2 LEU 17 1HB LEU 17 1.595 7.525 0.349
110 HB3 LEU 17 2HB LEU 17 1.406 6.040 -0.599
111 HG LEU 17 HG LEU 17 1.114 4.810 1.580
112 HD11 LEU 17 1HD1 LEU 17 0.587 6.044 3.559
113 HD12 LEU 17 2HD1 LEU 17 0.733 7.579 2.702
114 HD13 LEU 17 3HD1 LEU 17 2.163 6.583 2.977
115 HD21 LEU 17 3HD2 LEU 17 -0.765 5.397 0.133
116 HD22 LEU 17 1HD2 LEU 17 -0.890 6.967 0.927
117 HD23 LEU 17 2HD2 LEU 17 -1.213 5.491 1.837
118 H CYS 18 H CYS 18 2.881 4.013 1.735
119 HA CYS 18 HA CYS 18 3.899 2.335 -0.465
120 HB2 CYS 18 1HB CYS 18 4.137 1.825 2.507
121 HB3 CYS 18 2HB CYS 18 4.749 0.769 1.222
122 H CYS 19 H CYS 19 2.675 0.647 -1.101
123 HA CYS 19 HA CYS 19 0.090 0.302 0.248
124 HB2 CYS 19 1HB CYS 19 0.087 0.915 -2.150
125 HB3 CYS 19 2HB CYS 19 0.932 -0.599 -2.515
126 H GLY 20 H GLY 20 0.132 -1.278 1.717
127 HA2 GLY 20 2HA GLY 20 1.958 -3.437 1.707
128 HA3 GLY 20 3HA GLY 20 0.520 -3.312 2.710
129 H LYS 21 H LYS 21 1.836 -5.490 0.987
130 HA LYS 21 HA LYS 21 0.380 -6.214 -1.200
131 HB2 LYS 21 1HB LYS 21 2.304 -7.476 -0.261
132 HB3 LYS 21 2HB LYS 21 1.232 -8.106 1.000
133 HG2 LYS 21 1HG LYS 21 0.200 -8.529 -1.701
134 HG3 LYS 21 2HG LYS 21 1.761 -9.312 -1.401
135 HD2 LYS 21 1HD LYS 21 0.925 -10.658 0.293
136 HD3 LYS 21 2HD LYS 21 -0.433 -9.567 0.616
137 HE2 LYS 21 1HE LYS 21 -1.269 -11.563 -0.457
138 HE3 LYS 21 2HE LYS 21 -1.413 -10.192 -1.568
139 HZ1 LYS 21 3HZ LYS 21 0.533 -10.921 -2.739
140 HZ2 LYS 21 1HZ LYS 21 -0.552 -12.215 -2.637
141 HZ3 LYS 21 2HZ LYS 21 0.803 -12.166 -1.626
142 H TYR 22 H TYR 22 -0.640 -6.275 2.135
143 HA TYR 22 HA TYR 22 -3.035 -7.794 1.586
144 HB2 TYR 22 1HB TYR 22 -2.032 -6.353 4.048
145 HB3 TYR 22 2HB TYR 22 -3.578 -7.201 3.988
146 HD1 TYR 22 1HD TYR 22 -3.433 -9.706 3.110
147 HD2 TYR 22 2HD TYR 22 -0.201 -7.544 4.838
148 HE1 TYR 22 1HE TYR 22 -2.326 -11.827 3.680
149 HE2 TYR 22 2HE TYR 22 0.914 -9.659 5.412
150 HH TYR 22 HH TYR 22 0.822 -12.113 4.439
151 H GLY 23 H GLY 23 -2.791 -5.466 -0.004
152 HA2 GLY 23 2HA GLY 23 -3.925 -3.560 -0.624
153 HA3 GLY 23 3HA GLY 23 -5.317 -4.411 0.029
154 H PHE 24 H PHE 24 -2.479 -3.115 1.717
155 HA PHE 24 HA PHE 24 -4.250 -1.208 3.085
156 HB2 PHE 24 1HB PHE 24 -3.658 -3.332 4.423
157 HB3 PHE 24 2HB PHE 24 -2.033 -2.652 4.521
158 HD1 PHE 24 1HD PHE 24 -1.826 -0.242 5.436
159 HD2 PHE 24 2HD PHE 24 -5.232 -2.727 6.020
160 HE1 PHE 24 1HE PHE 24 -2.486 1.124 7.373
161 HE2 PHE 24 2HE PHE 24 -5.897 -1.364 7.957
162 HZ PHE 24 HZ PHE 24 -4.524 0.564 8.635
163 H CYS 25 H CYS 25 -3.563 0.695 2.320
164 HA CYS 25 HA CYS 25 -0.739 1.174 1.844
165 HB2 CYS 25 1HB CYS 25 -3.272 2.682 1.296
166 HB3 CYS 25 2HB CYS 25 -1.709 3.510 1.203
167 H GLY 26 H GLY 26 0.588 2.046 3.289
168 HA2 GLY 26 2HA GLY 26 -0.447 3.970 5.231
169 HA3 GLY 26 3HA GLY 26 0.294 2.511 5.871
170 H SER 27 H SER 27 1.832 3.916 6.909
171 HA SER 27 HA SER 27 4.013 4.660 5.086
172 HB2 SER 27 1HB SER 27 2.670 6.676 5.859
173 HB3 SER 27 2HB SER 27 3.256 6.321 7.494
174 HG SER 27 HG SER 27 5.018 7.314 6.970
175 H GLY 28 H GLY 28 5.945 5.405 6.757
176 HA2 GLY 28 2HA GLY 28 7.452 4.715 8.362
177 HA3 GLY 28 3HA GLY 28 6.162 3.774 9.097
178 H ASP 29 H ASP 29 8.840 2.911 8.863
179 HA ASP 29 HA ASP 29 9.281 1.224 6.651
180 HB2 ASP 29 1HB ASP 29 10.357 0.741 9.434
181 HB3 ASP 29 2HB ASP 29 11.097 0.309 7.887
182 HD2 ASP 29 HD ASP 29 11.815 3.822 7.375
183 H ALA 30 H ALA 30 7.189 0.933 9.323
184 HA ALA 30 HA ALA 30 7.091 -1.844 9.685
185 HB1 ALA 30 1HB ALA 30 4.506 -0.533 9.961
186 HB2 ALA 30 2HB ALA 30 5.490 -1.365 11.165
187 HB3 ALA 30 3HB ALA 30 5.810 0.327 10.781
188 H TYR 31 H TYR 31 5.650 0.233 7.266
189 HA TYR 31 HA TYR 31 4.457 -2.147 6.001
190 HB2 TYR 31 1HB TYR 31 3.529 0.736 5.868
191 HB3 TYR 31 2HB TYR 31 2.822 -0.597 4.952
192 HD1 TYR 31 2HD TYR 31 1.531 -2.360 6.081
193 HD2 TYR 31 1HD TYR 31 3.037 0.995 8.219
194 HE1 TYR 31 2HE TYR 31 0.007 -2.870 7.943
195 HE2 TYR 31 1HE TYR 31 1.519 0.494 10.088
196 HH TYR 31 HH TYR 31 -0.825 -0.798 10.259
197 H CYS 32 H CYS 32 6.674 0.426 5.720
198 HA CYS 32 HA CYS 32 6.785 0.322 2.815
199 HB2 CYS 32 1HB CYS 32 8.121 1.973 4.933
200 HB3 CYS 32 2HB CYS 32 8.778 1.938 3.287
201 H GLY 33 H GLY 33 8.393 -1.022 5.566
202 HA2 GLY 33 2HA GLY 33 10.902 -1.623 4.488
203 HA3 GLY 33 3HA GLY 33 10.103 -2.539 5.757
204 H ALA 34 H ALA 34 11.725 -3.780 3.899
205 HA ALA 34 HA ALA 34 10.131 -4.889 1.773
206 HB1 ALA 34 1HB ALA 34 12.913 -5.380 2.775
207 HB2 ALA 34 2HB ALA 34 12.175 -6.431 1.566
208 HB3 ALA 34 3HB ALA 34 12.390 -4.713 1.228
209 H GLY 35 H GLY 35 8.611 -6.363 2.137
210 HA2 GLY 35 2HA GLY 35 8.837 -8.888 2.974
211 HA3 GLY 35 3HA GLY 35 8.730 -8.042 4.510
212 H SER 36 H SER 36 6.943 -5.999 3.171
213 HA SER 36 HA SER 36 4.524 -7.603 2.781
214 HB2 SER 36 1HB SER 36 4.539 -7.062 5.165
215 HB3 SER 36 2HB SER 36 4.772 -5.347 4.785
216 HG SER 36 HG SER 36 2.493 -6.573 5.061
217 H CYS 37 H CYS 37 6.459 -5.568 1.390
218 HA CYS 37 HA CYS 37 4.549 -3.541 0.546
219 HB2 CYS 37 1HB CYS 37 7.008 -3.099 1.027
220 HB3 CYS 37 2HB CYS 37 7.351 -3.928 -0.501
221 H GLN 38 H GLN 38 3.525 -3.487 -1.378
222 HA GLN 38 HA GLN 38 4.199 -5.557 -3.357
223 HB2 GLN 38 1HB GLN 38 2.249 -6.394 -2.304
224 HB3 GLN 38 2HB GLN 38 1.482 -4.797 -2.298
225 HG2 GLN 38 1HG GLN 38 1.312 -4.861 -4.743
226 HG3 GLN 38 2HG GLN 38 2.052 -6.468 -4.735
227 HE21 GLN 38 1HE2 GLN 38 -0.685 -4.672 -3.395
228 HE22 GLN 38 2HE2 GLN 38 -1.794 -5.996 -3.423
229 H SER 39 H SER 39 2.345 -2.559 -2.849
230 HA SER 39 HA SER 39 3.195 -1.697 -5.535
231 HB2 SER 39 1HB SER 39 0.909 -2.062 -5.856
232 HB3 SER 39 2HB SER 39 0.499 -1.516 -4.221
233 HG SER 39 HG SER 39 0.492 -0.091 -6.443
234 H GLN 40 H GLN 40 3.391 0.614 -5.824
235 HA GLN 40 HA GLN 40 4.297 2.617 -5.231
236 HB2 GLN 40 1HB GLN 40 2.459 2.233 -2.857
237 HB3 GLN 40 2HB GLN 40 3.227 3.762 -3.316
238 HG2 GLN 40 1HG GLN 40 1.168 2.216 -4.887
239 HG3 GLN 40 2HG GLN 40 0.958 3.774 -4.074
240 HE21 GLN 40 1HE2 GLN 40 0.500 3.170 -6.840
241 HE22 GLN 40 2HE2 GLN 40 1.555 4.182 -7.760
242 H CYS 41 H CYS 41 5.986 0.573 -4.671
243 HA CYS 41 HA CYS 41 6.912 0.716 -1.944
244 HB2 CYS 41 1HB CYS 41 7.930 -0.645 -4.431
245 HB3 CYS 41 2HB CYS 41 8.835 -0.675 -2.908
246 H ARG 42 H ARG 42 7.038 3.181 -2.293
247 HA ARG 42 HA ARG 42 9.801 3.879 -2.413
248 HB2 ARG 42 1HB ARG 42 9.045 3.781 -4.857
249 HB3 ARG 42 2HB ARG 42 8.080 5.218 -4.490
250 HG2 ARG 42 1HG ARG 42 9.897 6.585 -4.298
251 HG3 ARG 42 2HG ARG 42 10.961 5.266 -3.782
252 HD2 ARG 42 1HD ARG 42 9.876 5.608 -6.587
253 HD3 ARG 42 2HD ARG 42 11.483 6.115 -6.050
254 HE ARG 42 HE ARG 42 10.654 3.461 -6.703
255 HH11 ARG 42 1HH1 ARG 42 12.833 5.327 -4.731
256 HH12 ARG 42 2HH1 ARG 42 14.005 4.059 -4.596
257 HH21 ARG 42 1HH2 ARG 42 12.190 1.783 -6.533
258 HH22 ARG 42 2HH2 ARG 42 13.639 2.043 -5.622
259 H GLY 43 H GLY 43 7.370 4.071 -0.700
260 HA2 GLY 43 2HA GLY 43 6.572 6.796 -0.553
261 HA3 GLY 43 3HA GLY 43 6.330 5.579 0.690
262 H CYS 44 H CYS 44 6.804 7.893 1.730
263 HA CYS 44 HA CYS 44 9.676 8.264 2.111
264 HB2 CYS 44 1HB CYS 44 7.445 9.888 3.328
265 HB3 CYS 44 2HB CYS 44 9.140 10.358 3.126
Start of MODEL 11
1 H1 ALA 1 H ALA 1 -5.556 6.832 6.747
2 HA ALA 1 HA ALA 1 -3.857 4.780 6.204
3 HB1 ALA 1 1HB ALA 1 -4.844 4.038 8.534
4 HB2 ALA 1 2HB ALA 1 -6.144 3.411 7.520
5 HB3 ALA 1 3HB ALA 1 -4.487 2.861 7.270
6 H GLN 2 H GLN 2 -4.399 3.740 4.319
7 HA GLN 2 HA GLN 2 -7.152 4.005 3.347
8 HB2 GLN 2 1HB GLN 2 -6.160 4.592 1.070
9 HB3 GLN 2 2HB GLN 2 -6.150 5.863 2.303
10 HG2 GLN 2 1HG GLN 2 -3.724 4.293 2.413
11 HG3 GLN 2 2HG GLN 2 -3.993 4.968 0.799
12 HE21 GLN 2 1HE2 GLN 2 -4.623 7.323 0.790
13 HE22 GLN 2 2HE2 GLN 2 -3.770 8.360 1.875
14 H ARG 3 H ARG 3 -7.807 2.437 1.866
15 HA ARG 3 HA ARG 3 -6.116 0.047 1.844
16 HB2 ARG 3 1HB ARG 3 -9.037 0.375 1.110
17 HB3 ARG 3 2HB ARG 3 -8.157 -1.158 1.221
18 HG2 ARG 3 1HG ARG 3 -7.681 -0.412 3.671
19 HG3 ARG 3 2HG ARG 3 -9.069 0.656 3.406
20 HD2 ARG 3 1HD ARG 3 -10.390 -1.063 3.939
21 HD3 ARG 3 2HD ARG 3 -9.893 -1.804 2.410
22 HE ARG 3 HE ARG 3 -8.679 -3.324 3.598
23 HH11 ARG 3 1HH1 ARG 3 -9.297 -0.562 5.625
24 HH12 ARG 3 2HH1 ARG 3 -8.614 -1.285 7.043
25 HH21 ARG 3 1HH2 ARG 3 -7.777 -4.288 5.459
26 HH22 ARG 3 2HH2 ARG 3 -7.749 -3.404 6.948
27 H CYS 4 H CYS 4 -5.530 -1.018 -0.024
28 HA CYS 4 HA CYS 4 -6.282 0.167 -2.591
29 HB2 CYS 4 1HB CYS 4 -3.840 -0.038 -3.291
30 HB3 CYS 4 2HB CYS 4 -4.255 1.316 -2.228
31 H GLY 5 H GLY 5 -4.845 -1.252 -4.329
32 HA2 GLY 5 2HA GLY 5 -4.642 -3.299 -5.349
33 HA3 GLY 5 3HA GLY 5 -4.480 -3.989 -3.740
34 H ASP 6 H ASP 6 -5.711 -5.804 -4.244
35 HA ASP 6 HA ASP 6 -8.223 -5.799 -5.467
36 HB2 ASP 6 1HB ASP 6 -6.509 -7.713 -4.412
37 HB3 ASP 6 2HB ASP 6 -7.958 -7.844 -3.406
38 HD2 ASP 6 HD ASP 6 -8.103 -9.178 -7.083
39 H GLN 7 H GLN 7 -7.275 -4.840 -2.308
40 HA GLN 7 HA GLN 7 -9.876 -5.149 -1.110
41 HB2 GLN 7 1HB GLN 7 -7.279 -3.904 -0.238
42 HB3 GLN 7 2HB GLN 7 -8.762 -3.674 0.702
43 HG2 GLN 7 1HG GLN 7 -7.436 -5.493 1.611
44 HG3 GLN 7 2HG GLN 7 -8.980 -6.083 0.980
45 HE21 GLN 7 1HE2 GLN 7 -9.014 -7.348 -0.873
46 HE22 GLN 7 2HE2 GLN 7 -7.591 -8.104 -1.498
47 H ALA 8 H ALA 8 -8.734 -3.085 -3.379
48 HA ALA 8 HA ALA 8 -10.728 -1.056 -2.669
49 HB1 ALA 8 1HB ALA 8 -7.945 -0.391 -3.623
50 HB2 ALA 8 2HB ALA 8 -9.238 0.757 -3.275
51 HB3 ALA 8 3HB ALA 8 -8.533 -0.197 -1.971
52 H ARG 9 H ARG 9 -10.831 -3.242 -4.537
53 HA ARG 9 HA ARG 9 -11.473 -3.693 -6.673
54 HB2 ARG 9 1HB ARG 9 -12.989 -1.717 -6.056
55 HB3 ARG 9 2HB ARG 9 -11.899 -0.737 -7.045
56 HG2 ARG 9 1HG ARG 9 -12.761 -1.481 -8.967
57 HG3 ARG 9 2HG ARG 9 -12.818 -3.154 -8.391
58 HD2 ARG 9 1HD ARG 9 -15.071 -2.580 -8.721
59 HD3 ARG 9 2HD ARG 9 -14.815 -2.428 -6.977
60 HE ARG 9 HE ARG 9 -14.331 0.072 -8.095
61 HH11 ARG 9 1HH1 ARG 9 -16.987 -2.149 -7.733
62 HH12 ARG 9 2HH1 ARG 9 -18.194 -0.907 -7.714
63 HH21 ARG 9 1HH2 ARG 9 -15.910 1.716 -8.071
64 HH22 ARG 9 2HH2 ARG 9 -17.581 1.292 -7.907
65 H GLY 10 H GLY 10 -8.672 -3.060 -6.111
66 HA2 GLY 10 2HA GLY 10 -6.776 -3.120 -7.444
67 HA3 GLY 10 3HA GLY 10 -7.791 -2.826 -8.848
68 H ALA 11 H ALA 11 -8.013 -0.721 -6.103
69 HA ALA 11 HA ALA 11 -7.241 1.534 -7.705
70 HB1 ALA 11 1HB ALA 11 -7.844 1.462 -4.753
71 HB2 ALA 11 2HB ALA 11 -7.846 2.876 -5.807
72 HB3 ALA 11 3HB ALA 11 -9.062 1.617 -6.020
73 H LYS 12 H LYS 12 -5.413 2.761 -7.579
74 HA LYS 12 HA LYS 12 -3.175 1.580 -6.099
75 HB2 LYS 12 1HB LYS 12 -3.289 3.494 -8.437
76 HB3 LYS 12 2HB LYS 12 -1.789 3.081 -7.593
77 HG2 LYS 12 1HG LYS 12 -2.572 0.610 -8.110
78 HG3 LYS 12 2HG LYS 12 -3.460 1.428 -9.408
79 HD2 LYS 12 1HD LYS 12 -1.590 1.910 -10.577
80 HD3 LYS 12 2HD LYS 12 -0.659 2.273 -9.112
81 HE2 LYS 12 1HE LYS 12 0.131 0.161 -8.915
82 HE3 LYS 12 2HE LYS 12 -1.389 -0.557 -9.471
83 HZ1 LYS 12 3HZ LYS 12 -0.153 0.842 -11.594
84 HZ2 LYS 12 1HZ LYS 12 -0.547 -0.801 -11.489
85 HZ3 LYS 12 2HZ LYS 12 0.947 -0.252 -10.919
86 H CYS 13 H CYS 13 -1.620 3.026 -5.068
87 HA CYS 13 HA CYS 13 -2.980 5.316 -3.826
88 HB2 CYS 13 1HB CYS 13 -0.836 3.435 -2.900
89 HB3 CYS 13 2HB CYS 13 -1.008 5.027 -2.143
90 HA PRO 14 HA PRO 14 -0.202 8.241 -5.550
91 HB2 PRO 14 1HB PRO 14 0.133 10.004 -3.482
92 HB3 PRO 14 2HB PRO 14 -1.360 9.862 -4.407
93 HG2 PRO 14 1HG PRO 14 -0.638 8.644 -1.763
94 HG3 PRO 14 2HG PRO 14 -2.161 9.476 -2.258
95 HD2 PRO 14 1HD PRO 14 -1.946 6.773 -2.123
96 HD3 PRO 14 2HD PRO 14 -2.958 7.593 -3.323
97 H ASN 15 H ASN 15 1.864 9.598 -4.812
98 HA ASN 15 HA ASN 15 3.886 7.631 -4.251
99 HB2 ASN 15 1HB ASN 15 4.174 10.624 -4.638
100 HB3 ASN 15 2HB ASN 15 5.475 9.427 -4.702
101 HD21 ASN 15 1HD2 ASN 15 3.701 11.317 -6.589
102 HD22 ASN 15 2HD2 ASN 15 3.636 10.369 -8.032
103 H CYS 16 H CYS 16 5.730 8.318 -2.726
104 HA CYS 16 HA CYS 16 6.476 8.704 -0.611
105 HB2 CYS 16 1HB CYS 16 5.466 10.993 -1.163
106 HB3 CYS 16 2HB CYS 16 4.093 10.492 -0.163
107 H LEU 17 H LEU 17 4.047 6.875 -1.348
108 HA LEU 17 HA LEU 17 3.500 6.115 1.437
109 HB2 LEU 17 1HB LEU 17 1.594 7.369 0.236
110 HB3 LEU 17 2HB LEU 17 1.411 5.876 -0.700
111 HG LEU 17 HG LEU 17 1.075 4.673 1.492
112 HD11 LEU 17 1HD1 LEU 17 2.043 6.270 3.004
113 HD12 LEU 17 2HD1 LEU 17 0.331 6.091 3.383
114 HD13 LEU 17 3HD1 LEU 17 0.893 7.507 2.498
115 HD21 LEU 17 3HD2 LEU 17 -1.250 5.295 1.651
116 HD22 LEU 17 1HD2 LEU 17 -0.758 5.300 -0.043
117 HD23 LEU 17 2HD2 LEU 17 -0.933 6.823 0.829
118 H CYS 18 H CYS 18 2.831 3.859 1.684
119 HA CYS 18 HA CYS 18 3.867 2.151 -0.483
120 HB2 CYS 18 1HB CYS 18 4.065 1.670 2.496
121 HB3 CYS 18 2HB CYS 18 4.688 0.600 1.229
122 H CYS 19 H CYS 19 2.641 0.460 -1.111
123 HA CYS 19 HA CYS 19 0.036 0.153 0.203
124 HB2 CYS 19 1HB CYS 19 0.081 0.721 -2.209
125 HB3 CYS 19 2HB CYS 19 0.914 -0.810 -2.528
126 H GLY 20 H GLY 20 0.032 -1.402 1.697
127 HA2 GLY 20 2HA GLY 20 1.846 -3.571 1.763
128 HA3 GLY 20 3HA GLY 20 0.391 -3.418 2.736
129 H LYS 21 H LYS 21 1.722 -5.640 1.083
130 HA LYS 21 HA LYS 21 0.306 -6.396 -1.120
131 HB2 LYS 21 1HB LYS 21 2.181 -7.681 -0.204
132 HB3 LYS 21 2HB LYS 21 1.169 -8.194 1.154
133 HG2 LYS 21 1HG LYS 21 -0.100 -9.630 -0.139
134 HG3 LYS 21 2HG LYS 21 0.312 -8.787 -1.644
135 HD2 LYS 21 1HD LYS 21 2.642 -9.593 -1.439
136 HD3 LYS 21 2HD LYS 21 2.171 -10.494 0.013
137 HE2 LYS 21 1HE LYS 21 1.980 -12.149 -1.570
138 HE3 LYS 21 2HE LYS 21 0.337 -11.491 -1.583
139 HZ1 LYS 21 3HZ LYS 21 0.581 -10.688 -3.647
140 HZ2 LYS 21 1HZ LYS 21 1.843 -11.809 -3.767
141 HZ3 LYS 21 2HZ LYS 21 2.179 -10.194 -3.398
142 H TYR 22 H TYR 22 -0.784 -6.385 2.195
143 HA TYR 22 HA TYR 22 -3.182 -7.893 1.622
144 HB2 TYR 22 1HB TYR 22 -2.367 -6.340 4.094
145 HB3 TYR 22 2HB TYR 22 -3.764 -7.410 3.974
146 HD1 TYR 22 2HD TYR 22 -2.991 -9.824 2.831
147 HD2 TYR 22 1HD TYR 22 -0.632 -7.283 5.296
148 HE1 TYR 22 2HE TYR 22 -1.610 -11.752 3.487
149 HE2 TYR 22 1HE TYR 22 0.757 -9.202 5.958
150 HH TYR 22 HH TYR 22 1.030 -11.407 5.832
151 H GLY 23 H GLY 23 -2.881 -5.595 -0.006
152 HA2 GLY 23 2HA GLY 23 -3.983 -3.690 -0.686
153 HA3 GLY 23 3HA GLY 23 -5.395 -4.519 -0.050
154 H PHE 24 H PHE 24 -2.586 -3.214 1.678
155 HA PHE 24 HA PHE 24 -4.371 -1.268 2.971
156 HB2 PHE 24 1HB PHE 24 -3.911 -3.310 4.400
157 HB3 PHE 24 2HB PHE 24 -2.222 -2.802 4.438
158 HD1 PHE 24 2HD PHE 24 -1.662 -0.515 5.379
159 HD2 PHE 24 1HD PHE 24 -5.451 -2.381 5.903
160 HE1 PHE 24 2HE PHE 24 -2.125 0.970 7.283
161 HE2 PHE 24 1HE PHE 24 -5.921 -0.898 7.809
162 HZ PHE 24 HZ PHE 24 -4.257 0.779 8.503
163 H CYS 25 H CYS 25 -3.651 0.617 2.194
164 HA CYS 25 HA CYS 25 -0.814 1.064 1.766
165 HB2 CYS 25 1HB CYS 25 -3.322 2.585 1.147
166 HB3 CYS 25 2HB CYS 25 -1.751 3.399 1.073
167 H GLY 26 H GLY 26 0.493 1.945 3.223
168 HA2 GLY 26 2HA GLY 26 -0.561 3.908 5.117
169 HA3 GLY 26 3HA GLY 26 0.155 2.451 5.792
170 H SER 27 H SER 27 1.685 3.860 6.837
171 HA SER 27 HA SER 27 3.906 4.561 5.045
172 HB2 SER 27 1HB SER 27 2.564 6.596 5.769
173 HB3 SER 27 2HB SER 27 3.120 6.260 7.417
174 HG SER 27 HG SER 27 4.450 7.772 6.231
175 H GLY 28 H GLY 28 5.813 5.312 6.740
176 HA2 GLY 28 2HA GLY 28 7.287 4.629 8.377
177 HA3 GLY 28 3HA GLY 28 5.975 3.715 9.107
178 H ASP 29 H ASP 29 8.643 2.814 8.935
179 HA ASP 29 HA ASP 29 9.106 1.090 6.758
180 HB2 ASP 29 1HB ASP 29 10.676 -0.084 8.392
181 HB3 ASP 29 2HB ASP 29 10.976 1.634 8.099
182 HD2 ASP 29 HD ASP 29 9.967 2.489 11.344
183 H ALA 30 H ALA 30 6.948 0.866 9.380
184 HA ALA 30 HA ALA 30 6.806 -1.904 9.784
185 HB1 ALA 30 1HB ALA 30 4.384 -1.347 10.457
186 HB2 ALA 30 2HB ALA 30 5.701 -0.618 11.377
187 HB3 ALA 30 3HB ALA 30 4.845 0.330 10.161
188 H TYR 31 H TYR 31 5.446 0.152 7.299
189 HA TYR 31 HA TYR 31 4.264 -2.236 6.038
190 HB2 TYR 31 1HB TYR 31 3.365 0.652 5.844
191 HB3 TYR 31 2HB TYR 31 2.669 -0.687 4.927
192 HD1 TYR 31 1HD TYR 31 2.338 -2.829 6.800
193 HD2 TYR 31 2HD TYR 31 1.808 1.347 7.420
194 HE1 TYR 31 1HE TYR 31 0.767 -3.306 8.631
195 HE2 TYR 31 2HE TYR 31 0.236 0.881 9.253
196 HH TYR 31 HH TYR 31 -0.305 -0.902 10.806
197 H CYS 32 H CYS 32 6.507 0.316 5.775
198 HA CYS 32 HA CYS 32 6.689 0.167 2.875
199 HB2 CYS 32 1HB CYS 32 7.985 1.843 4.999
200 HB3 CYS 32 2HB CYS 32 8.680 1.778 3.371
201 H GLY 33 H GLY 33 8.221 -1.141 5.686
202 HA2 GLY 33 2HA GLY 33 10.751 -1.777 4.679
203 HA3 GLY 33 3HA GLY 33 9.915 -2.666 5.944
204 H ALA 34 H ALA 34 11.576 -3.941 4.136
205 HA ALA 34 HA ALA 34 10.020 -5.080 1.998
206 HB1 ALA 34 1HB ALA 34 12.196 -6.703 2.229
207 HB2 ALA 34 2HB ALA 34 12.134 -5.222 1.273
208 HB3 ALA 34 3HB ALA 34 12.800 -5.190 2.906
209 H GLY 35 H GLY 35 8.456 -6.501 2.403
210 HA2 GLY 35 2HA GLY 35 8.668 -9.030 3.270
211 HA3 GLY 35 3HA GLY 35 8.536 -8.155 4.789
212 H SER 36 H SER 36 6.784 -6.131 3.374
213 HA SER 36 HA SER 36 4.365 -7.732 2.971
214 HB2 SER 36 1HB SER 36 4.329 -7.149 5.339
215 HB3 SER 36 2HB SER 36 4.593 -5.441 4.938
216 HG SER 36 HG SER 36 2.340 -6.983 4.153
217 H CYS 37 H CYS 37 6.336 -5.733 1.576
218 HA CYS 37 HA CYS 37 4.452 -3.715 0.655
219 HB2 CYS 37 1HB CYS 37 6.902 -3.272 1.175
220 HB3 CYS 37 2HB CYS 37 7.273 -4.135 -0.327
221 H GLN 38 H GLN 38 3.470 -3.692 -1.292
222 HA GLN 38 HA GLN 38 4.171 -5.805 -3.216
223 HB2 GLN 38 1HB GLN 38 2.176 -6.540 -2.077
224 HB3 GLN 38 2HB GLN 38 1.404 -4.968 -2.341
225 HG2 GLN 38 1HG GLN 38 2.169 -5.930 -4.882
226 HG3 GLN 38 2HG GLN 38 1.406 -7.273 -4.019
227 HE21 GLN 38 1HE2 GLN 38 -0.647 -6.590 -2.811
228 HE22 GLN 38 2HE2 GLN 38 -1.750 -5.608 -3.705
229 H SER 39 H SER 39 2.345 -2.779 -2.792
230 HA SER 39 HA SER 39 3.243 -1.978 -5.480
231 HB2 SER 39 1HB SER 39 0.961 -2.338 -5.841
232 HB3 SER 39 2HB SER 39 0.523 -1.758 -4.224
233 HG SER 39 HG SER 39 0.056 -0.015 -5.346
234 H GLN 40 H GLN 40 3.483 0.316 -5.808
235 HA GLN 40 HA GLN 40 4.380 2.328 -5.236
236 HB2 GLN 40 1HB GLN 40 2.277 1.897 -3.134
237 HB3 GLN 40 2HB GLN 40 3.311 3.334 -3.086
238 HG2 GLN 40 1HG GLN 40 1.637 4.220 -4.307
239 HG3 GLN 40 2HG GLN 40 2.536 3.471 -5.633
240 HE21 GLN 40 1HE2 GLN 40 0.964 2.925 -7.010
241 HE22 GLN 40 2HE2 GLN 40 -0.364 1.885 -6.636
242 H CYS 41 H CYS 41 6.044 0.286 -4.604
243 HA CYS 41 HA CYS 41 6.916 0.478 -1.861
244 HB2 CYS 41 1HB CYS 41 7.982 -0.940 -4.297
245 HB3 CYS 41 2HB CYS 41 8.840 -0.952 -2.747
246 H ARG 42 H ARG 42 7.068 2.935 -2.264
247 HA ARG 42 HA ARG 42 9.839 3.608 -2.341
248 HB2 ARG 42 1HB ARG 42 9.121 3.459 -4.801
249 HB3 ARG 42 2HB ARG 42 8.179 4.923 -4.481
250 HG2 ARG 42 1HG ARG 42 9.980 6.254 -4.500
251 HG3 ARG 42 2HG ARG 42 10.964 5.085 -3.603
252 HD2 ARG 42 1HD ARG 42 11.652 3.971 -5.513
253 HD3 ARG 42 2HD ARG 42 10.243 4.506 -6.439
254 HE ARG 42 HE ARG 42 12.743 5.866 -6.185
255 HH11 ARG 42 1HH1 ARG 42 9.326 6.320 -6.670
256 HH12 ARG 42 2HH1 ARG 42 9.512 7.830 -7.498
257 HH21 ARG 42 1HH2 ARG 42 13.001 7.853 -7.273
258 HH22 ARG 42 2HH2 ARG 42 11.603 8.702 -7.841
259 H GLY 43 H GLY 43 7.375 3.858 -0.686
260 HA2 GLY 43 2HA GLY 43 6.612 6.603 -0.620
261 HA3 GLY 43 3HA GLY 43 6.302 5.410 0.633
262 H CYS 44 H CYS 44 6.777 7.694 1.693
263 HA CYS 44 HA CYS 44 9.642 8.046 2.146
264 HB2 CYS 44 1HB CYS 44 7.393 9.691 3.302
265 HB3 CYS 44 2HB CYS 44 9.097 10.146 3.142
Start of MODEL 12
1 H1 ALA 1 H ALA 1 -3.258 5.771 6.048
2 HA ALA 1 HA ALA 1 -4.251 3.750 6.644
3 HB1 ALA 1 1HB ALA 1 -5.161 5.128 8.682
4 HB2 ALA 1 2HB ALA 1 -6.664 5.094 7.760
5 HB3 ALA 1 3HB ALA 1 -5.889 3.585 8.240
6 H GLN 2 H GLN 2 -4.434 3.521 4.383
7 HA GLN 2 HA GLN 2 -7.190 3.765 3.414
8 HB2 GLN 2 1HB GLN 2 -6.206 4.396 1.145
9 HB3 GLN 2 2HB GLN 2 -6.219 5.651 2.393
10 HG2 GLN 2 1HG GLN 2 -3.772 4.041 2.358
11 HG3 GLN 2 2HG GLN 2 -4.066 4.956 0.872
12 HE21 GLN 2 1HE2 GLN 2 -3.991 7.176 0.903
13 HE22 GLN 2 2HE2 GLN 2 -3.391 8.078 2.248
14 H ARG 3 H ARG 3 -7.820 2.208 1.910
15 HA ARG 3 HA ARG 3 -6.098 -0.157 1.857
16 HB2 ARG 3 1HB ARG 3 -9.040 0.226 1.276
17 HB3 ARG 3 2HB ARG 3 -8.189 -1.310 1.065
18 HG2 ARG 3 1HG ARG 3 -9.151 -1.561 3.149
19 HG3 ARG 3 2HG ARG 3 -7.513 -1.011 3.541
20 HD2 ARG 3 1HD ARG 3 -9.318 1.229 3.134
21 HD3 ARG 3 2HD ARG 3 -9.903 0.129 4.390
22 HE ARG 3 HE ARG 3 -7.120 0.830 4.645
23 HH11 ARG 3 1HH1 ARG 3 -10.397 1.693 5.444
24 HH12 ARG 3 2HH1 ARG 3 -9.950 2.617 6.840
25 HH21 ARG 3 1HH2 ARG 3 -6.520 2.045 6.480
26 HH22 ARG 3 2HH2 ARG 3 -7.746 2.819 7.427
27 H CYS 4 H CYS 4 -5.502 -1.196 -0.027
28 HA CYS 4 HA CYS 4 -6.259 0.022 -2.577
29 HB2 CYS 4 1HB CYS 4 -3.812 -0.160 -3.274
30 HB3 CYS 4 2HB CYS 4 -4.245 1.183 -2.200
31 H GLY 5 H GLY 5 -4.812 -1.359 -4.335
32 HA2 GLY 5 2HA GLY 5 -4.577 -3.391 -5.379
33 HA3 GLY 5 3HA GLY 5 -4.432 -4.104 -3.780
34 H ASP 6 H ASP 6 -5.651 -5.915 -4.321
35 HA ASP 6 HA ASP 6 -8.146 -5.903 -5.577
36 HB2 ASP 6 1HB ASP 6 -6.440 -7.829 -4.549
37 HB3 ASP 6 2HB ASP 6 -7.878 -7.971 -3.530
38 HD2 ASP 6 HD ASP 6 -9.330 -9.838 -5.990
39 H GLN 7 H GLN 7 -7.243 -4.991 -2.390
40 HA GLN 7 HA GLN 7 -9.858 -5.321 -1.232
41 HB2 GLN 7 1HB GLN 7 -7.260 -4.125 -0.315
42 HB3 GLN 7 2HB GLN 7 -8.750 -3.836 0.599
43 HG2 GLN 7 1HG GLN 7 -7.403 -5.713 1.479
44 HG3 GLN 7 2HG GLN 7 -9.042 -6.174 1.000
45 HE21 GLN 7 1HE2 GLN 7 -5.725 -6.733 0.572
46 HE22 GLN 7 2HE2 GLN 7 -5.840 -7.911 -0.686
47 H ALA 8 H ALA 8 -8.691 -3.222 -3.455
48 HA ALA 8 HA ALA 8 -10.696 -1.204 -2.737
49 HB1 ALA 8 1HB ALA 8 -7.982 -0.432 -3.781
50 HB2 ALA 8 2HB ALA 8 -9.250 0.624 -3.155
51 HB3 ALA 8 3HB ALA 8 -8.383 -0.457 -2.063
52 H ARG 9 H ARG 9 -10.771 -3.375 -4.635
53 HA ARG 9 HA ARG 9 -11.409 -3.800 -6.776
54 HB2 ARG 9 1HB ARG 9 -12.909 -1.803 -6.133
55 HB3 ARG 9 2HB ARG 9 -11.825 -0.846 -7.154
56 HG2 ARG 9 1HG ARG 9 -12.703 -1.629 -9.057
57 HG3 ARG 9 2HG ARG 9 -12.805 -3.284 -8.432
58 HD2 ARG 9 1HD ARG 9 -14.958 -3.056 -7.832
59 HD3 ARG 9 2HD ARG 9 -14.669 -1.455 -7.135
60 HE ARG 9 HE ARG 9 -14.654 -1.418 -9.995
61 HH11 ARG 9 1HH1 ARG 9 -16.703 -1.399 -7.180
62 HH12 ARG 9 2HH1 ARG 9 -18.017 -0.604 -7.981
63 HH21 ARG 9 1HH2 ARG 9 -16.377 -0.371 -11.061
64 HH22 ARG 9 2HH2 ARG 9 -17.831 -0.021 -10.189
65 H GLY 10 H GLY 10 -8.611 -3.183 -6.193
66 HA2 GLY 10 2HA GLY 10 -6.707 -3.229 -7.517
67 HA3 GLY 10 3HA GLY 10 -7.714 -2.912 -8.922
68 H ALA 11 H ALA 11 -7.979 -0.835 -6.169
69 HA ALA 11 HA ALA 11 -7.166 1.433 -7.732
70 HB1 ALA 11 1HB ALA 11 -9.022 1.502 -6.083
71 HB2 ALA 11 2HB ALA 11 -7.829 1.338 -4.794
72 HB3 ALA 11 3HB ALA 11 -7.809 2.759 -5.838
73 H LYS 12 H LYS 12 -5.335 2.645 -7.569
74 HA LYS 12 HA LYS 12 -3.133 1.450 -6.045
75 HB2 LYS 12 1HB LYS 12 -3.111 3.465 -8.306
76 HB3 LYS 12 2HB LYS 12 -1.671 2.813 -7.509
77 HG2 LYS 12 1HG LYS 12 -1.981 0.674 -8.403
78 HG3 LYS 12 2HG LYS 12 -3.667 1.011 -8.830
79 HD2 LYS 12 1HD LYS 12 -1.686 2.804 -10.078
80 HD3 LYS 12 2HD LYS 12 -1.596 1.107 -10.580
81 HE2 LYS 12 1HE LYS 12 -4.225 1.387 -10.789
82 HE3 LYS 12 2HE LYS 12 -3.783 3.090 -10.965
83 HZ1 LYS 12 3HZ LYS 12 -3.871 2.116 -13.119
84 HZ2 LYS 12 1HZ LYS 12 -2.869 0.832 -12.659
85 HZ3 LYS 12 2HZ LYS 12 -2.241 2.398 -12.763
86 H CYS 13 H CYS 13 -1.577 2.906 -5.004
87 HA CYS 13 HA CYS 13 -2.964 5.181 -3.761
88 HB2 CYS 13 1HB CYS 13 -0.810 3.312 -2.831
89 HB3 CYS 13 2HB CYS 13 -0.999 4.899 -2.068
90 HA PRO 14 HA PRO 14 -0.197 8.134 -5.456
91 HB2 PRO 14 1HB PRO 14 0.113 9.892 -3.376
92 HB3 PRO 14 2HB PRO 14 -1.374 9.742 -4.312
93 HG2 PRO 14 1HG PRO 14 -0.660 8.517 -1.668
94 HG3 PRO 14 2HG PRO 14 -2.184 9.339 -2.170
95 HD2 PRO 14 1HD PRO 14 -1.949 6.637 -2.046
96 HD3 PRO 14 2HD PRO 14 -2.961 7.456 -3.248
97 H ASN 15 H ASN 15 1.855 9.502 -4.701
98 HA ASN 15 HA ASN 15 3.889 7.550 -4.138
99 HB2 ASN 15 1HB ASN 15 4.007 10.528 -4.670
100 HB3 ASN 15 2HB ASN 15 5.437 9.519 -4.416
101 HD21 ASN 15 1HD2 ASN 15 5.098 7.327 -5.794
102 HD22 ASN 15 2HD2 ASN 15 4.840 7.641 -7.473
103 H CYS 16 H CYS 16 5.717 8.237 -2.596
104 HA CYS 16 HA CYS 16 6.447 8.615 -0.475
105 HB2 CYS 16 1HB CYS 16 5.427 10.899 -1.019
106 HB3 CYS 16 2HB CYS 16 4.050 10.384 -0.029
107 H LEU 17 H LEU 17 4.033 6.775 -1.238
108 HA LEU 17 HA LEU 17 3.473 5.994 1.537
109 HB2 LEU 17 1HB LEU 17 1.566 7.245 0.332
110 HB3 LEU 17 2HB LEU 17 1.400 5.755 -0.616
111 HG LEU 17 HG LEU 17 1.051 4.534 1.562
112 HD11 LEU 17 1HD1 LEU 17 0.450 5.794 3.515
113 HD12 LEU 17 2HD1 LEU 17 0.664 7.317 2.651
114 HD13 LEU 17 3HD1 LEU 17 2.060 6.292 2.990
115 HD21 LEU 17 3HD2 LEU 17 -0.904 6.675 0.736
116 HD22 LEU 17 1HD2 LEU 17 -1.290 5.321 1.798
117 HD23 LEU 17 2HD2 LEU 17 -0.814 5.022 0.126
118 H CYS 18 H CYS 18 2.812 3.733 1.765
119 HA CYS 18 HA CYS 18 3.874 2.044 -0.405
120 HB2 CYS 18 1HB CYS 18 4.054 1.545 2.573
121 HB3 CYS 18 2HB CYS 18 4.693 0.488 1.303
122 H CYS 19 H CYS 19 2.662 0.352 -1.053
123 HA CYS 19 HA CYS 19 0.051 0.017 0.245
124 HB2 CYS 19 1HB CYS 19 0.103 0.613 -2.161
125 HB3 CYS 19 2HB CYS 19 0.944 -0.911 -2.492
126 H GLY 20 H GLY 20 0.041 -1.559 1.716
127 HA2 GLY 20 2HA GLY 20 1.872 -3.718 1.764
128 HA3 GLY 20 3HA GLY 20 0.413 -3.583 2.735
129 H LYS 21 H LYS 21 1.760 -5.779 1.061
130 HA LYS 21 HA LYS 21 0.354 -6.517 -1.154
131 HB2 LYS 21 1HB LYS 21 2.246 -7.783 -0.175
132 HB3 LYS 21 2HB LYS 21 1.158 -8.380 1.088
133 HG2 LYS 21 1HG LYS 21 -0.216 -9.494 -0.608
134 HG3 LYS 21 2HG LYS 21 0.890 -8.911 -1.865
135 HD2 LYS 21 1HD LYS 21 2.749 -10.123 -0.721
136 HD3 LYS 21 2HD LYS 21 1.549 -10.801 0.393
137 HE2 LYS 21 1HE LYS 21 0.766 -12.277 -1.127
138 HE3 LYS 21 2HE LYS 21 0.885 -11.108 -2.450
139 HZ1 LYS 21 3HZ LYS 21 2.457 -12.711 -2.973
140 HZ2 LYS 21 1HZ LYS 21 2.983 -12.883 -1.374
141 HZ3 LYS 21 2HZ LYS 21 3.390 -11.497 -2.253
142 H TYR 22 H TYR 22 -0.745 -6.551 2.157
143 HA TYR 22 HA TYR 22 -3.137 -8.060 1.558
144 HB2 TYR 22 1HB TYR 22 -2.562 -6.479 4.069
145 HB3 TYR 22 2HB TYR 22 -3.673 -7.836 3.876
146 HD1 TYR 22 2HD TYR 22 -2.323 -9.980 2.724
147 HD2 TYR 22 1HD TYR 22 -0.707 -7.034 5.333
148 HE1 TYR 22 2HE TYR 22 -0.564 -11.558 3.406
149 HE2 TYR 22 1HE TYR 22 1.059 -8.602 6.021
150 HH TYR 22 HH TYR 22 1.632 -10.841 6.027
151 H GLY 23 H GLY 23 -2.842 -5.742 -0.039
152 HA2 GLY 23 2HA GLY 23 -3.948 -3.833 -0.697
153 HA3 GLY 23 3HA GLY 23 -5.360 -4.674 -0.073
154 H PHE 24 H PHE 24 -2.558 -3.385 1.677
155 HA PHE 24 HA PHE 24 -4.354 -1.464 2.997
156 HB2 PHE 24 1HB PHE 24 -3.810 -3.569 4.364
157 HB3 PHE 24 2HB PHE 24 -2.171 -2.923 4.475
158 HD1 PHE 24 2HD PHE 24 -5.694 -2.237 5.340
159 HD2 PHE 24 1HD PHE 24 -1.617 -1.192 5.974
160 HE1 PHE 24 2HE PHE 24 -6.353 -0.845 7.258
161 HE2 PHE 24 1HE PHE 24 -2.270 0.202 7.893
162 HZ PHE 24 HZ PHE 24 -4.640 0.377 8.536
163 H CYS 25 H CYS 25 -3.648 0.433 2.228
164 HA CYS 25 HA CYS 25 -0.813 0.906 1.813
165 HB2 CYS 25 1HB CYS 25 -3.333 2.410 1.195
166 HB3 CYS 25 2HB CYS 25 -1.767 3.237 1.132
167 H GLY 26 H GLY 26 0.482 1.787 3.281
168 HA2 GLY 26 2HA GLY 26 -0.594 3.729 5.184
169 HA3 GLY 26 3HA GLY 26 0.127 2.273 5.852
170 H SER 27 H SER 27 1.644 3.683 6.914
171 HA SER 27 HA SER 27 3.867 4.413 5.137
172 HB2 SER 27 1HB SER 27 2.508 6.434 5.874
173 HB3 SER 27 2HB SER 27 3.063 6.086 7.520
174 HG SER 27 HG SER 27 4.688 6.679 5.269
175 H GLY 28 H GLY 28 5.763 5.160 6.846
176 HA2 GLY 28 2HA GLY 28 7.237 4.473 8.481
177 HA3 GLY 28 3HA GLY 28 5.926 3.548 9.200
178 H ASP 29 H ASP 29 8.600 2.661 9.030
179 HA ASP 29 HA ASP 29 9.080 0.954 6.844
180 HB2 ASP 29 1HB ASP 29 10.211 1.364 9.543
181 HB3 ASP 29 2HB ASP 29 10.440 -0.254 8.868
182 HD2 ASP 29 HD ASP 29 12.974 0.863 6.879
183 H ALA 30 H ALA 30 6.914 0.701 9.459
184 HA ALA 30 HA ALA 30 6.781 -2.069 9.845
185 HB1 ALA 30 1HB ALA 30 5.549 -1.082 11.452
186 HB2 ALA 30 2HB ALA 30 5.034 0.236 10.399
187 HB3 ALA 30 3HB ALA 30 4.232 -1.332 10.306
188 H TYR 31 H TYR 31 5.418 -0.007 7.364
189 HA TYR 31 HA TYR 31 4.265 -2.396 6.080
190 HB2 TYR 31 1HB TYR 31 3.340 0.483 5.915
191 HB3 TYR 31 2HB TYR 31 2.669 -0.844 4.965
192 HD1 TYR 31 1HD TYR 31 1.632 -2.822 6.231
193 HD2 TYR 31 2HD TYR 31 2.463 0.934 8.048
194 HE1 TYR 31 1HE TYR 31 0.041 -3.349 8.031
195 HE2 TYR 31 2HE TYR 31 0.875 0.418 9.855
196 HH TYR 31 HH TYR 31 -0.497 -1.094 10.724
197 H CYS 32 H CYS 32 6.492 0.170 5.850
198 HA CYS 32 HA CYS 32 6.687 0.050 2.949
199 HB2 CYS 32 1HB CYS 32 7.965 1.709 5.096
200 HB3 CYS 32 2HB CYS 32 8.668 1.666 3.471
201 H GLY 33 H GLY 33 8.208 -1.285 5.752
202 HA2 GLY 33 2HA GLY 33 10.747 -1.895 4.755
203 HA3 GLY 33 3HA GLY 33 9.907 -2.806 6.000
204 H ALA 34 H ALA 34 11.589 -4.040 4.179
205 HA ALA 34 HA ALA 34 10.050 -5.160 2.018
206 HB1 ALA 34 1HB ALA 34 12.810 -5.646 3.085
207 HB2 ALA 34 2HB ALA 34 12.104 -6.687 1.850
208 HB3 ALA 34 3HB ALA 34 12.325 -4.966 1.532
209 H GLY 35 H GLY 35 8.499 -6.602 2.393
210 HA2 GLY 35 2HA GLY 35 8.727 -9.141 3.223
211 HA3 GLY 35 3HA GLY 35 8.585 -8.291 4.756
212 H SER 36 H SER 36 6.822 -6.259 3.355
213 HA SER 36 HA SER 36 4.416 -7.874 2.932
214 HB2 SER 36 1HB SER 36 4.654 -7.095 5.376
215 HB3 SER 36 2HB SER 36 4.336 -5.468 4.746
216 HG SER 36 HG SER 36 2.327 -6.067 5.015
217 H CYS 37 H CYS 37 6.375 -5.850 1.558
218 HA CYS 37 HA CYS 37 4.479 -3.837 0.652
219 HB2 CYS 37 1HB CYS 37 6.929 -3.387 1.179
220 HB3 CYS 37 2HB CYS 37 7.303 -4.229 -0.334
221 H GLN 38 H GLN 38 3.505 -3.797 -1.300
222 HA GLN 38 HA GLN 38 4.226 -5.885 -3.243
223 HB2 GLN 38 1HB GLN 38 2.245 -6.664 -2.116
224 HB3 GLN 38 2HB GLN 38 1.449 -5.098 -2.350
225 HG2 GLN 38 1HG GLN 38 2.225 -6.020 -4.908
226 HG3 GLN 38 2HG GLN 38 1.462 -7.373 -4.061
227 HE21 GLN 38 1HE2 GLN 38 -0.592 -6.709 -2.847
228 HE22 GLN 38 2HE2 GLN 38 -1.697 -5.717 -3.731
229 H SER 39 H SER 39 2.374 -2.882 -2.776
230 HA SER 39 HA SER 39 3.244 -2.044 -5.462
231 HB2 SER 39 1HB SER 39 0.963 -2.416 -5.808
232 HB3 SER 39 2HB SER 39 0.533 -1.860 -4.181
233 HG SER 39 HG SER 39 0.099 -0.385 -6.023
234 H GLN 40 H GLN 40 3.427 0.269 -5.767
235 HA GLN 40 HA GLN 40 4.330 2.276 -5.179
236 HB2 GLN 40 1HB GLN 40 2.448 1.912 -2.835
237 HB3 GLN 40 2HB GLN 40 3.228 3.436 -3.288
238 HG2 GLN 40 1HG GLN 40 1.190 1.885 -4.879
239 HG3 GLN 40 2HG GLN 40 0.981 3.457 -4.095
240 HE21 GLN 40 1HE2 GLN 40 0.535 2.856 -6.844
241 HE22 GLN 40 2HE2 GLN 40 1.626 3.825 -7.768
242 H CYS 41 H CYS 41 6.004 0.229 -4.563
243 HA CYS 41 HA CYS 41 6.885 0.402 -1.825
244 HB2 CYS 41 1HB CYS 41 7.950 -0.981 -4.282
245 HB3 CYS 41 2HB CYS 41 8.825 -0.998 -2.739
246 H ARG 42 H ARG 42 7.020 2.863 -2.185
247 HA ARG 42 HA ARG 42 9.786 3.558 -2.273
248 HB2 ARG 42 1HB ARG 42 9.068 3.448 -4.725
249 HB3 ARG 42 2HB ARG 42 8.087 4.880 -4.380
250 HG2 ARG 42 1HG ARG 42 10.494 5.654 -3.380
251 HG3 ARG 42 2HG ARG 42 10.983 4.625 -4.737
252 HD2 ARG 42 1HD ARG 42 9.309 5.939 -6.149
253 HD3 ARG 42 2HD ARG 42 9.250 7.079 -4.797
254 HE ARG 42 HE ARG 42 11.924 6.749 -5.390
255 HH11 ARG 42 1HH1 ARG 42 9.069 7.862 -7.043
256 HH12 ARG 42 2HH1 ARG 42 9.932 8.959 -8.068
257 HH21 ARG 42 1HH2 ARG 42 13.071 8.191 -6.733
258 HH22 ARG 42 2HH2 ARG 42 12.209 9.145 -7.892
259 H GLY 43 H GLY 43 7.335 3.759 -0.591
260 HA2 GLY 43 2HA GLY 43 6.545 6.492 -0.468
261 HA3 GLY 43 3HA GLY 43 6.267 5.275 0.770
262 H CYS 44 H CYS 44 6.740 7.592 1.813
263 HA CYS 44 HA CYS 44 9.605 7.949 2.252
264 HB2 CYS 44 1HB CYS 44 7.349 9.566 3.433
265 HB3 CYS 44 2HB CYS 44 9.050 10.034 3.282
Start of MODEL 13
1 H1 ALA 1 H ALA 1 -2.960 5.672 6.656
2 HA ALA 1 HA ALA 1 -4.228 3.786 6.800
3 HB1 ALA 1 1HB ALA 1 -6.487 4.164 8.015
4 HB2 ALA 1 2HB ALA 1 -4.980 4.440 8.888
5 HB3 ALA 1 3HB ALA 1 -5.890 5.808 8.247
6 H GLN 2 H GLN 2 -4.390 3.697 4.477
7 HA GLN 2 HA GLN 2 -7.163 3.995 3.574
8 HB2 GLN 2 1HB GLN 2 -6.229 4.703 1.313
9 HB3 GLN 2 2HB GLN 2 -6.184 5.909 2.608
10 HG2 GLN 2 1HG GLN 2 -3.756 4.365 2.612
11 HG3 GLN 2 2HG GLN 2 -4.063 5.045 1.008
12 HE21 GLN 2 1HE2 GLN 2 -3.359 5.741 4.324
13 HE22 GLN 2 2HE2 GLN 2 -3.010 7.421 4.115
14 H ARG 3 H ARG 3 -7.837 2.497 2.029
15 HA ARG 3 HA ARG 3 -6.138 0.121 1.858
16 HB2 ARG 3 1HB ARG 3 -9.070 0.470 1.187
17 HB3 ARG 3 2HB ARG 3 -8.183 -1.062 1.211
18 HG2 ARG 3 1HG ARG 3 -8.206 0.594 3.690
19 HG3 ARG 3 2HG ARG 3 -9.667 -0.304 3.245
20 HD2 ARG 3 1HD ARG 3 -7.120 -1.809 3.092
21 HD3 ARG 3 2HD ARG 3 -7.670 -1.349 4.710
22 HE ARG 3 HE ARG 3 -8.775 -3.376 3.057
23 HH11 ARG 3 1HH1 ARG 3 -9.625 -0.946 5.400
24 HH12 ARG 3 2HH1 ARG 3 -11.039 -1.783 5.949
25 HH21 ARG 3 1HH2 ARG 3 -10.634 -4.489 3.771
26 HH22 ARG 3 2HH2 ARG 3 -11.612 -3.800 5.022
27 H CYS 4 H CYS 4 -5.575 -0.847 -0.069
28 HA CYS 4 HA CYS 4 -6.377 0.459 -2.562
29 HB2 CYS 4 1HB CYS 4 -3.943 0.303 -3.311
30 HB3 CYS 4 2HB CYS 4 -4.354 1.604 -2.179
31 H GLY 5 H GLY 5 -4.947 -0.864 -4.387
32 HA2 GLY 5 2HA GLY 5 -4.752 -2.857 -5.512
33 HA3 GLY 5 3HA GLY 5 -4.556 -3.622 -3.942
34 H ASP 6 H ASP 6 -5.784 -5.421 -4.483
35 HA ASP 6 HA ASP 6 -8.310 -5.391 -5.676
36 HB2 ASP 6 1HB ASP 6 -7.141 -7.462 -5.553
37 HB3 ASP 6 2HB ASP 6 -7.006 -7.355 -3.793
38 HD2 ASP 6 HD ASP 6 -10.220 -8.963 -5.324
39 H GLN 7 H GLN 7 -7.333 -4.520 -2.505
40 HA GLN 7 HA GLN 7 -9.922 -4.892 -1.290
41 HB2 GLN 7 1HB GLN 7 -7.357 -3.596 -0.370
42 HB3 GLN 7 2HB GLN 7 -8.836 -3.572 0.603
43 HG2 GLN 7 1HG GLN 7 -7.826 -6.190 -0.406
44 HG3 GLN 7 2HG GLN 7 -7.009 -5.416 0.959
45 HE21 GLN 7 1HE2 GLN 7 -7.863 -7.574 1.822
46 HE22 GLN 7 2HE2 GLN 7 -9.399 -7.511 2.609
47 H ALA 8 H ALA 8 -8.837 -2.760 -3.505
48 HA ALA 8 HA ALA 8 -10.816 -0.759 -2.694
49 HB1 ALA 8 1HB ALA 8 -8.059 -0.015 -3.662
50 HB2 ALA 8 2HB ALA 8 -9.350 1.087 -3.183
51 HB3 ALA 8 3HB ALA 8 -8.587 0.049 -1.979
52 H ARG 9 H ARG 9 -10.921 -2.864 -4.651
53 HA ARG 9 HA ARG 9 -11.572 -3.227 -6.799
54 HB2 ARG 9 1HB ARG 9 -13.071 -1.259 -6.090
55 HB3 ARG 9 2HB ARG 9 -11.989 -0.261 -7.074
56 HG2 ARG 9 1HG ARG 9 -12.827 -1.008 -9.020
57 HG3 ARG 9 2HG ARG 9 -13.009 -2.663 -8.415
58 HD2 ARG 9 1HD ARG 9 -14.921 -1.569 -6.951
59 HD3 ARG 9 2HD ARG 9 -14.894 -0.365 -8.247
60 HE ARG 9 HE ARG 9 -15.869 -1.892 -9.645
61 HH11 ARG 9 1HH1 ARG 9 -14.603 -3.545 -6.855
62 HH12 ARG 9 2HH1 ARG 9 -15.328 -5.064 -7.264
63 HH21 ARG 9 1HH2 ARG 9 -16.829 -3.887 -10.194
64 HH22 ARG 9 2HH2 ARG 9 -16.593 -5.258 -9.163
65 H GLY 10 H GLY 10 -8.770 -2.638 -6.226
66 HA2 GLY 10 2HA GLY 10 -6.878 -2.650 -7.569
67 HA3 GLY 10 3HA GLY 10 -7.897 -2.283 -8.953
68 H ALA 11 H ALA 11 -8.115 -0.299 -6.125
69 HA ALA 11 HA ALA 11 -7.289 2.010 -7.629
70 HB1 ALA 11 1HB ALA 11 -7.953 3.293 -5.717
71 HB2 ALA 11 2HB ALA 11 -9.164 2.041 -5.995
72 HB3 ALA 11 3HB ALA 11 -7.981 1.850 -4.702
73 H LYS 12 H LYS 12 -5.375 3.024 -7.592
74 HA LYS 12 HA LYS 12 -3.238 1.840 -5.994
75 HB2 LYS 12 1HB LYS 12 -3.065 3.935 -8.173
76 HB3 LYS 12 2HB LYS 12 -1.715 3.042 -7.455
77 HG2 LYS 12 1HG LYS 12 -3.937 1.882 -9.138
78 HG3 LYS 12 2HG LYS 12 -2.252 2.133 -9.626
79 HD2 LYS 12 1HD LYS 12 -1.815 0.657 -7.438
80 HD3 LYS 12 2HD LYS 12 -3.428 0.058 -7.863
81 HE2 LYS 12 1HE LYS 12 -2.367 -0.097 -10.284
82 HE3 LYS 12 2HE LYS 12 -0.862 -0.170 -9.356
83 HZ1 LYS 12 3HZ LYS 12 -2.765 -1.909 -8.209
84 HZ2 LYS 12 1HZ LYS 12 -1.257 -2.281 -8.880
85 HZ3 LYS 12 2HZ LYS 12 -2.634 -2.242 -9.863
86 H CYS 13 H CYS 13 -1.644 3.278 -4.963
87 HA CYS 13 HA CYS 13 -2.997 5.563 -3.702
88 HB2 CYS 13 1HB CYS 13 -0.863 3.664 -2.790
89 HB3 CYS 13 2HB CYS 13 -1.029 5.250 -2.018
90 HA PRO 14 HA PRO 14 -0.203 8.490 -5.398
91 HB2 PRO 14 1HB PRO 14 0.135 10.235 -3.314
92 HB3 PRO 14 2HB PRO 14 -1.358 10.107 -4.244
93 HG2 PRO 14 1HG PRO 14 -0.648 8.865 -1.608
94 HG3 PRO 14 2HG PRO 14 -2.165 9.707 -2.101
95 HD2 PRO 14 1HD PRO 14 -1.960 7.001 -1.987
96 HD3 PRO 14 2HD PRO 14 -2.967 7.836 -3.183
97 H ASN 15 H ASN 15 1.863 9.839 -4.631
98 HA ASN 15 HA ASN 15 3.882 7.863 -4.100
99 HB2 ASN 15 1HB ASN 15 4.339 10.841 -4.274
100 HB3 ASN 15 2HB ASN 15 5.460 9.533 -4.670
101 HD21 ASN 15 1HD2 ASN 15 5.592 8.854 -6.700
102 HD22 ASN 15 2HD2 ASN 15 4.517 9.304 -7.976
103 H CYS 16 H CYS 16 5.720 8.512 -2.550
104 HA CYS 16 HA CYS 16 6.457 8.854 -0.425
105 HB2 CYS 16 1HB CYS 16 5.441 11.150 -0.922
106 HB3 CYS 16 2HB CYS 16 4.061 10.617 0.055
107 H LEU 17 H LEU 17 4.025 7.041 -1.219
108 HA LEU 17 HA LEU 17 3.493 6.191 1.541
109 HB2 LEU 17 1HB LEU 17 1.582 7.497 0.404
110 HB3 LEU 17 2HB LEU 17 1.382 6.039 -0.583
111 HG LEU 17 HG LEU 17 1.056 4.760 1.566
112 HD11 LEU 17 1HD1 LEU 17 0.780 7.531 2.718
113 HD12 LEU 17 2HD1 LEU 17 2.093 6.406 3.058
114 HD13 LEU 17 3HD1 LEU 17 0.447 6.013 3.550
115 HD21 LEU 17 3HD2 LEU 17 -0.789 5.463 0.078
116 HD22 LEU 17 1HD2 LEU 17 -0.937 6.954 1.010
117 HD23 LEU 17 2HD2 LEU 17 -1.261 5.398 1.776
118 H CYS 18 H CYS 18 2.808 3.932 1.713
119 HA CYS 18 HA CYS 18 3.817 2.296 -0.522
120 HB2 CYS 18 1HB CYS 18 4.041 1.720 2.438
121 HB3 CYS 18 2HB CYS 18 4.632 0.675 1.135
122 H CYS 19 H CYS 19 2.575 0.638 -1.201
123 HA CYS 19 HA CYS 19 -0.017 0.290 0.131
124 HB2 CYS 19 1HB CYS 19 0.004 0.973 -2.254
125 HB3 CYS 19 2HB CYS 19 0.810 -0.554 -2.654
126 H GLY 20 H GLY 20 -0.002 -1.332 1.553
127 HA2 GLY 20 2HA GLY 20 1.799 -3.514 1.481
128 HA3 GLY 20 3HA GLY 20 0.364 -3.398 2.489
129 H LYS 21 H LYS 21 1.646 -5.546 0.707
130 HA LYS 21 HA LYS 21 0.183 -6.190 -1.500
131 HB2 LYS 21 1HB LYS 21 2.094 -7.491 -0.502
132 HB3 LYS 21 2HB LYS 21 0.930 -8.201 0.627
133 HG2 LYS 21 1HG LYS 21 -0.353 -8.790 -1.614
134 HG3 LYS 21 2HG LYS 21 1.286 -8.680 -2.278
135 HD2 LYS 21 1HD LYS 21 1.404 -10.160 0.163
136 HD3 LYS 21 2HD LYS 21 0.106 -10.825 -0.845
137 HE2 LYS 21 1HE LYS 21 1.935 -12.028 -1.598
138 HE3 LYS 21 2HE LYS 21 1.872 -10.689 -2.752
139 HZ1 LYS 21 3HZ LYS 21 4.090 -10.786 -2.132
140 HZ2 LYS 21 1HZ LYS 21 3.742 -11.087 -0.504
141 HZ3 LYS 21 2HZ LYS 21 3.486 -9.545 -1.152
142 H TYR 22 H TYR 22 -0.844 -6.328 1.833
143 HA TYR 22 HA TYR 22 -3.264 -7.789 1.236
144 HB2 TYR 22 1HB TYR 22 -2.395 -6.357 3.761
145 HB3 TYR 22 2HB TYR 22 -3.799 -7.418 3.619
146 HD1 TYR 22 1HD TYR 22 -3.505 -9.850 3.242
147 HD2 TYR 22 2HD TYR 22 -0.194 -7.290 3.999
148 HE1 TYR 22 1HE TYR 22 -2.121 -11.811 3.783
149 HE2 TYR 22 2HE TYR 22 1.200 -9.242 4.541
150 HH TYR 22 HH TYR 22 0.170 -12.062 5.372
151 H GLY 23 H GLY 23 -2.979 -5.423 -0.289
152 HA2 GLY 23 2HA GLY 23 -4.077 -3.482 -0.860
153 HA3 GLY 23 3HA GLY 23 -5.485 -4.328 -0.235
154 H PHE 24 H PHE 24 -2.634 -3.134 1.504
155 HA PHE 24 HA PHE 24 -4.382 -1.238 2.923
156 HB2 PHE 24 1HB PHE 24 -3.849 -3.380 4.218
157 HB3 PHE 24 2HB PHE 24 -2.187 -2.791 4.289
158 HD1 PHE 24 1HD PHE 24 -1.872 -0.364 5.201
159 HD2 PHE 24 2HD PHE 24 -5.303 -2.779 5.915
160 HE1 PHE 24 1HE PHE 24 -2.410 0.992 7.183
161 HE2 PHE 24 2HE PHE 24 -5.847 -1.426 7.897
162 HZ PHE 24 HZ PHE 24 -4.400 0.463 8.533
163 H CYS 25 H CYS 25 -3.675 0.676 2.203
164 HA CYS 25 HA CYS 25 -0.843 1.138 1.744
165 HB2 CYS 25 1HB CYS 25 -3.363 2.679 1.222
166 HB3 CYS 25 2HB CYS 25 -1.792 3.499 1.158
167 H GLY 26 H GLY 26 0.486 1.965 3.213
168 HA2 GLY 26 2HA GLY 26 -0.538 3.850 5.198
169 HA3 GLY 26 3HA GLY 26 0.191 2.370 5.804
170 H SER 27 H SER 27 1.731 3.752 6.878
171 HA SER 27 HA SER 27 3.926 4.514 5.079
172 HB2 SER 27 1HB SER 27 2.588 6.523 5.880
173 HB3 SER 27 2HB SER 27 3.168 6.141 7.510
174 HG SER 27 HG SER 27 4.406 7.631 5.865
175 H GLY 28 H GLY 28 5.853 5.219 6.773
176 HA2 GLY 28 2HA GLY 28 7.352 4.490 8.365
177 HA3 GLY 28 3HA GLY 28 6.050 3.560 9.091
178 H ASP 29 H ASP 29 8.707 2.653 8.864
179 HA ASP 29 HA ASP 29 9.141 0.987 6.636
180 HB2 ASP 29 1HB ASP 29 10.404 1.515 9.187
181 HB3 ASP 29 2HB ASP 29 10.417 -0.218 8.828
182 HD2 ASP 29 HD ASP 29 12.322 0.421 5.865
183 H ALA 30 H ALA 30 7.003 0.703 9.267
184 HA ALA 30 HA ALA 30 6.854 -2.076 9.601
185 HB1 ALA 30 1HB ALA 30 5.292 0.239 10.372
186 HB2 ALA 30 2HB ALA 30 4.274 -1.157 10.013
187 HB3 ALA 30 3HB ALA 30 5.551 -1.284 11.223
188 H TYR 31 H TYR 31 5.473 0.053 7.188
189 HA TYR 31 HA TYR 31 4.269 -2.296 5.875
190 HB2 TYR 31 1HB TYR 31 3.383 0.600 5.753
191 HB3 TYR 31 2HB TYR 31 2.666 -0.720 4.826
192 HD1 TYR 31 2HD TYR 31 3.280 0.399 8.321
193 HD2 TYR 31 1HD TYR 31 0.929 -2.008 5.716
194 HE1 TYR 31 2HE TYR 31 1.738 -0.090 10.173
195 HE2 TYR 31 1HE TYR 31 -0.620 -2.503 7.562
196 HH TYR 31 HH TYR 31 -0.957 -2.345 9.775
197 H CYS 32 H CYS 32 6.519 0.257 5.656
198 HA CYS 32 HA CYS 32 6.673 0.178 2.751
199 HB2 CYS 32 1HB CYS 32 7.994 1.798 4.905
200 HB3 CYS 32 2HB CYS 32 8.672 1.774 3.268
201 H GLY 33 H GLY 33 8.236 -1.193 5.517
202 HA2 GLY 33 2HA GLY 33 10.751 -1.813 4.463
203 HA3 GLY 33 3HA GLY 33 9.931 -2.724 5.722
204 H ALA 34 H ALA 34 11.561 -3.977 3.881
205 HA ALA 34 HA ALA 34 9.979 -5.066 1.735
206 HB1 ALA 34 1HB ALA 34 12.762 -5.131 2.565
207 HB2 ALA 34 2HB ALA 34 12.186 -6.701 2.004
208 HB3 ALA 34 3HB ALA 34 12.056 -5.289 0.956
209 H GLY 35 H GLY 35 8.383 -6.446 2.174
210 HA2 GLY 35 2HA GLY 35 8.615 -9.007 2.998
211 HA3 GLY 35 3HA GLY 35 8.460 -8.139 4.518
212 H SER 36 H SER 36 6.712 -6.108 3.164
213 HA SER 36 HA SER 36 4.310 -7.708 2.663
214 HB2 SER 36 1HB SER 36 4.436 -7.089 5.112
215 HB3 SER 36 2HB SER 36 4.310 -5.395 4.610
216 HG SER 36 HG SER 36 2.243 -5.859 4.836
217 H CYS 37 H CYS 37 6.283 -5.641 1.375
218 HA CYS 37 HA CYS 37 4.398 -3.599 0.516
219 HB2 CYS 37 1HB CYS 37 6.828 -3.147 1.084
220 HB3 CYS 37 2HB CYS 37 7.239 -3.967 -0.432
221 H GLN 38 H GLN 38 3.405 -3.532 -1.418
222 HA GLN 38 HA GLN 38 4.120 -5.593 -3.397
223 HB2 GLN 38 1HB GLN 38 2.078 -6.331 -2.457
224 HB3 GLN 38 2HB GLN 38 1.398 -4.696 -2.468
225 HG2 GLN 38 1HG GLN 38 1.328 -4.725 -4.914
226 HG3 GLN 38 2HG GLN 38 2.003 -6.361 -4.902
227 HE21 GLN 38 1HE2 GLN 38 -0.698 -4.504 -3.553
228 HE22 GLN 38 2HE2 GLN 38 -1.866 -5.770 -3.693
229 H SER 39 H SER 39 2.360 -2.520 -2.998
230 HA SER 39 HA SER 39 3.461 -1.669 -5.594
231 HB2 SER 39 1HB SER 39 0.947 -2.277 -5.550
232 HB3 SER 39 2HB SER 39 0.752 -0.779 -4.624
233 HG SER 39 HG SER 39 0.694 -0.857 -7.135
234 H GLN 40 H GLN 40 3.728 0.631 -5.848
235 HA GLN 40 HA GLN 40 4.519 2.652 -5.168
236 HB2 GLN 40 1HB GLN 40 2.464 2.127 -3.017
237 HB3 GLN 40 2HB GLN 40 3.365 3.647 -3.135
238 HG2 GLN 40 1HG GLN 40 1.352 4.103 -4.207
239 HG3 GLN 40 2HG GLN 40 2.488 3.786 -5.525
240 HE21 GLN 40 1HE2 GLN 40 1.422 2.823 -7.096
241 HE22 GLN 40 2HE2 GLN 40 0.336 1.491 -6.920
242 H CYS 41 H CYS 41 6.167 0.560 -4.546
243 HA CYS 41 HA CYS 41 6.974 0.691 -1.782
244 HB2 CYS 41 1HB CYS 41 8.140 -0.647 -4.221
245 HB3 CYS 41 2HB CYS 41 8.907 -0.729 -2.625
246 H ARG 42 H ARG 42 7.134 3.156 -2.107
247 HA ARG 42 HA ARG 42 9.904 3.834 -2.106
248 HB2 ARG 42 1HB ARG 42 9.226 3.757 -4.583
249 HB3 ARG 42 2HB ARG 42 8.292 5.220 -4.235
250 HG2 ARG 42 1HG ARG 42 10.098 6.492 -4.420
251 HG3 ARG 42 2HG ARG 42 10.949 5.514 -3.212
252 HD2 ARG 42 1HD ARG 42 12.046 4.273 -4.771
253 HD3 ARG 42 2HD ARG 42 10.686 4.320 -5.899
254 HE ARG 42 HE ARG 42 11.806 6.889 -5.721
255 HH11 ARG 42 1HH1 ARG 42 12.552 3.713 -6.938
256 HH12 ARG 42 2HH1 ARG 42 13.583 4.298 -8.203
257 HH21 ARG 42 1HH2 ARG 42 13.161 7.670 -7.382
258 HH22 ARG 42 2HH2 ARG 42 13.929 6.548 -8.453
259 H GLY 43 H GLY 43 7.404 4.032 -0.496
260 HA2 GLY 43 2HA GLY 43 6.608 6.756 -0.363
261 HA3 GLY 43 3HA GLY 43 6.325 5.535 0.869
262 H CYS 44 H CYS 44 6.758 7.828 1.949
263 HA CYS 44 HA CYS 44 9.620 8.199 2.425
264 HB2 CYS 44 1HB CYS 44 7.360 9.839 3.561
265 HB3 CYS 44 2HB CYS 44 9.062 10.301 3.399
Start of MODEL 14
1 H1 ALA 1 H ALA 1 -4.337 6.546 6.137
2 HA ALA 1 HA ALA 1 -3.959 3.938 6.606
3 HB1 ALA 1 1HB ALA 1 -6.080 3.263 7.879
4 HB2 ALA 1 2HB ALA 1 -4.728 3.912 8.810
5 HB3 ALA 1 3HB ALA 1 -6.114 4.936 8.437
6 H GLN 2 H GLN 2 -4.366 3.574 4.502
7 HA GLN 2 HA GLN 2 -7.149 3.809 3.613
8 HB2 GLN 2 1HB GLN 2 -6.232 4.502 1.333
9 HB3 GLN 2 2HB GLN 2 -6.224 5.728 2.611
10 HG2 GLN 2 1HG GLN 2 -3.759 4.179 2.535
11 HG3 GLN 2 2HG GLN 2 -4.095 5.023 1.018
12 HE21 GLN 2 1HE2 GLN 2 -3.529 5.408 4.440
13 HE22 GLN 2 2HE2 GLN 2 -3.130 7.088 4.385
14 H ARG 3 H ARG 3 -7.806 2.281 2.091
15 HA ARG 3 HA ARG 3 -6.063 -0.064 1.938
16 HB2 ARG 3 1HB ARG 3 -9.007 0.223 1.284
17 HB3 ARG 3 2HB ARG 3 -8.091 -1.292 1.315
18 HG2 ARG 3 1HG ARG 3 -8.045 -1.404 3.590
19 HG3 ARG 3 2HG ARG 3 -8.092 0.356 3.778
20 HD2 ARG 3 1HD ARG 3 -10.183 -0.677 4.542
21 HD3 ARG 3 2HD ARG 3 -10.444 0.386 3.151
22 HE ARG 3 HE ARG 3 -10.036 -2.291 2.307
23 HH11 ARG 3 1HH1 ARG 3 -12.396 -0.180 3.753
24 HH12 ARG 3 2HH1 ARG 3 -13.754 -1.082 3.169
25 HH21 ARG 3 1HH2 ARG 3 -11.816 -3.489 1.532
26 HH22 ARG 3 2HH2 ARG 3 -13.423 -2.965 1.906
27 H CYS 4 H CYS 4 -5.494 -1.045 0.019
28 HA CYS 4 HA CYS 4 -6.337 0.214 -2.485
29 HB2 CYS 4 1HB CYS 4 -3.906 0.095 -3.246
30 HB3 CYS 4 2HB CYS 4 -4.333 1.402 -2.128
31 H GLY 5 H GLY 5 -4.893 -1.105 -4.302
32 HA2 GLY 5 2HA GLY 5 -4.669 -3.106 -5.404
33 HA3 GLY 5 3HA GLY 5 -4.445 -3.848 -3.826
34 H ASP 6 H ASP 6 -5.642 -5.677 -4.321
35 HA ASP 6 HA ASP 6 -8.175 -5.718 -5.501
36 HB2 ASP 6 1HB ASP 6 -6.419 -7.619 -4.673
37 HB3 ASP 6 2HB ASP 6 -7.665 -7.758 -3.425
38 HD2 ASP 6 HD ASP 6 -10.062 -8.693 -5.895
39 H GLN 7 H GLN 7 -7.200 -4.767 -2.353
40 HA GLN 7 HA GLN 7 -9.777 -5.164 -1.121
41 HB2 GLN 7 1HB GLN 7 -7.232 -3.804 -0.231
42 HB3 GLN 7 2HB GLN 7 -8.709 -3.796 0.746
43 HG2 GLN 7 1HG GLN 7 -7.847 -6.449 -0.196
44 HG3 GLN 7 2HG GLN 7 -6.757 -5.649 0.944
45 HE21 GLN 7 1HE2 GLN 7 -7.091 -6.426 2.895
46 HE22 GLN 7 2HE2 GLN 7 -8.628 -6.719 3.627
47 H ALA 8 H ALA 8 -8.744 -3.057 -3.379
48 HA ALA 8 HA ALA 8 -10.750 -1.073 -2.592
49 HB1 ALA 8 1HB ALA 8 -8.046 -0.262 -3.642
50 HB2 ALA 8 2HB ALA 8 -9.337 0.789 -3.060
51 HB3 ALA 8 3HB ALA 8 -8.476 -0.258 -1.931
52 H ARG 9 H ARG 9 -10.828 -3.219 -4.509
53 HA ARG 9 HA ARG 9 -11.497 -3.632 -6.643
54 HB2 ARG 9 1HB ARG 9 -13.008 -1.659 -5.963
55 HB3 ARG 9 2HB ARG 9 -11.946 -0.677 -6.984
56 HG2 ARG 9 1HG ARG 9 -13.257 -1.209 -8.696
57 HG3 ARG 9 2HG ARG 9 -12.591 -2.846 -8.581
58 HD2 ARG 9 1HD ARG 9 -14.742 -3.467 -8.304
59 HD3 ARG 9 2HD ARG 9 -14.481 -2.930 -6.639
60 HE ARG 9 HE ARG 9 -15.279 -0.718 -8.151
61 HH11 ARG 9 1HH1 ARG 9 -16.559 -3.745 -7.004
62 HH12 ARG 9 2HH1 ARG 9 -18.195 -3.177 -6.936
63 HH21 ARG 9 1HH2 ARG 9 -17.428 0.042 -8.066
64 HH22 ARG 9 2HH2 ARG 9 -18.688 -1.023 -7.541
65 H GLY 10 H GLY 10 -8.697 -3.003 -6.102
66 HA2 GLY 10 2HA GLY 10 -6.815 -3.025 -7.458
67 HA3 GLY 10 3HA GLY 10 -7.847 -2.695 -8.842
68 H ALA 11 H ALA 11 -8.093 -0.649 -6.067
69 HA ALA 11 HA ALA 11 -7.291 1.634 -7.616
70 HB1 ALA 11 1HB ALA 11 -7.952 2.946 -5.722
71 HB2 ALA 11 2HB ALA 11 -9.152 1.676 -5.964
72 HB3 ALA 11 3HB ALA 11 -7.954 1.525 -4.678
73 H LYS 12 H LYS 12 -5.432 2.779 -7.515
74 HA LYS 12 HA LYS 12 -3.248 1.612 -5.954
75 HB2 LYS 12 1HB LYS 12 -3.356 3.414 -8.365
76 HB3 LYS 12 2HB LYS 12 -1.865 3.211 -7.432
77 HG2 LYS 12 1HG LYS 12 -1.650 0.960 -8.002
78 HG3 LYS 12 2HG LYS 12 -3.348 0.839 -8.497
79 HD2 LYS 12 1HD LYS 12 -2.970 1.729 -10.558
80 HD3 LYS 12 2HD LYS 12 -1.677 2.789 -9.970
81 HE2 LYS 12 1HE LYS 12 -0.921 0.005 -9.719
82 HE3 LYS 12 2HE LYS 12 -1.388 0.397 -11.380
83 HZ1 LYS 12 3HZ LYS 12 0.964 0.776 -11.026
84 HZ2 LYS 12 1HZ LYS 12 0.634 1.857 -9.767
85 HZ3 LYS 12 2HZ LYS 12 0.181 2.239 -11.351
86 H CYS 13 H CYS 13 -1.673 3.093 -4.952
87 HA CYS 13 HA CYS 13 -3.061 5.366 -3.709
88 HB2 CYS 13 1HB CYS 13 -0.884 3.519 -2.789
89 HB3 CYS 13 2HB CYS 13 -1.076 5.111 -2.036
90 HA PRO 14 HA PRO 14 -0.336 8.324 -5.459
91 HB2 PRO 14 1HB PRO 14 -0.018 10.102 -3.400
92 HB3 PRO 14 2HB PRO 14 -1.513 9.934 -4.318
93 HG2 PRO 14 1HG PRO 14 -0.761 8.737 -1.672
94 HG3 PRO 14 2HG PRO 14 -2.298 9.544 -2.164
95 HD2 PRO 14 1HD PRO 14 -2.041 6.846 -2.018
96 HD3 PRO 14 2HD PRO 14 -3.071 7.646 -3.217
97 H ASN 15 H ASN 15 1.710 9.723 -4.723
98 HA ASN 15 HA ASN 15 3.769 7.792 -4.182
99 HB2 ASN 15 1HB ASN 15 4.051 10.792 -4.489
100 HB3 ASN 15 2HB ASN 15 5.323 9.578 -4.667
101 HD21 ASN 15 1HD2 ASN 15 4.120 7.672 -6.184
102 HD22 ASN 15 2HD2 ASN 15 3.738 8.312 -7.742
103 H CYS 16 H CYS 16 5.604 8.495 -2.653
104 HA CYS 16 HA CYS 16 6.349 8.877 -0.538
105 HB2 CYS 16 1HB CYS 16 5.288 11.146 -1.055
106 HB3 CYS 16 2HB CYS 16 3.923 10.602 -0.063
107 H LEU 17 H LEU 17 3.946 7.009 -1.291
108 HA LEU 17 HA LEU 17 3.447 6.185 1.482
109 HB2 LEU 17 1HB LEU 17 1.504 7.438 0.338
110 HB3 LEU 17 2HB LEU 17 1.328 5.963 -0.627
111 HG LEU 17 HG LEU 17 1.037 4.706 1.537
112 HD11 LEU 17 1HD1 LEU 17 0.619 7.453 2.694
113 HD12 LEU 17 2HD1 LEU 17 2.070 6.486 2.949
114 HD13 LEU 17 3HD1 LEU 17 0.509 5.905 3.531
115 HD21 LEU 17 3HD2 LEU 17 -1.303 5.474 1.839
116 HD22 LEU 17 1HD2 LEU 17 -0.863 5.206 0.152
117 HD23 LEU 17 2HD2 LEU 17 -0.950 6.848 0.790
118 H CYS 18 H CYS 18 2.805 3.915 1.685
119 HA CYS 18 HA CYS 18 3.834 2.270 -0.534
120 HB2 CYS 18 1HB CYS 18 4.085 1.738 2.432
121 HB3 CYS 18 2HB CYS 18 4.689 0.687 1.141
122 H CYS 19 H CYS 19 2.621 0.580 -1.185
123 HA CYS 19 HA CYS 19 0.044 0.198 0.168
124 HB2 CYS 19 1HB CYS 19 0.035 0.854 -2.226
125 HB3 CYS 19 2HB CYS 19 0.867 -0.662 -2.612
126 H GLY 20 H GLY 20 0.099 -1.407 1.608
127 HA2 GLY 20 2HA GLY 20 1.940 -3.555 1.548
128 HA3 GLY 20 3HA GLY 20 0.510 -3.454 2.565
129 H LYS 21 H LYS 21 1.821 -5.599 0.799
130 HA LYS 21 HA LYS 21 0.354 -6.295 -1.389
131 HB2 LYS 21 1HB LYS 21 2.286 -7.566 -0.485
132 HB3 LYS 21 2HB LYS 21 1.228 -8.213 0.780
133 HG2 LYS 21 1HG LYS 21 -0.089 -8.734 -1.642
134 HG3 LYS 21 2HG LYS 21 1.618 -9.133 -1.907
135 HD2 LYS 21 1HD LYS 21 1.327 -10.282 0.482
136 HD3 LYS 21 2HD LYS 21 -0.358 -10.366 -0.065
137 HE2 LYS 21 1HE LYS 21 0.165 -12.192 -1.233
138 HE3 LYS 21 2HE LYS 21 1.177 -11.168 -2.263
139 HZ1 LYS 21 3HZ LYS 21 2.389 -11.983 0.242
140 HZ2 LYS 21 1HZ LYS 21 3.055 -11.909 -1.312
141 HZ3 LYS 21 2HZ LYS 21 2.106 -13.234 -0.861
142 H TYR 22 H TYR 22 -0.646 -6.413 1.952
143 HA TYR 22 HA TYR 22 -3.041 -7.929 1.392
144 HB2 TYR 22 1HB TYR 22 -2.142 -6.463 3.888
145 HB3 TYR 22 2HB TYR 22 -3.570 -7.496 3.782
146 HD1 TYR 22 1HD TYR 22 -3.177 -9.953 3.012
147 HD2 TYR 22 2HD TYR 22 -0.112 -7.423 4.532
148 HE1 TYR 22 1HE TYR 22 -1.823 -11.931 3.560
149 HE2 TYR 22 2HE TYR 22 1.250 -9.395 5.083
150 HH TYR 22 HH TYR 22 -0.021 -12.605 4.936
151 H GLY 23 H GLY 23 -2.809 -5.574 -0.164
152 HA2 GLY 23 2HA GLY 23 -3.951 -3.662 -0.751
153 HA3 GLY 23 3HA GLY 23 -5.337 -4.529 -0.107
154 H PHE 24 H PHE 24 -2.500 -3.258 1.599
155 HA PHE 24 HA PHE 24 -4.274 -1.379 3.005
156 HB2 PHE 24 1HB PHE 24 -3.708 -3.483 4.331
157 HB3 PHE 24 2HB PHE 24 -2.046 -2.889 4.368
158 HD1 PHE 24 2HD PHE 24 -5.509 -1.832 5.222
159 HD2 PHE 24 1HD PHE 24 -1.352 -1.478 6.058
160 HE1 PHE 24 2HE PHE 24 -6.026 -0.448 7.190
161 HE2 PHE 24 1HE PHE 24 -1.860 -0.094 8.028
162 HZ PHE 24 HZ PHE 24 -4.201 0.423 8.597
163 H CYS 25 H CYS 25 -3.608 0.540 2.259
164 HA CYS 25 HA CYS 25 -0.789 1.050 1.776
165 HB2 CYS 25 1HB CYS 25 -3.340 2.537 1.253
166 HB3 CYS 25 2HB CYS 25 -1.787 3.385 1.168
167 H GLY 26 H GLY 26 0.534 1.921 3.225
168 HA2 GLY 26 2HA GLY 26 -0.514 3.809 5.195
169 HA3 GLY 26 3HA GLY 26 0.248 2.351 5.813
170 H SER 27 H SER 27 1.767 3.778 6.860
171 HA SER 27 HA SER 27 3.935 4.561 5.037
172 HB2 SER 27 1HB SER 27 2.564 6.553 5.823
173 HB3 SER 27 2HB SER 27 3.161 6.201 7.454
174 HG SER 27 HG SER 27 4.664 6.938 5.172
175 H GLY 28 H GLY 28 5.857 5.325 6.711
176 HA2 GLY 28 2HA GLY 28 7.383 4.644 8.299
177 HA3 GLY 28 3HA GLY 28 6.103 3.699 9.048
178 H ASP 29 H ASP 29 8.775 2.839 8.813
179 HA ASP 29 HA ASP 29 9.225 1.153 6.603
180 HB2 ASP 29 1HB ASP 29 10.384 1.485 9.321
181 HB3 ASP 29 2HB ASP 29 10.679 -0.061 8.514
182 HD2 ASP 29 HD ASP 29 12.521 1.567 5.954
183 H ALA 30 H ALA 30 7.111 0.863 9.253
184 HA ALA 30 HA ALA 30 7.017 -1.914 9.622
185 HB1 ALA 30 1HB ALA 30 5.543 0.356 10.499
186 HB2 ALA 30 2HB ALA 30 4.405 -0.879 9.959
187 HB3 ALA 30 3HB ALA 30 5.601 -1.262 11.197
188 H TYR 31 H TYR 31 5.581 0.157 7.192
189 HA TYR 31 HA TYR 31 4.414 -2.230 5.916
190 HB2 TYR 31 1HB TYR 31 3.472 0.646 5.763
191 HB3 TYR 31 2HB TYR 31 2.774 -0.698 4.858
192 HD1 TYR 31 1HD TYR 31 2.498 -2.851 6.719
193 HD2 TYR 31 2HD TYR 31 1.957 1.316 7.389
194 HE1 TYR 31 1HE TYR 31 0.976 -3.355 8.583
195 HE2 TYR 31 2HE TYR 31 0.433 0.823 9.255
196 HH TYR 31 HH TYR 31 -0.658 -0.762 10.373
197 H CYS 32 H CYS 32 6.614 0.360 5.650
198 HA CYS 32 HA CYS 32 6.752 0.249 2.746
199 HB2 CYS 32 1HB CYS 32 8.053 1.919 4.870
200 HB3 CYS 32 2HB CYS 32 8.723 1.887 3.230
201 H GLY 33 H GLY 33 8.356 -1.059 5.518
202 HA2 GLY 33 2HA GLY 33 10.876 -1.645 4.457
203 HA3 GLY 33 3HA GLY 33 10.081 -2.556 5.731
204 H ALA 34 H ALA 34 11.723 -3.801 3.894
205 HA ALA 34 HA ALA 34 10.148 -4.945 1.771
206 HB1 ALA 34 1HB ALA 34 12.867 -5.746 2.805
207 HB2 ALA 34 2HB ALA 34 12.123 -6.286 1.299
208 HB3 ALA 34 3HB ALA 34 12.558 -4.590 1.509
209 H GLY 35 H GLY 35 8.583 -6.354 2.233
210 HA2 GLY 35 2HA GLY 35 8.868 -8.898 3.086
211 HA3 GLY 35 3HA GLY 35 8.706 -8.016 4.598
212 H SER 36 H SER 36 6.912 -6.035 3.231
213 HA SER 36 HA SER 36 4.537 -7.684 2.764
214 HB2 SER 36 1HB SER 36 4.642 -7.055 5.200
215 HB3 SER 36 2HB SER 36 4.532 -5.359 4.700
216 HG SER 36 HG SER 36 2.471 -5.600 4.388
217 H CYS 37 H CYS 37 6.463 -5.597 1.440
218 HA CYS 37 HA CYS 37 4.533 -3.601 0.568
219 HB2 CYS 37 1HB CYS 37 6.957 -3.096 1.116
220 HB3 CYS 37 2HB CYS 37 7.376 -3.925 -0.392
221 H GLN 38 H GLN 38 3.527 -3.578 -1.359
222 HA GLN 38 HA GLN 38 4.271 -5.648 -3.318
223 HB2 GLN 38 1HB GLN 38 2.250 -6.414 -2.355
224 HB3 GLN 38 2HB GLN 38 1.538 -4.794 -2.384
225 HG2 GLN 38 1HG GLN 38 1.453 -4.856 -4.828
226 HG3 GLN 38 2HG GLN 38 2.162 -6.475 -4.801
227 HE21 GLN 38 1HE2 GLN 38 -0.568 -4.663 -3.451
228 HE22 GLN 38 2HE2 GLN 38 -1.709 -5.956 -3.571
229 H SER 39 H SER 39 2.454 -2.605 -2.944
230 HA SER 39 HA SER 39 3.518 -1.765 -5.557
231 HB2 SER 39 1HB SER 39 1.016 -2.420 -5.489
232 HB3 SER 39 2HB SER 39 0.800 -0.915 -4.579
233 HG SER 39 HG SER 39 1.658 -1.265 -7.238
234 H GLN 40 H GLN 40 3.742 0.537 -5.840
235 HA GLN 40 HA GLN 40 4.497 2.582 -5.189
236 HB2 GLN 40 1HB GLN 40 2.467 2.042 -3.017
237 HB3 GLN 40 2HB GLN 40 3.339 3.576 -3.158
238 HG2 GLN 40 1HG GLN 40 1.311 3.985 -4.221
239 HG3 GLN 40 2HG GLN 40 2.444 3.673 -5.543
240 HE21 GLN 40 1HE2 GLN 40 1.401 2.660 -7.097
241 HE22 GLN 40 2HE2 GLN 40 0.334 1.316 -6.899
242 H CYS 41 H CYS 41 6.191 0.529 -4.555
243 HA CYS 41 HA CYS 41 7.013 0.709 -1.798
244 HB2 CYS 41 1HB CYS 41 8.187 -0.637 -4.230
245 HB3 CYS 41 2HB CYS 41 8.968 -0.683 -2.641
246 H ARG 42 H ARG 42 7.123 3.171 -2.155
247 HA ARG 42 HA ARG 42 9.880 3.903 -2.181
248 HB2 ARG 42 1HB ARG 42 9.223 3.786 -4.649
249 HB3 ARG 42 2HB ARG 42 8.211 5.201 -4.327
250 HG2 ARG 42 1HG ARG 42 9.947 6.605 -4.338
251 HG3 ARG 42 2HG ARG 42 10.943 5.509 -3.366
252 HD2 ARG 42 1HD ARG 42 11.318 4.126 -5.423
253 HD3 ARG 42 2HD ARG 42 10.475 5.382 -6.340
254 HE ARG 42 HE ARG 42 12.654 6.410 -4.788
255 HH11 ARG 42 1HH1 ARG 42 11.775 4.873 -7.786
256 HH12 ARG 42 2HH1 ARG 42 13.156 5.469 -8.646
257 HH21 ARG 42 1HH2 ARG 42 14.476 7.199 -5.911
258 HH22 ARG 42 2HH2 ARG 42 14.692 6.791 -7.579
259 H GLY 43 H GLY 43 7.388 4.072 -0.555
260 HA2 GLY 43 2HA GLY 43 6.540 6.781 -0.449
261 HA3 GLY 43 3HA GLY 43 6.289 5.569 0.799
262 H CYS 44 H CYS 44 6.687 7.888 1.845
263 HA CYS 44 HA CYS 44 9.542 8.317 2.298
264 HB2 CYS 44 1HB CYS 44 7.259 9.927 3.431
265 HB3 CYS 44 2HB CYS 44 8.951 10.421 3.251
Start of MODEL 15
1 H1 ALA 1 H ALA 1 -3.836 6.292 7.882
2 HA ALA 1 HA ALA 1 -3.776 4.106 6.616
3 HB1 ALA 1 1HB ALA 1 -5.535 4.839 8.811
4 HB2 ALA 1 2HB ALA 1 -6.134 3.459 7.889
5 HB3 ALA 1 3HB ALA 1 -4.521 3.410 8.600
6 H GLN 2 H GLN 2 -4.275 3.600 4.588
7 HA GLN 2 HA GLN 2 -7.077 3.807 3.747
8 HB2 GLN 2 1HB GLN 2 -6.204 4.457 1.438
9 HB3 GLN 2 2HB GLN 2 -6.171 5.707 2.692
10 HG2 GLN 2 1HG GLN 2 -3.713 4.130 2.552
11 HG3 GLN 2 2HG GLN 2 -4.082 5.025 1.071
12 HE21 GLN 2 1HE2 GLN 2 -2.716 5.195 4.112
13 HE22 GLN 2 2HE2 GLN 2 -2.579 6.912 4.245
14 H ARG 3 H ARG 3 -7.757 2.246 2.270
15 HA ARG 3 HA ARG 3 -6.011 -0.097 2.130
16 HB2 ARG 3 1HB ARG 3 -8.968 0.169 1.532
17 HB3 ARG 3 2HB ARG 3 -8.047 -1.343 1.573
18 HG2 ARG 3 1HG ARG 3 -7.855 -1.340 3.873
19 HG3 ARG 3 2HG ARG 3 -8.111 0.409 3.987
20 HD2 ARG 3 1HD ARG 3 -10.093 -0.617 4.810
21 HD3 ARG 3 2HD ARG 3 -10.467 0.014 3.200
22 HE ARG 3 HE ARG 3 -9.655 -2.643 2.914
23 HH11 ARG 3 1HH1 ARG 3 -12.268 -0.817 4.314
24 HH12 ARG 3 2HH1 ARG 3 -13.435 -2.081 4.108
25 HH21 ARG 3 1HH2 ARG 3 -11.183 -4.314 2.637
26 HH22 ARG 3 2HH2 ARG 3 -12.817 -4.071 3.155
27 H CYS 4 H CYS 4 -5.476 -1.113 0.219
28 HA CYS 4 HA CYS 4 -6.374 0.091 -2.291
29 HB2 CYS 4 1HB CYS 4 -3.959 -0.036 -3.100
30 HB3 CYS 4 2HB CYS 4 -4.369 1.294 -2.002
31 H GLY 5 H GLY 5 -4.978 -1.257 -4.116
32 HA2 GLY 5 2HA GLY 5 -4.762 -3.281 -5.180
33 HA3 GLY 5 3HA GLY 5 -4.505 -3.990 -3.592
34 H ASP 6 H ASP 6 -5.704 -5.833 -4.064
35 HA ASP 6 HA ASP 6 -8.268 -5.888 -5.173
36 HB2 ASP 6 1HB ASP 6 -6.720 -7.853 -4.814
37 HB3 ASP 6 2HB ASP 6 -7.216 -7.833 -3.116
38 HD2 ASP 6 HD ASP 6 -9.922 -8.986 -5.788
39 H GLN 7 H GLN 7 -7.209 -4.929 -2.054
40 HA GLN 7 HA GLN 7 -9.746 -5.333 -0.746
41 HB2 GLN 7 1HB GLN 7 -7.184 -3.957 0.058
42 HB3 GLN 7 2HB GLN 7 -8.630 -3.942 1.079
43 HG2 GLN 7 1HG GLN 7 -7.175 -6.417 0.147
44 HG3 GLN 7 2HG GLN 7 -7.037 -5.675 1.747
45 HE21 GLN 7 1HE2 GLN 7 -8.769 -7.828 -0.203
46 HE22 GLN 7 2HE2 GLN 7 -10.044 -8.190 0.905
47 H ALA 8 H ALA 8 -8.783 -3.223 -3.040
48 HA ALA 8 HA ALA 8 -10.788 -1.255 -2.210
49 HB1 ALA 8 1HB ALA 8 -8.089 -0.456 -3.287
50 HB2 ALA 8 2HB ALA 8 -9.389 0.617 -2.769
51 HB3 ALA 8 3HB ALA 8 -8.549 -0.385 -1.585
52 H ARG 9 H ARG 9 -10.904 -3.402 -4.116
53 HA ARG 9 HA ARG 9 -11.599 -3.832 -6.239
54 HB2 ARG 9 1HB ARG 9 -13.151 -1.913 -5.520
55 HB3 ARG 9 2HB ARG 9 -12.133 -0.885 -6.541
56 HG2 ARG 9 1HG ARG 9 -12.657 -2.883 -8.277
57 HG3 ARG 9 2HG ARG 9 -14.132 -2.908 -7.294
58 HD2 ARG 9 1HD ARG 9 -14.815 -0.842 -7.989
59 HD3 ARG 9 2HD ARG 9 -13.157 -0.256 -8.187
60 HE ARG 9 HE ARG 9 -13.774 -2.250 -10.115
61 HH11 ARG 9 1HH1 ARG 9 -14.284 1.102 -9.328
62 HH12 ARG 9 2HH1 ARG 9 -14.513 1.589 -10.974
63 HH21 ARG 9 1HH2 ARG 9 -14.073 -1.621 -12.287
64 HH22 ARG 9 2HH2 ARG 9 -14.393 0.040 -12.657
65 H GLY 10 H GLY 10 -8.801 -3.118 -5.761
66 HA2 GLY 10 2HA GLY 10 -6.952 -3.086 -7.162
67 HA3 GLY 10 3HA GLY 10 -8.028 -2.795 -8.522
68 H ALA 11 H ALA 11 -8.190 -0.767 -5.710
69 HA ALA 11 HA ALA 11 -7.543 1.547 -7.295
70 HB1 ALA 11 1HB ALA 11 -9.332 1.537 -5.568
71 HB2 ALA 11 2HB ALA 11 -8.080 1.406 -4.332
72 HB3 ALA 11 3HB ALA 11 -8.153 2.834 -5.364
73 H LYS 12 H LYS 12 -5.673 2.636 -7.375
74 HA LYS 12 HA LYS 12 -3.405 1.563 -5.885
75 HB2 LYS 12 1HB LYS 12 -3.468 3.629 -8.099
76 HB3 LYS 12 2HB LYS 12 -2.022 2.855 -7.428
77 HG2 LYS 12 1HG LYS 12 -3.736 0.767 -8.236
78 HG3 LYS 12 2HG LYS 12 -3.723 1.966 -9.543
79 HD2 LYS 12 1HD LYS 12 -1.123 1.940 -9.128
80 HD3 LYS 12 2HD LYS 12 -1.476 0.350 -8.429
81 HE2 LYS 12 1HE LYS 12 -2.910 0.290 -10.778
82 HE3 LYS 12 2HE LYS 12 -1.467 1.214 -11.222
83 HZ1 LYS 12 3HZ LYS 12 -0.204 -0.674 -10.068
84 HZ2 LYS 12 1HZ LYS 12 -0.857 -0.972 -11.600
85 HZ3 LYS 12 2HZ LYS 12 -1.640 -1.555 -10.220
86 H CYS 13 H CYS 13 -1.840 3.045 -4.909
87 HA CYS 13 HA CYS 13 -3.210 5.306 -3.621
88 HB2 CYS 13 1HB CYS 13 -0.994 3.471 -2.767
89 HB3 CYS 13 2HB CYS 13 -1.179 5.059 -2.002
90 HA PRO 14 HA PRO 14 -0.553 8.289 -5.435
91 HB2 PRO 14 1HB PRO 14 -0.193 10.062 -3.380
92 HB3 PRO 14 2HB PRO 14 -1.712 9.885 -4.257
93 HG2 PRO 14 1HG PRO 14 -0.881 8.689 -1.637
94 HG3 PRO 14 2HG PRO 14 -2.436 9.485 -2.084
95 HD2 PRO 14 1HD PRO 14 -2.155 6.787 -1.954
96 HD3 PRO 14 2HD PRO 14 -3.223 7.582 -3.123
97 H ASN 15 H ASN 15 1.501 9.699 -4.749
98 HA ASN 15 HA ASN 15 3.588 7.780 -4.266
99 HB2 ASN 15 1HB ASN 15 3.921 10.774 -4.517
100 HB3 ASN 15 2HB ASN 15 5.109 9.513 -4.871
101 HD21 ASN 15 1HD2 ASN 15 4.938 8.315 -6.766
102 HD22 ASN 15 2HD2 ASN 15 3.964 8.838 -8.094
103 H CYS 16 H CYS 16 5.458 8.498 -2.787
104 HA CYS 16 HA CYS 16 6.258 8.885 -0.692
105 HB2 CYS 16 1HB CYS 16 5.167 11.147 -1.181
106 HB3 CYS 16 2HB CYS 16 3.834 10.593 -0.152
107 H LEU 17 H LEU 17 3.851 6.999 -1.382
108 HA LEU 17 HA LEU 17 3.431 6.172 1.405
109 HB2 LEU 17 1HB LEU 17 1.450 7.411 0.314
110 HB3 LEU 17 2HB LEU 17 1.258 5.935 -0.647
111 HG LEU 17 HG LEU 17 1.060 4.687 1.550
112 HD11 LEU 17 1HD1 LEU 17 0.383 6.005 3.494
113 HD12 LEU 17 2HD1 LEU 17 0.710 7.491 2.602
114 HD13 LEU 17 3HD1 LEU 17 2.031 6.390 2.994
115 HD21 LEU 17 3HD2 LEU 17 -1.016 6.749 0.818
116 HD22 LEU 17 1HD2 LEU 17 -1.298 5.348 1.853
117 HD23 LEU 17 2HD2 LEU 17 -0.868 5.119 0.158
118 H CYS 18 H CYS 18 2.833 3.899 1.635
119 HA CYS 18 HA CYS 18 3.796 2.259 -0.618
120 HB2 CYS 18 1HB CYS 18 4.156 1.722 2.336
121 HB3 CYS 18 2HB CYS 18 4.741 0.696 1.015
122 H CYS 19 H CYS 19 2.578 0.553 -1.219
123 HA CYS 19 HA CYS 19 0.048 0.162 0.214
124 HB2 CYS 19 1HB CYS 19 -0.028 0.766 -2.190
125 HB3 CYS 19 2HB CYS 19 0.816 -0.746 -2.568
126 H GLY 20 H GLY 20 0.178 -1.401 1.697
127 HA2 GLY 20 2HA GLY 20 2.032 -3.532 1.637
128 HA3 GLY 20 3HA GLY 20 0.623 -3.426 2.683
129 H LYS 21 H LYS 21 1.919 -5.597 0.942
130 HA LYS 21 HA LYS 21 0.422 -6.360 -1.202
131 HB2 LYS 21 1HB LYS 21 2.358 -7.618 -0.390
132 HB3 LYS 21 2HB LYS 21 1.422 -8.160 1.014
133 HG2 LYS 21 1HG LYS 21 0.239 -8.746 -1.631
134 HG3 LYS 21 2HG LYS 21 1.732 -9.612 -1.221
135 HD2 LYS 21 1HD LYS 21 0.777 -10.680 0.609
136 HD3 LYS 21 2HD LYS 21 -0.507 -9.468 0.760
137 HE2 LYS 21 1HE LYS 21 -1.350 -11.625 -0.105
138 HE3 LYS 21 2HE LYS 21 -1.580 -10.290 -1.246
139 HZ1 LYS 21 3HZ LYS 21 -0.193 -11.207 -2.731
140 HZ2 LYS 21 1HZ LYS 21 -0.488 -12.645 -1.889
141 HZ3 LYS 21 2HZ LYS 21 0.904 -11.742 -1.560
142 H TYR 22 H TYR 22 -0.518 -6.415 2.160
143 HA TYR 22 HA TYR 22 -2.911 -7.959 1.676
144 HB2 TYR 22 1HB TYR 22 -1.971 -6.434 4.119
145 HB3 TYR 22 2HB TYR 22 -3.404 -7.463 4.065
146 HD1 TYR 22 2HD TYR 22 -3.017 -9.939 3.309
147 HD2 TYR 22 1HD TYR 22 0.052 -7.387 4.782
148 HE1 TYR 22 2HE TYR 22 -1.660 -11.909 3.879
149 HE2 TYR 22 1HE TYR 22 1.418 -9.351 5.356
150 HH TYR 22 HH TYR 22 1.031 -12.270 4.165
151 H GLY 23 H GLY 23 -2.731 -5.645 0.059
152 HA2 GLY 23 2HA GLY 23 -3.897 -3.753 -0.550
153 HA3 GLY 23 3HA GLY 23 -5.264 -4.619 0.133
154 H PHE 24 H PHE 24 -2.415 -3.277 1.763
155 HA PHE 24 HA PHE 24 -4.187 -1.388 3.156
156 HB2 PHE 24 1HB PHE 24 -3.543 -3.488 4.495
157 HB3 PHE 24 2HB PHE 24 -1.918 -2.799 4.547
158 HD1 PHE 24 1HD PHE 24 -5.428 -2.183 5.524
159 HD2 PHE 24 2HD PHE 24 -1.350 -1.078 6.045
160 HE1 PHE 24 1HE PHE 24 -6.051 -0.809 7.467
161 HE2 PHE 24 2HE PHE 24 -1.967 0.296 7.990
162 HZ PHE 24 HZ PHE 24 -4.321 0.432 8.703
163 H CYS 25 H CYS 25 -3.549 0.527 2.383
164 HA CYS 25 HA CYS 25 -0.744 1.047 1.833
165 HB2 CYS 25 1HB CYS 25 -3.315 2.514 1.345
166 HB3 CYS 25 2HB CYS 25 -1.768 3.367 1.215
167 H GLY 26 H GLY 26 0.603 1.943 3.244
168 HA2 GLY 26 2HA GLY 26 -0.414 3.853 5.210
169 HA3 GLY 26 3HA GLY 26 0.368 2.407 5.831
170 H SER 27 H SER 27 1.903 3.850 6.827
171 HA SER 27 HA SER 27 4.025 4.626 4.950
172 HB2 SER 27 1HB SER 27 2.664 6.618 5.755
173 HB3 SER 27 2HB SER 27 3.302 6.279 7.373
174 HG SER 27 HG SER 27 4.750 7.669 6.569
175 H GLY 28 H GLY 28 5.986 5.407 6.568
176 HA2 GLY 28 2HA GLY 28 7.551 4.744 8.126
177 HA3 GLY 28 3HA GLY 28 6.293 3.801 8.912
178 H ASP 29 H ASP 29 8.962 2.948 8.619
179 HA ASP 29 HA ASP 29 9.366 1.249 6.412
180 HB2 ASP 29 1HB ASP 29 10.639 1.743 9.011
181 HB3 ASP 29 2HB ASP 29 10.795 0.072 8.452
182 HD2 ASP 29 HD ASP 29 13.059 2.749 6.811
183 H ALA 30 H ALA 30 7.308 0.971 9.104
184 HA ALA 30 HA ALA 30 7.234 -1.802 9.502
185 HB1 ALA 30 1HB ALA 30 4.641 -0.921 9.952
186 HB2 ALA 30 2HB ALA 30 5.945 -1.019 11.137
187 HB3 ALA 30 3HB ALA 30 5.649 0.491 10.275
188 H TYR 31 H TYR 31 5.738 0.240 7.083
189 HA TYR 31 HA TYR 31 4.562 -2.165 5.850
190 HB2 TYR 31 1HB TYR 31 3.596 0.704 5.700
191 HB3 TYR 31 2HB TYR 31 2.891 -0.649 4.811
192 HD1 TYR 31 1HD TYR 31 1.556 -2.344 5.935
193 HD2 TYR 31 2HD TYR 31 3.216 0.919 8.102
194 HE1 TYR 31 1HE TYR 31 0.066 -2.851 7.826
195 HE2 TYR 31 2HE TYR 31 1.733 0.421 10.000
196 HH TYR 31 HH TYR 31 0.301 -1.077 10.873
197 H CYS 32 H CYS 32 6.733 0.444 5.517
198 HA CYS 32 HA CYS 32 6.813 0.305 2.612
199 HB2 CYS 32 1HB CYS 32 8.139 2.010 4.693
200 HB3 CYS 32 2HB CYS 32 8.778 1.968 3.042
201 H GLY 33 H GLY 33 8.486 -0.959 5.366
202 HA2 GLY 33 2HA GLY 33 10.991 -1.529 4.259
203 HA3 GLY 33 3HA GLY 33 10.230 -2.436 5.558
204 H ALA 34 H ALA 34 11.848 -3.680 3.700
205 HA ALA 34 HA ALA 34 10.244 -4.864 1.622
206 HB1 ALA 34 1HB ALA 34 12.731 -6.239 2.294
207 HB2 ALA 34 2HB ALA 34 12.192 -5.548 0.762
208 HB3 ALA 34 3HB ALA 34 12.936 -4.514 1.983
209 H GLY 35 H GLY 35 8.724 -6.313 2.094
210 HA2 GLY 35 2HA GLY 35 9.031 -8.834 2.964
211 HA3 GLY 35 3HA GLY 35 8.922 -7.952 4.480
212 H SER 36 H SER 36 7.075 -5.978 3.151
213 HA SER 36 HA SER 36 4.689 -7.637 2.795
214 HB2 SER 36 1HB SER 36 4.780 -7.048 5.192
215 HB3 SER 36 2HB SER 36 4.851 -5.332 4.753
216 HG SER 36 HG SER 36 2.716 -7.146 4.356
217 H CYS 37 H CYS 37 6.562 -5.567 1.371
218 HA CYS 37 HA CYS 37 4.598 -3.586 0.542
219 HB2 CYS 37 1HB CYS 37 7.051 -3.086 0.992
220 HB3 CYS 37 2HB CYS 37 7.397 -3.918 -0.532
221 H GLN 38 H GLN 38 3.534 -3.578 -1.357
222 HA GLN 38 HA GLN 38 4.202 -5.680 -3.308
223 HB2 GLN 38 1HB GLN 38 2.195 -6.342 -2.134
224 HB3 GLN 38 2HB GLN 38 1.463 -4.757 -2.429
225 HG2 GLN 38 1HG GLN 38 2.176 -5.752 -4.957
226 HG3 GLN 38 2HG GLN 38 1.444 -7.101 -4.076
227 HE21 GLN 38 1HE2 GLN 38 -0.602 -6.465 -2.853
228 HE22 GLN 38 2HE2 GLN 38 -1.732 -5.491 -3.725
229 H SER 39 H SER 39 2.397 -2.633 -2.911
230 HA SER 39 HA SER 39 3.375 -1.823 -5.568
231 HB2 SER 39 1HB SER 39 0.882 -2.498 -5.420
232 HB3 SER 39 2HB SER 39 0.678 -0.981 -4.527
233 HG SER 39 HG SER 39 0.814 -1.313 -7.152
234 H GLN 40 H GLN 40 3.569 0.478 -5.886
235 HA GLN 40 HA GLN 40 4.323 2.537 -5.283
236 HB2 GLN 40 1HB GLN 40 2.362 2.006 -3.048
237 HB3 GLN 40 2HB GLN 40 3.215 3.547 -3.232
238 HG2 GLN 40 1HG GLN 40 1.150 3.921 -4.241
239 HG3 GLN 40 2HG GLN 40 2.252 3.609 -5.590
240 HE21 GLN 40 1HE2 GLN 40 1.168 2.577 -7.105
241 HE22 GLN 40 2HE2 GLN 40 0.125 1.220 -6.864
242 H CYS 41 H CYS 41 6.046 0.496 -4.665
243 HA CYS 41 HA CYS 41 6.946 0.718 -1.939
244 HB2 CYS 41 1HB CYS 41 8.073 -0.635 -4.388
245 HB3 CYS 41 2HB CYS 41 8.891 -0.662 -2.818
246 H ARG 42 H ARG 42 7.025 3.177 -2.309
247 HA ARG 42 HA ARG 42 9.772 3.936 -2.428
248 HB2 ARG 42 1HB ARG 42 9.013 3.795 -4.875
249 HB3 ARG 42 2HB ARG 42 8.032 5.225 -4.519
250 HG2 ARG 42 1HG ARG 42 9.800 6.453 -5.061
251 HG3 ARG 42 2HG ARG 42 10.541 5.885 -3.556
252 HD2 ARG 42 1HD ARG 42 11.421 3.902 -4.815
253 HD3 ARG 42 2HD ARG 42 10.820 4.662 -6.296
254 HE ARG 42 HE ARG 42 13.204 5.324 -4.891
255 HH11 ARG 42 1HH1 ARG 42 10.639 6.679 -6.816
256 HH12 ARG 42 2HH1 ARG 42 11.598 7.997 -7.402
257 HH21 ARG 42 1HH2 ARG 42 14.477 7.056 -5.655
258 HH22 ARG 42 2HH2 ARG 42 13.782 8.211 -6.742
259 H GLY 43 H GLY 43 7.331 4.088 -0.725
260 HA2 GLY 43 2HA GLY 43 6.466 6.794 -0.607
261 HA3 GLY 43 3HA GLY 43 6.253 5.585 0.650
262 H CYS 44 H CYS 44 6.666 7.905 1.683
263 HA CYS 44 HA CYS 44 9.529 8.351 2.061
264 HB2 CYS 44 1HB CYS 44 7.268 9.948 3.255
265 HB3 CYS 44 2HB CYS 44 8.952 10.452 3.027
Start of MODEL 16
1 H1 ALA 1 H ALA 1 -5.095 6.350 7.985
2 HA ALA 1 HA ALA 1 -3.803 4.253 6.495
3 HB1 ALA 1 1HB ALA 1 -5.730 4.431 8.703
4 HB2 ALA 1 2HB ALA 1 -5.952 3.048 7.632
5 HB3 ALA 1 3HB ALA 1 -4.403 3.299 8.438
6 H GLN 2 H GLN 2 -4.342 3.595 4.527
7 HA GLN 2 HA GLN 2 -7.127 3.837 3.646
8 HB2 GLN 2 1HB GLN 2 -6.212 4.504 1.356
9 HB3 GLN 2 2HB GLN 2 -6.191 5.742 2.624
10 HG2 GLN 2 1HG GLN 2 -3.734 4.231 2.639
11 HG3 GLN 2 2HG GLN 2 -4.059 4.907 1.037
12 HE21 GLN 2 1HE2 GLN 2 -3.600 5.675 4.420
13 HE22 GLN 2 2HE2 GLN 2 -3.184 7.336 4.184
14 H ARG 3 H ARG 3 -7.798 2.298 2.141
15 HA ARG 3 HA ARG 3 -6.068 -0.059 2.002
16 HB2 ARG 3 1HB ARG 3 -9.013 0.238 1.361
17 HB3 ARG 3 2HB ARG 3 -8.106 -1.281 1.401
18 HG2 ARG 3 1HG ARG 3 -7.565 -0.508 3.870
19 HG3 ARG 3 2HG ARG 3 -9.063 0.412 3.645
20 HD2 ARG 3 1HD ARG 3 -10.214 -1.433 4.136
21 HD3 ARG 3 2HD ARG 3 -9.597 -2.144 2.639
22 HE ARG 3 HE ARG 3 -8.150 -3.432 3.870
23 HH11 ARG 3 1HH1 ARG 3 -9.486 -0.931 5.889
24 HH12 ARG 3 2HH1 ARG 3 -8.844 -1.591 7.357
25 HH21 ARG 3 1HH2 ARG 3 -7.299 -4.310 5.796
26 HH22 ARG 3 2HH2 ARG 3 -7.599 -3.513 7.302
27 H CYS 4 H CYS 4 -5.513 -1.058 0.090
28 HA CYS 4 HA CYS 4 -6.362 0.180 -2.420
29 HB2 CYS 4 1HB CYS 4 -3.937 0.041 -3.193
30 HB3 CYS 4 2HB CYS 4 -4.352 1.362 -2.090
31 H GLY 5 H GLY 5 -4.949 -1.161 -4.238
32 HA2 GLY 5 2HA GLY 5 -4.734 -3.175 -5.320
33 HA3 GLY 5 3HA GLY 5 -4.510 -3.902 -3.736
34 H ASP 6 H ASP 6 -5.719 -5.730 -4.231
35 HA ASP 6 HA ASP 6 -8.260 -5.755 -5.392
36 HB2 ASP 6 1HB ASP 6 -6.559 -7.687 -4.725
37 HB3 ASP 6 2HB ASP 6 -7.598 -7.773 -3.296
38 HD2 ASP 6 HD ASP 6 -10.244 -9.095 -5.102
39 H GLN 7 H GLN 7 -7.256 -4.813 -2.250
40 HA GLN 7 HA GLN 7 -9.825 -5.196 -0.998
41 HB2 GLN 7 1HB GLN 7 -7.233 -3.921 -0.148
42 HB3 GLN 7 2HB GLN 7 -8.700 -3.763 0.830
43 HG2 GLN 7 1HG GLN 7 -8.593 -6.468 0.339
44 HG3 GLN 7 2HG GLN 7 -6.891 -6.021 0.530
45 HE21 GLN 7 1HE2 GLN 7 -9.740 -6.786 2.116
46 HE22 GLN 7 2HE2 GLN 7 -9.274 -6.339 3.719
47 H ALA 8 H ALA 8 -8.797 -3.092 -3.264
48 HA ALA 8 HA ALA 8 -10.789 -1.099 -2.463
49 HB1 ALA 8 1HB ALA 8 -8.473 -0.325 -1.833
50 HB2 ALA 8 2HB ALA 8 -8.112 -0.271 -3.559
51 HB3 ALA 8 3HB ALA 8 -9.381 0.755 -2.891
52 H ARG 9 H ARG 9 -10.890 -3.244 -4.379
53 HA ARG 9 HA ARG 9 -11.565 -3.656 -6.512
54 HB2 ARG 9 1HB ARG 9 -13.079 -1.690 -5.814
55 HB3 ARG 9 2HB ARG 9 -12.031 -0.704 -6.841
56 HG2 ARG 9 1HG ARG 9 -12.716 -2.935 -8.397
57 HG3 ARG 9 2HG ARG 9 -14.203 -2.420 -7.583
58 HD2 ARG 9 1HD ARG 9 -14.252 -0.379 -8.630
59 HD3 ARG 9 2HD ARG 9 -12.492 -0.319 -8.800
60 HE ARG 9 HE ARG 9 -13.165 -2.329 -10.461
61 HH11 ARG 9 1HH1 ARG 9 -14.356 0.920 -10.083
62 HH12 ARG 9 2HH1 ARG 9 -14.788 1.096 -11.752
63 HH21 ARG 9 1HH2 ARG 9 -13.729 -2.111 -12.660
64 HH22 ARG 9 2HH2 ARG 9 -14.431 -0.630 -13.216
65 H GLY 10 H GLY 10 -8.763 -3.006 -5.986
66 HA2 GLY 10 2HA GLY 10 -6.890 -3.013 -7.354
67 HA3 GLY 10 3HA GLY 10 -7.934 -2.696 -8.732
68 H ALA 11 H ALA 11 -8.144 -0.657 -5.940
69 HA ALA 11 HA ALA 11 -7.404 1.640 -7.502
70 HB1 ALA 11 1HB ALA 11 -7.996 1.506 -4.549
71 HB2 ALA 11 2HB ALA 11 -8.020 2.938 -5.579
72 HB3 ALA 11 3HB ALA 11 -9.221 1.667 -5.807
73 H LYS 12 H LYS 12 -5.557 2.809 -7.436
74 HA LYS 12 HA LYS 12 -3.318 1.650 -5.948
75 HB2 LYS 12 1HB LYS 12 -3.475 3.547 -8.294
76 HB3 LYS 12 2HB LYS 12 -1.962 3.211 -7.438
77 HG2 LYS 12 1HG LYS 12 -1.720 1.171 -8.359
78 HG3 LYS 12 2HG LYS 12 -3.461 0.839 -8.316
79 HD2 LYS 12 1HD LYS 12 -3.850 1.790 -10.363
80 HD3 LYS 12 2HD LYS 12 -2.500 2.926 -10.202
81 HE2 LYS 12 1HE LYS 12 -0.901 1.314 -10.804
82 HE3 LYS 12 2HE LYS 12 -2.021 -0.020 -10.495
83 HZ1 LYS 12 3HZ LYS 12 -3.292 1.392 -12.420
84 HZ2 LYS 12 1HZ LYS 12 -2.343 0.016 -12.687
85 HZ3 LYS 12 2HZ LYS 12 -1.670 1.557 -12.873
86 H CYS 13 H CYS 13 -1.750 3.111 -4.936
87 HA CYS 13 HA CYS 13 -3.122 5.373 -3.652
88 HB2 CYS 13 1HB CYS 13 -0.938 3.511 -2.777
89 HB3 CYS 13 2HB CYS 13 -1.121 5.093 -2.002
90 HA PRO 14 HA PRO 14 -0.408 8.346 -5.396
91 HB2 PRO 14 1HB PRO 14 -0.068 10.099 -3.318
92 HB3 PRO 14 2HB PRO 14 -1.571 9.943 -4.225
93 HG2 PRO 14 1HG PRO 14 -0.797 8.717 -1.601
94 HG3 PRO 14 2HG PRO 14 -2.337 9.530 -2.068
95 HD2 PRO 14 1HD PRO 14 -2.083 6.830 -1.955
96 HD3 PRO 14 2HD PRO 14 -3.123 7.645 -3.136
97 H ASN 15 H ASN 15 1.647 9.732 -4.662
98 HA ASN 15 HA ASN 15 3.708 7.792 -4.161
99 HB2 ASN 15 1HB ASN 15 3.958 10.795 -4.472
100 HB3 ASN 15 2HB ASN 15 5.261 9.608 -4.610
101 HD21 ASN 15 1HD2 ASN 15 5.274 8.173 -6.394
102 HD22 ASN 15 2HD2 ASN 15 4.462 8.583 -7.863
103 H CYS 16 H CYS 16 5.558 8.477 -2.643
104 HA CYS 16 HA CYS 16 6.325 8.838 -0.531
105 HB2 CYS 16 1HB CYS 16 5.262 11.115 -1.016
106 HB3 CYS 16 2HB CYS 16 3.907 10.562 -0.017
107 H LEU 17 H LEU 17 3.913 6.980 -1.281
108 HA LEU 17 HA LEU 17 3.439 6.129 1.491
109 HB2 LEU 17 1HB LEU 17 1.488 7.399 0.379
110 HB3 LEU 17 2HB LEU 17 1.298 5.934 -0.600
111 HG LEU 17 HG LEU 17 1.051 4.665 1.581
112 HD11 LEU 17 1HD1 LEU 17 2.029 6.433 3.007
113 HD12 LEU 17 2HD1 LEU 17 0.436 5.906 3.548
114 HD13 LEU 17 3HD1 LEU 17 0.613 7.434 2.687
115 HD21 LEU 17 3HD2 LEU 17 -1.300 5.301 1.831
116 HD22 LEU 17 1HD2 LEU 17 -0.838 5.171 0.133
117 HD23 LEU 17 2HD2 LEU 17 -1.005 6.759 0.882
118 H CYS 18 H CYS 18 2.817 3.860 1.686
119 HA CYS 18 HA CYS 18 3.800 2.234 -0.567
120 HB2 CYS 18 1HB CYS 18 4.108 1.661 2.386
121 HB3 CYS 18 2HB CYS 18 4.709 0.647 1.062
122 H CYS 19 H CYS 19 2.575 0.545 -1.203
123 HA CYS 19 HA CYS 19 0.021 0.163 0.186
124 HB2 CYS 19 1HB CYS 19 -0.010 0.791 -2.215
125 HB3 CYS 19 2HB CYS 19 0.823 -0.727 -2.591
126 H GLY 20 H GLY 20 0.109 -1.417 1.653
127 HA2 GLY 20 2HA GLY 20 1.946 -3.564 1.602
128 HA3 GLY 20 3HA GLY 20 0.522 -3.456 2.627
129 H LYS 21 H LYS 21 1.826 -5.621 0.885
130 HA LYS 21 HA LYS 21 0.357 -6.349 -1.290
131 HB2 LYS 21 1HB LYS 21 2.270 -7.631 -0.450
132 HB3 LYS 21 2HB LYS 21 1.297 -8.185 0.923
133 HG2 LYS 21 1HG LYS 21 0.079 -8.735 -1.683
134 HG3 LYS 21 2HG LYS 21 1.635 -9.540 -1.418
135 HD2 LYS 21 1HD LYS 21 0.476 -10.022 0.967
136 HD3 LYS 21 2HD LYS 21 -0.963 -9.941 -0.065
137 HE2 LYS 21 1HE LYS 21 -0.507 -11.901 -1.069
138 HE3 LYS 21 2HE LYS 21 1.210 -11.506 -1.230
139 HZ1 LYS 21 3HZ LYS 21 1.163 -13.312 0.211
140 HZ2 LYS 21 1HZ LYS 21 -0.176 -12.736 1.069
141 HZ3 LYS 21 2HZ LYS 21 1.330 -11.991 1.254
142 H TYR 22 H TYR 22 -0.638 -6.428 2.056
143 HA TYR 22 HA TYR 22 -3.037 -7.944 1.516
144 HB2 TYR 22 1HB TYR 22 -1.977 -6.532 3.968
145 HB3 TYR 22 2HB TYR 22 -3.563 -7.307 3.932
146 HD1 TYR 22 1HD TYR 22 0.063 -7.987 3.556
147 HD2 TYR 22 2HD TYR 22 -3.802 -9.633 4.228
148 HE1 TYR 22 1HE TYR 22 1.089 -10.152 4.115
149 HE2 TYR 22 2HE TYR 22 -2.787 -11.802 4.789
150 HH TYR 22 HH TYR 22 0.724 -12.290 4.609
151 H GLY 23 H GLY 23 -2.809 -5.616 -0.073
152 HA2 GLY 23 2HA GLY 23 -3.946 -3.706 -0.680
153 HA3 GLY 23 3HA GLY 23 -5.333 -4.565 -0.029
154 H PHE 24 H PHE 24 -2.497 -3.269 1.661
155 HA PHE 24 HA PHE 24 -4.274 -1.377 3.046
156 HB2 PHE 24 1HB PHE 24 -3.645 -3.512 4.361
157 HB3 PHE 24 2HB PHE 24 -2.035 -2.797 4.470
158 HD1 PHE 24 2HD PHE 24 -5.592 -1.857 5.079
159 HD2 PHE 24 1HD PHE 24 -1.526 -1.485 6.283
160 HE1 PHE 24 2HE PHE 24 -6.293 -0.522 7.023
161 HE2 PHE 24 1HE PHE 24 -2.221 -0.152 8.230
162 HZ PHE 24 HZ PHE 24 -4.606 0.334 8.602
163 H CYS 25 H CYS 25 -3.606 0.539 2.299
164 HA CYS 25 HA CYS 25 -0.789 1.040 1.801
165 HB2 CYS 25 1HB CYS 25 -3.339 2.534 1.284
166 HB3 CYS 25 2HB CYS 25 -1.782 3.375 1.188
167 H GLY 26 H GLY 26 0.544 1.911 3.241
168 HA2 GLY 26 2HA GLY 26 -0.488 3.811 5.209
169 HA3 GLY 26 3HA GLY 26 0.270 2.352 5.829
170 H SER 27 H SER 27 1.800 3.775 6.864
171 HA SER 27 HA SER 27 3.961 4.548 5.028
172 HB2 SER 27 1HB SER 27 2.601 6.544 5.829
173 HB3 SER 27 2HB SER 27 3.213 6.186 7.454
174 HG SER 27 HG SER 27 4.565 7.691 6.478
175 H GLY 28 H GLY 28 5.901 5.297 6.685
176 HA2 GLY 28 2HA GLY 28 7.434 4.606 8.262
177 HA3 GLY 28 3HA GLY 28 6.156 3.666 9.017
178 H ASP 29 H ASP 29 8.823 2.795 8.759
179 HA ASP 29 HA ASP 29 9.249 1.113 6.543
180 HB2 ASP 29 1HB ASP 29 10.338 0.980 9.366
181 HB3 ASP 29 2HB ASP 29 10.922 -0.020 8.028
182 HD2 ASP 29 HD ASP 29 12.848 2.522 6.774
183 H ALA 30 H ALA 30 7.146 0.827 9.199
184 HA ALA 30 HA ALA 30 7.045 -1.950 9.569
185 HB1 ALA 30 1HB ALA 30 4.674 -1.472 10.356
186 HB2 ALA 30 2HB ALA 30 5.978 -0.623 11.188
187 HB3 ALA 30 3HB ALA 30 5.009 0.219 9.979
188 H TYR 31 H TYR 31 5.602 0.128 7.149
189 HA TYR 31 HA TYR 31 4.424 -2.255 5.875
190 HB2 TYR 31 1HB TYR 31 3.486 0.622 5.737
191 HB3 TYR 31 2HB TYR 31 2.783 -0.715 4.826
192 HD1 TYR 31 1HD TYR 31 2.084 -2.806 6.351
193 HD2 TYR 31 2HD TYR 31 2.404 1.217 7.698
194 HE1 TYR 31 1HE TYR 31 0.565 -3.317 8.217
195 HE2 TYR 31 2HE TYR 31 0.886 0.717 9.568
196 HH TYR 31 HH TYR 31 -0.643 -0.804 10.342
197 H CYS 32 H CYS 32 6.622 0.338 5.599
198 HA CYS 32 HA CYS 32 6.745 0.224 2.695
199 HB2 CYS 32 1HB CYS 32 8.054 1.900 4.812
200 HB3 CYS 32 2HB CYS 32 8.717 1.866 3.169
201 H GLY 33 H GLY 33 8.366 -1.078 5.461
202 HA2 GLY 33 2HA GLY 33 10.882 -1.660 4.388
203 HA3 GLY 33 3HA GLY 33 10.095 -2.572 5.667
204 H ALA 34 H ALA 34 11.730 -3.814 3.823
205 HA ALA 34 HA ALA 34 10.148 -4.964 1.710
206 HB1 ALA 34 1HB ALA 34 12.398 -6.549 1.994
207 HB2 ALA 34 2HB ALA 34 12.214 -5.174 0.906
208 HB3 ALA 34 3HB ALA 34 12.937 -4.947 2.497
209 H GLY 35 H GLY 35 8.610 -6.405 2.143
210 HA2 GLY 35 2HA GLY 35 8.881 -8.936 2.997
211 HA3 GLY 35 3HA GLY 35 8.753 -8.066 4.519
212 H SER 36 H SER 36 6.945 -6.065 3.178
213 HA SER 36 HA SER 36 4.552 -7.702 2.764
214 HB2 SER 36 1HB SER 36 4.760 -7.018 5.206
215 HB3 SER 36 2HB SER 36 4.542 -5.347 4.657
216 HG SER 36 HG SER 36 2.718 -7.467 4.167
217 H CYS 37 H CYS 37 6.465 -5.636 1.391
218 HA CYS 37 HA CYS 37 4.533 -3.629 0.550
219 HB2 CYS 37 1HB CYS 37 6.981 -3.153 1.044
220 HB3 CYS 37 2HB CYS 37 7.346 -3.977 -0.481
221 H GLN 38 H GLN 38 3.498 -3.595 -1.365
222 HA GLN 38 HA GLN 38 4.178 -5.684 -3.326
223 HB2 GLN 38 1HB GLN 38 2.146 -6.339 -2.190
224 HB3 GLN 38 2HB GLN 38 1.434 -4.745 -2.481
225 HG2 GLN 38 1HG GLN 38 2.176 -5.719 -5.007
226 HG3 GLN 38 2HG GLN 38 1.424 -7.074 -4.152
227 HE21 GLN 38 1HE2 GLN 38 -0.639 -6.447 -2.959
228 HE22 GLN 38 2HE2 GLN 38 -1.749 -5.453 -3.834
229 H SER 39 H SER 39 2.396 -2.625 -2.928
230 HA SER 39 HA SER 39 3.423 -1.799 -5.561
231 HB2 SER 39 1HB SER 39 0.922 -2.452 -5.459
232 HB3 SER 39 2HB SER 39 0.717 -0.942 -4.555
233 HG SER 39 HG SER 39 0.985 -1.287 -7.203
234 H GLN 40 H GLN 40 3.642 0.503 -5.855
235 HA GLN 40 HA GLN 40 4.405 2.549 -5.222
236 HB2 GLN 40 1HB GLN 40 2.399 2.014 -3.027
237 HB3 GLN 40 2HB GLN 40 3.274 3.547 -3.173
238 HG2 GLN 40 1HG GLN 40 1.240 3.966 -4.217
239 HG3 GLN 40 2HG GLN 40 2.357 3.647 -5.551
240 HE21 GLN 40 1HE2 GLN 40 1.252 2.671 -7.091
241 HE22 GLN 40 2HE2 GLN 40 0.194 1.320 -6.881
242 H CYS 41 H CYS 41 6.100 0.488 -4.596
243 HA CYS 41 HA CYS 41 6.959 0.676 -1.854
244 HB2 CYS 41 1HB CYS 41 8.111 -0.663 -4.298
245 HB3 CYS 41 2HB CYS 41 8.906 -0.712 -2.716
246 H ARG 42 H ARG 42 7.065 3.137 -2.199
247 HA ARG 42 HA ARG 42 9.819 3.872 -2.267
248 HB2 ARG 42 1HB ARG 42 9.107 3.764 -4.725
249 HB3 ARG 42 2HB ARG 42 8.121 5.192 -4.374
250 HG2 ARG 42 1HG ARG 42 10.560 5.917 -3.355
251 HG3 ARG 42 2HG ARG 42 10.998 4.960 -4.781
252 HD2 ARG 42 1HD ARG 42 8.982 6.475 -5.797
253 HD3 ARG 42 2HD ARG 42 9.666 7.578 -4.594
254 HE ARG 42 HE ARG 42 11.551 7.788 -5.888
255 HH11 ARG 42 1HH1 ARG 42 9.648 5.106 -7.030
256 HH12 ARG 42 2HH1 ARG 42 10.587 4.883 -8.469
257 HH21 ARG 42 1HH2 ARG 42 12.795 7.505 -7.779
258 HH22 ARG 42 2HH2 ARG 42 12.377 6.248 -8.894
259 H GLY 43 H GLY 43 7.353 4.030 -0.600
260 HA2 GLY 43 2HA GLY 43 6.510 6.742 -0.468
261 HA3 GLY 43 3HA GLY 43 6.268 5.522 0.772
262 H CYS 44 H CYS 44 6.683 7.825 1.837
263 HA CYS 44 HA CYS 44 9.544 8.247 2.261
264 HB2 CYS 44 1HB CYS 44 7.275 9.846 3.436
265 HB3 CYS 44 2HB CYS 44 8.966 10.339 3.246
Start of MODEL 17
1 H1 ALA 1 H ALA 1 -6.060 6.304 7.459
2 HA ALA 1 HA ALA 1 -3.874 4.776 6.249
3 HB1 ALA 1 1HB ALA 1 -6.054 3.514 7.909
4 HB2 ALA 1 2HB ALA 1 -4.802 2.657 7.010
5 HB3 ALA 1 3HB ALA 1 -4.362 3.676 8.380
6 H GLN 2 H GLN 2 -4.419 3.686 4.365
7 HA GLN 2 HA GLN 2 -7.182 3.935 3.416
8 HB2 GLN 2 1HB GLN 2 -6.253 4.581 1.150
9 HB3 GLN 2 2HB GLN 2 -6.161 5.824 2.410
10 HG2 GLN 2 1HG GLN 2 -3.776 4.178 2.361
11 HG3 GLN 2 2HG GLN 2 -4.095 4.936 0.794
12 HE21 GLN 2 1HE2 GLN 2 -3.127 5.421 4.047
13 HE22 GLN 2 2HE2 GLN 2 -2.788 7.111 3.930
14 H ARG 3 H ARG 3 -7.831 2.376 1.923
15 HA ARG 3 HA ARG 3 -6.120 0.003 1.864
16 HB2 ARG 3 1HB ARG 3 -9.048 0.313 1.155
17 HB3 ARG 3 2HB ARG 3 -8.154 -1.213 1.237
18 HG2 ARG 3 1HG ARG 3 -7.660 -0.417 3.702
19 HG3 ARG 3 2HG ARG 3 -9.134 0.528 3.435
20 HD2 ARG 3 1HD ARG 3 -10.363 -1.279 3.865
21 HD3 ARG 3 2HD ARG 3 -9.641 -2.069 2.455
22 HE ARG 3 HE ARG 3 -8.343 -3.324 3.863
23 HH11 ARG 3 1HH1 ARG 3 -9.658 -0.626 5.626
24 HH12 ARG 3 2HH1 ARG 3 -9.100 -1.192 7.165
25 HH21 ARG 3 1HH2 ARG 3 -7.604 -4.080 5.884
26 HH22 ARG 3 2HH2 ARG 3 -7.931 -3.157 7.310
27 H CYS 4 H CYS 4 -5.532 -1.035 -0.019
28 HA CYS 4 HA CYS 4 -6.314 0.168 -2.569
29 HB2 CYS 4 1HB CYS 4 -3.873 -0.003 -3.286
30 HB3 CYS 4 2HB CYS 4 -4.301 1.338 -2.211
31 H GLY 5 H GLY 5 -4.871 -1.216 -4.331
32 HA2 GLY 5 2HA GLY 5 -4.650 -3.250 -5.373
33 HA3 GLY 5 3HA GLY 5 -4.466 -3.952 -3.773
34 H ASP 6 H ASP 6 -5.678 -5.779 -4.268
35 HA ASP 6 HA ASP 6 -8.195 -5.803 -5.479
36 HB2 ASP 6 1HB ASP 6 -6.577 -7.754 -4.864
37 HB3 ASP 6 2HB ASP 6 -7.467 -7.773 -3.334
38 HD2 ASP 6 HD ASP 6 -10.036 -8.361 -6.230
39 H GLN 7 H GLN 7 -7.246 -4.824 -2.330
40 HA GLN 7 HA GLN 7 -9.841 -5.170 -1.123
41 HB2 GLN 7 1HB GLN 7 -7.316 -3.782 -0.215
42 HB3 GLN 7 2HB GLN 7 -8.798 -3.828 0.750
43 HG2 GLN 7 1HG GLN 7 -7.611 -6.384 -0.244
44 HG3 GLN 7 2HG GLN 7 -6.909 -5.569 1.161
45 HE21 GLN 7 1HE2 GLN 7 -7.490 -6.992 2.713
46 HE22 GLN 7 2HE2 GLN 7 -9.125 -7.343 3.144
47 H ALA 8 H ALA 8 -8.752 -3.106 -3.398
48 HA ALA 8 HA ALA 8 -10.749 -1.090 -2.669
49 HB1 ALA 8 1HB ALA 8 -8.046 -0.292 -3.722
50 HB2 ALA 8 2HB ALA 8 -9.322 0.750 -3.091
51 HB3 ALA 8 3HB ALA 8 -8.439 -0.321 -2.003
52 H ARG 9 H ARG 9 -10.828 -3.260 -4.555
53 HA ARG 9 HA ARG 9 -11.456 -3.700 -6.696
54 HB2 ARG 9 1HB ARG 9 -12.980 -1.725 -6.058
55 HB3 ARG 9 2HB ARG 9 -11.904 -0.749 -7.070
56 HG2 ARG 9 1HG ARG 9 -12.699 -1.600 -9.001
57 HG3 ARG 9 2HG ARG 9 -12.924 -3.216 -8.310
58 HD2 ARG 9 1HD ARG 9 -15.057 -2.803 -7.666
59 HD3 ARG 9 2HD ARG 9 -14.694 -1.128 -7.228
60 HE ARG 9 HE ARG 9 -14.571 -1.243 -9.985
61 HH11 ARG 9 1HH1 ARG 9 -16.950 -1.803 -7.506
62 HH12 ARG 9 2HH1 ARG 9 -18.289 -1.349 -8.506
63 HH21 ARG 9 1HH2 ARG 9 -16.327 -0.643 -11.313
64 HH22 ARG 9 2HH2 ARG 9 -17.935 -0.690 -10.671
65 H GLY 10 H GLY 10 -8.663 -3.047 -6.120
66 HA2 GLY 10 2HA GLY 10 -6.761 -3.078 -7.448
67 HA3 GLY 10 3HA GLY 10 -7.775 -2.778 -8.851
68 H ALA 11 H ALA 11 -8.019 -0.705 -6.084
69 HA ALA 11 HA ALA 11 -7.248 1.571 -7.665
70 HB1 ALA 11 1HB ALA 11 -7.899 1.478 -4.724
71 HB2 ALA 11 2HB ALA 11 -7.900 2.896 -5.774
72 HB3 ALA 11 3HB ALA 11 -9.100 1.625 -6.008
73 H LYS 12 H LYS 12 -5.382 2.695 -7.618
74 HA LYS 12 HA LYS 12 -3.184 1.562 -6.056
75 HB2 LYS 12 1HB LYS 12 -3.264 3.458 -8.410
76 HB3 LYS 12 2HB LYS 12 -1.775 3.049 -7.542
77 HG2 LYS 12 1HG LYS 12 -1.838 0.806 -8.234
78 HG3 LYS 12 2HG LYS 12 -3.528 0.937 -8.752
79 HD2 LYS 12 1HD LYS 12 -2.367 1.000 -10.769
80 HD3 LYS 12 2HD LYS 12 -2.650 2.713 -10.412
81 HE2 LYS 12 1HE LYS 12 -0.339 2.654 -9.264
82 HE3 LYS 12 2HE LYS 12 -0.113 1.132 -10.141
83 HZ1 LYS 12 3HZ LYS 12 -0.938 3.587 -11.560
84 HZ2 LYS 12 1HZ LYS 12 -0.190 2.202 -12.183
85 HZ3 LYS 12 2HZ LYS 12 0.693 3.282 -11.227
86 H CYS 13 H CYS 13 -1.632 3.026 -5.031
87 HA CYS 13 HA CYS 13 -3.011 5.318 -3.813
88 HB2 CYS 13 1HB CYS 13 -0.861 3.454 -2.862
89 HB3 CYS 13 2HB CYS 13 -1.048 5.051 -2.115
90 HA PRO 14 HA PRO 14 -0.238 8.242 -5.544
91 HB2 PRO 14 1HB PRO 14 0.073 10.025 -3.488
92 HB3 PRO 14 2HB PRO 14 -1.414 9.867 -4.424
93 HG2 PRO 14 1HG PRO 14 -0.706 8.676 -1.763
94 HG3 PRO 14 2HG PRO 14 -2.227 9.494 -2.278
95 HD2 PRO 14 1HD PRO 14 -1.996 6.795 -2.117
96 HD3 PRO 14 2HD PRO 14 -3.006 7.599 -3.332
97 H ASN 15 H ASN 15 1.812 9.625 -4.788
98 HA ASN 15 HA ASN 15 3.846 7.677 -4.213
99 HB2 ASN 15 1HB ASN 15 4.279 10.656 -4.440
100 HB3 ASN 15 2HB ASN 15 5.412 9.350 -4.809
101 HD21 ASN 15 1HD2 ASN 15 4.288 7.717 -6.457
102 HD22 ASN 15 2HD2 ASN 15 3.704 8.491 -7.887
103 H CYS 16 H CYS 16 5.670 8.374 -2.668
104 HA CYS 16 HA CYS 16 6.395 8.764 -0.546
105 HB2 CYS 16 1HB CYS 16 5.358 11.040 -1.090
106 HB3 CYS 16 2HB CYS 16 3.980 10.513 -0.110
107 H LEU 17 H LEU 17 3.982 6.914 -1.316
108 HA LEU 17 HA LEU 17 3.444 6.112 1.457
109 HB2 LEU 17 1HB LEU 17 1.527 7.376 0.284
110 HB3 LEU 17 2HB LEU 17 1.347 5.896 -0.675
111 HG LEU 17 HG LEU 17 1.045 4.666 1.522
112 HD11 LEU 17 1HD1 LEU 17 0.669 7.475 2.551
113 HD12 LEU 17 2HD1 LEU 17 1.994 6.391 2.974
114 HD13 LEU 17 3HD1 LEU 17 0.342 5.986 3.439
115 HD21 LEU 17 3HD2 LEU 17 -0.797 5.229 -0.016
116 HD22 LEU 17 1HD2 LEU 17 -1.005 6.767 0.822
117 HD23 LEU 17 2HD2 LEU 17 -1.299 5.251 1.675
118 H CYS 18 H CYS 18 2.800 3.850 1.678
119 HA CYS 18 HA CYS 18 3.819 2.179 -0.526
120 HB2 CYS 18 1HB CYS 18 4.060 1.656 2.441
121 HB3 CYS 18 2HB CYS 18 4.678 0.612 1.150
122 H CYS 19 H CYS 19 2.598 0.489 -1.162
123 HA CYS 19 HA CYS 19 0.009 0.149 0.177
124 HB2 CYS 19 1HB CYS 19 0.036 0.736 -2.232
125 HB3 CYS 19 2HB CYS 19 0.868 -0.792 -2.567
126 H GLY 20 H GLY 20 0.054 -1.408 1.672
127 HA2 GLY 20 2HA GLY 20 1.875 -3.568 1.699
128 HA3 GLY 20 3HA GLY 20 0.429 -3.431 2.689
129 H LYS 21 H LYS 21 1.755 -5.635 1.013
130 HA LYS 21 HA LYS 21 0.328 -6.390 -1.181
131 HB2 LYS 21 1HB LYS 21 2.183 -7.705 -0.384
132 HB3 LYS 21 2HB LYS 21 1.297 -8.128 1.091
133 HG2 LYS 21 1HG LYS 21 0.315 -9.864 0.116
134 HG3 LYS 21 2HG LYS 21 -0.192 -8.875 -1.265
135 HD2 LYS 21 1HD LYS 21 1.959 -9.161 -2.335
136 HD3 LYS 21 2HD LYS 21 2.574 -10.030 -0.917
137 HE2 LYS 21 1HE LYS 21 2.021 -11.685 -2.535
138 HE3 LYS 21 2HE LYS 21 0.759 -11.730 -1.295
139 HZ1 LYS 21 3HZ LYS 21 -0.461 -10.120 -2.874
140 HZ2 LYS 21 1HZ LYS 21 -0.441 -11.771 -3.245
141 HZ3 LYS 21 2HZ LYS 21 0.599 -10.710 -4.052
142 H TYR 22 H TYR 22 -0.740 -6.404 2.142
143 HA TYR 22 HA TYR 22 -3.138 -7.913 1.576
144 HB2 TYR 22 1HB TYR 22 -2.437 -6.328 4.059
145 HB3 TYR 22 2HB TYR 22 -3.685 -7.567 3.913
146 HD1 TYR 22 2HD TYR 22 -3.001 -9.960 3.476
147 HD2 TYR 22 1HD TYR 22 -0.205 -6.946 4.569
148 HE1 TYR 22 2HE TYR 22 -1.395 -11.700 4.139
149 HE2 TYR 22 1HE TYR 22 1.410 -8.677 5.234
150 HH TYR 22 HH TYR 22 1.894 -10.900 5.079
151 H GLY 23 H GLY 23 -2.857 -5.613 -0.047
152 HA2 GLY 23 2HA GLY 23 -3.967 -3.706 -0.711
153 HA3 GLY 23 3HA GLY 23 -5.374 -4.546 -0.075
154 H PHE 24 H PHE 24 -2.566 -3.239 1.653
155 HA PHE 24 HA PHE 24 -4.359 -1.311 2.966
156 HB2 PHE 24 1HB PHE 24 -3.841 -3.384 4.363
157 HB3 PHE 24 2HB PHE 24 -2.178 -2.797 4.429
158 HD1 PHE 24 2HD PHE 24 -5.643 -1.583 5.076
159 HD2 PHE 24 1HD PHE 24 -1.535 -1.459 6.180
160 HE1 PHE 24 2HE PHE 24 -6.205 -0.145 6.990
161 HE2 PHE 24 1HE PHE 24 -2.090 -0.020 8.097
162 HZ PHE 24 HZ PHE 24 -4.427 0.640 8.504
163 H CYS 25 H CYS 25 -3.660 0.587 2.205
164 HA CYS 25 HA CYS 25 -0.828 1.058 1.760
165 HB2 CYS 25 1HB CYS 25 -3.354 2.562 1.164
166 HB3 CYS 25 2HB CYS 25 -1.790 3.391 1.088
167 H GLY 26 H GLY 26 0.480 1.943 3.214
168 HA2 GLY 26 2HA GLY 26 -0.579 3.882 5.128
169 HA3 GLY 26 3HA GLY 26 0.154 2.428 5.788
170 H SER 27 H SER 27 1.672 3.856 6.832
171 HA SER 27 HA SER 27 3.877 4.583 5.031
172 HB2 SER 27 1HB SER 27 2.518 6.603 5.769
173 HB3 SER 27 2HB SER 27 3.089 6.267 7.413
174 HG SER 27 HG SER 27 4.414 7.404 5.314
175 H GLY 28 H GLY 28 5.787 5.346 6.718
176 HA2 GLY 28 2HA GLY 28 7.281 4.671 8.339
177 HA3 GLY 28 3HA GLY 28 5.980 3.753 9.082
178 H ASP 29 H ASP 29 8.644 2.857 8.897
179 HA ASP 29 HA ASP 29 9.104 1.134 6.720
180 HB2 ASP 29 1HB ASP 29 10.194 1.377 9.499
181 HB3 ASP 29 2HB ASP 29 10.573 -0.070 8.555
182 HD2 ASP 29 HD ASP 29 12.709 1.659 6.461
183 H ALA 30 H ALA 30 6.940 0.910 9.332
184 HA ALA 30 HA ALA 30 6.808 -1.860 9.746
185 HB1 ALA 30 1HB ALA 30 4.204 -0.825 10.034
186 HB2 ALA 30 2HB ALA 30 5.396 -1.137 11.296
187 HB3 ALA 30 3HB ALA 30 5.318 0.449 10.530
188 H TYR 31 H TYR 31 5.434 0.189 7.261
189 HA TYR 31 HA TYR 31 4.267 -2.206 5.999
190 HB2 TYR 31 1HB TYR 31 3.354 0.678 5.815
191 HB3 TYR 31 2HB TYR 31 2.673 -0.655 4.878
192 HD1 TYR 31 2HD TYR 31 1.494 -2.531 6.068
193 HD2 TYR 31 1HD TYR 31 2.629 1.060 8.046
194 HE1 TYR 31 2HE TYR 31 -0.092 -3.034 7.880
195 HE2 TYR 31 1HE TYR 31 1.048 0.567 9.864
196 HH TYR 31 HH TYR 31 -0.395 -2.457 10.273
197 H CYS 32 H CYS 32 6.491 0.365 5.730
198 HA CYS 32 HA CYS 32 6.680 0.201 2.831
199 HB2 CYS 32 1HB CYS 32 7.953 1.902 4.949
200 HB3 CYS 32 2HB CYS 32 8.654 1.835 3.323
201 H GLY 33 H GLY 33 8.226 -1.068 5.655
202 HA2 GLY 33 2HA GLY 33 10.761 -1.687 4.649
203 HA3 GLY 33 3HA GLY 33 9.937 -2.572 5.925
204 H ALA 34 H ALA 34 11.604 -3.857 4.140
205 HA ALA 34 HA ALA 34 10.061 -5.029 2.010
206 HB1 ALA 34 1HB ALA 34 12.148 -6.605 1.997
207 HB2 ALA 34 2HB ALA 34 12.285 -4.938 1.433
208 HB3 ALA 34 3HB ALA 34 12.834 -5.369 3.052
209 H GLY 35 H GLY 35 8.499 -6.448 2.434
210 HA2 GLY 35 2HA GLY 35 8.733 -8.968 3.334
211 HA3 GLY 35 3HA GLY 35 8.579 -8.072 4.838
212 H SER 36 H SER 36 6.816 -6.081 3.424
213 HA SER 36 HA SER 36 4.420 -7.705 2.985
214 HB2 SER 36 1HB SER 36 4.369 -7.136 5.361
215 HB3 SER 36 2HB SER 36 4.593 -5.422 4.967
216 HG SER 36 HG SER 36 2.474 -5.461 5.033
217 H CYS 37 H CYS 37 6.379 -5.677 1.621
218 HA CYS 37 HA CYS 37 4.482 -3.670 0.703
219 HB2 CYS 37 1HB CYS 37 6.921 -3.202 1.244
220 HB3 CYS 37 2HB CYS 37 7.316 -4.056 -0.258
221 H GLN 38 H GLN 38 3.491 -3.660 -1.235
222 HA GLN 38 HA GLN 38 4.199 -5.787 -3.144
223 HB2 GLN 38 1HB GLN 38 2.138 -6.409 -2.043
224 HB3 GLN 38 2HB GLN 38 1.443 -4.815 -2.377
225 HG2 GLN 38 1HG GLN 38 2.234 -5.836 -4.869
226 HG3 GLN 38 2HG GLN 38 1.452 -7.169 -4.009
227 HE21 GLN 38 1HE2 GLN 38 -0.631 -6.505 -2.871
228 HE22 GLN 38 2HE2 GLN 38 -1.713 -5.519 -3.789
229 H SER 39 H SER 39 2.428 -2.709 -2.838
230 HA SER 39 HA SER 39 3.519 -1.935 -5.461
231 HB2 SER 39 1HB SER 39 1.010 -2.567 -5.401
232 HB3 SER 39 2HB SER 39 0.799 -1.040 -4.527
233 HG SER 39 HG SER 39 1.943 -0.054 -6.354
234 H GLN 40 H GLN 40 3.762 0.361 -5.788
235 HA GLN 40 HA GLN 40 4.527 2.411 -5.171
236 HB2 GLN 40 1HB GLN 40 2.471 1.928 -3.013
237 HB3 GLN 40 2HB GLN 40 3.360 3.450 -3.164
238 HG2 GLN 40 1HG GLN 40 1.354 3.871 -4.260
239 HG3 GLN 40 2HG GLN 40 2.497 3.519 -5.564
240 HE21 GLN 40 1HE2 GLN 40 1.421 2.521 -7.111
241 HE22 GLN 40 2HE2 GLN 40 0.345 1.187 -6.900
242 H CYS 41 H CYS 41 6.193 0.349 -4.476
243 HA CYS 41 HA CYS 41 6.995 0.577 -1.719
244 HB2 CYS 41 1HB CYS 41 8.187 -0.814 -4.116
245 HB3 CYS 41 2HB CYS 41 8.949 -0.841 -2.517
246 H ARG 42 H ARG 42 7.126 3.030 -2.102
247 HA ARG 42 HA ARG 42 9.888 3.745 -2.125
248 HB2 ARG 42 1HB ARG 42 9.191 3.600 -4.600
249 HB3 ARG 42 2HB ARG 42 8.260 5.070 -4.278
250 HG2 ARG 42 1HG ARG 42 10.641 5.815 -3.262
251 HG3 ARG 42 2HG ARG 42 11.168 4.692 -4.529
252 HD2 ARG 42 1HD ARG 42 9.236 6.152 -5.825
253 HD3 ARG 42 2HD ARG 42 9.973 7.352 -4.755
254 HE ARG 42 HE ARG 42 11.835 7.320 -6.074
255 HH11 ARG 42 1HH1 ARG 42 9.988 4.429 -6.672
256 HH12 ARG 42 2HH1 ARG 42 10.991 3.904 -7.984
257 HH21 ARG 42 1HH2 ARG 42 13.162 6.638 -7.799
258 HH22 ARG 42 2HH2 ARG 42 12.796 5.161 -8.623
259 H GLY 43 H GLY 43 7.389 3.947 -0.514
260 HA2 GLY 43 2HA GLY 43 6.563 6.667 -0.444
261 HA3 GLY 43 3HA GLY 43 6.287 5.471 0.813
262 H CYS 44 H CYS 44 6.697 7.788 1.847
263 HA CYS 44 HA CYS 44 9.552 8.198 2.321
264 HB2 CYS 44 1HB CYS 44 7.271 9.832 3.423
265 HB3 CYS 44 2HB CYS 44 8.970 10.311 3.259
Start of MODEL 18
1 H1 ALA 1 H ALA 1 -4.736 6.720 7.831
2 HA ALA 1 HA ALA 1 -3.718 4.386 6.520
3 HB1 ALA 1 1HB ALA 1 -4.417 4.007 8.713
4 HB2 ALA 1 2HB ALA 1 -5.933 4.878 8.481
5 HB3 ALA 1 3HB ALA 1 -5.702 3.296 7.735
6 H GLN 2 H GLN 2 -4.234 3.804 4.523
7 HA GLN 2 HA GLN 2 -7.011 4.098 3.632
8 HB2 GLN 2 1HB GLN 2 -6.124 4.732 1.347
9 HB3 GLN 2 2HB GLN 2 -5.981 5.970 2.604
10 HG2 GLN 2 1HG GLN 2 -3.624 4.297 2.520
11 HG3 GLN 2 2HG GLN 2 -3.966 5.026 0.944
12 HE21 GLN 2 1HE2 GLN 2 -3.690 7.184 0.652
13 HE22 GLN 2 2HE2 GLN 2 -3.034 8.240 1.851
14 H ARG 3 H ARG 3 -7.716 2.547 2.154
15 HA ARG 3 HA ARG 3 -6.042 0.149 2.060
16 HB2 ARG 3 1HB ARG 3 -8.978 0.503 1.409
17 HB3 ARG 3 2HB ARG 3 -8.107 -1.037 1.481
18 HG2 ARG 3 1HG ARG 3 -7.574 0.004 3.948
19 HG3 ARG 3 2HG ARG 3 -9.215 0.594 3.637
20 HD2 ARG 3 1HD ARG 3 -8.265 -2.277 3.574
21 HD3 ARG 3 2HD ARG 3 -9.354 -1.531 4.752
22 HE ARG 3 HE ARG 3 -10.369 -1.317 2.097
23 HH11 ARG 3 1HH1 ARG 3 -10.015 -3.492 4.793
24 HH12 ARG 3 2HH1 ARG 3 -11.394 -4.453 4.366
25 HH21 ARG 3 1HH2 ARG 3 -12.185 -2.574 1.526
26 HH22 ARG 3 2HH2 ARG 3 -12.627 -3.929 2.507
27 H CYS 4 H CYS 4 -5.507 -0.898 0.167
28 HA CYS 4 HA CYS 4 -6.325 0.315 -2.367
29 HB2 CYS 4 1HB CYS 4 -3.902 0.106 -3.133
30 HB3 CYS 4 2HB CYS 4 -4.287 1.456 -2.052
31 H GLY 5 H GLY 5 -4.940 -1.091 -4.157
32 HA2 GLY 5 2HA GLY 5 -4.771 -3.128 -5.202
33 HA3 GLY 5 3HA GLY 5 -4.563 -3.833 -3.606
34 H ASP 6 H ASP 6 -5.811 -5.641 -4.076
35 HA ASP 6 HA ASP 6 -8.356 -5.628 -5.232
36 HB2 ASP 6 1HB ASP 6 -6.763 -7.607 -4.671
37 HB3 ASP 6 2HB ASP 6 -7.587 -7.607 -3.107
38 HD2 ASP 6 HD ASP 6 -9.644 -8.774 -6.289
39 H GLN 7 H GLN 7 -7.323 -4.665 -2.105
40 HA GLN 7 HA GLN 7 -9.896 -4.975 -0.840
41 HB2 GLN 7 1HB GLN 7 -7.343 -3.600 0.018
42 HB3 GLN 7 2HB GLN 7 -8.802 -3.671 1.018
43 HG2 GLN 7 1HG GLN 7 -7.199 -6.035 0.043
44 HG3 GLN 7 2HG GLN 7 -7.210 -5.374 1.684
45 HE21 GLN 7 1HE2 GLN 7 -8.432 -7.738 -0.236
46 HE22 GLN 7 2HE2 GLN 7 -9.851 -8.140 0.663
47 H ALA 8 H ALA 8 -8.827 -2.923 -3.139
48 HA ALA 8 HA ALA 8 -10.778 -0.881 -2.365
49 HB1 ALA 8 1HB ALA 8 -8.023 -0.203 -3.384
50 HB2 ALA 8 2HB ALA 8 -9.301 0.934 -2.952
51 HB3 ALA 8 3HB ALA 8 -8.545 -0.058 -1.705
52 H ARG 9 H ARG 9 -10.929 -3.048 -4.251
53 HA ARG 9 HA ARG 9 -11.608 -3.478 -6.378
54 HB2 ARG 9 1HB ARG 9 -13.114 -1.519 -5.723
55 HB3 ARG 9 2HB ARG 9 -12.031 -0.513 -6.697
56 HG2 ARG 9 1HG ARG 9 -13.072 -1.093 -8.564
57 HG3 ARG 9 2HG ARG 9 -12.807 -2.810 -8.212
58 HD2 ARG 9 1HD ARG 9 -14.811 -2.865 -6.816
59 HD3 ARG 9 2HD ARG 9 -15.059 -1.137 -7.104
60 HE ARG 9 HE ARG 9 -15.961 -1.639 -9.146
61 HH11 ARG 9 1HH1 ARG 9 -14.235 -4.414 -7.949
62 HH12 ARG 9 2HH1 ARG 9 -14.796 -5.469 -9.204
63 HH21 ARG 9 1HH2 ARG 9 -16.707 -3.017 -10.805
64 HH22 ARG 9 2HH2 ARG 9 -16.201 -4.672 -10.828
65 H GLY 10 H GLY 10 -8.794 -2.862 -5.862
66 HA2 GLY 10 2HA GLY 10 -6.923 -2.916 -7.230
67 HA3 GLY 10 3HA GLY 10 -7.962 -2.603 -8.612
68 H ALA 11 H ALA 11 -8.118 -0.528 -5.837
69 HA ALA 11 HA ALA 11 -7.357 1.739 -7.434
70 HB1 ALA 11 1HB ALA 11 -7.943 3.070 -5.525
71 HB2 ALA 11 2HB ALA 11 -9.166 1.816 -5.732
72 HB3 ALA 11 3HB ALA 11 -7.937 1.651 -4.478
73 H LYS 12 H LYS 12 -5.479 2.845 -7.425
74 HA LYS 12 HA LYS 12 -3.255 1.681 -5.923
75 HB2 LYS 12 1HB LYS 12 -3.324 3.643 -8.227
76 HB3 LYS 12 2HB LYS 12 -1.841 3.076 -7.439
77 HG2 LYS 12 1HG LYS 12 -2.141 0.864 -8.207
78 HG3 LYS 12 2HG LYS 12 -3.811 1.195 -8.704
79 HD2 LYS 12 1HD LYS 12 -2.609 1.209 -10.715
80 HD3 LYS 12 2HD LYS 12 -2.800 2.923 -10.304
81 HE2 LYS 12 1HE LYS 12 -0.589 3.232 -10.142
82 HE3 LYS 12 2HE LYS 12 -0.408 1.802 -9.117
83 HZ1 LYS 12 3HZ LYS 12 0.805 1.688 -11.264
84 HZ2 LYS 12 1HZ LYS 12 -0.683 1.675 -12.069
85 HZ3 LYS 12 2HZ LYS 12 -0.275 0.409 -11.024
86 H CYS 13 H CYS 13 -1.663 3.120 -4.927
87 HA CYS 13 HA CYS 13 -2.983 5.426 -3.673
88 HB2 CYS 13 1HB CYS 13 -0.839 3.530 -2.775
89 HB3 CYS 13 2HB CYS 13 -0.988 5.126 -2.020
90 HA PRO 14 HA PRO 14 -0.209 8.318 -5.457
91 HB2 PRO 14 1HB PRO 14 0.170 10.091 -3.404
92 HB3 PRO 14 2HB PRO 14 -1.338 9.955 -4.306
93 HG2 PRO 14 1HG PRO 14 -0.587 8.746 -1.665
94 HG3 PRO 14 2HG PRO 14 -2.110 9.586 -2.143
95 HD2 PRO 14 1HD PRO 14 -1.912 6.884 -1.995
96 HD3 PRO 14 2HD PRO 14 -2.936 7.704 -3.186
97 H ASN 15 H ASN 15 1.875 9.671 -4.741
98 HA ASN 15 HA ASN 15 3.894 7.693 -4.217
99 HB2 ASN 15 1HB ASN 15 4.001 10.658 -4.802
100 HB3 ASN 15 2HB ASN 15 5.447 9.693 -4.483
101 HD21 ASN 15 1HD2 ASN 15 4.072 11.085 -6.902
102 HD22 ASN 15 2HD2 ASN 15 4.275 9.925 -8.165
103 H CYS 16 H CYS 16 5.762 8.363 -2.711
104 HA CYS 16 HA CYS 16 6.538 8.736 -0.605
105 HB2 CYS 16 1HB CYS 16 5.524 11.027 -1.122
106 HB3 CYS 16 2HB CYS 16 4.160 10.519 -0.113
107 H LEU 17 H LEU 17 4.090 6.918 -1.325
108 HA LEU 17 HA LEU 17 3.598 6.120 1.459
109 HB2 LEU 17 1HB LEU 17 1.673 7.412 0.327
110 HB3 LEU 17 2HB LEU 17 1.453 5.936 -0.629
111 HG LEU 17 HG LEU 17 1.178 4.706 1.569
112 HD11 LEU 17 1HD1 LEU 17 2.176 6.360 3.034
113 HD12 LEU 17 2HD1 LEU 17 0.499 6.067 3.493
114 HD13 LEU 17 3HD1 LEU 17 0.926 7.527 2.601
115 HD21 LEU 17 3HD2 LEU 17 -0.849 6.843 0.916
116 HD22 LEU 17 1HD2 LEU 17 -1.152 5.335 1.781
117 HD23 LEU 17 2HD2 LEU 17 -0.690 5.298 0.079
118 H CYS 18 H CYS 18 2.925 3.867 1.688
119 HA CYS 18 HA CYS 18 3.875 2.187 -0.539
120 HB2 CYS 18 1HB CYS 18 4.174 1.654 2.424
121 HB3 CYS 18 2HB CYS 18 4.751 0.606 1.116
122 H CYS 19 H CYS 19 2.617 0.515 -1.149
123 HA CYS 19 HA CYS 19 0.053 0.207 0.245
124 HB2 CYS 19 1HB CYS 19 0.036 0.795 -2.165
125 HB3 CYS 19 2HB CYS 19 0.840 -0.744 -2.517
126 H GLY 20 H GLY 20 0.108 -1.351 1.738
127 HA2 GLY 20 2HA GLY 20 1.901 -3.535 1.725
128 HA3 GLY 20 3HA GLY 20 0.479 -3.379 2.746
129 H LYS 21 H LYS 21 1.737 -5.601 1.042
130 HA LYS 21 HA LYS 21 0.253 -6.334 -1.121
131 HB2 LYS 21 1HB LYS 21 2.081 -7.701 -0.422
132 HB3 LYS 21 2HB LYS 21 1.301 -8.049 1.130
133 HG2 LYS 21 1HG LYS 21 1.151 -9.979 -0.308
134 HG3 LYS 21 2HG LYS 21 -0.462 -9.290 -0.051
135 HD2 LYS 21 1HD LYS 21 -0.575 -8.403 -2.213
136 HD3 LYS 21 2HD LYS 21 1.180 -8.511 -2.438
137 HE2 LYS 21 1HE LYS 21 -0.512 -10.977 -2.059
138 HE3 LYS 21 2HE LYS 21 -0.295 -10.226 -3.648
139 HZ1 LYS 21 3HZ LYS 21 1.711 -11.122 -3.835
140 HZ2 LYS 21 1HZ LYS 21 1.387 -12.030 -2.445
141 HZ3 LYS 21 2HZ LYS 21 2.199 -10.551 -2.320
142 H TYR 22 H TYR 22 -0.744 -6.336 2.225
143 HA TYR 22 HA TYR 22 -3.173 -7.810 1.712
144 HB2 TYR 22 1HB TYR 22 -2.202 -6.307 4.155
145 HB3 TYR 22 2HB TYR 22 -3.691 -7.253 4.094
146 HD1 TYR 22 2HD TYR 22 -3.129 -9.714 2.869
147 HD2 TYR 22 1HD TYR 22 -0.554 -7.408 5.350
148 HE1 TYR 22 2HE TYR 22 -1.894 -11.753 3.472
149 HE2 TYR 22 1HE TYR 22 0.688 -9.441 5.959
150 HH TYR 22 HH TYR 22 -0.444 -12.510 5.448
151 H GLY 23 H GLY 23 -2.896 -5.516 0.082
152 HA2 GLY 23 2HA GLY 23 -3.993 -3.593 -0.560
153 HA3 GLY 23 3HA GLY 23 -5.398 -4.413 0.105
154 H PHE 24 H PHE 24 -2.537 -3.145 1.774
155 HA PHE 24 HA PHE 24 -4.276 -1.192 3.123
156 HB2 PHE 24 1HB PHE 24 -3.705 -3.311 4.481
157 HB3 PHE 24 2HB PHE 24 -2.074 -2.644 4.573
158 HD1 PHE 24 2HD PHE 24 -5.613 -1.786 5.310
159 HD2 PHE 24 1HD PHE 24 -1.509 -1.115 6.221
160 HE1 PHE 24 2HE PHE 24 -6.270 -0.396 7.231
161 HE2 PHE 24 1HE PHE 24 -2.160 0.276 8.143
162 HZ PHE 24 HZ PHE 24 -4.542 0.638 8.650
163 H CYS 25 H CYS 25 -3.565 0.698 2.350
164 HA CYS 25 HA CYS 25 -0.736 1.127 1.846
165 HB2 CYS 25 1HB CYS 25 -3.252 2.668 1.305
166 HB3 CYS 25 2HB CYS 25 -1.677 3.474 1.196
167 H GLY 26 H GLY 26 0.614 1.989 3.274
168 HA2 GLY 26 2HA GLY 26 -0.375 3.943 5.210
169 HA3 GLY 26 3HA GLY 26 0.350 2.478 5.855
170 H SER 27 H SER 27 1.909 3.885 6.869
171 HA SER 27 HA SER 27 4.087 4.580 5.022
172 HB2 SER 27 1HB SER 27 2.773 6.618 5.793
173 HB3 SER 27 2HB SER 27 3.376 6.270 7.424
174 HG SER 27 HG SER 27 4.799 7.695 6.504
175 H GLY 28 H GLY 28 6.044 5.310 6.669
176 HA2 GLY 28 2HA GLY 28 7.560 4.609 8.258
177 HA3 GLY 28 3HA GLY 28 6.262 3.707 9.025
178 H ASP 29 H ASP 29 8.911 2.777 8.779
179 HA ASP 29 HA ASP 29 9.301 1.055 6.587
180 HB2 ASP 29 1HB ASP 29 10.401 1.042 9.403
181 HB3 ASP 29 2HB ASP 29 10.905 -0.127 8.174
182 HD2 ASP 29 HD ASP 29 12.682 2.299 6.396
183 H ALA 30 H ALA 30 7.193 0.851 9.247
184 HA ALA 30 HA ALA 30 7.034 -1.917 9.657
185 HB1 ALA 30 1HB ALA 30 5.691 -1.155 11.249
186 HB2 ALA 30 2HB ALA 30 5.567 0.414 10.453
187 HB3 ALA 30 3HB ALA 30 4.453 -0.884 10.022
188 H TYR 31 H TYR 31 5.634 0.155 7.206
189 HA TYR 31 HA TYR 31 4.407 -2.222 5.966
190 HB2 TYR 31 1HB TYR 31 3.529 0.673 5.784
191 HB3 TYR 31 2HB TYR 31 2.798 -0.666 4.896
192 HD1 TYR 31 2HD TYR 31 2.664 -2.779 6.933
193 HD2 TYR 31 1HD TYR 31 1.858 1.386 7.258
194 HE1 TYR 31 2HE TYR 31 1.138 -3.227 8.809
195 HE2 TYR 31 1HE TYR 31 0.331 0.950 9.136
196 HH TYR 31 HH TYR 31 -0.714 -2.212 9.959
197 H CYS 32 H CYS 32 6.659 0.322 5.655
198 HA CYS 32 HA CYS 32 6.782 0.164 2.752
199 HB2 CYS 32 1HB CYS 32 8.122 1.843 4.845
200 HB3 CYS 32 2HB CYS 32 8.786 1.773 3.204
201 H GLY 33 H GLY 33 8.375 -1.129 5.538
202 HA2 GLY 33 2HA GLY 33 10.878 -1.779 4.472
203 HA3 GLY 33 3HA GLY 33 10.073 -2.654 5.766
204 H ALA 34 H ALA 34 11.681 -3.959 3.942
205 HA ALA 34 HA ALA 34 10.074 -5.109 1.847
206 HB1 ALA 34 1HB ALA 34 12.593 -6.420 2.692
207 HB2 ALA 34 2HB ALA 34 11.992 -6.048 1.075
208 HB3 ALA 34 3HB ALA 34 12.707 -4.775 2.066
209 H GLY 35 H GLY 35 8.501 -6.501 2.314
210 HA2 GLY 35 2HA GLY 35 8.721 -9.028 3.203
211 HA3 GLY 35 3HA GLY 35 8.615 -8.131 4.711
212 H SER 36 H SER 36 6.848 -6.115 3.337
213 HA SER 36 HA SER 36 4.420 -7.706 2.956
214 HB2 SER 36 1HB SER 36 4.692 -6.942 5.392
215 HB3 SER 36 2HB SER 36 4.411 -5.302 4.778
216 HG SER 36 HG SER 36 2.588 -7.044 5.425
217 H CYS 37 H CYS 37 6.374 -5.705 1.545
218 HA CYS 37 HA CYS 37 4.483 -3.673 0.670
219 HB2 CYS 37 1HB CYS 37 6.942 -3.242 1.153
220 HB3 CYS 37 2HB CYS 37 7.288 -4.097 -0.359
221 H GLN 38 H GLN 38 3.450 -3.649 -1.246
222 HA GLN 38 HA GLN 38 4.086 -5.787 -3.171
223 HB2 GLN 38 1HB GLN 38 2.045 -6.383 -2.021
224 HB3 GLN 38 2HB GLN 38 1.361 -4.780 -2.340
225 HG2 GLN 38 1HG GLN 38 2.081 -5.813 -4.848
226 HG3 GLN 38 2HG GLN 38 1.304 -7.137 -3.969
227 HE21 GLN 38 1HE2 GLN 38 -0.746 -6.450 -2.788
228 HE22 GLN 38 2HE2 GLN 38 -1.836 -5.451 -3.680
229 H SER 39 H SER 39 2.362 -2.686 -2.823
230 HA SER 39 HA SER 39 3.401 -1.925 -5.471
231 HB2 SER 39 1HB SER 39 0.887 -2.528 -5.356
232 HB3 SER 39 2HB SER 39 0.714 -0.999 -4.475
233 HG SER 39 HG SER 39 2.152 -0.943 -6.862
234 H GLN 40 H GLN 40 3.665 0.366 -5.804
235 HA GLN 40 HA GLN 40 4.470 2.408 -5.206
236 HB2 GLN 40 1HB GLN 40 2.433 1.938 -3.031
237 HB3 GLN 40 2HB GLN 40 3.366 3.439 -3.142
238 HG2 GLN 40 1HG GLN 40 1.242 3.801 -4.174
239 HG3 GLN 40 2HG GLN 40 2.485 3.768 -5.432
240 HE21 GLN 40 1HE2 GLN 40 0.014 1.814 -3.856
241 HE22 GLN 40 2HE2 GLN 40 -0.311 0.801 -5.216
242 H CYS 41 H CYS 41 6.123 0.321 -4.546
243 HA CYS 41 HA CYS 41 6.990 0.541 -1.809
244 HB2 CYS 41 1HB CYS 41 8.112 -0.865 -4.232
245 HB3 CYS 41 2HB CYS 41 8.907 -0.902 -2.649
246 H ARG 42 H ARG 42 7.146 2.991 -2.194
247 HA ARG 42 HA ARG 42 9.915 3.669 -2.281
248 HB2 ARG 42 1HB ARG 42 9.178 3.536 -4.738
249 HB3 ARG 42 2HB ARG 42 8.242 5.001 -4.400
250 HG2 ARG 42 1HG ARG 42 10.038 6.230 -4.802
251 HG3 ARG 42 2HG ARG 42 10.840 5.464 -3.420
252 HD2 ARG 42 1HD ARG 42 11.911 3.871 -4.741
253 HD3 ARG 42 2HD ARG 42 10.755 4.071 -6.066
254 HE ARG 42 HE ARG 42 13.153 5.558 -5.650
255 HH11 ARG 42 1HH1 ARG 42 9.925 5.746 -6.939
256 HH12 ARG 42 2HH1 ARG 42 10.308 7.003 -8.069
257 HH21 ARG 42 1HH2 ARG 42 13.671 7.211 -7.133
258 HH22 ARG 42 2HH2 ARG 42 12.440 7.835 -8.180
259 H GLY 43 H GLY 43 7.458 3.903 -0.610
260 HA2 GLY 43 2HA GLY 43 6.674 6.635 -0.518
261 HA3 GLY 43 3HA GLY 43 6.405 5.439 0.740
262 H CYS 44 H CYS 44 6.873 7.742 1.778
263 HA CYS 44 HA CYS 44 9.744 8.106 2.192
264 HB2 CYS 44 1HB CYS 44 7.512 9.774 3.347
265 HB3 CYS 44 2HB CYS 44 9.214 10.224 3.149
Start of MODEL 19
1 H1 ALA 1 H ALA 1 -4.063 6.317 7.884
2 HA ALA 1 HA ALA 1 -3.836 4.403 6.435
3 HB1 ALA 1 1HB ALA 1 -4.414 3.583 8.533
4 HB2 ALA 1 2HB ALA 1 -6.054 4.228 8.441
5 HB3 ALA 1 3HB ALA 1 -5.599 2.833 7.463
6 H GLN 2 H GLN 2 -4.371 3.672 4.483
7 HA GLN 2 HA GLN 2 -7.145 3.926 3.567
8 HB2 GLN 2 1HB GLN 2 -6.220 4.606 1.298
9 HB3 GLN 2 2HB GLN 2 -6.169 5.833 2.574
10 HG2 GLN 2 1HG GLN 2 -3.749 4.205 2.458
11 HG3 GLN 2 2HG GLN 2 -4.076 5.097 0.965
12 HE21 GLN 2 1HE2 GLN 2 -4.378 7.405 1.119
13 HE22 GLN 2 2HE2 GLN 2 -3.573 8.288 2.366
14 H ARG 3 H ARG 3 -7.801 2.392 2.050
15 HA ARG 3 HA ARG 3 -6.080 0.030 1.929
16 HB2 ARG 3 1HB ARG 3 -9.014 0.338 1.243
17 HB3 ARG 3 2HB ARG 3 -8.112 -1.184 1.300
18 HG2 ARG 3 1HG ARG 3 -7.609 -0.428 3.773
19 HG3 ARG 3 2HG ARG 3 -9.085 0.523 3.530
20 HD2 ARG 3 1HD ARG 3 -10.344 -1.284 3.865
21 HD3 ARG 3 2HD ARG 3 -9.533 -2.101 2.520
22 HE ARG 3 HE ARG 3 -7.773 -2.408 4.539
23 HH11 ARG 3 1HH1 ARG 3 -11.192 -3.002 4.270
24 HH12 ARG 3 2HH1 ARG 3 -11.187 -4.308 5.408
25 HH21 ARG 3 1HH2 ARG 3 -7.753 -4.127 6.037
26 HH22 ARG 3 2HH2 ARG 3 -9.231 -4.948 6.413
27 H CYS 4 H CYS 4 -5.499 -0.967 0.023
28 HA CYS 4 HA CYS 4 -6.310 0.280 -2.497
29 HB2 CYS 4 1HB CYS 4 -3.873 0.140 -3.236
30 HB3 CYS 4 2HB CYS 4 -4.302 1.458 -2.133
31 H GLY 5 H GLY 5 -4.861 -1.061 -4.293
32 HA2 GLY 5 2HA GLY 5 -4.609 -3.077 -5.365
33 HA3 GLY 5 3HA GLY 5 -4.461 -3.813 -3.776
34 H ASP 6 H ASP 6 -5.665 -5.624 -4.389
35 HA ASP 6 HA ASP 6 -8.172 -5.585 -5.621
36 HB2 ASP 6 1HB ASP 6 -6.463 -7.542 -4.809
37 HB3 ASP 6 2HB ASP 6 -7.749 -7.700 -3.604
38 HD2 ASP 6 HD ASP 6 -9.868 -8.082 -6.686
39 H GLN 7 H GLN 7 -7.249 -4.739 -2.430
40 HA GLN 7 HA GLN 7 -9.855 -5.137 -1.259
41 HB2 GLN 7 1HB GLN 7 -7.290 -3.879 -0.293
42 HB3 GLN 7 2HB GLN 7 -8.786 -3.800 0.653
43 HG2 GLN 7 1HG GLN 7 -8.654 -6.461 0.087
44 HG3 GLN 7 2HG GLN 7 -6.943 -6.033 0.228
45 HE21 GLN 7 1HE2 GLN 7 -6.633 -4.397 2.171
46 HE22 GLN 7 2HE2 GLN 7 -7.304 -4.955 3.663
47 H ALA 8 H ALA 8 -8.756 -2.984 -3.440
48 HA ALA 8 HA ALA 8 -10.744 -0.992 -2.628
49 HB1 ALA 8 1HB ALA 8 -9.293 0.860 -3.053
50 HB2 ALA 8 2HB ALA 8 -8.489 -0.213 -1.906
51 HB3 ALA 8 3HB ALA 8 -8.003 -0.211 -3.601
52 H ARG 9 H ARG 9 -10.816 -3.090 -4.605
53 HA ARG 9 HA ARG 9 -11.490 -3.429 -6.750
54 HB2 ARG 9 1HB ARG 9 -12.934 -1.409 -6.057
55 HB3 ARG 9 2HB ARG 9 -11.817 -0.453 -7.040
56 HG2 ARG 9 1HG ARG 9 -12.730 -1.126 -8.964
57 HG3 ARG 9 2HG ARG 9 -12.832 -2.810 -8.422
58 HD2 ARG 9 1HD ARG 9 -14.858 -2.334 -7.169
59 HD3 ARG 9 2HD ARG 9 -14.726 -0.618 -7.582
60 HE ARG 9 HE ARG 9 -14.825 -2.240 -9.917
61 HH11 ARG 9 1HH1 ARG 9 -16.792 -0.874 -7.391
62 HH12 ARG 9 2HH1 ARG 9 -18.235 -0.848 -8.349
63 HH21 ARG 9 1HH2 ARG 9 -16.718 -2.211 -11.189
64 HH22 ARG 9 2HH2 ARG 9 -18.192 -1.608 -10.509
65 H GLY 10 H GLY 10 -8.671 -2.864 -6.128
66 HA2 GLY 10 2HA GLY 10 -6.759 -2.927 -7.439
67 HA3 GLY 10 3HA GLY 10 -7.753 -2.592 -8.849
68 H ALA 11 H ALA 11 -8.065 -0.504 -6.125
69 HA ALA 11 HA ALA 11 -7.150 1.739 -7.673
70 HB1 ALA 11 1HB ALA 11 -8.921 2.375 -6.373
71 HB2 ALA 11 2HB ALA 11 -8.424 1.371 -5.009
72 HB3 ALA 11 3HB ALA 11 -7.583 2.884 -5.343
73 H LYS 12 H LYS 12 -5.200 2.656 -7.660
74 HA LYS 12 HA LYS 12 -3.149 1.545 -5.916
75 HB2 LYS 12 1HB LYS 12 -2.909 3.527 -8.192
76 HB3 LYS 12 2HB LYS 12 -1.566 2.729 -7.358
77 HG2 LYS 12 1HG LYS 12 -2.137 0.605 -8.243
78 HG3 LYS 12 2HG LYS 12 -3.693 1.209 -8.839
79 HD2 LYS 12 1HD LYS 12 -2.115 2.899 -10.158
80 HD3 LYS 12 2HD LYS 12 -0.962 1.568 -9.956
81 HE2 LYS 12 1HE LYS 12 -2.160 0.125 -11.285
82 HE3 LYS 12 2HE LYS 12 -3.701 0.913 -10.914
83 HZ1 LYS 12 3HZ LYS 12 -2.084 2.757 -12.261
84 HZ2 LYS 12 1HZ LYS 12 -3.530 2.054 -12.785
85 HZ3 LYS 12 2HZ LYS 12 -2.053 1.310 -13.137
86 H CYS 13 H CYS 13 -1.547 3.037 -4.929
87 HA CYS 13 HA CYS 13 -2.933 5.352 -3.762
88 HB2 CYS 13 1HB CYS 13 -0.792 3.504 -2.762
89 HB3 CYS 13 2HB CYS 13 -0.980 5.113 -2.047
90 HA PRO 14 HA PRO 14 -0.146 8.243 -5.526
91 HB2 PRO 14 1HB PRO 14 0.154 10.060 -3.498
92 HB3 PRO 14 2HB PRO 14 -1.326 9.889 -4.441
93 HG2 PRO 14 1HG PRO 14 -0.634 8.743 -1.756
94 HG3 PRO 14 2HG PRO 14 -2.153 9.554 -2.292
95 HD2 PRO 14 1HD PRO 14 -1.927 6.856 -2.085
96 HD3 PRO 14 2HD PRO 14 -2.928 7.641 -3.319
97 H ASN 15 H ASN 15 1.901 9.636 -4.783
98 HA ASN 15 HA ASN 15 3.932 7.697 -4.172
99 HB2 ASN 15 1HB ASN 15 4.012 10.658 -4.786
100 HB3 ASN 15 2HB ASN 15 5.462 9.717 -4.416
101 HD21 ASN 15 1HD2 ASN 15 6.295 8.329 -5.910
102 HD22 ASN 15 2HD2 ASN 15 5.715 8.219 -7.534
103 H CYS 16 H CYS 16 5.746 8.409 -2.621
104 HA CYS 16 HA CYS 16 6.455 8.817 -0.498
105 HB2 CYS 16 1HB CYS 16 5.420 11.087 -1.068
106 HB3 CYS 16 2HB CYS 16 4.037 10.567 -0.091
107 H LEU 17 H LEU 17 4.052 6.957 -1.268
108 HA LEU 17 HA LEU 17 3.502 6.173 1.508
109 HB2 LEU 17 1HB LEU 17 1.589 7.435 0.324
110 HB3 LEU 17 2HB LEU 17 1.408 5.952 -0.628
111 HG LEU 17 HG LEU 17 1.067 4.720 1.540
112 HD11 LEU 17 1HD1 LEU 17 0.339 6.125 3.460
113 HD12 LEU 17 2HD1 LEU 17 0.954 7.537 2.602
114 HD13 LEU 17 3HD1 LEU 17 2.058 6.251 3.089
115 HD21 LEU 17 3HD2 LEU 17 -0.788 5.330 0.076
116 HD22 LEU 17 1HD2 LEU 17 -0.900 6.905 0.864
117 HD23 LEU 17 2HD2 LEU 17 -1.256 5.437 1.774
118 H CYS 18 H CYS 18 2.824 3.912 1.725
119 HA CYS 18 HA CYS 18 3.865 2.230 -0.460
120 HB2 CYS 18 1HB CYS 18 4.076 1.731 2.515
121 HB3 CYS 18 2HB CYS 18 4.679 0.657 1.243
122 H CYS 19 H CYS 19 2.638 0.550 -1.109
123 HA CYS 19 HA CYS 19 0.043 0.210 0.220
124 HB2 CYS 19 1HB CYS 19 0.071 0.846 -2.180
125 HB3 CYS 19 2HB CYS 19 0.884 -0.686 -2.544
126 H GLY 20 H GLY 20 0.074 -1.380 1.678
127 HA2 GLY 20 2HA GLY 20 1.888 -3.550 1.652
128 HA3 GLY 20 3HA GLY 20 0.451 -3.424 2.655
129 H LYS 21 H LYS 21 1.753 -5.599 0.921
130 HA LYS 21 HA LYS 21 0.300 -6.299 -1.275
131 HB2 LYS 21 1HB LYS 21 2.218 -7.567 -0.258
132 HB3 LYS 21 2HB LYS 21 1.065 -8.254 0.897
133 HG2 LYS 21 1HG LYS 21 -0.239 -8.949 -1.274
134 HG3 LYS 21 2HG LYS 21 1.360 -8.770 -2.020
135 HD2 LYS 21 1HD LYS 21 1.438 -10.251 0.501
136 HD3 LYS 21 2HD LYS 21 0.424 -11.018 -0.735
137 HE2 LYS 21 1HE LYS 21 2.416 -10.618 -2.330
138 HE3 LYS 21 2HE LYS 21 3.349 -10.355 -0.849
139 HZ1 LYS 21 3HZ LYS 21 2.141 -12.820 -1.865
140 HZ2 LYS 21 1HZ LYS 21 2.236 -12.621 -0.189
141 HZ3 LYS 21 2HZ LYS 21 3.643 -12.580 -1.126
142 H TYR 22 H TYR 22 -0.735 -6.375 2.056
143 HA TYR 22 HA TYR 22 -3.142 -7.867 1.486
144 HB2 TYR 22 1HB TYR 22 -2.077 -6.485 3.951
145 HB3 TYR 22 2HB TYR 22 -3.685 -7.213 3.900
146 HD1 TYR 22 1HD TYR 22 -3.910 -9.683 3.451
147 HD2 TYR 22 2HD TYR 22 -0.165 -7.848 4.294
148 HE1 TYR 22 1HE TYR 22 -2.964 -11.883 4.011
149 HE2 TYR 22 2HE TYR 22 0.792 -10.043 4.856
150 HH TYR 22 HH TYR 22 0.042 -12.637 4.051
151 H GLY 23 H GLY 23 -2.870 -5.534 -0.091
152 HA2 GLY 23 2HA GLY 23 -3.983 -3.614 -0.707
153 HA3 GLY 23 3HA GLY 23 -5.385 -4.458 -0.068
154 H PHE 24 H PHE 24 -2.552 -3.209 1.658
155 HA PHE 24 HA PHE 24 -4.318 -1.295 3.027
156 HB2 PHE 24 1HB PHE 24 -3.740 -3.425 4.354
157 HB3 PHE 24 2HB PHE 24 -2.107 -2.763 4.452
158 HD1 PHE 24 1HD PHE 24 -1.854 -0.381 5.400
159 HD2 PHE 24 2HD PHE 24 -5.320 -2.791 5.939
160 HE1 PHE 24 1HE PHE 24 -2.493 0.981 7.347
161 HE2 PHE 24 2HE PHE 24 -5.966 -1.432 7.886
162 HZ PHE 24 HZ PHE 24 -4.553 0.457 8.591
163 H CYS 25 H CYS 25 -3.625 0.610 2.269
164 HA CYS 25 HA CYS 25 -0.797 1.085 1.809
165 HB2 CYS 25 1HB CYS 25 -3.326 2.593 1.246
166 HB3 CYS 25 2HB CYS 25 -1.763 3.424 1.168
167 H GLY 26 H GLY 26 0.523 1.955 3.263
168 HA2 GLY 26 2HA GLY 26 -0.524 3.875 5.203
169 HA3 GLY 26 3HA GLY 26 0.214 2.414 5.844
170 H SER 27 H SER 27 1.740 3.830 6.893
171 HA SER 27 HA SER 27 3.936 4.569 5.086
172 HB2 SER 27 1HB SER 27 2.580 6.586 5.838
173 HB3 SER 27 2HB SER 27 3.157 6.242 7.479
174 HG SER 27 HG SER 27 4.558 7.200 5.266
175 H GLY 28 H GLY 28 5.852 5.324 6.769
176 HA2 GLY 28 2HA GLY 28 7.350 4.641 8.382
177 HA3 GLY 28 3HA GLY 28 6.052 3.718 9.124
178 H ASP 29 H ASP 29 8.717 2.826 8.926
179 HA ASP 29 HA ASP 29 9.172 1.116 6.736
180 HB2 ASP 29 1HB ASP 29 10.196 0.794 9.569
181 HB3 ASP 29 2HB ASP 29 10.901 0.095 8.105
182 HD2 ASP 29 HD ASP 29 11.729 3.834 8.999
183 H ALA 30 H ALA 30 7.027 0.871 9.366
184 HA ALA 30 HA ALA 30 6.899 -1.901 9.758
185 HB1 ALA 30 1HB ALA 30 4.332 -1.087 10.199
186 HB2 ALA 30 2HB ALA 30 5.643 -0.991 11.374
187 HB3 ALA 30 3HB ALA 30 5.231 0.417 10.395
188 H TYR 31 H TYR 31 5.510 0.164 7.296
189 HA TYR 31 HA TYR 31 4.332 -2.222 6.027
190 HB2 TYR 31 1HB TYR 31 3.423 0.663 5.841
191 HB3 TYR 31 2HB TYR 31 2.719 -0.681 4.939
192 HD1 TYR 31 1HD TYR 31 2.406 -2.815 6.818
193 HD2 TYR 31 2HD TYR 31 1.891 1.363 7.441
194 HE1 TYR 31 1HE TYR 31 0.857 -3.288 8.669
195 HE2 TYR 31 2HE TYR 31 0.343 0.901 9.295
196 HH TYR 31 HH TYR 31 -0.105 -2.301 10.562
197 H CYS 32 H CYS 32 6.563 0.343 5.763
198 HA CYS 32 HA CYS 32 6.729 0.207 2.861
199 HB2 CYS 32 1HB CYS 32 8.028 1.878 4.987
200 HB3 CYS 32 2HB CYS 32 8.714 1.826 3.354
201 H GLY 33 H GLY 33 8.288 -1.100 5.660
202 HA2 GLY 33 2HA GLY 33 10.812 -1.722 4.629
203 HA3 GLY 33 3HA GLY 33 9.992 -2.617 5.900
204 H ALA 34 H ALA 34 11.641 -3.888 4.087
205 HA ALA 34 HA ALA 34 10.076 -5.029 1.956
206 HB1 ALA 34 1HB ALA 34 12.836 -5.559 3.015
207 HB2 ALA 34 2HB ALA 34 12.106 -6.556 1.756
208 HB3 ALA 34 3HB ALA 34 12.365 -4.834 1.477
209 H GLY 35 H GLY 35 8.497 -6.427 2.401
210 HA2 GLY 35 2HA GLY 35 8.741 -8.966 3.272
211 HA3 GLY 35 3HA GLY 35 8.580 -8.076 4.779
212 H SER 36 H SER 36 6.819 -6.078 3.386
213 HA SER 36 HA SER 36 4.428 -7.702 2.916
214 HB2 SER 36 1HB SER 36 4.532 -7.052 5.350
215 HB3 SER 36 2HB SER 36 4.433 -5.360 4.830
216 HG SER 36 HG SER 36 2.378 -6.322 5.371
217 H CYS 37 H CYS 37 6.388 -5.649 1.589
218 HA CYS 37 HA CYS 37 4.489 -3.635 0.690
219 HB2 CYS 37 1HB CYS 37 6.914 -3.153 1.249
220 HB3 CYS 37 2HB CYS 37 7.335 -4.006 -0.247
221 H GLN 38 H GLN 38 3.500 -3.608 -1.246
222 HA GLN 38 HA GLN 38 4.223 -5.707 -3.183
223 HB2 GLN 38 1HB GLN 38 2.183 -6.433 -2.232
224 HB3 GLN 38 2HB GLN 38 1.499 -4.801 -2.274
225 HG2 GLN 38 1HG GLN 38 1.428 -4.875 -4.717
226 HG3 GLN 38 2HG GLN 38 2.110 -6.507 -4.677
227 HE21 GLN 38 1HE2 GLN 38 -0.606 -4.637 -3.383
228 HE22 GLN 38 2HE2 GLN 38 -1.763 -5.914 -3.492
229 H SER 39 H SER 39 2.455 -2.631 -2.847
230 HA SER 39 HA SER 39 3.554 -1.830 -5.460
231 HB2 SER 39 1HB SER 39 1.042 -2.445 -5.405
232 HB3 SER 39 2HB SER 39 0.841 -0.928 -4.511
233 HG SER 39 HG SER 39 0.628 -0.818 -6.879
234 H GLN 40 H GLN 40 3.831 0.460 -5.757
235 HA GLN 40 HA GLN 40 4.615 2.496 -5.116
236 HB2 GLN 40 1HB GLN 40 2.545 2.020 -2.969
237 HB3 GLN 40 2HB GLN 40 3.446 3.537 -3.118
238 HG2 GLN 40 1HG GLN 40 1.447 3.975 -4.218
239 HG3 GLN 40 2HG GLN 40 2.584 3.604 -5.522
240 HE21 GLN 40 1HE2 GLN 40 1.514 2.597 -7.063
241 HE22 GLN 40 2HE2 GLN 40 0.416 1.281 -6.845
242 H CYS 41 H CYS 41 6.280 0.449 -4.452
243 HA CYS 41 HA CYS 41 7.056 0.623 -1.680
244 HB2 CYS 41 1HB CYS 41 8.252 -0.748 -4.087
245 HB3 CYS 41 2HB CYS 41 9.007 -0.796 -2.484
246 H ARG 42 H ARG 42 7.198 3.085 -2.054
247 HA ARG 42 HA ARG 42 9.965 3.783 -2.031
248 HB2 ARG 42 1HB ARG 42 9.350 3.653 -4.511
249 HB3 ARG 42 2HB ARG 42 8.356 5.089 -4.218
250 HG2 ARG 42 1HG ARG 42 10.139 6.475 -4.007
251 HG3 ARG 42 2HG ARG 42 11.166 5.210 -3.311
252 HD2 ARG 42 1HD ARG 42 12.091 5.642 -5.436
253 HD3 ARG 42 2HD ARG 42 11.167 4.143 -5.617
254 HE ARG 42 HE ARG 42 9.412 6.121 -6.315
255 HH11 ARG 42 1HH1 ARG 42 12.577 5.130 -7.374
256 HH12 ARG 42 2HH1 ARG 42 12.343 5.666 -9.004
257 HH21 ARG 42 1HH2 ARG 42 9.092 6.832 -8.458
258 HH22 ARG 42 2HH2 ARG 42 10.360 6.636 -9.620
259 H GLY 43 H GLY 43 7.444 3.994 -0.456
260 HA2 GLY 43 2HA GLY 43 6.617 6.710 -0.388
261 HA3 GLY 43 3HA GLY 43 6.343 5.515 0.871
262 H CYS 44 H CYS 44 6.742 7.843 1.894
263 HA CYS 44 HA CYS 44 9.594 8.257 2.382
264 HB2 CYS 44 1HB CYS 44 7.306 9.899 3.460
265 HB3 CYS 44 2HB CYS 44 9.005 10.376 3.303
Start of MODEL 20
1 H1 ALA 1 H ALA 1 -3.584 6.158 7.364
2 HA ALA 1 HA ALA 1 -3.838 4.018 6.585
3 HB1 ALA 1 1HB ALA 1 -6.367 3.511 7.905
4 HB2 ALA 1 2HB ALA 1 -4.769 2.840 8.229
5 HB3 ALA 1 3HB ALA 1 -5.240 4.381 8.945
6 H GLN 2 H GLN 2 -4.336 3.493 4.568
7 HA GLN 2 HA GLN 2 -7.121 3.732 3.687
8 HB2 GLN 2 1HB GLN 2 -6.261 4.486 1.431
9 HB3 GLN 2 2HB GLN 2 -6.151 5.678 2.736
10 HG2 GLN 2 1HG GLN 2 -3.748 4.059 2.541
11 HG3 GLN 2 2HG GLN 2 -4.119 4.906 1.033
12 HE21 GLN 2 1HE2 GLN 2 -4.764 7.260 1.370
13 HE22 GLN 2 2HE2 GLN 2 -3.787 8.163 2.472
14 H ARG 3 H ARG 3 -7.774 2.219 2.147
15 HA ARG 3 HA ARG 3 -6.021 -0.117 1.961
16 HB2 ARG 3 1HB ARG 3 -8.985 0.303 1.663
17 HB3 ARG 3 2HB ARG 3 -8.210 -1.168 1.060
18 HG2 ARG 3 1HG ARG 3 -8.409 -2.052 3.080
19 HG3 ARG 3 2HG ARG 3 -7.260 -0.839 3.670
20 HD2 ARG 3 1HD ARG 3 -10.266 -0.504 3.513
21 HD3 ARG 3 2HD ARG 3 -9.328 -0.828 4.978
22 HE ARG 3 HE ARG 3 -8.283 1.475 3.812
23 HH11 ARG 3 1HH1 ARG 3 -11.253 0.399 5.276
24 HH12 ARG 3 2HH1 ARG 3 -11.688 1.972 5.857
25 HH21 ARG 3 1HH2 ARG 3 -8.845 3.551 4.573
26 HH22 ARG 3 2HH2 ARG 3 -10.319 3.764 5.456
27 H CYS 4 H CYS 4 -5.483 -1.091 0.023
28 HA CYS 4 HA CYS 4 -6.325 0.210 -2.458
29 HB2 CYS 4 1HB CYS 4 -3.895 0.075 -3.232
30 HB3 CYS 4 2HB CYS 4 -4.313 1.379 -2.106
31 H GLY 5 H GLY 5 -4.917 -1.093 -4.306
32 HA2 GLY 5 2HA GLY 5 -4.705 -3.083 -5.433
33 HA3 GLY 5 3HA GLY 5 -4.484 -3.847 -3.866
34 H ASP 6 H ASP 6 -5.700 -5.657 -4.382
35 HA ASP 6 HA ASP 6 -8.236 -5.660 -5.555
36 HB2 ASP 6 1HB ASP 6 -6.832 -7.674 -5.295
37 HB3 ASP 6 2HB ASP 6 -7.119 -7.631 -3.550
38 HD2 ASP 6 HD ASP 6 -10.084 -8.846 -5.887
39 H GLN 7 H GLN 7 -7.243 -4.761 -2.397
40 HA GLN 7 HA GLN 7 -9.822 -5.150 -1.164
41 HB2 GLN 7 1HB GLN 7 -7.207 -3.954 -0.291
42 HB3 GLN 7 2HB GLN 7 -8.672 -3.712 0.674
43 HG2 GLN 7 1HG GLN 7 -7.320 -5.586 1.494
44 HG3 GLN 7 2HG GLN 7 -8.933 -6.088 0.967
45 HE21 GLN 7 1HE2 GLN 7 -8.652 -8.118 0.312
46 HE22 GLN 7 2HE2 GLN 7 -7.516 -8.631 -0.884
47 H ALA 8 H ALA 8 -8.773 -3.022 -3.395
48 HA ALA 8 HA ALA 8 -10.753 -1.026 -2.572
49 HB1 ALA 8 1HB ALA 8 -7.995 -0.294 -3.549
50 HB2 ALA 8 2HB ALA 8 -9.291 0.822 -3.119
51 HB3 ALA 8 3HB ALA 8 -8.545 -0.183 -1.877
52 H ARG 9 H ARG 9 -10.855 -3.147 -4.520
53 HA ARG 9 HA ARG 9 -11.530 -3.523 -6.660
54 HB2 ARG 9 1HB ARG 9 -13.040 -1.570 -5.944
55 HB3 ARG 9 2HB ARG 9 -11.976 -0.560 -6.935
56 HG2 ARG 9 1HG ARG 9 -13.022 -1.156 -8.796
57 HG3 ARG 9 2HG ARG 9 -12.788 -2.872 -8.424
58 HD2 ARG 9 1HD ARG 9 -14.760 -2.414 -6.708
59 HD3 ARG 9 2HD ARG 9 -15.109 -1.104 -7.845
60 HE ARG 9 HE ARG 9 -15.914 -2.660 -9.301
61 HH11 ARG 9 1HH1 ARG 9 -13.794 -4.249 -7.043
62 HH12 ARG 9 2HH1 ARG 9 -14.128 -5.838 -7.647
63 HH21 ARG 9 1HH2 ARG 9 -16.362 -4.748 -10.105
64 HH22 ARG 9 2HH2 ARG 9 -15.588 -6.121 -9.389
65 H GLY 10 H GLY 10 -8.726 -2.904 -6.118
66 HA2 GLY 10 2HA GLY 10 -6.848 -2.905 -7.480
67 HA3 GLY 10 3HA GLY 10 -7.885 -2.557 -8.856
68 H ALA 11 H ALA 11 -8.102 -0.555 -6.042
69 HA ALA 11 HA ALA 11 -7.325 1.756 -7.563
70 HB1 ALA 11 1HB ALA 11 -9.162 1.772 -5.890
71 HB2 ALA 11 2HB ALA 11 -7.952 1.590 -4.620
72 HB3 ALA 11 3HB ALA 11 -7.956 3.033 -5.634
73 H LYS 12 H LYS 12 -5.477 2.926 -7.440
74 HA LYS 12 HA LYS 12 -3.263 1.721 -5.950
75 HB2 LYS 12 1HB LYS 12 -3.358 3.682 -8.248
76 HB3 LYS 12 2HB LYS 12 -1.863 3.261 -7.397
77 HG2 LYS 12 1HG LYS 12 -1.797 1.128 -8.249
78 HG3 LYS 12 2HG LYS 12 -3.549 1.075 -8.517
79 HD2 LYS 12 1HD LYS 12 -3.406 2.016 -10.565
80 HD3 LYS 12 2HD LYS 12 -2.120 3.129 -10.063
81 HE2 LYS 12 1HE LYS 12 -0.717 0.859 -9.971
82 HE3 LYS 12 2HE LYS 12 -1.929 0.380 -11.167
83 HZ1 LYS 12 3HZ LYS 12 0.331 1.709 -11.740
84 HZ2 LYS 12 1HZ LYS 12 -0.775 2.985 -11.629
85 HZ3 LYS 12 2HZ LYS 12 -1.054 1.717 -12.713
86 H CYS 13 H CYS 13 -1.690 3.165 -4.909
87 HA CYS 13 HA CYS 13 -3.066 5.408 -3.596
88 HB2 CYS 13 1HB CYS 13 -0.888 3.530 -2.740
89 HB3 CYS 13 2HB CYS 13 -1.073 5.100 -1.941
90 HA PRO 14 HA PRO 14 -0.340 8.406 -5.277
91 HB2 PRO 14 1HB PRO 14 -0.009 10.124 -3.169
92 HB3 PRO 14 2HB PRO 14 -1.509 9.986 -4.086
93 HG2 PRO 14 1HG PRO 14 -0.749 8.715 -1.478
94 HG3 PRO 14 2HG PRO 14 -2.285 9.538 -1.939
95 HD2 PRO 14 1HD PRO 14 -2.033 6.836 -1.870
96 HD3 PRO 14 2HD PRO 14 -3.068 7.671 -3.042
97 H ASN 15 H ASN 15 1.712 9.778 -4.511
98 HA ASN 15 HA ASN 15 3.768 7.827 -4.033
99 HB2 ASN 15 1HB ASN 15 4.145 10.822 -4.192
100 HB3 ASN 15 2HB ASN 15 5.318 9.554 -4.567
101 HD21 ASN 15 1HD2 ASN 15 2.647 11.394 -5.718
102 HD22 ASN 15 2HD2 ASN 15 2.674 10.819 -7.346
103 H CYS 16 H CYS 16 5.612 8.486 -2.495
104 HA CYS 16 HA CYS 16 6.369 8.810 -0.373
105 HB2 CYS 16 1HB CYS 16 5.313 11.096 -0.827
106 HB3 CYS 16 2HB CYS 16 3.952 10.530 0.156
107 H LEU 17 H LEU 17 3.958 6.970 -1.165
108 HA LEU 17 HA LEU 17 3.468 6.075 1.590
109 HB2 LEU 17 1HB LEU 17 1.526 7.365 0.489
110 HB3 LEU 17 2HB LEU 17 1.337 5.917 -0.514
111 HG LEU 17 HG LEU 17 1.084 4.616 1.651
112 HD11 LEU 17 1HD1 LEU 17 0.523 7.329 2.821
113 HD12 LEU 17 2HD1 LEU 17 2.048 6.474 3.050
114 HD13 LEU 17 3HD1 LEU 17 0.545 5.770 3.646
115 HD21 LEU 17 3HD2 LEU 17 -0.799 5.128 0.197
116 HD22 LEU 17 1HD2 LEU 17 -0.975 6.710 0.956
117 HD23 LEU 17 2HD2 LEU 17 -1.274 5.245 1.892
118 H CYS 18 H CYS 18 2.846 3.805 1.749
119 HA CYS 18 HA CYS 18 3.838 2.213 -0.524
120 HB2 CYS 18 1HB CYS 18 4.122 1.589 2.420
121 HB3 CYS 18 2HB CYS 18 4.733 0.598 1.084
122 H CYS 19 H CYS 19 2.615 0.539 -1.199
123 HA CYS 19 HA CYS 19 0.051 0.136 0.168
124 HB2 CYS 19 1HB CYS 19 0.031 0.813 -2.218
125 HB3 CYS 19 2HB CYS 19 0.865 -0.697 -2.623
126 H GLY 20 H GLY 20 0.127 -1.475 1.603
127 HA2 GLY 20 2HA GLY 20 1.961 -3.624 1.517
128 HA3 GLY 20 3HA GLY 20 0.534 -3.532 2.537
129 H LYS 21 H LYS 21 1.839 -5.665 0.757
130 HA LYS 21 HA LYS 21 0.376 -6.346 -1.438
131 HB2 LYS 21 1HB LYS 21 2.305 -7.623 -0.497
132 HB3 LYS 21 2HB LYS 21 1.207 -8.298 0.716
133 HG2 LYS 21 1HG LYS 21 -0.068 -8.791 -1.705
134 HG3 LYS 21 2HG LYS 21 1.648 -9.100 -2.024
135 HD2 LYS 21 1HD LYS 21 0.884 -11.168 -1.273
136 HD3 LYS 21 2HD LYS 21 1.583 -10.443 0.186
137 HE2 LYS 21 1HE LYS 21 -0.503 -9.977 1.123
138 HE3 LYS 21 2HE LYS 21 -1.321 -10.078 -0.443
139 HZ1 LYS 21 3HZ LYS 21 -0.850 -12.484 -0.445
140 HZ2 LYS 21 1HZ LYS 21 -1.838 -12.012 0.844
141 HZ3 LYS 21 2HZ LYS 21 -0.202 -12.346 1.111
142 H TYR 22 H TYR 22 -0.631 -6.494 1.902
143 HA TYR 22 HA TYR 22 -3.035 -7.988 1.320
144 HB2 TYR 22 1HB TYR 22 -1.981 -6.638 3.809
145 HB3 TYR 22 2HB TYR 22 -3.565 -7.411 3.747
146 HD1 TYR 22 2HD TYR 22 -3.392 -9.885 2.551
147 HD2 TYR 22 1HD TYR 22 -0.351 -7.942 4.805
148 HE1 TYR 22 2HE TYR 22 -2.381 -12.069 3.059
149 HE2 TYR 22 1HE TYR 22 0.669 -10.120 5.318
150 HH TYR 22 HH TYR 22 0.604 -12.312 4.969
151 H GLY 23 H GLY 23 -2.796 -5.626 -0.214
152 HA2 GLY 23 2HA GLY 23 -3.922 -3.697 -0.778
153 HA3 GLY 23 3HA GLY 23 -5.314 -4.565 -0.149
154 H PHE 24 H PHE 24 -2.474 -3.315 1.570
155 HA PHE 24 HA PHE 24 -4.248 -1.455 3.002
156 HB2 PHE 24 1HB PHE 24 -3.619 -3.612 4.271
157 HB3 PHE 24 2HB PHE 24 -2.003 -2.913 4.379
158 HD1 PHE 24 1HD PHE 24 -1.624 -0.810 5.614
159 HD2 PHE 24 2HD PHE 24 -5.390 -2.794 5.642
160 HE1 PHE 24 1HE PHE 24 -2.291 0.490 7.595
161 HE2 PHE 24 2HE PHE 24 -6.063 -1.497 7.621
162 HZ PHE 24 HZ PHE 24 -4.513 0.148 8.600
163 H CYS 25 H CYS 25 -3.585 0.474 2.280
164 HA CYS 25 HA CYS 25 -0.767 0.991 1.798
165 HB2 CYS 25 1HB CYS 25 -3.320 2.482 1.294
166 HB3 CYS 25 2HB CYS 25 -1.767 3.332 1.218
167 H GLY 26 H GLY 26 0.557 1.840 3.259
168 HA2 GLY 26 2HA GLY 26 -0.486 3.711 5.247
169 HA3 GLY 26 3HA GLY 26 0.269 2.243 5.851
170 H SER 27 H SER 27 1.794 3.646 6.916
171 HA SER 27 HA SER 27 3.963 4.448 5.103
172 HB2 SER 27 1HB SER 27 2.602 6.431 5.928
173 HB3 SER 27 2HB SER 27 3.203 6.048 7.551
174 HG SER 27 HG SER 27 4.452 7.631 6.293
175 H GLY 28 H GLY 28 5.895 5.171 6.783
176 HA2 GLY 28 2HA GLY 28 7.422 4.453 8.353
177 HA3 GLY 28 3HA GLY 28 6.138 3.506 9.091
178 H ASP 29 H ASP 29 8.808 2.635 8.827
179 HA ASP 29 HA ASP 29 9.235 0.980 6.592
180 HB2 ASP 29 1HB ASP 29 10.419 1.287 9.295
181 HB3 ASP 29 2HB ASP 29 10.678 -0.272 8.501
182 HD2 ASP 29 HD ASP 29 12.863 1.080 6.198
183 H ALA 30 H ALA 30 7.131 0.662 9.245
184 HA ALA 30 HA ALA 30 7.022 -2.117 9.580
185 HB1 ALA 30 1HB ALA 30 5.968 -0.437 11.080
186 HB2 ALA 30 2HB ALA 30 4.717 -0.196 9.859
187 HB3 ALA 30 3HB ALA 30 4.898 -1.768 10.637
188 H TYR 31 H TYR 31 5.587 -0.010 7.178
189 HA TYR 31 HA TYR 31 4.416 -2.379 5.871
190 HB2 TYR 31 1HB TYR 31 3.472 0.500 5.784
191 HB3 TYR 31 2HB TYR 31 2.783 -0.815 4.830
192 HD1 TYR 31 2HD TYR 31 1.647 -2.731 5.997
193 HD2 TYR 31 1HD TYR 31 2.795 0.819 8.042
194 HE1 TYR 31 2HE TYR 31 0.107 -3.295 7.830
195 HE2 TYR 31 1HE TYR 31 1.260 0.265 9.880
196 HH TYR 31 HH TYR 31 -0.795 -1.091 10.218
197 H CYS 32 H CYS 32 6.616 0.215 5.638
198 HA CYS 32 HA CYS 32 6.746 0.146 2.732
199 HB2 CYS 32 1HB CYS 32 8.054 1.785 4.878
200 HB3 CYS 32 2HB CYS 32 8.721 1.775 3.237
201 H GLY 33 H GLY 33 8.349 -1.213 5.478
202 HA2 GLY 33 2HA GLY 33 10.870 -1.781 4.408
203 HA3 GLY 33 3HA GLY 33 10.072 -2.717 5.662
204 H ALA 34 H ALA 34 11.716 -3.924 3.802
205 HA ALA 34 HA ALA 34 10.144 -5.025 1.656
206 HB1 ALA 34 1HB ALA 34 12.929 -5.038 2.465
207 HB2 ALA 34 2HB ALA 34 12.384 -6.622 1.912
208 HB3 ALA 34 3HB ALA 34 12.215 -5.215 0.861
209 H GLY 35 H GLY 35 8.627 -6.506 2.006
210 HA2 GLY 35 2HA GLY 35 8.875 -9.042 2.819
211 HA3 GLY 35 3HA GLY 35 8.745 -8.208 4.360
212 H SER 36 H SER 36 6.947 -6.172 3.052
213 HA SER 36 HA SER 36 4.550 -7.792 2.599
214 HB2 SER 36 1HB SER 36 4.654 -7.238 5.030
215 HB3 SER 36 2HB SER 36 4.645 -5.519 4.597
216 HG SER 36 HG SER 36 2.569 -5.637 4.377
217 H CYS 37 H CYS 37 6.473 -5.707 1.272
218 HA CYS 37 HA CYS 37 4.552 -3.677 0.465
219 HB2 CYS 37 1HB CYS 37 7.002 -3.224 0.974
220 HB3 CYS 37 2HB CYS 37 7.365 -4.014 -0.571
221 H GLN 38 H GLN 38 3.524 -3.598 -1.453
222 HA GLN 38 HA GLN 38 4.202 -5.651 -3.454
223 HB2 GLN 38 1HB GLN 38 2.167 -6.325 -2.333
224 HB3 GLN 38 2HB GLN 38 1.457 -4.725 -2.593
225 HG2 GLN 38 1HG GLN 38 2.201 -5.646 -5.137
226 HG3 GLN 38 2HG GLN 38 1.448 -7.018 -4.312
227 HE21 GLN 38 1HE2 GLN 38 -0.617 -6.418 -3.111
228 HE22 GLN 38 2HE2 GLN 38 -1.725 -5.405 -3.964
229 H SER 39 H SER 39 2.424 -2.597 -2.994
230 HA SER 39 HA SER 39 3.455 -1.719 -5.610
231 HB2 SER 39 1HB SER 39 0.951 -2.370 -5.524
232 HB3 SER 39 2HB SER 39 0.750 -0.877 -4.589
233 HG SER 39 HG SER 39 2.191 -0.711 -6.969
234 H GLN 40 H GLN 40 3.686 0.585 -5.856
235 HA GLN 40 HA GLN 40 4.453 2.616 -5.179
236 HB2 GLN 40 1HB GLN 40 2.444 2.048 -2.996
237 HB3 GLN 40 2HB GLN 40 3.319 3.583 -3.122
238 HG2 GLN 40 1HG GLN 40 1.275 4.007 -4.157
239 HG3 GLN 40 2HG GLN 40 2.399 3.723 -5.493
240 HE21 GLN 40 1HE2 GLN 40 1.351 2.733 -7.059
241 HE22 GLN 40 2HE2 GLN 40 0.286 1.385 -6.878
242 H CYS 41 H CYS 41 6.143 0.542 -4.592
243 HA CYS 41 HA CYS 41 6.993 0.671 -1.843
244 HB2 CYS 41 1HB CYS 41 8.149 -0.623 -4.310
245 HB3 CYS 41 2HB CYS 41 8.938 -0.706 -2.726
246 H ARG 42 H ARG 42 7.104 3.139 -2.141
247 HA ARG 42 HA ARG 42 9.861 3.869 -2.181
248 HB2 ARG 42 1HB ARG 42 9.176 3.807 -4.643
249 HB3 ARG 42 2HB ARG 42 8.170 5.218 -4.277
250 HG2 ARG 42 1HG ARG 42 9.911 6.618 -4.273
251 HG3 ARG 42 2HG ARG 42 10.917 5.494 -3.343
252 HD2 ARG 42 1HD ARG 42 11.718 4.416 -5.231
253 HD3 ARG 42 2HD ARG 42 10.326 4.900 -6.207
254 HE ARG 42 HE ARG 42 11.709 7.216 -5.502
255 HH11 ARG 42 1HH1 ARG 42 12.193 4.342 -7.406
256 HH12 ARG 42 2HH1 ARG 42 13.275 5.107 -8.522
257 HH21 ARG 42 1HH2 ARG 42 13.132 8.234 -6.965
258 HH22 ARG 42 2HH2 ARG 42 13.808 7.320 -8.271
259 H GLY 43 H GLY 43 7.386 4.002 -0.526
260 HA2 GLY 43 2HA GLY 43 6.547 6.712 -0.348
261 HA3 GLY 43 3HA GLY 43 6.298 5.471 0.871
262 H CYS 44 H CYS 44 6.713 7.754 1.978
263 HA CYS 44 HA CYS 44 9.573 8.162 2.420
264 HB2 CYS 44 1HB CYS 44 7.301 9.747 3.612
265 HB3 CYS 44 2HB CYS 44 8.995 10.239 3.438