NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5597 |
1hp3   |
4923 | cing | recoord | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LEU 1 1HT LEU 1 -16.449 -6.853 -2.036
2 2H LEU 1 2HT LEU 1 -15.447 -7.780 -1.025
3 3H LEU 1 3HT LEU 1 -14.999 -7.493 -2.638
4 HA LEU 1 HA LEU 1 -14.470 -5.282 -2.255
5 1HB LEU 1 2HB LEU 1 -16.685 -5.158 -0.778
6 2HB LEU 1 1HB LEU 1 -15.534 -5.325 0.545
7 HG LEU 1 HG LEU 1 -15.944 -2.951 0.064
8 1HD1 LEU 1 1HD1 LEU 1 -13.666 -2.232 -0.069
9 2HD1 LEU 1 2HD1 LEU 1 -13.194 -3.672 -0.971
10 3HD1 LEU 1 3HD1 LEU 1 -13.639 -3.804 0.731
11 1HD2 LEU 1 1HD2 LEU 1 -16.379 -3.547 -2.457
12 2HD2 LEU 1 2HD2 LEU 1 -14.645 -3.276 -2.627
13 3HD2 LEU 1 3HD2 LEU 1 -15.686 -1.977 -2.046
14 H LEU 2 H LEU 2 -12.315 -5.822 -2.163
15 HA LEU 2 HA LEU 2 -11.170 -6.319 0.518
16 1HB LEU 2 2HB LEU 2 -11.289 -8.316 -1.657
17 2HB LEU 2 1HB LEU 2 -9.682 -8.087 -0.966
18 HG LEU 2 HG LEU 2 -11.957 -8.305 0.947
19 1HD1 LEU 2 1HD1 LEU 2 -12.061 -10.703 0.809
20 2HD1 LEU 2 2HD1 LEU 2 -10.749 -10.751 -0.369
21 3HD1 LEU 2 3HD1 LEU 2 -12.319 -10.088 -0.824
22 1HD2 LEU 2 1HD2 LEU 2 -9.753 -7.992 1.849
23 2HD2 LEU 2 2HD2 LEU 2 -9.078 -9.241 0.802
24 3HD2 LEU 2 3HD2 LEU 2 -10.163 -9.685 2.120
25 H ALA 3 H ALA 3 -9.992 -4.432 0.504
26 HA ALA 3 HA ALA 3 -8.139 -4.002 -1.804
27 1HB ALA 3 1HB ALA 3 -8.243 -1.649 -1.383
28 2HB ALA 3 2HB ALA 3 -9.031 -1.893 0.176
29 3HB ALA 3 3HB ALA 3 -9.911 -2.219 -1.318
30 H CYS 4 H CYS 4 -6.993 -5.744 -0.339
31 HA CYS 4 HA CYS 4 -4.745 -4.495 0.888
32 1HB CYS 4 2HB CYS 4 -6.367 -4.035 2.704
33 2HB CYS 4 1HB CYS 4 -6.721 -5.756 2.815
34 H LEU 5 H LEU 5 -3.575 -5.966 -0.331
35 HA LEU 5 HA LEU 5 -3.852 -8.837 0.473
36 1HB LEU 5 2HB LEU 5 -3.018 -9.392 -1.829
37 2HB LEU 5 1HB LEU 5 -4.594 -8.600 -1.828
38 HG LEU 5 HG LEU 5 -2.207 -6.826 -1.964
39 1HD1 LEU 5 1HD1 LEU 5 -2.082 -7.155 -4.436
40 2HD1 LEU 5 2HD1 LEU 5 -3.160 -8.541 -4.278
41 3HD1 LEU 5 3HD1 LEU 5 -1.561 -8.579 -3.536
42 1HD2 LEU 5 1HD2 LEU 5 -3.708 -5.377 -2.934
43 2HD2 LEU 5 2HD2 LEU 5 -4.867 -6.403 -2.088
44 3HD2 LEU 5 3HD2 LEU 5 -4.545 -6.663 -3.803
45 H PHE 6 H PHE 6 -2.111 -6.654 1.554
46 HA PHE 6 HA PHE 6 0.514 -7.973 1.004
47 1HB PHE 6 2HB PHE 6 -0.251 -5.206 0.625
48 2HB PHE 6 1HB PHE 6 1.016 -5.309 1.846
49 HD1 PHE 6 1HD PHE 6 0.120 -6.178 -1.650
50 HD2 PHE 6 2HD PHE 6 3.258 -5.955 1.275
51 HE1 PHE 6 1HE PHE 6 1.805 -6.551 -3.430
52 HE2 PHE 6 2HE PHE 6 4.943 -6.328 -0.506
53 HZ PHE 6 HZ PHE 6 4.217 -6.626 -2.859
54 H GLY 7 H GLY 7 -0.521 -5.432 3.288
55 1HA GLY 7 2HA GLY 7 -0.745 -5.559 5.648
56 2HA GLY 7 1HA GLY 7 -0.370 -7.281 5.563
57 H ASN 8 H ASN 8 1.647 -4.845 4.040
58 HA ASN 8 HA ASN 8 3.645 -5.072 6.233
59 1HB ASN 8 2HB ASN 8 4.106 -5.747 3.317
60 2HB ASN 8 1HB ASN 8 5.421 -5.409 4.444
61 1HD2 ASN 8 1HD2 ASN 8 5.336 -6.815 6.539
62 2HD2 ASN 8 2HD2 ASN 8 4.853 -8.430 6.352
63 H GLY 9 H GLY 9 5.679 -3.609 5.267
64 1HA GLY 9 2HA GLY 9 4.389 -1.017 4.515
65 2HA GLY 9 1HA GLY 9 5.830 -1.139 5.524
66 H ARG 10 H ARG 10 5.570 -3.249 2.766
67 HA ARG 10 HA ARG 10 7.463 -1.490 1.260
68 1HB ARG 10 2HB ARG 10 8.565 -3.613 0.473
69 2HB ARG 10 1HB ARG 10 8.759 -3.312 2.199
70 1HG ARG 10 2HG ARG 10 6.982 -4.874 2.733
71 2HG ARG 10 1HG ARG 10 6.595 -5.080 1.025
72 1HD ARG 10 2HD ARG 10 7.959 -6.905 1.239
73 2HD ARG 10 1HD ARG 10 9.223 -5.706 0.963
74 HE ARG 10 HE ARG 10 8.796 -5.684 3.722
75 1HH1 ARG 10 1HH2 ARG 10 9.693 -8.066 1.321
76 2HH1 ARG 10 2HH2 ARG 10 10.620 -8.997 2.446
77 1HH2 ARG 10 1HH1 ARG 10 10.006 -6.919 5.142
78 2HH2 ARG 10 2HH1 ARG 10 10.796 -8.357 4.586
79 H CYS 11 H CYS 11 6.958 -1.235 -0.901
80 HA CYS 11 HA CYS 11 5.089 -3.130 -2.195
81 1HB CYS 11 2HB CYS 11 3.686 -1.142 -2.987
82 2HB CYS 11 1HB CYS 11 3.471 -1.623 -1.311
83 H SER 12 H SER 12 4.577 -2.149 -4.488
84 HA SER 12 HA SER 12 7.063 -0.956 -5.632
85 1HB SER 12 2HB SER 12 6.995 -3.399 -6.088
86 2HB SER 12 1HB SER 12 5.421 -3.194 -6.854
87 HG SER 12 HG SER 12 7.874 -1.986 -7.632
88 H SER 13 H SER 13 3.970 -0.299 -5.008
89 HA SER 13 HA SER 13 3.689 1.774 -6.916
90 1HB SER 13 2HB SER 13 3.285 0.221 -8.649
91 2HB SER 13 1HB SER 13 2.375 -0.856 -7.596
92 HG SER 13 HG SER 13 1.234 0.661 -9.159
93 H ASN 14 H ASN 14 1.455 2.759 -6.728
94 HA ASN 14 HA ASN 14 0.628 2.930 -4.019
95 1HB ASN 14 2HB ASN 14 -0.602 3.764 -6.628
96 2HB ASN 14 1HB ASN 14 -1.512 3.942 -5.129
97 1HD2 ASN 14 1HD2 ASN 14 -1.354 6.307 -5.224
98 2HD2 ASN 14 2HD2 ASN 14 0.111 7.100 -4.897
99 H ARG 15 H ARG 15 -0.776 1.075 -6.725
100 HA ARG 15 HA ARG 15 -2.967 0.042 -5.158
101 1HB ARG 15 2HB ARG 15 -2.018 -0.157 -7.874
102 2HB ARG 15 1HB ARG 15 -2.474 -1.750 -7.276
103 1HG ARG 15 2HG ARG 15 -4.678 -0.918 -6.632
104 2HG ARG 15 1HG ARG 15 -4.226 0.720 -7.105
105 1HD ARG 15 2HD ARG 15 -4.022 0.068 -9.423
106 2HD ARG 15 1HD ARG 15 -4.237 -1.634 -9.012
107 HE ARG 15 HE ARG 15 -6.486 0.005 -8.166
108 1HH1 ARG 15 1HH2 ARG 15 -5.056 -1.717 -10.853
109 2HH1 ARG 15 2HH2 ARG 15 -6.574 -1.933 -11.652
110 1HH2 ARG 15 1HH1 ARG 15 -8.428 -0.299 -9.234
111 2HH2 ARG 15 2HH1 ARG 15 -8.463 -1.141 -10.747
112 H ASP 16 H ASP 16 0.323 -0.712 -5.100
113 HA ASP 16 HA ASP 16 0.013 -3.553 -4.473
114 1HB ASP 16 2HB ASP 16 2.202 -1.660 -4.920
115 2HB ASP 16 1HB ASP 16 2.531 -2.769 -3.591
116 H CYS 17 H CYS 17 -0.730 -0.797 -2.746
117 HA CYS 17 HA CYS 17 0.187 -1.912 -0.148
118 1HB CYS 17 2HB CYS 17 -0.955 0.784 -0.914
119 2HB CYS 17 1HB CYS 17 -0.577 0.311 0.741
120 H CYS 18 H CYS 18 -1.631 -1.174 1.636
121 HA CYS 18 HA CYS 18 -4.029 -2.712 0.855
122 1HB CYS 18 2HB CYS 18 -2.662 -2.007 3.417
123 2HB CYS 18 1HB CYS 18 -4.361 -2.421 3.451
124 H GLU 19 H GLU 19 -5.999 -1.815 2.373
125 HA GLU 19 HA GLU 19 -6.837 0.635 1.171
126 1HB GLU 19 2HB GLU 19 -8.108 -1.378 2.465
127 2HB GLU 19 1HB GLU 19 -8.093 -0.158 3.735
128 1HG GLU 19 2HG GLU 19 -9.192 1.449 2.297
129 2HG GLU 19 1HG GLU 19 -9.054 0.368 0.910
130 H LEU 20 H LEU 20 -5.727 -0.109 4.453
131 HA LEU 20 HA LEU 20 -5.933 2.508 5.532
132 1HB LEU 20 2HB LEU 20 -4.173 1.741 7.156
133 2HB LEU 20 1HB LEU 20 -5.536 0.633 7.003
134 HG LEU 20 HG LEU 20 -3.390 0.090 5.064
135 1HD1 LEU 20 1HD1 LEU 20 -2.097 0.914 7.080
136 2HD1 LEU 20 2HD1 LEU 20 -1.758 -0.754 6.620
137 3HD1 LEU 20 3HD1 LEU 20 -2.809 -0.415 7.995
138 1HD2 LEU 20 1HD2 LEU 20 -5.504 -1.273 6.055
139 2HD2 LEU 20 2HD2 LEU 20 -4.247 -1.867 7.139
140 3HD2 LEU 20 3HD2 LEU 20 -4.079 -2.077 5.397
141 H THR 21 H THR 21 -3.676 1.210 3.255
142 HA THR 21 HA THR 21 -2.142 3.769 3.373
143 HB THR 21 HB THR 21 -0.161 2.339 2.581
144 HG1 THR 21 1HG THR 21 -1.766 0.298 3.717
145 1HG2 THR 21 1HG2 THR 21 -1.322 2.015 5.358
146 2HG2 THR 21 2HG2 THR 21 -0.188 3.252 4.816
147 3HG2 THR 21 3HG2 THR 21 0.330 1.570 4.928
148 HA PRO 22 HA PRO 22 -3.632 3.184 -0.918
149 1HB PRO 22 2HB PRO 22 -4.505 5.746 -1.256
150 2HB PRO 22 1HB PRO 22 -5.471 4.484 -0.479
151 1HG PRO 22 2HG PRO 22 -4.203 6.836 0.712
152 2HG PRO 22 1HG PRO 22 -5.473 5.794 1.366
153 1HD PRO 22 2HD PRO 22 -2.639 5.773 1.979
154 2HD PRO 22 1HD PRO 22 -3.932 4.801 2.714
155 H VAL 23 H VAL 23 -0.934 4.521 0.340
156 HA VAL 23 HA VAL 23 -0.091 5.620 -2.315
157 HB VAL 23 HB VAL 23 0.824 6.632 0.393
158 1HG1 VAL 23 1HG1 VAL 23 2.564 7.152 -1.059
159 2HG1 VAL 23 2HG1 VAL 23 1.529 8.564 -1.279
160 3HG1 VAL 23 3HG1 VAL 23 1.500 7.255 -2.461
161 1HG2 VAL 23 1HG2 VAL 23 -1.076 7.865 -1.620
162 2HG2 VAL 23 2HG2 VAL 23 -0.501 8.639 -0.143
163 3HG2 VAL 23 3HG2 VAL 23 -1.531 7.210 -0.048
164 H CYS 24 H CYS 24 2.039 5.196 -2.906
165 HA CYS 24 HA CYS 24 3.593 3.356 -1.158
166 1HB CYS 24 2HB CYS 24 2.372 1.968 -2.778
167 2HB CYS 24 1HB CYS 24 2.976 2.958 -4.101
168 H LYS 25 H LYS 25 4.993 5.124 -0.729
169 HA LYS 25 HA LYS 25 6.497 6.136 -3.117
170 1HB LYS 25 2HB LYS 25 5.298 7.896 -1.864
171 2HB LYS 25 1HB LYS 25 6.210 7.476 -0.420
172 1HG LYS 25 2HG LYS 25 8.292 8.099 -1.486
173 2HG LYS 25 1HG LYS 25 7.480 8.329 -3.035
174 1HD LYS 25 2HD LYS 25 6.799 9.913 -0.544
175 2HD LYS 25 1HD LYS 25 7.936 10.471 -1.774
176 1HE LYS 25 2HE LYS 25 6.027 10.038 -3.461
177 2HE LYS 25 1HE LYS 25 4.971 9.981 -2.049
178 1HZ LYS 25 1HZ LYS 25 6.024 12.183 -1.427
179 2HZ LYS 25 2HZ LYS 25 4.946 12.196 -2.740
180 3HZ LYS 25 3HZ LYS 25 6.623 12.237 -3.012
181 H ARG 26 H ARG 26 8.692 6.133 -3.053
182 HA ARG 26 HA ARG 26 10.825 5.306 -2.512
183 1HB ARG 26 2HB ARG 26 10.135 6.790 -0.432
184 2HB ARG 26 1HB ARG 26 10.051 5.228 0.382
185 1HG ARG 26 2HG ARG 26 12.340 4.740 -0.120
186 2HG ARG 26 1HG ARG 26 12.450 6.099 -1.238
187 1HD ARG 26 2HD ARG 26 13.509 6.595 0.965
188 2HD ARG 26 1HD ARG 26 12.168 7.683 0.601
189 HE ARG 26 HE ARG 26 11.261 5.390 2.106
190 1HH1 ARG 26 1HH2 ARG 26 12.915 8.459 2.398
191 2HH1 ARG 26 2HH2 ARG 26 12.451 8.665 4.051
192 1HH2 ARG 26 1HH1 ARG 26 10.685 5.699 4.246
193 2HH2 ARG 26 2HH1 ARG 26 11.204 7.121 5.088
194 H GLY 27 H GLY 27 8.516 3.447 -2.923
195 1HA GLY 27 2HA GLY 27 8.154 1.130 -2.856
196 2HA GLY 27 1HA GLY 27 9.822 0.975 -2.301
197 H SER 28 H SER 28 7.373 2.879 -0.632
198 HA SER 28 HA SER 28 7.128 0.793 1.457
199 1HB SER 28 2HB SER 28 8.185 3.594 1.823
200 2HB SER 28 1HB SER 28 7.402 2.741 3.149
201 HG SER 28 HG SER 28 9.701 1.975 1.673
202 H CYS 29 H CYS 29 5.055 0.613 2.039
203 HA CYS 29 HA CYS 29 3.000 2.261 0.894
204 1HB CYS 29 2HB CYS 29 2.976 0.163 3.076
205 2HB CYS 29 1HB CYS 29 1.512 0.982 2.530
206 H VAL 30 H VAL 30 1.747 3.869 1.828
207 HA VAL 30 HA VAL 30 2.174 4.627 4.641
208 HB VAL 30 HB VAL 30 2.693 6.992 4.020
209 1HG1 VAL 30 1HG1 VAL 30 4.721 5.109 2.801
210 2HG1 VAL 30 2HG1 VAL 30 4.444 5.192 4.541
211 3HG1 VAL 30 3HG1 VAL 30 5.019 6.613 3.671
212 1HG2 VAL 30 1HG2 VAL 30 2.544 5.770 1.288
213 2HG2 VAL 30 2HG2 VAL 30 3.722 7.052 1.565
214 3HG2 VAL 30 3HG2 VAL 30 2.007 7.358 1.835
215 H SER 31 H SER 31 0.570 6.248 5.331
216 HA SER 31 HA SER 31 -1.955 5.935 3.819
217 1HB SER 31 2HB SER 31 -1.828 5.500 6.303
218 2HB SER 31 1HB SER 31 -1.516 7.219 6.530
219 HG SER 31 HG SER 31 -3.836 6.076 6.355
220 H SER 32 H SER 32 -0.201 7.595 2.480
221 HA SER 32 HA SER 32 -0.070 9.719 1.498
222 1HB SER 32 2HB SER 32 -2.700 9.235 1.723
223 2HB SER 32 1HB SER 32 -2.592 10.605 2.824
224 HG SER 32 HG SER 32 -2.356 11.852 1.156
Start of MODEL 2
1 1H LEU 1 1HT LEU 1 -12.571 -8.165 -6.545
2 2H LEU 1 2HT LEU 1 -11.343 -8.221 -7.719
3 3H LEU 1 3HT LEU 1 -11.680 -6.768 -6.905
4 HA LEU 1 HA LEU 1 -10.705 -9.221 -5.553
5 1HB LEU 1 2HB LEU 1 -9.264 -6.904 -6.820
6 2HB LEU 1 1HB LEU 1 -8.579 -7.690 -5.397
7 HG LEU 1 HG LEU 1 -9.182 -9.882 -6.838
8 1HD1 LEU 1 1HD1 LEU 1 -8.231 -9.053 -9.216
9 2HD1 LEU 1 2HD1 LEU 1 -9.087 -7.587 -8.734
10 3HD1 LEU 1 3HD1 LEU 1 -9.957 -9.117 -8.860
11 1HD2 LEU 1 1HD2 LEU 1 -6.692 -8.356 -7.570
12 2HD2 LEU 1 2HD2 LEU 1 -6.875 -10.074 -7.220
13 3HD2 LEU 1 3HD2 LEU 1 -6.937 -8.897 -5.908
14 H LEU 2 H LEU 2 -9.312 -8.066 -3.585
15 HA LEU 2 HA LEU 2 -11.374 -6.517 -2.120
16 1HB LEU 2 2HB LEU 2 -9.895 -8.681 -1.355
17 2HB LEU 2 1HB LEU 2 -8.899 -7.368 -0.727
18 HG LEU 2 HG LEU 2 -11.262 -6.458 0.108
19 1HD1 LEU 2 1HD1 LEU 2 -11.698 -9.423 0.388
20 2HD1 LEU 2 2HD1 LEU 2 -12.281 -8.574 -1.043
21 3HD1 LEU 2 3HD1 LEU 2 -12.865 -8.111 0.555
22 1HD2 LEU 2 1HD2 LEU 2 -9.765 -6.759 1.830
23 2HD2 LEU 2 2HD2 LEU 2 -9.290 -8.364 1.275
24 3HD2 LEU 2 3HD2 LEU 2 -10.801 -8.148 2.160
25 H ALA 3 H ALA 3 -9.554 -5.316 -0.252
26 HA ALA 3 HA ALA 3 -8.031 -3.428 -1.997
27 1HB ALA 3 1HB ALA 3 -9.313 -2.398 0.495
28 2HB ALA 3 2HB ALA 3 -10.357 -2.689 -0.896
29 3HB ALA 3 3HB ALA 3 -9.000 -1.570 -1.030
30 H CYS 4 H CYS 4 -6.983 -5.688 -0.563
31 HA CYS 4 HA CYS 4 -4.787 -4.478 0.785
32 1HB CYS 4 2HB CYS 4 -6.466 -4.045 2.553
33 2HB CYS 4 1HB CYS 4 -6.840 -5.765 2.612
34 H LEU 5 H LEU 5 -3.597 -5.941 -0.450
35 HA LEU 5 HA LEU 5 -3.895 -8.817 0.327
36 1HB LEU 5 2HB LEU 5 -3.033 -9.364 -1.959
37 2HB LEU 5 1HB LEU 5 -4.596 -8.548 -1.988
38 HG LEU 5 HG LEU 5 -2.198 -6.792 -2.057
39 1HD1 LEU 5 1HD1 LEU 5 -2.207 -7.166 -4.629
40 2HD1 LEU 5 2HD1 LEU 5 -2.952 -8.720 -4.250
41 3HD1 LEU 5 3HD1 LEU 5 -1.349 -8.336 -3.626
42 1HD2 LEU 5 1HD2 LEU 5 -4.679 -6.808 -3.792
43 2HD2 LEU 5 2HD2 LEU 5 -3.617 -5.447 -3.432
44 3HD2 LEU 5 3HD2 LEU 5 -4.665 -6.105 -2.176
45 H PHE 6 H PHE 6 -2.172 -6.628 1.445
46 HA PHE 6 HA PHE 6 0.458 -7.964 0.968
47 1HB PHE 6 2HB PHE 6 -0.281 -5.201 0.512
48 2HB PHE 6 1HB PHE 6 0.962 -5.286 1.759
49 HD1 PHE 6 1HD PHE 6 0.141 -6.077 -1.755
50 HD2 PHE 6 2HD PHE 6 3.195 -6.105 1.265
51 HE1 PHE 6 1HE PHE 6 1.857 -6.497 -3.495
52 HE2 PHE 6 2HE PHE 6 4.912 -6.525 -0.474
53 HZ PHE 6 HZ PHE 6 4.242 -6.721 -2.855
54 H GLY 7 H GLY 7 -0.574 -5.353 3.170
55 1HA GLY 7 2HA GLY 7 -0.858 -5.425 5.527
56 2HA GLY 7 1HA GLY 7 -0.500 -7.151 5.490
57 H ASN 8 H ASN 8 1.583 -4.787 3.945
58 HA ASN 8 HA ASN 8 3.521 -4.952 6.196
59 1HB ASN 8 2HB ASN 8 3.824 -6.700 4.191
60 2HB ASN 8 1HB ASN 8 4.598 -5.308 3.432
61 1HD2 ASN 8 1HD2 ASN 8 6.819 -5.712 3.677
62 2HD2 ASN 8 2HD2 ASN 8 7.568 -6.080 5.155
63 H GLY 9 H GLY 9 5.566 -3.517 5.380
64 1HA GLY 9 2HA GLY 9 4.357 -0.962 4.422
65 2HA GLY 9 1HA GLY 9 5.777 -1.068 5.461
66 H ARG 10 H ARG 10 5.540 -3.291 2.796
67 HA ARG 10 HA ARG 10 7.530 -1.649 1.276
68 1HB ARG 10 2HB ARG 10 7.424 -4.677 1.470
69 2HB ARG 10 1HB ARG 10 8.641 -3.722 0.621
70 1HG ARG 10 2HG ARG 10 8.859 -2.584 3.039
71 2HG ARG 10 1HG ARG 10 8.287 -4.173 3.547
72 1HD ARG 10 2HD ARG 10 10.116 -5.276 2.443
73 2HD ARG 10 1HD ARG 10 10.605 -3.783 1.639
74 HE ARG 10 HE ARG 10 11.713 -3.143 3.615
75 1HH1 ARG 10 1HH2 ARG 10 9.465 -5.738 4.283
76 2HH1 ARG 10 2HH2 ARG 10 10.014 -5.927 5.911
77 1HH2 ARG 10 1HH1 ARG 10 12.393 -3.425 5.727
78 2HH2 ARG 10 2HH1 ARG 10 11.653 -4.634 6.722
79 H CYS 11 H CYS 11 6.979 -1.291 -0.848
80 HA CYS 11 HA CYS 11 5.096 -3.138 -2.193
81 1HB CYS 11 2HB CYS 11 3.698 -1.140 -2.931
82 2HB CYS 11 1HB CYS 11 3.505 -1.625 -1.253
83 H SER 12 H SER 12 4.590 -2.097 -4.456
84 HA SER 12 HA SER 12 7.061 -0.864 -5.581
85 1HB SER 12 2HB SER 12 7.212 -3.206 -6.153
86 2HB SER 12 1HB SER 12 5.524 -3.244 -6.655
87 HG SER 12 HG SER 12 6.157 -2.578 -8.534
88 H SER 13 H SER 13 3.964 -0.270 -4.962
89 HA SER 13 HA SER 13 3.638 1.796 -6.871
90 1HB SER 13 2HB SER 13 3.257 0.227 -8.598
91 2HB SER 13 1HB SER 13 2.364 -0.858 -7.538
92 HG SER 13 HG SER 13 1.260 0.740 -9.126
93 H ASN 14 H ASN 14 1.372 2.726 -6.683
94 HA ASN 14 HA ASN 14 0.561 2.899 -3.969
95 1HB ASN 14 2HB ASN 14 -0.547 3.782 -6.585
96 2HB ASN 14 1HB ASN 14 -1.671 3.732 -5.226
97 1HD2 ASN 14 1HD2 ASN 14 -1.818 5.902 -4.569
98 2HD2 ASN 14 2HD2 ASN 14 -0.482 6.882 -4.196
99 H ARG 15 H ARG 15 -0.817 0.983 -6.648
100 HA ARG 15 HA ARG 15 -2.961 -0.097 -5.050
101 1HB ARG 15 2HB ARG 15 -1.999 -0.332 -7.774
102 2HB ARG 15 1HB ARG 15 -2.495 -1.898 -7.139
103 1HG ARG 15 2HG ARG 15 -4.663 -0.893 -6.437
104 2HG ARG 15 1HG ARG 15 -4.165 0.634 -7.167
105 1HD ARG 15 2HD ARG 15 -3.953 -0.488 -9.360
106 2HD ARG 15 1HD ARG 15 -4.473 -2.006 -8.629
107 HE ARG 15 HE ARG 15 -6.462 -0.090 -8.037
108 1HH1 ARG 15 1HH2 ARG 15 -5.073 -1.641 -10.847
109 2HH1 ARG 15 2HH2 ARG 15 -6.535 -1.516 -11.762
110 1HH2 ARG 15 1HH1 ARG 15 -8.331 0.052 -9.257
111 2HH2 ARG 15 2HH1 ARG 15 -8.361 -0.569 -10.875
112 H ASP 16 H ASP 16 0.353 -0.777 -5.060
113 HA ASP 16 HA ASP 16 0.139 -3.614 -4.407
114 1HB ASP 16 2HB ASP 16 2.264 -1.635 -4.832
115 2HB ASP 16 1HB ASP 16 2.626 -2.757 -3.523
116 H CYS 17 H CYS 17 -0.674 -0.864 -2.679
117 HA CYS 17 HA CYS 17 0.239 -1.982 -0.079
118 1HB CYS 17 2HB CYS 17 -0.916 0.715 -0.831
119 2HB CYS 17 1HB CYS 17 -0.504 0.236 0.815
120 H CYS 18 H CYS 18 -1.625 -1.187 1.678
121 HA CYS 18 HA CYS 18 -4.018 -2.722 0.851
122 1HB CYS 18 2HB CYS 18 -2.634 -2.140 3.425
123 2HB CYS 18 1HB CYS 18 -4.350 -2.471 3.466
124 H GLU 19 H GLU 19 -5.979 -1.846 2.407
125 HA GLU 19 HA GLU 19 -6.814 0.627 1.263
126 1HB GLU 19 2HB GLU 19 -8.087 -1.380 2.548
127 2HB GLU 19 1HB GLU 19 -8.013 -0.195 3.850
128 1HG GLU 19 2HG GLU 19 -8.829 1.461 1.945
129 2HG GLU 19 1HG GLU 19 -9.430 -0.028 1.217
130 H LEU 20 H LEU 20 -5.691 -0.148 4.536
131 HA LEU 20 HA LEU 20 -5.835 2.458 5.632
132 1HB LEU 20 2HB LEU 20 -4.027 1.657 7.206
133 2HB LEU 20 1HB LEU 20 -5.433 0.598 7.104
134 HG LEU 20 HG LEU 20 -3.359 -0.020 5.105
135 1HD1 LEU 20 1HD1 LEU 20 -1.748 -0.966 6.644
136 2HD1 LEU 20 2HD1 LEU 20 -2.745 -0.522 8.031
137 3HD1 LEU 20 3HD1 LEU 20 -1.970 0.733 7.064
138 1HD2 LEU 20 1HD2 LEU 20 -4.145 -2.152 5.426
139 2HD2 LEU 20 2HD2 LEU 20 -5.507 -1.301 6.154
140 3HD2 LEU 20 3HD2 LEU 20 -4.234 -1.965 7.178
141 H THR 21 H THR 21 -3.606 1.142 3.337
142 HA THR 21 HA THR 21 -2.070 3.702 3.418
143 HB THR 21 HB THR 21 -0.103 2.247 2.600
144 HG1 THR 21 1HG THR 21 -0.289 0.130 2.820
145 1HG2 THR 21 1HG2 THR 21 -0.808 1.462 5.390
146 2HG2 THR 21 2HG2 THR 21 -0.714 3.186 5.027
147 3HG2 THR 21 3HG2 THR 21 0.689 2.151 4.760
148 HA PRO 22 HA PRO 22 -3.598 3.081 -0.854
149 1HB PRO 22 2HB PRO 22 -4.484 5.637 -1.203
150 2HB PRO 22 1HB PRO 22 -5.436 4.378 -0.404
151 1HG PRO 22 2HG PRO 22 -4.164 6.746 0.750
152 2HG PRO 22 1HG PRO 22 -5.417 5.700 1.432
153 1HD PRO 22 2HD PRO 22 -2.570 5.700 1.998
154 2HD PRO 22 1HD PRO 22 -3.849 4.735 2.770
155 H VAL 23 H VAL 23 -0.901 4.486 0.373
156 HA VAL 23 HA VAL 23 -0.093 5.537 -2.312
157 HB VAL 23 HB VAL 23 0.815 6.618 0.372
158 1HG1 VAL 23 1HG1 VAL 23 1.512 7.162 -2.488
159 2HG1 VAL 23 2HG1 VAL 23 2.554 7.150 -1.065
160 3HG1 VAL 23 3HG1 VAL 23 1.485 8.521 -1.364
161 1HG2 VAL 23 1HG2 VAL 23 -0.992 7.923 -1.672
162 2HG2 VAL 23 2HG2 VAL 23 -0.583 8.524 -0.065
163 3HG2 VAL 23 3HG2 VAL 23 -1.593 7.090 -0.239
164 H CYS 24 H CYS 24 2.066 5.171 -2.889
165 HA CYS 24 HA CYS 24 3.642 3.357 -1.135
166 1HB CYS 24 2HB CYS 24 2.430 1.947 -2.744
167 2HB CYS 24 1HB CYS 24 3.033 2.929 -4.074
168 H LYS 25 H LYS 25 5.006 5.162 -0.726
169 HA LYS 25 HA LYS 25 6.489 6.186 -3.121
170 1HB LYS 25 2HB LYS 25 5.296 7.909 -1.806
171 2HB LYS 25 1HB LYS 25 6.252 7.477 -0.398
172 1HG LYS 25 2HG LYS 25 7.836 8.919 -1.094
173 2HG LYS 25 1HG LYS 25 8.101 7.892 -2.500
174 1HD LYS 25 2HD LYS 25 7.592 10.024 -3.407
175 2HD LYS 25 1HD LYS 25 6.091 9.110 -3.554
176 1HE LYS 25 2HE LYS 25 5.407 11.177 -2.634
177 2HE LYS 25 1HE LYS 25 5.491 10.098 -1.240
178 1HZ LYS 25 1HZ LYS 25 6.661 11.915 -0.510
179 2HZ LYS 25 2HZ LYS 25 7.326 12.253 -2.037
180 3HZ LYS 25 3HZ LYS 25 7.916 10.951 -1.119
181 H ARG 26 H ARG 26 8.669 6.118 -3.125
182 HA ARG 26 HA ARG 26 10.812 5.283 -2.627
183 1HB ARG 26 2HB ARG 26 10.234 6.816 -0.568
184 2HB ARG 26 1HB ARG 26 10.083 5.281 0.288
185 1HG ARG 26 2HG ARG 26 12.357 4.651 -0.415
186 2HG ARG 26 1HG ARG 26 12.512 6.175 -1.290
187 1HD ARG 26 2HD ARG 26 12.753 7.416 0.632
188 2HD ARG 26 1HD ARG 26 11.723 6.341 1.578
189 HE ARG 26 HE ARG 26 13.655 5.164 2.203
190 1HH1 ARG 26 1HH2 ARG 26 14.271 6.962 -0.733
191 2HH1 ARG 26 2HH2 ARG 26 15.943 6.525 -0.768
192 1HH2 ARG 26 1HH1 ARG 26 15.825 4.626 2.119
193 2HH2 ARG 26 2HH1 ARG 26 16.816 5.219 0.829
194 H GLY 27 H GLY 27 8.484 3.443 -2.959
195 1HA GLY 27 2HA GLY 27 8.108 1.129 -2.855
196 2HA GLY 27 1HA GLY 27 9.781 0.968 -2.318
197 H SER 28 H SER 28 7.372 2.922 -0.647
198 HA SER 28 HA SER 28 7.149 0.869 1.481
199 1HB SER 28 2HB SER 28 8.047 3.738 1.872
200 2HB SER 28 1HB SER 28 7.527 2.688 3.187
201 HG SER 28 HG SER 28 9.749 2.541 2.985
202 H CYS 29 H CYS 29 5.072 0.674 2.037
203 HA CYS 29 HA CYS 29 3.006 2.312 0.911
204 1HB CYS 29 2HB CYS 29 2.986 0.261 3.139
205 2HB CYS 29 1HB CYS 29 1.524 1.041 2.536
206 H VAL 30 H VAL 30 1.754 3.923 1.837
207 HA VAL 30 HA VAL 30 2.200 4.713 4.638
208 HB VAL 30 HB VAL 30 2.698 7.076 3.989
209 1HG1 VAL 30 1HG1 VAL 30 5.012 6.711 3.707
210 2HG1 VAL 30 2HG1 VAL 30 4.755 5.256 2.743
211 3HG1 VAL 30 3HG1 VAL 30 4.451 5.227 4.480
212 1HG2 VAL 30 1HG2 VAL 30 3.731 7.053 1.507
213 2HG2 VAL 30 2HG2 VAL 30 2.044 7.464 1.815
214 3HG2 VAL 30 3HG2 VAL 30 2.472 5.839 1.284
215 H SER 31 H SER 31 0.604 6.365 5.310
216 HA SER 31 HA SER 31 -1.942 5.993 3.849
217 1HB SER 31 2HB SER 31 -1.445 5.841 6.479
218 2HB SER 31 1HB SER 31 -1.800 7.563 6.381
219 HG SER 31 HG SER 31 -3.793 7.079 5.518
220 H SER 32 H SER 32 -0.204 7.636 2.446
221 HA SER 32 HA SER 32 -0.074 9.745 1.429
222 1HB SER 32 2HB SER 32 -2.428 9.457 0.978
223 2HB SER 32 1HB SER 32 -2.851 9.894 2.631
224 HG SER 32 HG SER 32 -2.976 11.569 0.888
Start of MODEL 3
1 1H LEU 1 1HT LEU 1 -10.075 -9.620 5.121
2 2H LEU 1 2HT LEU 1 -11.517 -10.395 4.666
3 3H LEU 1 3HT LEU 1 -11.405 -9.617 6.172
4 HA LEU 1 HA LEU 1 -12.667 -8.378 4.409
5 1HB LEU 1 2HB LEU 1 -10.661 -7.487 6.306
6 2HB LEU 1 1HB LEU 1 -10.729 -6.380 4.938
7 HG LEU 1 HG LEU 1 -12.308 -5.679 6.680
8 1HD1 LEU 1 1HD1 LEU 1 -12.839 -5.750 4.063
9 2HD1 LEU 1 2HD1 LEU 1 -14.030 -5.179 5.232
10 3HD1 LEU 1 3HD1 LEU 1 -14.126 -6.825 4.608
11 1HD2 LEU 1 1HD2 LEU 1 -13.059 -7.451 7.923
12 2HD2 LEU 1 2HD2 LEU 1 -13.054 -8.554 6.549
13 3HD2 LEU 1 3HD2 LEU 1 -14.384 -7.416 6.760
14 H LEU 2 H LEU 2 -12.646 -7.811 2.285
15 HA LEU 2 HA LEU 2 -10.213 -8.301 0.708
16 1HB LEU 2 2HB LEU 2 -13.102 -7.865 0.145
17 2HB LEU 2 1HB LEU 2 -11.973 -7.343 -1.105
18 HG LEU 2 HG LEU 2 -11.825 -10.082 0.169
19 1HD1 LEU 2 1HD1 LEU 2 -12.863 -10.707 -2.163
20 2HD1 LEU 2 2HD1 LEU 2 -13.493 -9.060 -2.113
21 3HD1 LEU 2 3HD1 LEU 2 -13.925 -10.210 -0.846
22 1HD2 LEU 2 1HD2 LEU 2 -10.315 -10.582 -1.557
23 2HD2 LEU 2 2HD2 LEU 2 -9.899 -8.913 -1.169
24 3HD2 LEU 2 3HD2 LEU 2 -10.897 -9.268 -2.578
25 H ALA 3 H ALA 3 -8.898 -6.561 1.547
26 HA ALA 3 HA ALA 3 -8.987 -4.159 -0.007
27 1HB ALA 3 1HB ALA 3 -9.278 -2.819 2.370
28 2HB ALA 3 2HB ALA 3 -10.420 -4.145 2.576
29 3HB ALA 3 3HB ALA 3 -10.574 -3.055 1.199
30 H CYS 4 H CYS 4 -7.092 -6.179 0.802
31 HA CYS 4 HA CYS 4 -4.812 -4.583 1.364
32 1HB CYS 4 2HB CYS 4 -5.802 -4.440 3.641
33 2HB CYS 4 1HB CYS 4 -5.827 -6.198 3.733
34 H LEU 5 H LEU 5 -3.856 -5.826 -0.245
35 HA LEU 5 HA LEU 5 -3.715 -8.775 0.195
36 1HB LEU 5 2HB LEU 5 -2.944 -8.838 -2.192
37 2HB LEU 5 1HB LEU 5 -4.568 -8.183 -1.994
38 HG LEU 5 HG LEU 5 -2.417 -6.164 -1.828
39 1HD1 LEU 5 1HD1 LEU 5 -1.306 -7.219 -3.579
40 2HD1 LEU 5 2HD1 LEU 5 -2.438 -6.200 -4.469
41 3HD1 LEU 5 3HD1 LEU 5 -2.787 -7.913 -4.237
42 1HD2 LEU 5 1HD2 LEU 5 -4.167 -5.334 -3.733
43 2HD2 LEU 5 2HD2 LEU 5 -4.454 -5.123 -2.006
44 3HD2 LEU 5 3HD2 LEU 5 -5.185 -6.481 -2.861
45 H PHE 6 H PHE 6 -2.041 -6.685 1.581
46 HA PHE 6 HA PHE 6 0.606 -7.806 0.788
47 1HB PHE 6 2HB PHE 6 -0.261 -5.054 0.664
48 2HB PHE 6 1HB PHE 6 1.029 -5.204 1.855
49 HD1 PHE 6 1HD PHE 6 3.286 -5.545 1.184
50 HD2 PHE 6 2HD PHE 6 0.107 -5.989 -1.671
51 HE1 PHE 6 1HE PHE 6 4.952 -5.708 -0.645
52 HE2 PHE 6 2HE PHE 6 1.773 -6.151 -3.501
53 HZ PHE 6 HZ PHE 6 4.196 -6.010 -2.988
54 H GLY 7 H GLY 7 -0.553 -5.573 3.332
55 1HA GLY 7 2HA GLY 7 -0.653 -5.905 5.673
56 2HA GLY 7 1HA GLY 7 -0.210 -7.593 5.417
57 H ASN 8 H ASN 8 1.660 -4.945 4.074
58 HA ASN 8 HA ASN 8 3.697 -5.189 6.213
59 1HB ASN 8 2HB ASN 8 4.012 -6.107 3.380
60 2HB ASN 8 1HB ASN 8 5.393 -5.346 4.172
61 1HD2 ASN 8 1HD2 ASN 8 5.562 -6.266 6.651
62 2HD2 ASN 8 2HD2 ASN 8 5.519 -7.960 6.744
63 H GLY 9 H GLY 9 5.697 -3.686 5.239
64 1HA GLY 9 2HA GLY 9 4.352 -1.124 4.475
65 2HA GLY 9 1HA GLY 9 5.784 -1.210 5.499
66 H ARG 10 H ARG 10 5.568 -3.316 2.726
67 HA ARG 10 HA ARG 10 7.485 -1.545 1.260
68 1HB ARG 10 2HB ARG 10 8.583 -3.658 0.459
69 2HB ARG 10 1HB ARG 10 8.738 -3.410 2.199
70 1HG ARG 10 2HG ARG 10 6.784 -4.899 2.566
71 2HG ARG 10 1HG ARG 10 6.699 -5.188 0.828
72 1HD ARG 10 2HD ARG 10 7.937 -7.025 1.699
73 2HD ARG 10 1HD ARG 10 9.144 -5.949 0.994
74 HE ARG 10 HE ARG 10 8.780 -5.275 3.751
75 1HH1 ARG 10 1HH2 ARG 10 10.137 -7.771 1.711
76 2HH1 ARG 10 2HH2 ARG 10 11.315 -8.232 2.889
77 1HH2 ARG 10 1HH1 ARG 10 10.321 -5.905 5.245
78 2HH2 ARG 10 2HH1 ARG 10 11.421 -7.189 4.868
79 H CYS 11 H CYS 11 6.954 -1.206 -0.876
80 HA CYS 11 HA CYS 11 5.130 -3.091 -2.248
81 1HB CYS 11 2HB CYS 11 3.689 -1.108 -2.976
82 2HB CYS 11 1HB CYS 11 3.482 -1.643 -1.314
83 H SER 12 H SER 12 4.603 -2.000 -4.509
84 HA SER 12 HA SER 12 7.067 -0.711 -5.586
85 1HB SER 12 2HB SER 12 6.890 -3.250 -6.026
86 2HB SER 12 1HB SER 12 5.556 -2.839 -7.101
87 HG SER 12 HG SER 12 7.352 -2.777 -8.353
88 H SER 13 H SER 13 3.956 -0.167 -4.995
89 HA SER 13 HA SER 13 3.629 1.910 -6.898
90 1HB SER 13 2HB SER 13 3.283 0.337 -8.629
91 2HB SER 13 1HB SER 13 2.377 -0.750 -7.583
92 HG SER 13 HG SER 13 0.707 0.244 -8.392
93 H ASN 14 H ASN 14 1.356 2.819 -6.738
94 HA ASN 14 HA ASN 14 0.507 2.959 -4.026
95 1HB ASN 14 2HB ASN 14 -0.580 3.876 -6.647
96 2HB ASN 14 1HB ASN 14 -1.685 3.853 -5.273
97 1HD2 ASN 14 1HD2 ASN 14 -1.774 6.089 -4.769
98 2HD2 ASN 14 2HD2 ASN 14 -0.411 7.012 -4.354
99 H ARG 15 H ARG 15 -0.764 1.056 -6.755
100 HA ARG 15 HA ARG 15 -2.986 -0.018 -5.262
101 1HB ARG 15 2HB ARG 15 -1.957 -0.189 -7.938
102 2HB ARG 15 1HB ARG 15 -2.310 -1.812 -7.352
103 1HG ARG 15 2HG ARG 15 -4.571 -0.904 -6.592
104 2HG ARG 15 1HG ARG 15 -4.199 0.543 -7.529
105 1HD ARG 15 2HD ARG 15 -4.537 -0.506 -9.520
106 2HD ARG 15 1HD ARG 15 -3.766 -1.996 -8.975
107 HE ARG 15 HE ARG 15 -6.362 -1.543 -7.730
108 1HH1 ARG 15 1HH2 ARG 15 -4.702 -2.824 -10.531
109 2HH1 ARG 15 2HH2 ARG 15 -5.991 -3.908 -10.923
110 1HH2 ARG 15 1HH1 ARG 15 -8.005 -2.959 -8.277
111 2HH2 ARG 15 2HH1 ARG 15 -7.842 -3.985 -9.663
112 H ASP 16 H ASP 16 0.323 -0.680 -5.081
113 HA ASP 16 HA ASP 16 0.066 -3.516 -4.414
114 1HB ASP 16 2HB ASP 16 2.220 -1.565 -4.808
115 2HB ASP 16 1HB ASP 16 2.529 -2.664 -3.466
116 H CYS 17 H CYS 17 -0.812 -0.756 -2.762
117 HA CYS 17 HA CYS 17 0.000 -1.858 -0.116
118 1HB CYS 17 2HB CYS 17 -0.999 0.884 -0.929
119 2HB CYS 17 1HB CYS 17 -0.644 0.405 0.728
120 H CYS 18 H CYS 18 -1.758 -1.338 1.638
121 HA CYS 18 HA CYS 18 -4.238 -2.625 0.745
122 1HB CYS 18 2HB CYS 18 -3.254 -1.796 3.487
123 2HB CYS 18 1HB CYS 18 -4.662 -2.782 3.158
124 H GLU 19 H GLU 19 -6.192 -1.652 2.260
125 HA GLU 19 HA GLU 19 -6.896 0.852 1.084
126 1HB GLU 19 2HB GLU 19 -8.283 -1.102 2.339
127 2HB GLU 19 1HB GLU 19 -8.207 0.090 3.632
128 1HG GLU 19 2HG GLU 19 -10.150 0.732 2.494
129 2HG GLU 19 1HG GLU 19 -8.931 1.780 1.767
130 H LEU 20 H LEU 20 -5.862 0.015 4.368
131 HA LEU 20 HA LEU 20 -5.937 2.607 5.503
132 1HB LEU 20 2HB LEU 20 -4.167 1.736 7.073
133 2HB LEU 20 1HB LEU 20 -5.580 0.693 6.931
134 HG LEU 20 HG LEU 20 -3.492 0.107 4.937
135 1HD1 LEU 20 1HD1 LEU 20 -2.066 0.768 6.860
136 2HD1 LEU 20 2HD1 LEU 20 -1.950 -0.958 6.518
137 3HD1 LEU 20 3HD1 LEU 20 -2.924 -0.392 7.875
138 1HD2 LEU 20 1HD2 LEU 20 -4.389 -1.899 6.936
139 2HD2 LEU 20 2HD2 LEU 20 -4.321 -2.013 5.178
140 3HD2 LEU 20 3HD2 LEU 20 -5.665 -1.177 5.954
141 H THR 21 H THR 21 -3.730 1.251 3.207
142 HA THR 21 HA THR 21 -2.111 3.758 3.323
143 HB THR 21 HB THR 21 -0.205 2.273 2.465
144 HG1 THR 21 1HG THR 21 -1.867 0.257 3.562
145 1HG2 THR 21 1HG2 THR 21 -0.406 3.150 4.806
146 2HG2 THR 21 2HG2 THR 21 0.437 1.604 4.706
147 3HG2 THR 21 3HG2 THR 21 -1.242 1.660 5.245
148 HA PRO 22 HA PRO 22 -3.697 3.320 -0.946
149 1HB PRO 22 2HB PRO 22 -4.503 5.915 -1.200
150 2HB PRO 22 1HB PRO 22 -5.484 4.664 -0.423
151 1HG PRO 22 2HG PRO 22 -4.148 6.962 0.780
152 2HG PRO 22 1HG PRO 22 -5.380 5.895 1.470
153 1HD PRO 22 2HD PRO 22 -2.491 5.848 1.882
154 2HD PRO 22 1HD PRO 22 -3.749 4.929 2.739
155 H VAL 23 H VAL 23 -0.931 4.535 0.276
156 HA VAL 23 HA VAL 23 -0.087 5.614 -2.381
157 HB VAL 23 HB VAL 23 0.824 6.703 0.298
158 1HG1 VAL 23 1HG1 VAL 23 1.506 8.599 -1.408
159 2HG1 VAL 23 2HG1 VAL 23 1.450 7.281 -2.579
160 3HG1 VAL 23 3HG1 VAL 23 2.542 7.187 -1.196
161 1HG2 VAL 23 1HG2 VAL 23 -1.427 7.421 -1.505
162 2HG2 VAL 23 2HG2 VAL 23 -0.481 8.757 -0.851
163 3HG2 VAL 23 3HG2 VAL 23 -1.274 7.622 0.240
164 H CYS 24 H CYS 24 2.061 5.200 -2.925
165 HA CYS 24 HA CYS 24 3.575 3.375 -1.123
166 1HB CYS 24 2HB CYS 24 2.414 1.989 -2.791
167 2HB CYS 24 1HB CYS 24 3.064 2.983 -4.090
168 H LYS 25 H LYS 25 4.968 5.115 -0.632
169 HA LYS 25 HA LYS 25 6.524 6.184 -2.963
170 1HB LYS 25 2HB LYS 25 5.284 7.910 -1.704
171 2HB LYS 25 1HB LYS 25 6.162 7.466 -0.246
172 1HG LYS 25 2HG LYS 25 8.212 8.254 -1.106
173 2HG LYS 25 1HG LYS 25 7.622 8.236 -2.768
174 1HD LYS 25 2HD LYS 25 6.329 10.013 -0.709
175 2HD LYS 25 1HD LYS 25 7.794 10.529 -1.546
176 1HE LYS 25 2HE LYS 25 5.506 9.448 -3.156
177 2HE LYS 25 1HE LYS 25 5.424 11.105 -2.557
178 1HZ LYS 25 1HZ LYS 25 6.435 11.206 -4.665
179 2HZ LYS 25 2HZ LYS 25 7.482 9.912 -4.322
180 3HZ LYS 25 3HZ LYS 25 7.693 11.408 -3.545
181 H ARG 26 H ARG 26 8.723 6.212 -2.837
182 HA ARG 26 HA ARG 26 10.849 5.393 -2.256
183 1HB ARG 26 2HB ARG 26 10.120 6.809 -0.163
184 2HB ARG 26 1HB ARG 26 9.956 5.231 0.608
185 1HG ARG 26 2HG ARG 26 12.294 4.696 -0.107
186 2HG ARG 26 1HG ARG 26 12.444 6.344 -0.715
187 1HD ARG 26 2HD ARG 26 13.339 6.537 1.439
188 2HD ARG 26 1HD ARG 26 11.663 7.027 1.690
189 HE ARG 26 HE ARG 26 11.410 5.142 3.062
190 1HH1 ARG 26 1HH2 ARG 26 14.065 4.625 0.844
191 2HH1 ARG 26 2HH2 ARG 26 14.479 3.097 1.539
192 1HH2 ARG 26 1HH1 ARG 26 11.981 3.161 3.929
193 2HH2 ARG 26 2HH1 ARG 26 13.314 2.276 3.267
194 H GLY 27 H GLY 27 8.564 3.527 -2.791
195 1HA GLY 27 2HA GLY 27 8.223 1.207 -2.811
196 2HA GLY 27 1HA GLY 27 9.880 1.049 -2.219
197 H SER 28 H SER 28 7.370 2.876 -0.550
198 HA SER 28 HA SER 28 7.098 0.721 1.461
199 1HB SER 28 2HB SER 28 7.881 3.582 2.091
200 2HB SER 28 1HB SER 28 7.465 2.359 3.288
201 HG SER 28 HG SER 28 9.210 1.098 2.366
202 H CYS 29 H CYS 29 5.021 0.527 2.043
203 HA CYS 29 HA CYS 29 2.967 2.169 0.888
204 1HB CYS 29 2HB CYS 29 2.955 0.038 3.034
205 2HB CYS 29 1HB CYS 29 1.484 0.883 2.553
206 H VAL 30 H VAL 30 1.687 3.755 1.828
207 HA VAL 30 HA VAL 30 2.101 4.508 4.643
208 HB VAL 30 HB VAL 30 2.600 6.880 4.031
209 1HG1 VAL 30 1HG1 VAL 30 4.684 5.117 2.760
210 2HG1 VAL 30 2HG1 VAL 30 4.349 5.000 4.488
211 3HG1 VAL 30 3HG1 VAL 30 4.909 6.524 3.800
212 1HG2 VAL 30 1HG2 VAL 30 2.430 5.673 1.301
213 2HG2 VAL 30 2HG2 VAL 30 3.643 6.924 1.567
214 3HG2 VAL 30 3HG2 VAL 30 1.939 7.273 1.853
215 H SER 31 H SER 31 0.510 6.208 5.290
216 HA SER 31 HA SER 31 -2.022 5.839 3.789
217 1HB SER 31 2HB SER 31 -3.099 6.703 5.822
218 2HB SER 31 1HB SER 31 -2.009 5.378 6.221
219 HG SER 31 HG SER 31 -0.539 6.820 6.986
220 H SER 32 H SER 32 0.068 7.651 2.779
221 HA SER 32 HA SER 32 -1.517 9.881 2.029
222 1HB SER 32 2HB SER 32 -1.367 10.738 4.262
223 2HB SER 32 1HB SER 32 0.348 10.353 4.368
224 HG SER 32 HG SER 32 -0.945 12.488 3.179
Start of MODEL 4
1 1H LEU 1 1HT LEU 1 -15.279 -8.811 -0.076
2 2H LEU 1 2HT LEU 1 -16.472 -7.607 0.047
3 3H LEU 1 3HT LEU 1 -15.221 -7.687 1.194
4 HA LEU 1 HA LEU 1 -14.843 -7.103 -1.692
5 1HB LEU 1 2HB LEU 1 -14.306 -4.803 -0.858
6 2HB LEU 1 1HB LEU 1 -15.994 -5.252 -0.607
7 HG LEU 1 HG LEU 1 -14.122 -5.947 1.594
8 1HD1 LEU 1 1HD1 LEU 1 -13.194 -3.835 1.434
9 2HD1 LEU 1 2HD1 LEU 1 -14.629 -3.450 2.384
10 3HD1 LEU 1 3HD1 LEU 1 -14.617 -3.155 0.646
11 1HD2 LEU 1 1HD2 LEU 1 -16.026 -5.593 2.923
12 2HD2 LEU 1 2HD2 LEU 1 -16.727 -6.173 1.412
13 3HD2 LEU 1 3HD2 LEU 1 -16.728 -4.449 1.779
14 H LEU 2 H LEU 2 -12.611 -6.322 -2.084
15 HA LEU 2 HA LEU 2 -10.658 -7.364 -0.072
16 1HB LEU 2 2HB LEU 2 -11.162 -8.517 -2.542
17 2HB LEU 2 1HB LEU 2 -9.767 -7.494 -2.873
18 HG LEU 2 HG LEU 2 -9.047 -9.736 -2.170
19 1HD1 LEU 2 1HD1 LEU 2 -7.612 -7.861 -1.559
20 2HD1 LEU 2 2HD1 LEU 2 -7.593 -9.057 -0.263
21 3HD1 LEU 2 3HD1 LEU 2 -8.549 -7.586 -0.091
22 1HD2 LEU 2 1HD2 LEU 2 -9.590 -9.880 0.553
23 2HD2 LEU 2 2HD2 LEU 2 -10.409 -10.801 -0.706
24 3HD2 LEU 2 3HD2 LEU 2 -11.108 -9.291 -0.128
25 H ALA 3 H ALA 3 -9.384 -5.731 0.615
26 HA ALA 3 HA ALA 3 -8.374 -3.749 -1.339
27 1HB ALA 3 1HB ALA 3 -9.719 -2.893 1.241
28 2HB ALA 3 2HB ALA 3 -10.490 -2.812 -0.343
29 3HB ALA 3 3HB ALA 3 -9.056 -1.841 -0.009
30 H CYS 4 H CYS 4 -7.033 -5.875 -0.024
31 HA CYS 4 HA CYS 4 -4.776 -4.531 1.055
32 1HB CYS 4 2HB CYS 4 -6.262 -4.172 3.010
33 2HB CYS 4 1HB CYS 4 -6.523 -5.909 3.121
34 H LEU 5 H LEU 5 -3.618 -5.927 -0.259
35 HA LEU 5 HA LEU 5 -3.755 -8.831 0.458
36 1HB LEU 5 2HB LEU 5 -2.941 -9.258 -1.875
37 2HB LEU 5 1HB LEU 5 -4.534 -8.501 -1.821
38 HG LEU 5 HG LEU 5 -2.163 -6.693 -1.913
39 1HD1 LEU 5 1HD1 LEU 5 -1.807 -6.954 -4.247
40 2HD1 LEU 5 2HD1 LEU 5 -3.251 -7.950 -4.436
41 3HD1 LEU 5 3HD1 LEU 5 -1.834 -8.599 -3.613
42 1HD2 LEU 5 1HD2 LEU 5 -4.560 -6.423 -3.660
43 2HD2 LEU 5 2HD2 LEU 5 -3.699 -5.193 -2.735
44 3HD2 LEU 5 3HD2 LEU 5 -4.830 -6.277 -1.923
45 H PHE 6 H PHE 6 -2.028 -6.575 1.548
46 HA PHE 6 HA PHE 6 0.612 -7.822 0.906
47 1HB PHE 6 2HB PHE 6 -0.242 -5.007 0.923
48 2HB PHE 6 1HB PHE 6 1.213 -5.299 1.871
49 HD1 PHE 6 1HD PHE 6 3.251 -5.201 0.758
50 HD2 PHE 6 2HD PHE 6 -0.269 -6.342 -1.421
51 HE1 PHE 6 1HE PHE 6 4.587 -5.345 -1.326
52 HE2 PHE 6 2HE PHE 6 1.066 -6.486 -3.506
53 HZ PHE 6 HZ PHE 6 3.496 -5.987 -3.458
54 H GLY 7 H GLY 7 -0.384 -5.458 3.385
55 1HA GLY 7 2HA GLY 7 -0.691 -5.901 5.730
56 2HA GLY 7 1HA GLY 7 0.009 -7.500 5.493
57 H ASN 8 H ASN 8 2.216 -6.074 3.841
58 HA ASN 8 HA ASN 8 3.908 -5.456 6.204
59 1HB ASN 8 2HB ASN 8 4.433 -7.068 4.105
60 2HB ASN 8 1HB ASN 8 5.074 -5.553 3.467
61 1HD2 ASN 8 1HD2 ASN 8 5.494 -7.997 5.990
62 2HD2 ASN 8 2HD2 ASN 8 6.994 -7.424 6.542
63 H GLY 9 H GLY 9 5.780 -3.774 5.310
64 1HA GLY 9 2HA GLY 9 4.230 -1.354 4.491
65 2HA GLY 9 1HA GLY 9 5.672 -1.311 5.504
66 H ARG 10 H ARG 10 5.624 -3.451 2.753
67 HA ARG 10 HA ARG 10 7.416 -1.552 1.288
68 1HB ARG 10 2HB ARG 10 7.590 -4.582 1.326
69 2HB ARG 10 1HB ARG 10 8.690 -3.482 0.496
70 1HG ARG 10 2HG ARG 10 8.763 -2.476 3.042
71 2HG ARG 10 1HG ARG 10 8.547 -4.196 3.362
72 1HD ARG 10 2HD ARG 10 10.847 -4.141 3.183
73 2HD ARG 10 1HD ARG 10 10.439 -4.401 1.487
74 HE ARG 10 HE ARG 10 10.473 -1.604 1.923
75 1HH1 ARG 10 1HH2 ARG 10 12.691 -4.308 1.973
76 2HH1 ARG 10 2HH2 ARG 10 14.049 -3.331 1.537
77 1HH2 ARG 10 1HH1 ARG 10 12.256 -0.378 1.361
78 2HH2 ARG 10 2HH1 ARG 10 13.808 -1.130 1.194
79 H CYS 11 H CYS 11 6.935 -1.256 -0.883
80 HA CYS 11 HA CYS 11 5.053 -3.111 -2.216
81 1HB CYS 11 2HB CYS 11 3.654 -1.108 -2.952
82 2HB CYS 11 1HB CYS 11 3.462 -1.600 -1.276
83 H SER 12 H SER 12 4.535 -2.054 -4.482
84 HA SER 12 HA SER 12 7.026 -0.860 -5.611
85 1HB SER 12 2HB SER 12 6.538 -3.439 -6.014
86 2HB SER 12 1HB SER 12 5.433 -2.808 -7.231
87 HG SER 12 HG SER 12 8.231 -2.522 -7.017
88 H SER 13 H SER 13 3.911 -0.231 -4.986
89 HA SER 13 HA SER 13 3.641 1.900 -6.828
90 1HB SER 13 2HB SER 13 3.287 0.390 -8.616
91 2HB SER 13 1HB SER 13 2.345 -0.710 -7.616
92 HG SER 13 HG SER 13 1.621 1.695 -8.845
93 H ASN 14 H ASN 14 1.351 2.819 -6.682
94 HA ASN 14 HA ASN 14 0.490 2.924 -3.977
95 1HB ASN 14 2HB ASN 14 -0.610 3.845 -6.593
96 2HB ASN 14 1HB ASN 14 -1.703 3.819 -5.208
97 1HD2 ASN 14 1HD2 ASN 14 -1.787 6.073 -4.750
98 2HD2 ASN 14 2HD2 ASN 14 -0.422 6.990 -4.327
99 H ARG 15 H ARG 15 -0.767 1.033 -6.721
100 HA ARG 15 HA ARG 15 -2.982 -0.064 -5.231
101 1HB ARG 15 2HB ARG 15 -1.938 -0.228 -7.914
102 2HB ARG 15 1HB ARG 15 -2.354 -1.838 -7.333
103 1HG ARG 15 2HG ARG 15 -4.596 -0.951 -6.647
104 2HG ARG 15 1HG ARG 15 -4.171 0.589 -7.396
105 1HD ARG 15 2HD ARG 15 -3.701 -0.757 -9.529
106 2HD ARG 15 1HD ARG 15 -4.530 -2.096 -8.737
107 HE ARG 15 HE ARG 15 -5.788 0.295 -9.829
108 1HH1 ARG 15 1HH2 ARG 15 -6.053 -2.259 -7.454
109 2HH1 ARG 15 2HH2 ARG 15 -7.775 -2.134 -7.366
110 1HH2 ARG 15 1HH1 ARG 15 -8.017 0.422 -9.683
111 2HH2 ARG 15 2HH1 ARG 15 -8.877 -0.634 -8.614
112 H ASP 16 H ASP 16 0.329 -0.722 -5.077
113 HA ASP 16 HA ASP 16 0.063 -3.566 -4.423
114 1HB ASP 16 2HB ASP 16 2.224 -1.639 -4.875
115 2HB ASP 16 1HB ASP 16 2.558 -2.724 -3.527
116 H CYS 17 H CYS 17 -0.762 -0.805 -2.757
117 HA CYS 17 HA CYS 17 0.130 -1.874 -0.126
118 1HB CYS 17 2HB CYS 17 -0.961 0.829 -0.951
119 2HB CYS 17 1HB CYS 17 -0.587 0.379 0.713
120 H CYS 18 H CYS 18 -1.610 -1.341 1.667
121 HA CYS 18 HA CYS 18 -4.058 -2.737 0.859
122 1HB CYS 18 2HB CYS 18 -2.798 -1.932 3.467
123 2HB CYS 18 1HB CYS 18 -4.451 -2.501 3.404
124 H GLU 19 H GLU 19 -6.052 -1.793 2.290
125 HA GLU 19 HA GLU 19 -6.836 0.641 1.036
126 1HB GLU 19 2HB GLU 19 -8.157 -1.322 2.342
127 2HB GLU 19 1HB GLU 19 -8.139 -0.089 3.599
128 1HG GLU 19 2HG GLU 19 -9.293 1.476 2.243
129 2HG GLU 19 1HG GLU 19 -8.971 0.558 0.770
130 H LEU 20 H LEU 20 -5.848 -0.006 4.383
131 HA LEU 20 HA LEU 20 -6.044 2.645 5.362
132 1HB LEU 20 2HB LEU 20 -4.392 1.924 7.089
133 2HB LEU 20 1HB LEU 20 -5.713 0.776 6.881
134 HG LEU 20 HG LEU 20 -3.421 0.278 5.092
135 1HD1 LEU 20 1HD1 LEU 20 -3.090 -0.155 8.076
136 2HD1 LEU 20 2HD1 LEU 20 -2.268 1.106 7.158
137 3HD1 LEU 20 3HD1 LEU 20 -1.939 -0.591 6.813
138 1HD2 LEU 20 1HD2 LEU 20 -5.416 -1.196 6.726
139 2HD2 LEU 20 2HD2 LEU 20 -3.861 -2.000 6.515
140 3HD2 LEU 20 3HD2 LEU 20 -4.813 -1.541 5.106
141 H THR 21 H THR 21 -3.724 1.254 3.209
142 HA THR 21 HA THR 21 -2.129 3.781 3.339
143 HB THR 21 HB THR 21 -0.221 2.244 2.487
144 HG1 THR 21 1HG THR 21 -1.853 0.481 2.245
145 1HG2 THR 21 1HG2 THR 21 -1.339 2.435 5.249
146 2HG2 THR 21 2HG2 THR 21 0.188 3.044 4.612
147 3HG2 THR 21 3HG2 THR 21 0.007 1.329 4.978
148 HA PRO 22 HA PRO 22 -3.650 3.287 -0.955
149 1HB PRO 22 2HB PRO 22 -4.469 5.870 -1.258
150 2HB PRO 22 1HB PRO 22 -5.459 4.618 -0.497
151 1HG PRO 22 2HG PRO 22 -4.136 6.927 0.722
152 2HG PRO 22 1HG PRO 22 -5.433 5.908 1.361
153 1HD PRO 22 2HD PRO 22 -2.605 5.810 1.984
154 2HD PRO 22 1HD PRO 22 -3.922 4.852 2.695
155 H VAL 23 H VAL 23 -0.920 4.568 0.315
156 HA VAL 23 HA VAL 23 -0.060 5.641 -2.344
157 HB VAL 23 HB VAL 23 0.836 6.685 0.358
158 1HG1 VAL 23 1HG1 VAL 23 1.656 8.569 -1.251
159 2HG1 VAL 23 2HG1 VAL 23 1.511 7.339 -2.505
160 3HG1 VAL 23 3HG1 VAL 23 2.602 7.086 -1.143
161 1HG2 VAL 23 1HG2 VAL 23 -1.487 7.308 -0.091
162 2HG2 VAL 23 2HG2 VAL 23 -1.044 7.864 -1.705
163 3HG2 VAL 23 3HG2 VAL 23 -0.441 8.715 -0.282
164 H CYS 24 H CYS 24 2.106 5.244 -2.891
165 HA CYS 24 HA CYS 24 3.620 3.379 -1.135
166 1HB CYS 24 2HB CYS 24 2.409 2.001 -2.766
167 2HB CYS 24 1HB CYS 24 3.031 2.986 -4.084
168 H LYS 25 H LYS 25 5.017 5.155 -0.691
169 HA LYS 25 HA LYS 25 6.549 6.173 -3.059
170 1HB LYS 25 2HB LYS 25 5.359 7.896 -1.725
171 2HB LYS 25 1HB LYS 25 6.321 7.445 -0.326
172 1HG LYS 25 2HG LYS 25 7.809 8.993 -1.045
173 2HG LYS 25 1HG LYS 25 8.230 7.834 -2.300
174 1HD LYS 25 2HD LYS 25 7.723 9.943 -3.373
175 2HD LYS 25 1HD LYS 25 6.409 8.821 -3.729
176 1HE LYS 25 2HE LYS 25 4.939 9.866 -2.220
177 2HE LYS 25 1HE LYS 25 6.253 10.645 -1.338
178 1HZ LYS 25 1HZ LYS 25 5.739 11.274 -4.176
179 2HZ LYS 25 2HZ LYS 25 6.570 12.195 -3.014
180 3HZ LYS 25 3HZ LYS 25 4.878 12.055 -2.941
181 H ARG 26 H ARG 26 8.721 6.059 -3.041
182 HA ARG 26 HA ARG 26 10.843 5.183 -2.533
183 1HB ARG 26 2HB ARG 26 10.253 6.725 -0.470
184 2HB ARG 26 1HB ARG 26 10.120 5.184 0.378
185 1HG ARG 26 2HG ARG 26 12.380 4.598 -0.132
186 2HG ARG 26 1HG ARG 26 12.526 5.908 -1.304
187 1HD ARG 26 2HD ARG 26 13.446 7.097 0.392
188 2HD ARG 26 1HD ARG 26 11.801 7.247 1.007
189 HE ARG 26 HE ARG 26 12.397 5.789 2.748
190 1HH1 ARG 26 1HH2 ARG 26 14.621 5.407 0.076
191 2HH1 ARG 26 2HH2 ARG 26 15.633 4.308 0.944
192 1HH2 ARG 26 1HH1 ARG 26 13.735 4.362 3.835
193 2HH2 ARG 26 2HH1 ARG 26 15.140 3.721 3.050
194 H GLY 27 H GLY 27 8.494 3.376 -2.875
195 1HA GLY 27 2HA GLY 27 8.090 1.066 -2.769
196 2HA GLY 27 1HA GLY 27 9.754 0.888 -2.208
197 H SER 28 H SER 28 7.337 2.872 -0.586
198 HA SER 28 HA SER 28 7.059 0.836 1.554
199 1HB SER 28 2HB SER 28 8.065 3.669 1.894
200 2HB SER 28 1HB SER 28 7.392 2.737 3.229
201 HG SER 28 HG SER 28 9.846 2.673 2.304
202 H CYS 29 H CYS 29 4.957 0.656 2.026
203 HA CYS 29 HA CYS 29 2.944 2.343 0.883
204 1HB CYS 29 2HB CYS 29 2.844 0.274 3.094
205 2HB CYS 29 1HB CYS 29 1.409 1.081 2.462
206 H VAL 30 H VAL 30 1.699 3.966 1.810
207 HA VAL 30 HA VAL 30 2.124 4.712 4.626
208 HB VAL 30 HB VAL 30 2.655 7.081 4.006
209 1HG1 VAL 30 1HG1 VAL 30 4.370 5.193 4.518
210 2HG1 VAL 30 2HG1 VAL 30 4.966 6.690 3.799
211 3HG1 VAL 30 3HG1 VAL 30 4.727 5.261 2.792
212 1HG2 VAL 30 1HG2 VAL 30 1.993 7.420 1.805
213 2HG2 VAL 30 2HG2 VAL 30 2.575 5.842 1.275
214 3HG2 VAL 30 3HG2 VAL 30 3.720 7.147 1.580
215 H SER 31 H SER 31 0.564 6.392 5.300
216 HA SER 31 HA SER 31 -1.984 6.079 3.832
217 1HB SER 31 2HB SER 31 -2.964 7.115 5.887
218 2HB SER 31 1HB SER 31 -2.041 5.655 6.228
219 HG SER 31 HG SER 31 -1.652 8.165 7.106
220 H SER 32 H SER 32 -0.226 7.683 2.425
221 HA SER 32 HA SER 32 -0.096 9.777 1.380
222 1HB SER 32 2HB SER 32 -2.623 9.409 1.360
223 2HB SER 32 1HB SER 32 -2.691 10.418 2.802
224 HG SER 32 HG SER 32 -2.972 11.704 0.985
Start of MODEL 5
1 1H LEU 1 1HT LEU 1 -14.446 -9.150 -2.558
2 2H LEU 1 2HT LEU 1 -13.376 -8.364 -3.618
3 3H LEU 1 3HT LEU 1 -14.980 -7.821 -3.468
4 HA LEU 1 HA LEU 1 -13.801 -6.291 -2.212
5 1HB LEU 1 2HB LEU 1 -14.791 -8.533 -0.429
6 2HB LEU 1 1HB LEU 1 -14.303 -6.951 0.183
7 HG LEU 1 HG LEU 1 -15.967 -6.137 -1.760
8 1HD1 LEU 1 1HD1 LEU 1 -16.667 -8.978 -1.152
9 2HD1 LEU 1 2HD1 LEU 1 -16.827 -8.083 -2.663
10 3HD1 LEU 1 3HD1 LEU 1 -17.990 -7.831 -1.361
11 1HD2 LEU 1 1HD2 LEU 1 -16.428 -5.321 0.367
12 2HD2 LEU 1 2HD2 LEU 1 -16.425 -6.925 1.096
13 3HD2 LEU 1 3HD2 LEU 1 -17.807 -6.396 0.137
14 H LEU 2 H LEU 2 -11.560 -6.433 -2.811
15 HA LEU 2 HA LEU 2 -9.886 -7.720 -0.715
16 1HB LEU 2 2HB LEU 2 -10.132 -8.982 -3.072
17 2HB LEU 2 1HB LEU 2 -8.874 -7.829 -3.519
18 HG LEU 2 HG LEU 2 -7.770 -8.593 -1.255
19 1HD1 LEU 2 1HD1 LEU 2 -10.006 -10.071 -1.009
20 2HD1 LEU 2 2HD1 LEU 2 -8.456 -10.590 -0.345
21 3HD1 LEU 2 3HD1 LEU 2 -9.008 -11.225 -1.894
22 1HD2 LEU 2 1HD2 LEU 2 -7.848 -10.168 -3.839
23 2HD2 LEU 2 2HD2 LEU 2 -6.719 -10.544 -2.536
24 3HD2 LEU 2 3HD2 LEU 2 -6.653 -8.973 -3.335
25 H ALA 3 H ALA 3 -9.868 -5.399 -0.054
26 HA ALA 3 HA ALA 3 -8.173 -3.674 -1.797
27 1HB ALA 3 1HB ALA 3 -9.158 -1.833 -0.801
28 2HB ALA 3 2HB ALA 3 -9.406 -2.665 0.734
29 3HB ALA 3 3HB ALA 3 -10.474 -2.995 -0.629
30 H CYS 4 H CYS 4 -6.954 -5.852 -0.401
31 HA CYS 4 HA CYS 4 -4.767 -4.529 0.850
32 1HB CYS 4 2HB CYS 4 -6.383 -4.166 2.690
33 2HB CYS 4 1HB CYS 4 -6.680 -5.901 2.768
34 H LEU 5 H LEU 5 -3.550 -5.939 -0.413
35 HA LEU 5 HA LEU 5 -3.716 -8.834 0.333
36 1HB LEU 5 2HB LEU 5 -2.820 -9.301 -1.958
37 2HB LEU 5 1HB LEU 5 -4.414 -8.548 -1.981
38 HG LEU 5 HG LEU 5 -2.105 -6.681 -1.991
39 1HD1 LEU 5 1HD1 LEU 5 -2.730 -8.582 -4.254
40 2HD1 LEU 5 2HD1 LEU 5 -1.159 -8.207 -3.544
41 3HD1 LEU 5 3HD1 LEU 5 -1.983 -7.010 -4.544
42 1HD2 LEU 5 1HD2 LEU 5 -4.881 -6.893 -3.059
43 2HD2 LEU 5 2HD2 LEU 5 -3.746 -5.908 -3.982
44 3HD2 LEU 5 3HD2 LEU 5 -4.075 -5.525 -2.292
45 H PHE 6 H PHE 6 -2.070 -6.590 1.488
46 HA PHE 6 HA PHE 6 0.617 -7.786 0.948
47 1HB PHE 6 2HB PHE 6 -0.292 -4.994 0.879
48 2HB PHE 6 1HB PHE 6 1.112 -5.230 1.919
49 HD1 PHE 6 1HD PHE 6 -0.192 -6.104 -1.485
50 HD2 PHE 6 2HD PHE 6 3.252 -5.362 0.974
51 HE1 PHE 6 1HE PHE 6 1.267 -6.246 -3.485
52 HE2 PHE 6 2HE PHE 6 4.711 -5.503 -1.027
53 HZ PHE 6 HZ PHE 6 3.718 -5.946 -3.256
54 H GLY 7 H GLY 7 -0.560 -5.435 3.362
55 1HA GLY 7 2HA GLY 7 -0.833 -5.723 5.704
56 2HA GLY 7 1HA GLY 7 -0.379 -7.417 5.520
57 H ASN 8 H ASN 8 1.567 -4.815 4.195
58 HA ASN 8 HA ASN 8 3.483 -4.980 6.449
59 1HB ASN 8 2HB ASN 8 3.859 -6.681 4.366
60 2HB ASN 8 1HB ASN 8 4.712 -5.262 3.759
61 1HD2 ASN 8 1HD2 ASN 8 6.901 -5.641 4.184
62 2HD2 ASN 8 2HD2 ASN 8 7.521 -6.146 5.683
63 H GLY 9 H GLY 9 5.595 -3.612 5.212
64 1HA GLY 9 2HA GLY 9 4.286 -1.037 4.428
65 2HA GLY 9 1HA GLY 9 5.711 -1.104 5.463
66 H ARG 10 H ARG 10 5.468 -3.315 2.773
67 HA ARG 10 HA ARG 10 7.463 -1.658 1.275
68 1HB ARG 10 2HB ARG 10 7.368 -4.687 1.391
69 2HB ARG 10 1HB ARG 10 8.608 -3.696 0.625
70 1HG ARG 10 2HG ARG 10 8.195 -2.986 3.440
71 2HG ARG 10 1HG ARG 10 8.681 -4.667 3.235
72 1HD ARG 10 2HD ARG 10 10.570 -3.882 1.782
73 2HD ARG 10 1HD ARG 10 10.125 -2.221 2.175
74 HE ARG 10 HE ARG 10 11.158 -2.513 4.263
75 1HH1 ARG 10 1HH2 ARG 10 10.393 -5.632 2.877
76 2HH1 ARG 10 2HH2 ARG 10 11.162 -6.502 4.157
77 1HH2 ARG 10 1HH1 ARG 10 12.146 -3.680 5.898
78 2HH2 ARG 10 2HH1 ARG 10 12.146 -5.411 5.849
79 H CYS 11 H CYS 11 6.926 -1.284 -0.848
80 HA CYS 11 HA CYS 11 5.055 -3.115 -2.228
81 1HB CYS 11 2HB CYS 11 3.664 -1.106 -2.955
82 2HB CYS 11 1HB CYS 11 3.452 -1.618 -1.288
83 H SER 12 H SER 12 4.563 -2.018 -4.486
84 HA SER 12 HA SER 12 7.042 -0.760 -5.562
85 1HB SER 12 2HB SER 12 6.880 -2.243 -7.547
86 2HB SER 12 1HB SER 12 7.172 -3.157 -6.070
87 HG SER 12 HG SER 12 5.167 -3.919 -6.129
88 H SER 13 H SER 13 3.949 -0.188 -4.991
89 HA SER 13 HA SER 13 3.622 1.838 -6.946
90 1HB SER 13 2HB SER 13 3.250 0.227 -8.635
91 2HB SER 13 1HB SER 13 2.358 -0.835 -7.551
92 HG SER 13 HG SER 13 0.647 0.153 -8.254
93 H ASN 14 H ASN 14 1.354 2.764 -6.783
94 HA ASN 14 HA ASN 14 0.536 2.973 -4.067
95 1HB ASN 14 2HB ASN 14 -0.578 3.829 -6.697
96 2HB ASN 14 1HB ASN 14 -1.668 3.844 -5.310
97 1HD2 ASN 14 1HD2 ASN 14 -1.737 6.120 -4.943
98 2HD2 ASN 14 2HD2 ASN 14 -0.369 7.036 -4.532
99 H ARG 15 H ARG 15 -0.821 1.046 -6.745
100 HA ARG 15 HA ARG 15 -2.995 -0.003 -5.166
101 1HB ARG 15 2HB ARG 15 -2.041 -0.224 -7.879
102 2HB ARG 15 1HB ARG 15 -2.457 -1.819 -7.256
103 1HG ARG 15 2HG ARG 15 -4.691 -1.164 -6.773
104 2HG ARG 15 1HG ARG 15 -4.307 0.550 -6.933
105 1HD ARG 15 2HD ARG 15 -3.578 -0.326 -9.396
106 2HD ARG 15 1HD ARG 15 -4.875 -1.466 -9.036
107 HE ARG 15 HE ARG 15 -5.659 1.259 -8.442
108 1HH1 ARG 15 1HH2 ARG 15 -5.263 -1.066 -11.025
109 2HH1 ARG 15 2HH2 ARG 15 -6.439 -0.297 -12.032
110 1HH2 ARG 15 1HH1 ARG 15 -7.174 2.220 -9.778
111 2HH2 ARG 15 2HH1 ARG 15 -7.510 1.543 -11.337
112 H ASP 16 H ASP 16 0.312 -0.684 -5.093
113 HA ASP 16 HA ASP 16 0.074 -3.519 -4.426
114 1HB ASP 16 2HB ASP 16 2.217 -1.559 -4.851
115 2HB ASP 16 1HB ASP 16 2.556 -2.670 -3.526
116 H CYS 17 H CYS 17 -0.752 -0.752 -2.744
117 HA CYS 17 HA CYS 17 0.130 -1.840 -0.120
118 1HB CYS 17 2HB CYS 17 -0.960 0.863 -0.937
119 2HB CYS 17 1HB CYS 17 -0.613 0.406 0.730
120 H CYS 18 H CYS 18 -1.613 -1.329 1.671
121 HA CYS 18 HA CYS 18 -4.074 -2.708 0.836
122 1HB CYS 18 2HB CYS 18 -2.726 -2.063 3.433
123 2HB CYS 18 1HB CYS 18 -4.414 -2.516 3.420
124 H GLU 19 H GLU 19 -5.992 -1.774 2.459
125 HA GLU 19 HA GLU 19 -6.790 0.713 1.296
126 1HB GLU 19 2HB GLU 19 -8.084 -1.279 2.612
127 2HB GLU 19 1HB GLU 19 -8.006 -0.064 3.884
128 1HG GLU 19 2HG GLU 19 -8.811 0.886 1.180
129 2HG GLU 19 1HG GLU 19 -9.981 -0.102 2.055
130 H LEU 20 H LEU 20 -5.574 -0.122 4.513
131 HA LEU 20 HA LEU 20 -5.677 2.467 5.670
132 1HB LEU 20 2HB LEU 20 -3.889 1.628 7.204
133 2HB LEU 20 1HB LEU 20 -5.245 0.511 7.044
134 HG LEU 20 HG LEU 20 -3.178 0.051 5.013
135 1HD1 LEU 20 1HD1 LEU 20 -1.491 -0.871 6.525
136 2HD1 LEU 20 2HD1 LEU 20 -2.447 -0.384 7.925
137 3HD1 LEU 20 3HD1 LEU 20 -1.730 0.840 6.878
138 1HD2 LEU 20 1HD2 LEU 20 -3.391 -2.261 6.348
139 2HD2 LEU 20 2HD2 LEU 20 -4.640 -1.727 5.225
140 3HD2 LEU 20 3HD2 LEU 20 -4.852 -1.482 6.957
141 H THR 21 H THR 21 -3.562 1.204 3.246
142 HA THR 21 HA THR 21 -1.958 3.718 3.376
143 HB THR 21 HB THR 21 -0.102 2.216 2.343
144 HG1 THR 21 1HG THR 21 -0.292 0.051 2.944
145 1HG2 THR 21 1HG2 THR 21 -1.004 2.422 5.174
146 2HG2 THR 21 2HG2 THR 21 0.500 2.968 4.429
147 3HG2 THR 21 3HG2 THR 21 0.279 1.263 4.822
148 HA PRO 22 HA PRO 22 -3.723 3.376 -0.827
149 1HB PRO 22 2HB PRO 22 -4.447 5.996 -1.033
150 2HB PRO 22 1HB PRO 22 -5.437 4.775 -0.218
151 1HG PRO 22 2HG PRO 22 -3.937 7.006 0.933
152 2HG PRO 22 1HG PRO 22 -5.216 6.021 1.657
153 1HD PRO 22 2HD PRO 22 -2.344 5.808 2.037
154 2HD PRO 22 1HD PRO 22 -3.637 4.907 2.859
155 H VAL 23 H VAL 23 -0.884 4.599 0.309
156 HA VAL 23 HA VAL 23 -0.108 5.541 -2.420
157 HB VAL 23 HB VAL 23 0.800 6.806 0.181
158 1HG1 VAL 23 1HG1 VAL 23 1.364 7.394 -2.735
159 2HG1 VAL 23 2HG1 VAL 23 2.531 6.988 -1.476
160 3HG1 VAL 23 3HG1 VAL 23 1.699 8.544 -1.439
161 1HG2 VAL 23 1HG2 VAL 23 -1.396 7.408 -1.731
162 2HG2 VAL 23 2HG2 VAL 23 -0.459 8.780 -1.137
163 3HG2 VAL 23 3HG2 VAL 23 -1.294 7.723 0.002
164 H CYS 24 H CYS 24 2.046 5.147 -2.978
165 HA CYS 24 HA CYS 24 3.590 3.374 -1.145
166 1HB CYS 24 2HB CYS 24 2.432 1.967 -2.798
167 2HB CYS 24 1HB CYS 24 3.078 2.952 -4.108
168 H LYS 25 H LYS 25 4.960 5.153 -0.677
169 HA LYS 25 HA LYS 25 6.496 6.213 -3.028
170 1HB LYS 25 2HB LYS 25 5.298 7.936 -1.724
171 2HB LYS 25 1HB LYS 25 6.206 7.469 -0.292
172 1HG LYS 25 2HG LYS 25 8.313 8.026 -1.473
173 2HG LYS 25 1HG LYS 25 7.376 8.533 -2.879
174 1HD LYS 25 2HD LYS 25 7.017 9.732 -0.121
175 2HD LYS 25 1HD LYS 25 8.077 10.424 -1.349
176 1HE LYS 25 2HE LYS 25 5.868 10.164 -2.841
177 2HE LYS 25 1HE LYS 25 5.098 10.312 -1.262
178 1HZ LYS 25 1HZ LYS 25 6.849 12.239 -2.650
179 2HZ LYS 25 2HZ LYS 25 6.663 12.295 -0.962
180 3HZ LYS 25 3HZ LYS 25 5.313 12.490 -1.976
181 H ARG 26 H ARG 26 8.676 6.176 -2.984
182 HA ARG 26 HA ARG 26 10.809 5.328 -2.472
183 1HB ARG 26 2HB ARG 26 10.177 6.798 -0.380
184 2HB ARG 26 1HB ARG 26 10.032 5.236 0.426
185 1HG ARG 26 2HG ARG 26 12.300 4.678 -0.012
186 2HG ARG 26 1HG ARG 26 12.470 5.978 -1.194
187 1HD ARG 26 2HD ARG 26 11.668 6.808 1.542
188 2HD ARG 26 1HD ARG 26 13.314 6.202 1.369
189 HE ARG 26 HE ARG 26 12.615 8.160 -0.671
190 1HH1 ARG 26 1HH2 ARG 26 13.784 7.710 2.595
191 2HH1 ARG 26 2HH2 ARG 26 14.579 9.244 2.628
192 1HH2 ARG 26 1HH1 ARG 26 13.662 10.135 -0.585
193 2HH2 ARG 26 2HH1 ARG 26 14.513 10.603 0.849
194 H GLY 27 H GLY 27 8.491 3.491 -2.897
195 1HA GLY 27 2HA GLY 27 8.113 1.177 -2.860
196 2HA GLY 27 1HA GLY 27 9.782 1.001 -2.311
197 H SER 28 H SER 28 7.352 2.904 -0.611
198 HA SER 28 HA SER 28 7.109 0.800 1.461
199 1HB SER 28 2HB SER 28 7.535 3.620 2.356
200 2HB SER 28 1HB SER 28 7.924 2.114 3.181
201 HG SER 28 HG SER 28 9.802 3.134 2.410
202 H CYS 29 H CYS 29 5.035 0.611 2.026
203 HA CYS 29 HA CYS 29 2.975 2.254 0.897
204 1HB CYS 29 2HB CYS 29 2.983 0.150 3.070
205 2HB CYS 29 1HB CYS 29 1.507 0.975 2.569
206 H VAL 30 H VAL 30 1.677 3.821 1.853
207 HA VAL 30 HA VAL 30 2.150 4.605 4.656
208 HB VAL 30 HB VAL 30 2.553 6.984 4.017
209 1HG1 VAL 30 1HG1 VAL 30 4.383 5.197 4.433
210 2HG1 VAL 30 2HG1 VAL 30 4.868 6.703 3.654
211 3HG1 VAL 30 3HG1 VAL 30 4.630 5.247 2.688
212 1HG2 VAL 30 1HG2 VAL 30 1.738 7.280 1.855
213 2HG2 VAL 30 2HG2 VAL 30 2.401 5.749 1.285
214 3HG2 VAL 30 3HG2 VAL 30 3.467 7.130 1.541
215 H SER 31 H SER 31 0.523 6.255 5.343
216 HA SER 31 HA SER 31 -2.057 5.718 4.014
217 1HB SER 31 2HB SER 31 -1.358 7.098 6.614
218 2HB SER 31 1HB SER 31 -3.003 6.877 6.026
219 HG SER 31 HG SER 31 -1.104 4.947 6.826
220 H SER 32 H SER 32 0.115 7.729 3.025
221 HA SER 32 HA SER 32 -1.639 9.634 1.873
222 1HB SER 32 2HB SER 32 -1.348 10.266 4.507
223 2HB SER 32 1HB SER 32 0.014 11.145 3.823
224 HG SER 32 HG SER 32 -1.376 12.537 3.111
Start of MODEL 6
1 1H LEU 1 1HT LEU 1 -15.136 -6.236 -1.856
2 2H LEU 1 2HT LEU 1 -14.345 -7.693 -2.231
3 3H LEU 1 3HT LEU 1 -15.356 -6.951 -3.377
4 HA LEU 1 HA LEU 1 -13.240 -6.400 -4.113
5 1HB LEU 1 2HB LEU 1 -14.274 -4.186 -2.317
6 2HB LEU 1 1HB LEU 1 -13.009 -3.965 -3.526
7 HG LEU 1 HG LEU 1 -14.859 -5.164 -5.069
8 1HD1 LEU 1 1HD1 LEU 1 -16.499 -3.510 -3.135
9 2HD1 LEU 1 2HD1 LEU 1 -16.415 -5.270 -3.066
10 3HD1 LEU 1 3HD1 LEU 1 -17.089 -4.474 -4.488
11 1HD2 LEU 1 1HD2 LEU 1 -14.538 -2.258 -4.309
12 2HD2 LEU 1 2HD2 LEU 1 -15.650 -2.755 -5.584
13 3HD2 LEU 1 3HD2 LEU 1 -13.925 -3.090 -5.738
14 H LEU 2 H LEU 2 -11.291 -7.213 -3.518
15 HA LEU 2 HA LEU 2 -10.414 -7.143 -0.715
16 1HB LEU 2 2HB LEU 2 -9.488 -8.428 -3.239
17 2HB LEU 2 1HB LEU 2 -8.263 -8.106 -2.012
18 HG LEU 2 HG LEU 2 -9.880 -9.205 -0.344
19 1HD1 LEU 2 1HD1 LEU 2 -11.917 -9.234 -1.584
20 2HD1 LEU 2 2HD1 LEU 2 -11.379 -10.913 -1.530
21 3HD1 LEU 2 3HD1 LEU 2 -11.135 -9.955 -2.991
22 1HD2 LEU 2 1HD2 LEU 2 -8.748 -10.923 -2.576
23 2HD2 LEU 2 2HD2 LEU 2 -9.083 -11.445 -0.926
24 3HD2 LEU 2 3HD2 LEU 2 -7.805 -10.269 -1.237
25 H ALA 3 H ALA 3 -9.879 -5.055 -0.126
26 HA ALA 3 HA ALA 3 -8.025 -3.538 -1.902
27 1HB ALA 3 1HB ALA 3 -10.261 -2.577 -0.930
28 2HB ALA 3 2HB ALA 3 -8.816 -1.567 -0.913
29 3HB ALA 3 3HB ALA 3 -9.329 -2.396 0.557
30 H CYS 4 H CYS 4 -6.955 -5.718 -0.451
31 HA CYS 4 HA CYS 4 -4.740 -4.497 0.849
32 1HB CYS 4 2HB CYS 4 -6.398 -4.044 2.640
33 2HB CYS 4 1HB CYS 4 -6.756 -5.765 2.731
34 H LEU 5 H LEU 5 -3.554 -5.971 -0.356
35 HA LEU 5 HA LEU 5 -3.862 -8.843 0.431
36 1HB LEU 5 2HB LEU 5 -3.001 -9.400 -1.857
37 2HB LEU 5 1HB LEU 5 -4.566 -8.588 -1.884
38 HG LEU 5 HG LEU 5 -2.175 -6.824 -1.965
39 1HD1 LEU 5 1HD1 LEU 5 -3.055 -8.164 -4.512
40 2HD1 LEU 5 2HD1 LEU 5 -1.800 -8.897 -3.514
41 3HD1 LEU 5 3HD1 LEU 5 -1.565 -7.282 -4.183
42 1HD2 LEU 5 1HD2 LEU 5 -4.608 -6.100 -2.076
43 2HD2 LEU 5 2HD2 LEU 5 -4.691 -6.882 -3.655
44 3HD2 LEU 5 3HD2 LEU 5 -3.602 -5.518 -3.401
45 H PHE 6 H PHE 6 -2.129 -6.672 1.546
46 HA PHE 6 HA PHE 6 0.501 -7.999 1.037
47 1HB PHE 6 2HB PHE 6 -0.238 -5.236 0.638
48 2HB PHE 6 1HB PHE 6 0.972 -5.331 1.915
49 HD1 PHE 6 1HD PHE 6 0.294 -5.799 -1.647
50 HD2 PHE 6 2HD PHE 6 3.185 -6.378 1.478
51 HE1 PHE 6 1HE PHE 6 2.062 -6.165 -3.348
52 HE2 PHE 6 2HE PHE 6 4.951 -6.743 -0.224
53 HZ PHE 6 HZ PHE 6 4.390 -6.636 -2.637
54 H GLY 7 H GLY 7 -0.527 -5.458 3.319
55 1HA GLY 7 2HA GLY 7 -0.834 -5.625 5.673
56 2HA GLY 7 1HA GLY 7 -0.417 -7.336 5.580
57 H ASN 8 H ASN 8 1.587 -4.868 4.102
58 HA ASN 8 HA ASN 8 3.517 -4.998 6.355
59 1HB ASN 8 2HB ASN 8 3.850 -6.713 4.280
60 2HB ASN 8 1HB ASN 8 4.703 -5.304 3.649
61 1HD2 ASN 8 1HD2 ASN 8 5.187 -8.066 5.476
62 2HD2 ASN 8 2HD2 ASN 8 6.544 -7.567 6.367
63 H GLY 9 H GLY 9 5.612 -3.628 5.201
64 1HA GLY 9 2HA GLY 9 4.325 -1.063 4.353
65 2HA GLY 9 1HA GLY 9 5.742 -1.127 5.399
66 H ARG 10 H ARG 10 5.532 -3.374 2.744
67 HA ARG 10 HA ARG 10 7.545 -1.740 1.246
68 1HB ARG 10 2HB ARG 10 7.386 -4.769 1.340
69 2HB ARG 10 1HB ARG 10 8.656 -3.794 0.601
70 1HG ARG 10 2HG ARG 10 9.034 -2.796 2.935
71 2HG ARG 10 1HG ARG 10 8.031 -4.116 3.539
72 1HD ARG 10 2HD ARG 10 9.582 -5.708 2.301
73 2HD ARG 10 1HD ARG 10 10.652 -4.330 2.043
74 HE ARG 10 HE ARG 10 10.267 -5.753 4.556
75 1HH1 ARG 10 1HH2 ARG 10 11.126 -2.694 3.095
76 2HH1 ARG 10 2HH2 ARG 10 12.035 -2.178 4.472
77 1HH2 ARG 10 1HH1 ARG 10 11.454 -5.046 6.315
78 2HH2 ARG 10 2HH1 ARG 10 12.220 -3.492 6.277
79 H CYS 11 H CYS 11 6.962 -1.292 -0.848
80 HA CYS 11 HA CYS 11 5.100 -3.109 -2.262
81 1HB CYS 11 2HB CYS 11 3.677 -1.110 -2.926
82 2HB CYS 11 1HB CYS 11 3.501 -1.637 -1.258
83 H SER 12 H SER 12 4.582 -1.975 -4.485
84 HA SER 12 HA SER 12 7.044 -0.676 -5.556
85 1HB SER 12 2HB SER 12 7.157 -3.058 -6.141
86 2HB SER 12 1HB SER 12 5.531 -2.983 -6.813
87 HG SER 12 HG SER 12 7.939 -2.111 -7.841
88 H SER 13 H SER 13 3.917 -0.167 -4.957
89 HA SER 13 HA SER 13 3.582 1.958 -6.799
90 1HB SER 13 2HB SER 13 3.276 0.422 -8.578
91 2HB SER 13 1HB SER 13 2.349 -0.688 -7.574
92 HG SER 13 HG SER 13 0.637 0.368 -8.158
93 H ASN 14 H ASN 14 1.268 2.807 -6.653
94 HA ASN 14 HA ASN 14 0.406 2.901 -3.951
95 1HB ASN 14 2HB ASN 14 -1.122 3.542 -6.482
96 2HB ASN 14 1HB ASN 14 -1.639 3.994 -4.860
97 1HD2 ASN 14 1HD2 ASN 14 -1.002 5.927 -6.944
98 2HD2 ASN 14 2HD2 ASN 14 0.354 6.806 -6.422
99 H ARG 15 H ARG 15 -0.818 0.966 -6.682
100 HA ARG 15 HA ARG 15 -2.981 -0.195 -5.168
101 1HB ARG 15 2HB ARG 15 -1.953 -0.342 -7.862
102 2HB ARG 15 1HB ARG 15 -2.347 -1.955 -7.269
103 1HG ARG 15 2HG ARG 15 -4.560 -0.825 -6.442
104 2HG ARG 15 1HG ARG 15 -4.153 0.423 -7.620
105 1HD ARG 15 2HD ARG 15 -5.522 -1.142 -8.792
106 2HD ARG 15 1HD ARG 15 -3.870 -1.467 -9.318
107 HE ARG 15 HE ARG 15 -4.018 -3.576 -8.288
108 1HH1 ARG 15 1HH2 ARG 15 -6.513 -1.462 -7.045
109 2HH1 ARG 15 2HH2 ARG 15 -7.266 -2.722 -6.133
110 1HH2 ARG 15 1HH1 ARG 15 -5.026 -5.176 -7.093
111 2HH2 ARG 15 2HH1 ARG 15 -6.436 -4.803 -6.159
112 H ASP 16 H ASP 16 0.350 -0.762 -5.058
113 HA ASP 16 HA ASP 16 0.175 -3.611 -4.407
114 1HB ASP 16 2HB ASP 16 2.275 -1.611 -4.851
115 2HB ASP 16 1HB ASP 16 2.646 -2.708 -3.523
116 H CYS 17 H CYS 17 -0.721 -0.880 -2.722
117 HA CYS 17 HA CYS 17 0.216 -1.939 -0.103
118 1HB CYS 17 2HB CYS 17 -0.943 0.738 -0.911
119 2HB CYS 17 1HB CYS 17 -0.578 0.287 0.754
120 H CYS 18 H CYS 18 -1.642 -1.151 1.646
121 HA CYS 18 HA CYS 18 -4.025 -2.715 0.853
122 1HB CYS 18 2HB CYS 18 -2.657 -2.044 3.422
123 2HB CYS 18 1HB CYS 18 -4.361 -2.434 3.455
124 H GLU 19 H GLU 19 -5.993 -1.823 2.391
125 HA GLU 19 HA GLU 19 -6.844 0.621 1.195
126 1HB GLU 19 2HB GLU 19 -8.102 -1.378 2.512
127 2HB GLU 19 1HB GLU 19 -8.056 -0.163 3.786
128 1HG GLU 19 2HG GLU 19 -9.009 0.474 0.988
129 2HG GLU 19 1HG GLU 19 -10.102 -0.099 2.248
130 H LEU 20 H LEU 20 -5.723 -0.088 4.484
131 HA LEU 20 HA LEU 20 -5.906 2.541 5.530
132 1HB LEU 20 2HB LEU 20 -4.170 1.792 7.169
133 2HB LEU 20 1HB LEU 20 -5.505 0.653 7.001
134 HG LEU 20 HG LEU 20 -3.337 0.149 5.081
135 1HD1 LEU 20 1HD1 LEU 20 -2.111 1.043 7.144
136 2HD1 LEU 20 2HD1 LEU 20 -1.654 -0.573 6.607
137 3HD1 LEU 20 3HD1 LEU 20 -2.723 -0.375 7.996
138 1HD2 LEU 20 1HD2 LEU 20 -5.139 -1.328 6.938
139 2HD2 LEU 20 2HD2 LEU 20 -3.620 -2.118 6.517
140 3HD2 LEU 20 3HD2 LEU 20 -4.754 -1.654 5.249
141 H THR 21 H THR 21 -3.657 1.211 3.262
142 HA THR 21 HA THR 21 -2.116 3.767 3.351
143 HB THR 21 HB THR 21 -0.157 2.295 2.530
144 HG1 THR 21 1HG THR 21 -0.333 0.166 2.882
145 1HG2 THR 21 1HG2 THR 21 -1.289 2.469 5.288
146 2HG2 THR 21 2HG2 THR 21 0.214 3.133 4.649
147 3HG2 THR 21 3HG2 THR 21 0.101 1.416 5.030
148 HA PRO 22 HA PRO 22 -3.630 3.161 -0.928
149 1HB PRO 22 2HB PRO 22 -4.491 5.725 -1.279
150 2HB PRO 22 1HB PRO 22 -5.459 4.473 -0.488
151 1HG PRO 22 2HG PRO 22 -4.171 6.829 0.678
152 2HG PRO 22 1HG PRO 22 -5.444 5.797 1.347
153 1HD PRO 22 2HD PRO 22 -2.608 5.765 1.946
154 2HD PRO 22 1HD PRO 22 -3.903 4.805 2.695
155 H VAL 23 H VAL 23 -0.923 4.511 0.312
156 HA VAL 23 HA VAL 23 -0.080 5.558 -2.362
157 HB VAL 23 HB VAL 23 0.814 6.640 0.326
158 1HG1 VAL 23 1HG1 VAL 23 2.569 7.090 -1.152
159 2HG1 VAL 23 2HG1 VAL 23 1.565 8.527 -1.348
160 3HG1 VAL 23 3HG1 VAL 23 1.492 7.231 -2.542
161 1HG2 VAL 23 1HG2 VAL 23 -1.343 7.435 -1.582
162 2HG2 VAL 23 2HG2 VAL 23 -0.439 8.710 -0.765
163 3HG2 VAL 23 3HG2 VAL 23 -1.322 7.510 0.180
164 H CYS 24 H CYS 24 2.114 5.222 -2.876
165 HA CYS 24 HA CYS 24 3.641 3.383 -1.111
166 1HB CYS 24 2HB CYS 24 2.451 1.974 -2.741
167 2HB CYS 24 1HB CYS 24 3.082 2.952 -4.061
168 H LYS 25 H LYS 25 5.021 5.161 -0.679
169 HA LYS 25 HA LYS 25 6.516 6.206 -3.056
170 1HB LYS 25 2HB LYS 25 5.335 7.932 -1.743
171 2HB LYS 25 1HB LYS 25 6.264 7.475 -0.322
172 1HG LYS 25 2HG LYS 25 7.419 9.340 -1.237
173 2HG LYS 25 1HG LYS 25 8.349 7.933 -1.756
174 1HD LYS 25 2HD LYS 25 8.124 9.207 -3.730
175 2HD LYS 25 1HD LYS 25 6.856 7.990 -3.876
176 1HE LYS 25 2HE LYS 25 5.713 9.973 -4.389
177 2HE LYS 25 1HE LYS 25 5.357 9.759 -2.675
178 1HZ LYS 25 1HZ LYS 25 7.322 11.198 -2.222
179 2HZ LYS 25 2HZ LYS 25 6.032 11.992 -2.991
180 3HZ LYS 25 3HZ LYS 25 7.404 11.533 -3.882
181 H ARG 26 H ARG 26 8.705 6.172 -3.035
182 HA ARG 26 HA ARG 26 10.844 5.324 -2.542
183 1HB ARG 26 2HB ARG 26 10.223 6.794 -0.442
184 2HB ARG 26 1HB ARG 26 10.101 5.230 0.364
185 1HG ARG 26 2HG ARG 26 12.386 4.668 -0.322
186 2HG ARG 26 1HG ARG 26 12.514 6.196 -1.195
187 1HD ARG 26 2HD ARG 26 11.920 6.043 1.769
188 2HD ARG 26 1HD ARG 26 13.555 6.191 1.124
189 HE ARG 26 HE ARG 26 11.604 8.320 1.296
190 1HH1 ARG 26 1HH2 ARG 26 14.241 7.070 -0.632
191 2HH1 ARG 26 2HH2 ARG 26 14.636 8.624 -1.279
192 1HH2 ARG 26 1HH1 ARG 26 12.150 10.311 0.434
193 2HH2 ARG 26 2HH1 ARG 26 13.466 10.440 -0.684
194 H GLY 27 H GLY 27 8.510 3.486 -2.929
195 1HA GLY 27 2HA GLY 27 8.145 1.169 -2.893
196 2HA GLY 27 1HA GLY 27 9.816 0.999 -2.348
197 H SER 28 H SER 28 7.392 2.904 -0.643
198 HA SER 28 HA SER 28 7.147 0.797 1.426
199 1HB SER 28 2HB SER 28 7.954 3.668 1.982
200 2HB SER 28 1HB SER 28 7.603 2.450 3.205
201 HG SER 28 HG SER 28 9.709 2.520 1.312
202 H CYS 29 H CYS 29 5.067 0.608 1.978
203 HA CYS 29 HA CYS 29 3.009 2.252 0.869
204 1HB CYS 29 2HB CYS 29 3.011 0.204 3.098
205 2HB CYS 29 1HB CYS 29 1.541 1.013 2.556
206 H VAL 30 H VAL 30 1.766 3.875 1.785
207 HA VAL 30 HA VAL 30 2.234 4.699 4.572
208 HB VAL 30 HB VAL 30 2.731 7.055 3.885
209 1HG1 VAL 30 1HG1 VAL 30 4.743 5.106 2.740
210 2HG1 VAL 30 2HG1 VAL 30 4.499 5.324 4.472
211 3HG1 VAL 30 3HG1 VAL 30 5.063 6.673 3.485
212 1HG2 VAL 30 1HG2 VAL 30 2.085 7.410 1.704
213 2HG2 VAL 30 2HG2 VAL 30 2.501 5.773 1.202
214 3HG2 VAL 30 3HG2 VAL 30 3.768 6.981 1.404
215 H SER 31 H SER 31 0.621 6.285 5.271
216 HA SER 31 HA SER 31 -1.914 5.961 3.781
217 1HB SER 31 2HB SER 31 -1.366 7.126 6.525
218 2HB SER 31 1HB SER 31 -2.961 6.841 5.837
219 HG SER 31 HG SER 31 -2.374 4.613 5.694
220 H SER 32 H SER 32 -0.195 7.629 2.424
221 HA SER 32 HA SER 32 -0.085 9.757 1.444
222 1HB SER 32 2HB SER 32 -2.685 9.267 1.625
223 2HB SER 32 1HB SER 32 -2.622 10.555 2.825
224 HG SER 32 HG SER 32 -2.974 11.454 0.802
Start of MODEL 7
1 1H LEU 1 1HT LEU 1 -14.578 -6.861 -1.488
2 2H LEU 1 2HT LEU 1 -15.932 -7.294 -0.558
3 3H LEU 1 3HT LEU 1 -14.573 -8.312 -0.611
4 HA LEU 1 HA LEU 1 -14.455 -5.547 0.442
5 1HB LEU 1 2HB LEU 1 -14.538 -6.629 2.697
6 2HB LEU 1 1HB LEU 1 -16.056 -6.769 1.811
7 HG LEU 1 HG LEU 1 -14.131 -8.967 1.330
8 1HD1 LEU 1 1HD1 LEU 1 -13.654 -8.863 3.641
9 2HD1 LEU 1 2HD1 LEU 1 -14.955 -10.048 3.535
10 3HD1 LEU 1 3HD1 LEU 1 -15.305 -8.398 4.052
11 1HD2 LEU 1 1HD2 LEU 1 -16.737 -8.551 0.763
12 2HD2 LEU 1 2HD2 LEU 1 -16.915 -9.374 2.313
13 3HD2 LEU 1 3HD2 LEU 1 -16.065 -10.166 0.988
14 H LEU 2 H LEU 2 -12.594 -6.836 -1.311
15 HA LEU 2 HA LEU 2 -10.398 -7.626 0.551
16 1HB LEU 2 2HB LEU 2 -11.219 -8.508 -2.115
17 2HB LEU 2 1HB LEU 2 -9.513 -8.075 -2.063
18 HG LEU 2 HG LEU 2 -9.844 -10.458 -1.515
19 1HD1 LEU 2 1HD1 LEU 2 -8.627 -8.494 0.308
20 2HD1 LEU 2 2HD1 LEU 2 -7.953 -9.979 -0.361
21 3HD1 LEU 2 3HD1 LEU 2 -8.978 -10.044 1.072
22 1HD2 LEU 2 1HD2 LEU 2 -11.303 -9.533 0.971
23 2HD2 LEU 2 2HD2 LEU 2 -11.129 -11.179 0.363
24 3HD2 LEU 2 3HD2 LEU 2 -12.155 -10.028 -0.492
25 H ALA 3 H ALA 3 -9.743 -5.517 1.153
26 HA ALA 3 HA ALA 3 -8.525 -3.915 -1.063
27 1HB ALA 3 1HB ALA 3 -9.153 -1.889 0.037
28 2HB ALA 3 2HB ALA 3 -9.616 -2.748 1.507
29 3HB ALA 3 3HB ALA 3 -10.598 -2.902 0.050
30 H CYS 4 H CYS 4 -7.076 -5.904 0.220
31 HA CYS 4 HA CYS 4 -4.790 -4.507 1.160
32 1HB CYS 4 2HB CYS 4 -6.177 -4.137 3.184
33 2HB CYS 4 1HB CYS 4 -6.412 -5.875 3.334
34 H LEU 5 H LEU 5 -3.669 -5.912 -0.176
35 HA LEU 5 HA LEU 5 -3.776 -8.813 0.558
36 1HB LEU 5 2HB LEU 5 -2.999 -9.232 -1.792
37 2HB LEU 5 1HB LEU 5 -4.600 -8.499 -1.700
38 HG LEU 5 HG LEU 5 -2.334 -6.589 -1.808
39 1HD1 LEU 5 1HD1 LEU 5 -3.171 -7.895 -4.384
40 2HD1 LEU 5 2HD1 LEU 5 -1.858 -8.590 -3.432
41 3HD1 LEU 5 3HD1 LEU 5 -1.729 -6.940 -4.041
42 1HD2 LEU 5 1HD2 LEU 5 -4.345 -5.481 -2.001
43 2HD2 LEU 5 2HD2 LEU 5 -5.149 -6.857 -2.758
44 3HD2 LEU 5 3HD2 LEU 5 -4.079 -5.827 -3.710
45 H PHE 6 H PHE 6 -2.028 -6.584 1.636
46 HA PHE 6 HA PHE 6 0.602 -7.799 0.890
47 1HB PHE 6 2HB PHE 6 -0.265 -4.986 1.094
48 2HB PHE 6 1HB PHE 6 1.243 -5.334 1.934
49 HD1 PHE 6 1HD PHE 6 3.216 -5.200 0.710
50 HD2 PHE 6 2HD PHE 6 -0.445 -6.161 -1.319
51 HE1 PHE 6 1HE PHE 6 4.424 -5.228 -1.456
52 HE2 PHE 6 2HE PHE 6 0.763 -6.187 -3.485
53 HZ PHE 6 HZ PHE 6 3.198 -5.722 -3.552
54 H GLY 7 H GLY 7 -0.345 -5.558 3.498
55 1HA GLY 7 2HA GLY 7 -0.597 -6.126 5.828
56 2HA GLY 7 1HA GLY 7 0.147 -7.690 5.497
57 H ASN 8 H ASN 8 2.282 -6.207 3.866
58 HA ASN 8 HA ASN 8 3.994 -5.544 6.204
59 1HB ASN 8 2HB ASN 8 4.528 -7.183 4.134
60 2HB ASN 8 1HB ASN 8 5.115 -5.670 3.446
61 1HD2 ASN 8 1HD2 ASN 8 7.249 -5.190 3.970
62 2HD2 ASN 8 2HD2 ASN 8 8.073 -5.767 5.336
63 H GLY 9 H GLY 9 5.819 -3.834 5.288
64 1HA GLY 9 2HA GLY 9 4.214 -1.461 4.431
65 2HA GLY 9 1HA GLY 9 5.657 -1.371 5.440
66 H ARG 10 H ARG 10 5.629 -3.549 2.712
67 HA ARG 10 HA ARG 10 7.442 -1.668 1.250
68 1HB ARG 10 2HB ARG 10 7.508 -4.701 1.222
69 2HB ARG 10 1HB ARG 10 8.652 -3.622 0.425
70 1HG ARG 10 2HG ARG 10 8.309 -3.094 3.310
71 2HG ARG 10 1HG ARG 10 8.994 -4.676 2.943
72 1HD ARG 10 2HD ARG 10 10.408 -3.096 1.220
73 2HD ARG 10 1HD ARG 10 10.161 -1.986 2.569
74 HE ARG 10 HE ARG 10 11.614 -3.313 3.864
75 1HH1 ARG 10 1HH2 ARG 10 10.575 -5.076 1.028
76 2HH1 ARG 10 2HH2 ARG 10 11.668 -6.384 1.319
77 1HH2 ARG 10 1HH1 ARG 10 13.010 -5.028 4.202
78 2HH2 ARG 10 2HH1 ARG 10 13.032 -6.359 3.095
79 H CYS 11 H CYS 11 6.929 -1.286 -0.898
80 HA CYS 11 HA CYS 11 5.030 -3.088 -2.278
81 1HB CYS 11 2HB CYS 11 3.636 -1.073 -2.958
82 2HB CYS 11 1HB CYS 11 3.453 -1.587 -1.289
83 H SER 12 H SER 12 4.519 -1.982 -4.513
84 HA SER 12 HA SER 12 7.005 -0.750 -5.611
85 1HB SER 12 2HB SER 12 5.386 -2.846 -7.069
86 2HB SER 12 1HB SER 12 6.963 -2.199 -7.515
87 HG SER 12 HG SER 12 7.723 -3.110 -5.494
88 H SER 13 H SER 13 3.880 -0.160 -4.989
89 HA SER 13 HA SER 13 3.604 2.002 -6.794
90 1HB SER 13 2HB SER 13 3.280 0.509 -8.607
91 2HB SER 13 1HB SER 13 2.317 -0.598 -7.634
92 HG SER 13 HG SER 13 1.599 1.710 -8.960
93 H ASN 14 H ASN 14 1.294 2.884 -6.663
94 HA ASN 14 HA ASN 14 0.415 2.966 -3.965
95 1HB ASN 14 2HB ASN 14 -0.757 3.825 -6.585
96 2HB ASN 14 1HB ASN 14 -1.769 3.866 -5.142
97 1HD2 ASN 14 1HD2 ASN 14 -1.767 6.241 -5.136
98 2HD2 ASN 14 2HD2 ASN 14 -0.387 7.113 -4.672
99 H ARG 15 H ARG 15 -0.828 1.081 -6.726
100 HA ARG 15 HA ARG 15 -3.013 -0.068 -5.233
101 1HB ARG 15 2HB ARG 15 -1.986 -0.183 -7.924
102 2HB ARG 15 1HB ARG 15 -2.378 -1.805 -7.361
103 1HG ARG 15 2HG ARG 15 -4.255 0.571 -7.194
104 2HG ARG 15 1HG ARG 15 -4.317 -0.666 -8.449
105 1HD ARG 15 2HD ARG 15 -4.299 -2.221 -6.207
106 2HD ARG 15 1HD ARG 15 -5.170 -0.805 -5.619
107 HE ARG 15 HE ARG 15 -6.353 -1.393 -8.071
108 1HH1 ARG 15 1HH2 ARG 15 -5.789 -3.112 -5.079
109 2HH1 ARG 15 2HH2 ARG 15 -7.194 -4.102 -5.265
110 1HH2 ARG 15 1HH1 ARG 15 -8.161 -2.695 -8.273
111 2HH2 ARG 15 2HH1 ARG 15 -8.524 -3.870 -7.054
112 H ASP 16 H ASP 16 0.305 -0.677 -5.096
113 HA ASP 16 HA ASP 16 0.084 -3.536 -4.484
114 1HB ASP 16 2HB ASP 16 2.211 -1.581 -4.942
115 2HB ASP 16 1HB ASP 16 2.572 -2.653 -3.591
116 H CYS 17 H CYS 17 -0.788 -0.822 -2.778
117 HA CYS 17 HA CYS 17 0.151 -1.906 -0.168
118 1HB CYS 17 2HB CYS 17 -0.972 0.793 -0.956
119 2HB CYS 17 1HB CYS 17 -0.594 0.330 0.703
120 H CYS 18 H CYS 18 -1.645 -1.186 1.616
121 HA CYS 18 HA CYS 18 -4.049 -2.715 0.864
122 1HB CYS 18 2HB CYS 18 -2.777 -1.840 3.446
123 2HB CYS 18 1HB CYS 18 -4.418 -2.448 3.409
124 H GLU 19 H GLU 19 -6.046 -1.777 2.293
125 HA GLU 19 HA GLU 19 -6.861 0.642 1.022
126 1HB GLU 19 2HB GLU 19 -8.156 -1.337 2.342
127 2HB GLU 19 1HB GLU 19 -8.159 -0.090 3.584
128 1HG GLU 19 2HG GLU 19 -8.945 1.476 1.629
129 2HG GLU 19 1HG GLU 19 -9.412 -0.039 0.854
130 H LEU 20 H LEU 20 -5.835 -0.008 4.352
131 HA LEU 20 HA LEU 20 -6.056 2.639 5.346
132 1HB LEU 20 2HB LEU 20 -4.402 1.924 7.066
133 2HB LEU 20 1HB LEU 20 -5.703 0.753 6.849
134 HG LEU 20 HG LEU 20 -3.418 0.301 5.048
135 1HD1 LEU 20 1HD1 LEU 20 -2.380 1.192 7.233
136 2HD1 LEU 20 2HD1 LEU 20 -1.812 -0.374 6.654
137 3HD1 LEU 20 3HD1 LEU 20 -2.977 -0.292 7.975
138 1HD2 LEU 20 1HD2 LEU 20 -5.544 -1.147 5.959
139 2HD2 LEU 20 2HD2 LEU 20 -4.276 -1.724 7.038
140 3HD2 LEU 20 3HD2 LEU 20 -4.083 -1.873 5.292
141 H THR 21 H THR 21 -3.738 1.272 3.174
142 HA THR 21 HA THR 21 -2.184 3.821 3.290
143 HB THR 21 HB THR 21 -0.204 2.366 2.554
144 HG1 THR 21 1HG THR 21 -1.912 0.357 3.597
145 1HG2 THR 21 1HG2 THR 21 0.110 1.489 4.955
146 2HG2 THR 21 2HG2 THR 21 -1.469 2.200 5.287
147 3HG2 THR 21 3HG2 THR 21 -0.136 3.225 4.758
148 HA PRO 22 HA PRO 22 -3.583 3.229 -1.030
149 1HB PRO 22 2HB PRO 22 -4.450 5.790 -1.387
150 2HB PRO 22 1HB PRO 22 -5.431 4.528 -0.626
151 1HG PRO 22 2HG PRO 22 -4.196 6.887 0.583
152 2HG PRO 22 1HG PRO 22 -5.463 5.831 1.222
153 1HD PRO 22 2HD PRO 22 -2.628 5.833 1.855
154 2HD PRO 22 1HD PRO 22 -3.926 4.873 2.600
155 H VAL 23 H VAL 23 -0.921 4.583 0.294
156 HA VAL 23 HA VAL 23 -0.016 5.694 -2.335
157 HB VAL 23 HB VAL 23 0.864 6.659 0.401
158 1HG1 VAL 23 1HG1 VAL 23 2.620 7.199 -1.022
159 2HG1 VAL 23 2HG1 VAL 23 1.591 8.615 -1.234
160 3HG1 VAL 23 3HG1 VAL 23 1.572 7.324 -2.435
161 1HG2 VAL 23 1HG2 VAL 23 -0.384 8.778 -0.592
162 2HG2 VAL 23 2HG2 VAL 23 -1.276 7.536 0.288
163 3HG2 VAL 23 3HG2 VAL 23 -1.289 7.548 -1.476
164 H CYS 24 H CYS 24 2.140 5.280 -2.876
165 HA CYS 24 HA CYS 24 3.637 3.402 -1.122
166 1HB CYS 24 2HB CYS 24 2.428 2.032 -2.764
167 2HB CYS 24 1HB CYS 24 3.063 3.016 -4.076
168 H LYS 25 H LYS 25 5.030 5.173 -0.665
169 HA LYS 25 HA LYS 25 6.596 6.169 -3.019
170 1HB LYS 25 2HB LYS 25 5.411 7.934 -1.759
171 2HB LYS 25 1HB LYS 25 6.299 7.483 -0.310
172 1HG LYS 25 2HG LYS 25 8.253 8.422 -1.062
173 2HG LYS 25 1HG LYS 25 7.916 8.022 -2.746
174 1HD LYS 25 2HD LYS 25 7.788 10.432 -2.500
175 2HD LYS 25 1HD LYS 25 6.156 9.814 -2.755
176 1HE LYS 25 2HE LYS 25 5.552 10.875 -0.861
177 2HE LYS 25 1HE LYS 25 6.536 9.714 0.030
178 1HZ LYS 25 1HZ LYS 25 7.388 12.347 -1.037
179 2HZ LYS 25 2HZ LYS 25 8.465 11.196 -0.403
180 3HZ LYS 25 3HZ LYS 25 7.272 11.887 0.591
181 H ARG 26 H ARG 26 8.783 6.106 -2.936
182 HA ARG 26 HA ARG 26 10.890 5.226 -2.377
183 1HB ARG 26 2HB ARG 26 10.254 6.740 -0.320
184 2HB ARG 26 1HB ARG 26 10.064 5.196 0.509
185 1HG ARG 26 2HG ARG 26 12.330 4.579 0.090
186 2HG ARG 26 1HG ARG 26 12.542 5.887 -1.075
187 1HD ARG 26 2HD ARG 26 12.078 7.503 0.838
188 2HD ARG 26 1HD ARG 26 12.220 6.120 1.924
189 HE ARG 26 HE ARG 26 14.537 6.005 0.418
190 1HH1 ARG 26 1HH2 ARG 26 12.990 8.471 2.355
191 2HH1 ARG 26 2HH2 ARG 26 14.490 9.222 2.775
192 1HH2 ARG 26 1HH1 ARG 26 16.453 7.007 0.986
193 2HH2 ARG 26 2HH1 ARG 26 16.430 8.404 2.010
194 H GLY 27 H GLY 27 8.533 3.420 -2.792
195 1HA GLY 27 2HA GLY 27 8.137 1.109 -2.737
196 2HA GLY 27 1HA GLY 27 9.789 0.923 -2.145
197 H SER 28 H SER 28 7.345 2.882 -0.533
198 HA SER 28 HA SER 28 7.016 0.807 1.556
199 1HB SER 28 2HB SER 28 8.031 3.625 1.977
200 2HB SER 28 1HB SER 28 7.327 2.669 3.278
201 HG SER 28 HG SER 28 9.036 1.405 3.283
202 H CYS 29 H CYS 29 4.927 0.664 2.091
203 HA CYS 29 HA CYS 29 2.928 2.352 0.905
204 1HB CYS 29 2HB CYS 29 2.786 0.272 3.104
205 2HB CYS 29 1HB CYS 29 1.366 1.078 2.438
206 H VAL 30 H VAL 30 1.692 3.980 1.811
207 HA VAL 30 HA VAL 30 2.036 4.701 4.644
208 HB VAL 30 HB VAL 30 2.606 7.071 4.053
209 1HG1 VAL 30 1HG1 VAL 30 4.278 5.119 4.586
210 2HG1 VAL 30 2HG1 VAL 30 4.905 6.655 3.988
211 3HG1 VAL 30 3HG1 VAL 30 4.728 5.287 2.889
212 1HG2 VAL 30 1HG2 VAL 30 2.031 7.426 1.830
213 2HG2 VAL 30 2HG2 VAL 30 2.613 5.843 1.316
214 3HG2 VAL 30 3HG2 VAL 30 3.762 7.133 1.666
215 H SER 31 H SER 31 0.482 6.448 5.251
216 HA SER 31 HA SER 31 -2.024 6.138 3.707
217 1HB SER 31 2HB SER 31 -2.807 7.575 5.819
218 2HB SER 31 1HB SER 31 -2.568 5.833 5.929
219 HG SER 31 HG SER 31 -0.644 6.153 6.904
220 H SER 32 H SER 32 -0.196 7.679 2.328
221 HA SER 32 HA SER 32 0.015 9.748 1.249
222 1HB SER 32 2HB SER 32 -2.499 9.441 1.108
223 2HB SER 32 1HB SER 32 -2.630 10.427 2.561
224 HG SER 32 HG SER 32 -2.550 12.041 1.220
Start of MODEL 8
1 1H LEU 1 1HT LEU 1 -16.091 -7.336 0.272
2 2H LEU 1 2HT LEU 1 -15.464 -8.817 -0.274
3 3H LEU 1 3HT LEU 1 -15.206 -7.399 -1.173
4 HA LEU 1 HA LEU 1 -14.068 -6.550 0.974
5 1HB LEU 1 2HB LEU 1 -13.953 -9.570 1.239
6 2HB LEU 1 1HB LEU 1 -12.950 -8.447 2.158
7 HG LEU 1 HG LEU 1 -15.350 -7.357 2.670
8 1HD1 LEU 1 1HD1 LEU 1 -16.795 -8.806 1.523
9 2HD1 LEU 1 2HD1 LEU 1 -16.829 -9.457 3.162
10 3HD1 LEU 1 3HD1 LEU 1 -15.839 -10.232 1.925
11 1HD2 LEU 1 1HD2 LEU 1 -14.731 -9.816 4.250
12 2HD2 LEU 1 2HD2 LEU 1 -15.046 -8.173 4.809
13 3HD2 LEU 1 3HD2 LEU 1 -13.470 -8.588 4.135
14 H LEU 2 H LEU 2 -12.395 -5.725 -0.168
15 HA LEU 2 HA LEU 2 -10.265 -7.346 -1.191
16 1HB LEU 2 2HB LEU 2 -12.312 -7.517 -2.906
17 2HB LEU 2 1HB LEU 2 -11.638 -5.987 -3.469
18 HG LEU 2 HG LEU 2 -9.352 -7.304 -3.356
19 1HD1 LEU 2 1HD1 LEU 2 -10.018 -9.723 -4.209
20 2HD1 LEU 2 2HD1 LEU 2 -11.472 -9.421 -3.256
21 3HD1 LEU 2 3HD1 LEU 2 -9.888 -9.388 -2.483
22 1HD2 LEU 2 1HD2 LEU 2 -10.046 -6.470 -5.451
23 2HD2 LEU 2 2HD2 LEU 2 -11.508 -7.457 -5.460
24 3HD2 LEU 2 3HD2 LEU 2 -9.935 -8.208 -5.727
25 H ALA 3 H ALA 3 -9.203 -5.701 0.103
26 HA ALA 3 HA ALA 3 -8.371 -3.392 -1.468
27 1HB ALA 3 1HB ALA 3 -10.180 -3.063 0.925
28 2HB ALA 3 2HB ALA 3 -10.309 -2.305 -0.663
29 3HB ALA 3 3HB ALA 3 -9.045 -1.795 0.457
30 H CYS 4 H CYS 4 -7.138 -5.702 -0.171
31 HA CYS 4 HA CYS 4 -4.868 -4.448 0.993
32 1HB CYS 4 2HB CYS 4 -6.397 -4.063 2.906
33 2HB CYS 4 1HB CYS 4 -6.719 -5.791 2.988
34 H LEU 5 H LEU 5 -3.729 -5.873 -0.317
35 HA LEU 5 HA LEU 5 -3.920 -8.764 0.438
36 1HB LEU 5 2HB LEU 5 -3.196 -9.257 -1.918
37 2HB LEU 5 1HB LEU 5 -4.791 -8.511 -1.811
38 HG LEU 5 HG LEU 5 -2.487 -6.647 -2.039
39 1HD1 LEU 5 1HD1 LEU 5 -2.744 -7.016 -4.629
40 2HD1 LEU 5 2HD1 LEU 5 -3.265 -8.633 -4.155
41 3HD1 LEU 5 3HD1 LEU 5 -1.660 -8.058 -3.707
42 1HD2 LEU 5 1HD2 LEU 5 -5.128 -6.794 -3.522
43 2HD2 LEU 5 2HD2 LEU 5 -4.073 -5.390 -3.359
44 3HD2 LEU 5 3HD2 LEU 5 -4.938 -6.011 -1.952
45 H PHE 6 H PHE 6 -2.164 -6.599 1.490
46 HA PHE 6 HA PHE 6 0.463 -7.788 0.691
47 1HB PHE 6 2HB PHE 6 -0.420 -5.004 0.785
48 2HB PHE 6 1HB PHE 6 1.010 -5.266 1.780
49 HD1 PHE 6 1HD PHE 6 3.077 -5.063 0.731
50 HD2 PHE 6 2HD PHE 6 -0.323 -6.322 -1.573
51 HE1 PHE 6 1HE PHE 6 4.484 -5.129 -1.311
52 HE2 PHE 6 2HE PHE 6 1.084 -6.387 -3.614
53 HZ PHE 6 HZ PHE 6 3.487 -5.790 -3.483
54 H GLY 7 H GLY 7 -0.451 -5.551 3.315
55 1HA GLY 7 2HA GLY 7 -0.571 -5.989 5.652
56 2HA GLY 7 1HA GLY 7 -0.119 -7.664 5.336
57 H ASN 8 H ASN 8 1.684 -4.940 4.041
58 HA ASN 8 HA ASN 8 3.764 -5.182 6.126
59 1HB ASN 8 2HB ASN 8 4.340 -5.747 3.200
60 2HB ASN 8 1HB ASN 8 5.539 -5.667 4.491
61 1HD2 ASN 8 1HD2 ASN 8 3.616 -7.834 2.762
62 2HD2 ASN 8 2HD2 ASN 8 3.630 -9.124 3.865
63 H GLY 9 H GLY 9 5.671 -3.616 5.416
64 1HA GLY 9 2HA GLY 9 4.358 -1.105 4.484
65 2HA GLY 9 1HA GLY 9 5.790 -1.171 5.508
66 H ARG 10 H ARG 10 5.614 -3.343 2.797
67 HA ARG 10 HA ARG 10 7.523 -1.591 1.299
68 1HB ARG 10 2HB ARG 10 8.572 -3.736 0.495
69 2HB ARG 10 1HB ARG 10 8.766 -3.459 2.225
70 1HG ARG 10 2HG ARG 10 6.864 -4.942 2.696
71 2HG ARG 10 1HG ARG 10 6.620 -5.195 0.968
72 1HD ARG 10 2HD ARG 10 9.367 -5.723 1.933
73 2HD ARG 10 1HD ARG 10 8.135 -6.831 2.537
74 HE ARG 10 HE ARG 10 9.103 -6.684 -0.199
75 1HH1 ARG 10 1HH2 ARG 10 6.346 -7.454 1.811
76 2HH1 ARG 10 2HH2 ARG 10 5.664 -8.526 0.638
77 1HH2 ARG 10 1HH1 ARG 10 8.184 -8.079 -1.688
78 2HH2 ARG 10 2HH1 ARG 10 6.691 -8.878 -1.322
79 H CYS 11 H CYS 11 6.976 -1.239 -0.828
80 HA CYS 11 HA CYS 11 5.128 -3.108 -2.190
81 1HB CYS 11 2HB CYS 11 3.689 -1.128 -2.900
82 2HB CYS 11 1HB CYS 11 3.507 -1.639 -1.229
83 H SER 12 H SER 12 4.593 -2.026 -4.441
84 HA SER 12 HA SER 12 7.050 -0.746 -5.545
85 1HB SER 12 2HB SER 12 7.234 -3.073 -6.154
86 2HB SER 12 1HB SER 12 5.545 -3.128 -6.654
87 HG SER 12 HG SER 12 7.449 -2.730 -8.241
88 H SER 13 H SER 13 3.930 -0.214 -4.933
89 HA SER 13 HA SER 13 3.592 1.885 -6.804
90 1HB SER 13 2HB SER 13 3.264 0.332 -8.561
91 2HB SER 13 1HB SER 13 2.354 -0.771 -7.534
92 HG SER 13 HG SER 13 0.948 0.391 -8.868
93 H ASN 14 H ASN 14 1.293 2.757 -6.647
94 HA ASN 14 HA ASN 14 0.445 2.878 -3.938
95 1HB ASN 14 2HB ASN 14 -0.677 3.756 -6.559
96 2HB ASN 14 1HB ASN 14 -1.774 3.712 -5.180
97 1HD2 ASN 14 1HD2 ASN 14 -1.911 5.978 -4.766
98 2HD2 ASN 14 2HD2 ASN 14 -0.571 6.923 -4.328
99 H ARG 15 H ARG 15 -0.817 0.951 -6.660
100 HA ARG 15 HA ARG 15 -2.988 -0.176 -5.133
101 1HB ARG 15 2HB ARG 15 -1.979 -0.339 -7.829
102 2HB ARG 15 1HB ARG 15 -2.365 -1.951 -7.233
103 1HG ARG 15 2HG ARG 15 -4.474 -1.391 -7.923
104 2HG ARG 15 1HG ARG 15 -4.540 -0.601 -6.348
105 1HD ARG 15 2HD ARG 15 -3.411 0.902 -8.686
106 2HD ARG 15 1HD ARG 15 -5.160 0.754 -8.525
107 HE ARG 15 HE ARG 15 -4.364 1.592 -6.020
108 1HH1 ARG 15 1HH2 ARG 15 -3.816 2.770 -9.267
109 2HH1 ARG 15 2HH2 ARG 15 -3.680 4.415 -8.755
110 1HH2 ARG 15 1HH1 ARG 15 -4.181 3.733 -5.402
111 2HH2 ARG 15 2HH1 ARG 15 -3.882 4.957 -6.591
112 H ASP 16 H ASP 16 0.333 -0.772 -5.011
113 HA ASP 16 HA ASP 16 0.136 -3.621 -4.357
114 1HB ASP 16 2HB ASP 16 2.248 -1.641 -4.810
115 2HB ASP 16 1HB ASP 16 2.611 -2.722 -3.468
116 H CYS 17 H CYS 17 -0.755 -0.888 -2.681
117 HA CYS 17 HA CYS 17 0.167 -1.950 -0.056
118 1HB CYS 17 2HB CYS 17 -0.962 0.741 -0.865
119 2HB CYS 17 1HB CYS 17 -0.582 0.288 0.795
120 H CYS 18 H CYS 18 -1.683 -1.152 1.689
121 HA CYS 18 HA CYS 18 -4.082 -2.683 0.885
122 1HB CYS 18 2HB CYS 18 -2.750 -1.986 3.477
123 2HB CYS 18 1HB CYS 18 -4.440 -2.441 3.467
124 H GLU 19 H GLU 19 -6.049 -1.770 2.406
125 HA GLU 19 HA GLU 19 -6.866 0.686 1.209
126 1HB GLU 19 2HB GLU 19 -8.160 -1.296 2.514
127 2HB GLU 19 1HB GLU 19 -8.098 -0.089 3.795
128 1HG GLU 19 2HG GLU 19 -8.872 1.524 1.816
129 2HG GLU 19 1HG GLU 19 -9.511 0.015 1.165
130 H LEU 20 H LEU 20 -5.762 -0.044 4.498
131 HA LEU 20 HA LEU 20 -5.918 2.575 5.564
132 1HB LEU 20 2HB LEU 20 -4.220 1.814 7.206
133 2HB LEU 20 1HB LEU 20 -5.505 0.628 6.984
134 HG LEU 20 HG LEU 20 -3.419 0.139 5.042
135 1HD1 LEU 20 1HD1 LEU 20 -2.370 -0.248 7.821
136 2HD1 LEU 20 2HD1 LEU 20 -2.191 1.336 7.067
137 3HD1 LEU 20 3HD1 LEU 20 -1.488 -0.088 6.302
138 1HD2 LEU 20 1HD2 LEU 20 -3.871 -1.627 7.413
139 2HD2 LEU 20 2HD2 LEU 20 -3.742 -2.052 5.706
140 3HD2 LEU 20 3HD2 LEU 20 -5.234 -1.346 6.328
141 H THR 21 H THR 21 -3.674 1.232 3.295
142 HA THR 21 HA THR 21 -2.142 3.795 3.350
143 HB THR 21 HB THR 21 -0.170 2.338 2.565
144 HG1 THR 21 1HG THR 21 -0.341 0.167 3.224
145 1HG2 THR 21 1HG2 THR 21 -1.340 2.394 5.328
146 2HG2 THR 21 2HG2 THR 21 0.092 3.214 4.708
147 3HG2 THR 21 3HG2 THR 21 0.139 1.481 5.031
148 HA PRO 22 HA PRO 22 -3.643 3.124 -0.923
149 1HB PRO 22 2HB PRO 22 -4.522 5.678 -1.306
150 2HB PRO 22 1HB PRO 22 -5.482 4.430 -0.500
151 1HG PRO 22 2HG PRO 22 -4.219 6.809 0.636
152 2HG PRO 22 1HG PRO 22 -5.474 5.769 1.323
153 1HD PRO 22 2HD PRO 22 -2.628 5.779 1.897
154 2HD PRO 22 1HD PRO 22 -3.908 4.827 2.680
155 H VAL 23 H VAL 23 -0.941 4.484 0.297
156 HA VAL 23 HA VAL 23 -0.103 5.525 -2.381
157 HB VAL 23 HB VAL 23 0.790 6.619 0.302
158 1HG1 VAL 23 1HG1 VAL 23 1.410 7.283 -2.575
159 2HG1 VAL 23 2HG1 VAL 23 2.535 6.997 -1.247
160 3HG1 VAL 23 3HG1 VAL 23 1.597 8.489 -1.301
161 1HG2 VAL 23 1HG2 VAL 23 -1.574 7.157 -0.209
162 2HG2 VAL 23 2HG2 VAL 23 -1.070 7.816 -1.765
163 3HG2 VAL 23 3HG2 VAL 23 -0.547 8.589 -0.269
164 H CYS 24 H CYS 24 2.099 5.206 -2.885
165 HA CYS 24 HA CYS 24 3.625 3.369 -1.117
166 1HB CYS 24 2HB CYS 24 2.442 1.962 -2.757
167 2HB CYS 24 1HB CYS 24 3.084 2.940 -4.073
168 H LYS 25 H LYS 25 4.999 5.146 -0.674
169 HA LYS 25 HA LYS 25 6.523 6.178 -3.041
170 1HB LYS 25 2HB LYS 25 5.295 7.917 -1.782
171 2HB LYS 25 1HB LYS 25 6.203 7.496 -0.337
172 1HG LYS 25 2HG LYS 25 7.352 9.358 -1.272
173 2HG LYS 25 1HG LYS 25 8.309 7.953 -1.735
174 1HD LYS 25 2HD LYS 25 8.075 9.285 -3.714
175 2HD LYS 25 1HD LYS 25 6.982 7.915 -3.908
176 1HE LYS 25 2HE LYS 25 5.072 9.214 -3.469
177 2HE LYS 25 1HE LYS 25 6.005 10.483 -2.676
178 1HZ LYS 25 1HZ LYS 25 6.955 11.103 -4.774
179 2HZ LYS 25 2HZ LYS 25 5.262 11.094 -4.922
180 3HZ LYS 25 3HZ LYS 25 6.180 9.816 -5.564
181 H ARG 26 H ARG 26 8.715 6.179 -2.964
182 HA ARG 26 HA ARG 26 10.850 5.367 -2.403
183 1HB ARG 26 2HB ARG 26 10.151 6.838 -0.328
184 2HB ARG 26 1HB ARG 26 10.028 5.276 0.481
185 1HG ARG 26 2HG ARG 26 12.325 4.749 -0.024
186 2HG ARG 26 1HG ARG 26 12.472 6.163 -1.068
187 1HD ARG 26 2HD ARG 26 12.335 7.667 0.776
188 2HD ARG 26 1HD ARG 26 11.774 6.398 1.864
189 HE ARG 26 HE ARG 26 14.546 6.934 1.138
190 1HH1 ARG 26 1HH2 ARG 26 12.274 4.500 2.211
191 2HH1 ARG 26 2HH2 ARG 26 13.507 3.528 2.935
192 1HH2 ARG 26 1HH1 ARG 26 16.106 5.643 2.087
193 2HH2 ARG 26 2HH1 ARG 26 15.652 4.165 2.866
194 H GLY 27 H GLY 27 8.555 3.501 -2.853
195 1HA GLY 27 2HA GLY 27 8.206 1.183 -2.812
196 2HA GLY 27 1HA GLY 27 9.868 1.030 -2.235
197 H SER 28 H SER 28 7.401 2.919 -0.576
198 HA SER 28 HA SER 28 7.133 0.809 1.488
199 1HB SER 28 2HB SER 28 8.313 3.540 1.834
200 2HB SER 28 1HB SER 28 7.339 2.874 3.142
201 HG SER 28 HG SER 28 9.557 1.611 1.889
202 H CYS 29 H CYS 29 5.050 0.616 2.028
203 HA CYS 29 HA CYS 29 2.996 2.241 0.880
204 1HB CYS 29 2HB CYS 29 2.986 0.207 3.120
205 2HB CYS 29 1HB CYS 29 1.517 1.010 2.565
206 H VAL 30 H VAL 30 1.750 3.881 1.767
207 HA VAL 30 HA VAL 30 2.189 4.719 4.556
208 HB VAL 30 HB VAL 30 2.713 7.064 3.864
209 1HG1 VAL 30 1HG1 VAL 30 5.043 6.663 3.474
210 2HG1 VAL 30 2HG1 VAL 30 4.714 5.103 2.718
211 3HG1 VAL 30 3HG1 VAL 30 4.468 5.312 4.451
212 1HG2 VAL 30 1HG2 VAL 30 3.752 6.982 1.385
213 2HG2 VAL 30 2HG2 VAL 30 2.070 7.419 1.681
214 3HG2 VAL 30 3HG2 VAL 30 2.479 5.779 1.182
215 H SER 31 H SER 31 0.611 6.394 5.195
216 HA SER 31 HA SER 31 -1.934 6.040 3.724
217 1HB SER 31 2HB SER 31 -1.327 7.266 6.430
218 2HB SER 31 1HB SER 31 -2.942 7.083 5.750
219 HG SER 31 HG SER 31 -1.314 5.248 6.943
220 H SER 32 H SER 32 -0.183 7.622 2.300
221 HA SER 32 HA SER 32 0.033 9.711 1.275
222 1HB SER 32 2HB SER 32 -1.976 10.814 0.816
223 2HB SER 32 1HB SER 32 -2.524 9.184 1.178
224 HG SER 32 HG SER 32 -3.257 11.403 2.349
Start of MODEL 9
1 1H LEU 1 1HT LEU 1 -12.709 -8.122 -6.473
2 2H LEU 1 2HT LEU 1 -13.683 -8.463 -5.123
3 3H LEU 1 3HT LEU 1 -13.044 -9.731 -6.056
4 HA LEU 1 HA LEU 1 -11.618 -9.739 -4.271
5 1HB LEU 1 2HB LEU 1 -10.380 -7.694 -6.140
6 2HB LEU 1 1HB LEU 1 -9.521 -8.801 -5.068
7 HG LEU 1 HG LEU 1 -11.361 -9.713 -7.295
8 1HD1 LEU 1 1HD1 LEU 1 -9.213 -10.313 -8.457
9 2HD1 LEU 1 2HD1 LEU 1 -8.346 -9.401 -7.221
10 3HD1 LEU 1 3HD1 LEU 1 -9.469 -8.574 -8.301
11 1HD2 LEU 1 1HD2 LEU 1 -9.425 -11.085 -5.417
12 2HD2 LEU 1 2HD2 LEU 1 -9.999 -11.849 -6.899
13 3HD2 LEU 1 3HD2 LEU 1 -11.145 -11.413 -5.631
14 H LEU 2 H LEU 2 -9.800 -7.868 -3.329
15 HA LEU 2 HA LEU 2 -11.498 -5.647 -2.289
16 1HB LEU 2 2HB LEU 2 -9.569 -7.331 -0.658
17 2HB LEU 2 1HB LEU 2 -10.549 -5.995 -0.055
18 HG LEU 2 HG LEU 2 -12.522 -7.435 -1.115
19 1HD1 LEU 2 1HD1 LEU 2 -11.747 -9.890 -0.313
20 2HD1 LEU 2 2HD1 LEU 2 -10.196 -9.277 -0.889
21 3HD1 LEU 2 3HD1 LEU 2 -11.581 -9.340 -1.980
22 1HD2 LEU 2 1HD2 LEU 2 -11.156 -7.995 1.536
23 2HD2 LEU 2 2HD2 LEU 2 -12.801 -8.492 1.137
24 3HD2 LEU 2 3HD2 LEU 2 -12.396 -6.778 1.234
25 H ALA 3 H ALA 3 -9.549 -4.432 -0.719
26 HA ALA 3 HA ALA 3 -7.380 -3.830 -2.685
27 1HB ALA 3 1HB ALA 3 -9.033 -1.948 -0.986
28 2HB ALA 3 2HB ALA 3 -8.844 -1.943 -2.740
29 3HB ALA 3 3HB ALA 3 -7.496 -1.465 -1.706
30 H CYS 4 H CYS 4 -6.619 -5.686 -1.035
31 HA CYS 4 HA CYS 4 -4.539 -4.551 0.549
32 1HB CYS 4 2HB CYS 4 -6.411 -3.956 2.061
33 2HB CYS 4 1HB CYS 4 -6.879 -5.652 2.134
34 H LEU 5 H LEU 5 -3.309 -6.126 -0.480
35 HA LEU 5 HA LEU 5 -3.824 -8.933 0.414
36 1HB LEU 5 2HB LEU 5 -2.838 -9.667 -1.774
37 2HB LEU 5 1HB LEU 5 -4.364 -8.801 -1.956
38 HG LEU 5 HG LEU 5 -1.883 -7.157 -1.986
39 1HD1 LEU 5 1HD1 LEU 5 -2.712 -8.512 -4.533
40 2HD1 LEU 5 2HD1 LEU 5 -1.615 -9.348 -3.432
41 3HD1 LEU 5 3HD1 LEU 5 -1.162 -7.784 -4.110
42 1HD2 LEU 5 1HD2 LEU 5 -4.477 -6.587 -2.349
43 2HD2 LEU 5 2HD2 LEU 5 -4.074 -7.017 -4.010
44 3HD2 LEU 5 3HD2 LEU 5 -3.208 -5.710 -3.203
45 H PHE 6 H PHE 6 -2.093 -6.756 1.512
46 HA PHE 6 HA PHE 6 0.507 -8.216 1.287
47 1HB PHE 6 2HB PHE 6 -0.088 -5.470 0.589
48 2HB PHE 6 1HB PHE 6 1.074 -5.507 1.913
49 HD1 PHE 6 1HD PHE 6 0.625 -5.851 -1.616
50 HD2 PHE 6 2HD PHE 6 3.101 -7.119 1.657
51 HE1 PHE 6 1HE PHE 6 2.421 -6.463 -3.213
52 HE2 PHE 6 2HE PHE 6 4.899 -7.729 0.061
53 HZ PHE 6 HZ PHE 6 4.558 -7.401 -2.374
54 H GLY 7 H GLY 7 -0.502 -5.404 3.237
55 1HA GLY 7 2HA GLY 7 -0.959 -5.321 5.575
56 2HA GLY 7 1HA GLY 7 -0.613 -7.048 5.676
57 H ASN 8 H ASN 8 1.575 -4.819 4.082
58 HA ASN 8 HA ASN 8 3.406 -4.912 6.435
59 1HB ASN 8 2HB ASN 8 3.781 -6.601 4.341
60 2HB ASN 8 1HB ASN 8 4.668 -5.192 3.760
61 1HD2 ASN 8 1HD2 ASN 8 6.791 -6.095 4.102
62 2HD2 ASN 8 2HD2 ASN 8 7.398 -6.422 5.653
63 H GLY 9 H GLY 9 5.560 -3.578 5.174
64 1HA GLY 9 2HA GLY 9 4.293 -0.969 4.434
65 2HA GLY 9 1HA GLY 9 5.716 -1.071 5.470
66 H ARG 10 H ARG 10 5.448 -3.247 2.756
67 HA ARG 10 HA ARG 10 7.426 -1.578 1.254
68 1HB ARG 10 2HB ARG 10 7.399 -4.608 1.407
69 2HB ARG 10 1HB ARG 10 8.613 -3.598 0.618
70 1HG ARG 10 2HG ARG 10 8.653 -2.534 3.121
71 2HG ARG 10 1HG ARG 10 8.241 -4.208 3.496
72 1HD ARG 10 2HD ARG 10 10.545 -3.438 1.688
73 2HD ARG 10 1HD ARG 10 10.728 -3.717 3.419
74 HE ARG 10 HE ARG 10 9.420 -5.987 2.444
75 1HH1 ARG 10 1HH2 ARG 10 12.440 -4.334 1.823
76 2HH1 ARG 10 2HH2 ARG 10 13.258 -5.787 1.368
77 1HH2 ARG 10 1HH1 ARG 10 10.519 -7.842 1.847
78 2HH2 ARG 10 2HH1 ARG 10 12.184 -7.753 1.379
79 H CYS 11 H CYS 11 6.911 -1.271 -0.890
80 HA CYS 11 HA CYS 11 5.030 -3.132 -2.218
81 1HB CYS 11 2HB CYS 11 3.651 -1.132 -2.997
82 2HB CYS 11 1HB CYS 11 3.434 -1.602 -1.317
83 H SER 12 H SER 12 4.539 -2.118 -4.500
84 HA SER 12 HA SER 12 7.028 -0.923 -5.629
85 1HB SER 12 2HB SER 12 5.496 -3.336 -6.599
86 2HB SER 12 1HB SER 12 6.543 -2.409 -7.671
87 HG SER 12 HG SER 12 7.239 -3.732 -5.256
88 H SER 13 H SER 13 3.928 -0.293 -5.022
89 HA SER 13 HA SER 13 3.641 1.772 -6.943
90 1HB SER 13 2HB SER 13 3.223 0.215 -8.661
91 2HB SER 13 1HB SER 13 2.347 -0.873 -7.591
92 HG SER 13 HG SER 13 0.708 0.123 -8.529
93 H ASN 14 H ASN 14 1.422 2.773 -6.732
94 HA ASN 14 HA ASN 14 0.616 2.960 -4.022
95 1HB ASN 14 2HB ASN 14 -0.920 3.643 -6.537
96 2HB ASN 14 1HB ASN 14 -1.389 4.145 -4.914
97 1HD2 ASN 14 1HD2 ASN 14 -0.771 6.096 -6.896
98 2HD2 ASN 14 2HD2 ASN 14 0.675 6.875 -6.465
99 H ARG 15 H ARG 15 -0.851 1.102 -6.696
100 HA ARG 15 HA ARG 15 -3.000 0.071 -5.074
101 1HB ARG 15 2HB ARG 15 -2.084 -0.170 -7.813
102 2HB ARG 15 1HB ARG 15 -2.626 -1.724 -7.183
103 1HG ARG 15 2HG ARG 15 -4.582 -0.712 -8.081
104 2HG ARG 15 1HG ARG 15 -4.704 -0.469 -6.339
105 1HD ARG 15 2HD ARG 15 -3.859 1.803 -6.548
106 2HD ARG 15 1HD ARG 15 -3.570 1.572 -8.272
107 HE ARG 15 HE ARG 15 -6.141 2.142 -7.026
108 1HH1 ARG 15 1HH2 ARG 15 -4.544 0.653 -9.758
109 2HH1 ARG 15 2HH2 ARG 15 -5.925 0.818 -10.785
110 1HH2 ARG 15 1HH1 ARG 15 -7.906 2.336 -8.391
111 2HH2 ARG 15 2HH1 ARG 15 -7.809 1.760 -10.021
112 H ASP 16 H ASP 16 0.290 -0.707 -5.134
113 HA ASP 16 HA ASP 16 0.005 -3.542 -4.509
114 1HB ASP 16 2HB ASP 16 2.181 -1.616 -4.933
115 2HB ASP 16 1HB ASP 16 2.525 -2.772 -3.649
116 H CYS 17 H CYS 17 -0.705 -0.787 -2.742
117 HA CYS 17 HA CYS 17 0.234 -1.924 -0.164
118 1HB CYS 17 2HB CYS 17 -0.958 0.759 -0.903
119 2HB CYS 17 1HB CYS 17 -0.563 0.282 0.748
120 H CYS 18 H CYS 18 -1.623 -1.154 1.624
121 HA CYS 18 HA CYS 18 -4.004 -2.734 0.833
122 1HB CYS 18 2HB CYS 18 -2.527 -2.205 3.348
123 2HB CYS 18 1HB CYS 18 -4.255 -2.445 3.487
124 H GLU 19 H GLU 19 -5.933 -1.893 2.473
125 HA GLU 19 HA GLU 19 -6.841 0.568 1.348
126 1HB GLU 19 2HB GLU 19 -8.045 -1.468 2.656
127 2HB GLU 19 1HB GLU 19 -7.971 -0.284 3.955
128 1HG GLU 19 2HG GLU 19 -9.410 1.171 2.906
129 2HG GLU 19 1HG GLU 19 -8.875 0.699 1.292
130 H LEU 20 H LEU 20 -5.583 -0.208 4.568
131 HA LEU 20 HA LEU 20 -5.777 2.403 5.675
132 1HB LEU 20 2HB LEU 20 -4.020 1.639 7.273
133 2HB LEU 20 1HB LEU 20 -5.339 0.483 7.100
134 HG LEU 20 HG LEU 20 -3.165 0.067 5.158
135 1HD1 LEU 20 1HD1 LEU 20 -2.508 -0.740 7.973
136 2HD1 LEU 20 2HD1 LEU 20 -2.095 0.887 7.430
137 3HD1 LEU 20 3HD1 LEU 20 -1.429 -0.517 6.594
138 1HD2 LEU 20 1HD2 LEU 20 -3.943 -1.990 7.157
139 2HD2 LEU 20 2HD2 LEU 20 -3.802 -2.122 5.405
140 3HD2 LEU 20 3HD2 LEU 20 -5.240 -1.396 6.122
141 H THR 21 H THR 21 -3.604 1.160 3.297
142 HA THR 21 HA THR 21 -2.071 3.719 3.418
143 HB THR 21 HB THR 21 -0.108 2.284 2.538
144 HG1 THR 21 1HG THR 21 -0.287 0.169 2.729
145 1HG2 THR 21 1HG2 THR 21 0.727 2.135 4.690
146 2HG2 THR 21 2HG2 THR 21 -0.786 1.510 5.346
147 3HG2 THR 21 3HG2 THR 21 -0.632 3.225 4.965
148 HA PRO 22 HA PRO 22 -3.628 3.171 -0.852
149 1HB PRO 22 2HB PRO 22 -4.492 5.740 -1.160
150 2HB PRO 22 1HB PRO 22 -5.449 4.478 -0.370
151 1HG PRO 22 2HG PRO 22 -4.150 6.821 0.806
152 2HG PRO 22 1HG PRO 22 -5.403 5.772 1.485
153 1HD PRO 22 2HD PRO 22 -2.548 5.746 2.019
154 2HD PRO 22 1HD PRO 22 -3.825 4.783 2.797
155 H VAL 23 H VAL 23 -0.913 4.548 0.378
156 HA VAL 23 HA VAL 23 -0.107 5.610 -2.303
157 HB VAL 23 HB VAL 23 0.834 6.657 0.385
158 1HG1 VAL 23 1HG1 VAL 23 1.802 8.473 -1.031
159 2HG1 VAL 23 2HG1 VAL 23 1.304 7.580 -2.468
160 3HG1 VAL 23 3HG1 VAL 23 2.511 6.896 -1.379
161 1HG2 VAL 23 1HG2 VAL 23 -1.344 7.478 0.232
162 2HG2 VAL 23 2HG2 VAL 23 -1.300 7.544 -1.529
163 3HG2 VAL 23 3HG2 VAL 23 -0.424 8.744 -0.579
164 H CYS 24 H CYS 24 2.026 5.201 -2.912
165 HA CYS 24 HA CYS 24 3.597 3.361 -1.178
166 1HB CYS 24 2HB CYS 24 2.358 1.975 -2.783
167 2HB CYS 24 1HB CYS 24 2.953 2.962 -4.114
168 H LYS 25 H LYS 25 5.006 5.131 -0.767
169 HA LYS 25 HA LYS 25 6.499 6.106 -3.177
170 1HB LYS 25 2HB LYS 25 5.308 7.892 -1.953
171 2HB LYS 25 1HB LYS 25 6.224 7.497 -0.505
172 1HG LYS 25 2HG LYS 25 8.143 8.458 -1.304
173 2HG LYS 25 1HG LYS 25 7.815 7.968 -2.966
174 1HD LYS 25 2HD LYS 25 7.648 10.392 -2.814
175 2HD LYS 25 1HD LYS 25 6.039 9.724 -3.087
176 1HE LYS 25 2HE LYS 25 5.287 10.359 -1.030
177 2HE LYS 25 1HE LYS 25 6.820 9.984 -0.243
178 1HZ LYS 25 1HZ LYS 25 6.171 12.410 -0.392
179 2HZ LYS 25 2HZ LYS 25 6.513 12.302 -2.053
180 3HZ LYS 25 3HZ LYS 25 7.736 12.011 -0.909
181 H ARG 26 H ARG 26 8.699 6.097 -3.112
182 HA ARG 26 HA ARG 26 10.830 5.272 -2.549
183 1HB ARG 26 2HB ARG 26 10.201 6.793 -0.508
184 2HB ARG 26 1HB ARG 26 9.991 5.261 0.341
185 1HG ARG 26 2HG ARG 26 12.341 4.693 -0.700
186 2HG ARG 26 1HG ARG 26 12.486 6.447 -0.830
187 1HD ARG 26 2HD ARG 26 11.756 6.503 1.646
188 2HD ARG 26 1HD ARG 26 12.129 4.780 1.660
189 HE ARG 26 HE ARG 26 14.070 6.957 1.566
190 1HH1 ARG 26 1HH2 ARG 26 13.465 3.604 0.769
191 2HH1 ARG 26 2HH2 ARG 26 15.145 3.195 0.786
192 1HH2 ARG 26 1HH1 ARG 26 16.231 6.382 1.573
193 2HH2 ARG 26 2HH1 ARG 26 16.694 4.747 1.234
194 H GLY 27 H GLY 27 8.513 3.423 -2.957
195 1HA GLY 27 2HA GLY 27 8.135 1.109 -2.873
196 2HA GLY 27 1HA GLY 27 9.803 0.948 -2.315
197 H SER 28 H SER 28 7.385 2.888 -0.649
198 HA SER 28 HA SER 28 7.118 0.811 1.449
199 1HB SER 28 2HB SER 28 8.109 3.642 1.849
200 2HB SER 28 1HB SER 28 7.467 2.663 3.165
201 HG SER 28 HG SER 28 9.098 1.182 2.823
202 H CYS 29 H CYS 29 5.040 0.649 2.017
203 HA CYS 29 HA CYS 29 3.001 2.318 0.883
204 1HB CYS 29 2HB CYS 29 2.947 0.246 3.090
205 2HB CYS 29 1HB CYS 29 1.497 1.058 2.499
206 H VAL 30 H VAL 30 1.759 3.933 1.825
207 HA VAL 30 HA VAL 30 2.226 4.701 4.630
208 HB VAL 30 HB VAL 30 2.743 7.062 3.988
209 1HG1 VAL 30 1HG1 VAL 30 5.081 6.658 3.500
210 2HG1 VAL 30 2HG1 VAL 30 4.713 5.065 2.841
211 3HG1 VAL 30 3HG1 VAL 30 4.515 5.373 4.566
212 1HG2 VAL 30 1HG2 VAL 30 2.586 5.819 1.264
213 2HG2 VAL 30 2HG2 VAL 30 3.748 7.118 1.532
214 3HG2 VAL 30 3HG2 VAL 30 2.029 7.402 1.804
215 H SER 31 H SER 31 0.641 6.340 5.331
216 HA SER 31 HA SER 31 -1.910 6.023 3.865
217 1HB SER 31 2HB SER 31 -1.324 7.223 6.587
218 2HB SER 31 1HB SER 31 -2.928 6.947 5.917
219 HG SER 31 HG SER 31 -1.053 5.150 6.916
220 H SER 32 H SER 32 -0.165 7.664 2.479
221 HA SER 32 HA SER 32 -0.036 9.781 1.481
222 1HB SER 32 2HB SER 32 -2.561 10.674 2.791
223 2HB SER 32 1HB SER 32 -2.052 10.828 1.112
224 HG SER 32 HG SER 32 -3.734 9.279 1.415
Start of MODEL 10
1 1H LEU 1 1HT LEU 1 -12.257 -9.003 2.162
2 2H LEU 1 2HT LEU 1 -10.861 -9.361 1.262
3 3H LEU 1 3HT LEU 1 -12.399 -9.562 0.566
4 HA LEU 1 HA LEU 1 -12.776 -7.280 0.399
5 1HB LEU 1 2HB LEU 1 -11.303 -7.201 2.780
6 2HB LEU 1 1HB LEU 1 -10.314 -6.299 1.637
7 HG LEU 1 HG LEU 1 -11.895 -4.800 2.781
8 1HD1 LEU 1 1HD1 LEU 1 -12.554 -3.624 0.883
9 2HD1 LEU 1 2HD1 LEU 1 -13.022 -5.086 0.014
10 3HD1 LEU 1 3HD1 LEU 1 -11.316 -4.686 0.210
11 1HD2 LEU 1 1HD2 LEU 1 -14.173 -5.174 2.919
12 2HD2 LEU 1 2HD2 LEU 1 -13.608 -6.844 2.895
13 3HD2 LEU 1 3HD2 LEU 1 -14.219 -6.099 1.418
14 H LEU 2 H LEU 2 -11.977 -6.167 -1.401
15 HA LEU 2 HA LEU 2 -9.547 -7.361 -2.653
16 1HB LEU 2 2HB LEU 2 -11.923 -7.256 -3.782
17 2HB LEU 2 1HB LEU 2 -11.478 -5.581 -4.114
18 HG LEU 2 HG LEU 2 -9.256 -6.571 -5.016
19 1HD1 LEU 2 1HD1 LEU 2 -9.936 -8.872 -4.022
20 2HD1 LEU 2 2HD1 LEU 2 -9.227 -8.845 -5.637
21 3HD1 LEU 2 3HD1 LEU 2 -10.972 -9.013 -5.444
22 1HD2 LEU 2 1HD2 LEU 2 -10.177 -6.672 -7.202
23 2HD2 LEU 2 2HD2 LEU 2 -11.272 -5.612 -6.316
24 3HD2 LEU 2 3HD2 LEU 2 -11.718 -7.292 -6.613
25 H ALA 3 H ALA 3 -9.186 -5.433 -0.601
26 HA ALA 3 HA ALA 3 -7.839 -3.305 -2.169
27 1HB ALA 3 1HB ALA 3 -9.990 -2.315 -1.537
28 2HB ALA 3 2HB ALA 3 -8.691 -1.560 -0.615
29 3HB ALA 3 3HB ALA 3 -9.725 -2.769 0.146
30 H CYS 4 H CYS 4 -6.893 -5.650 -0.694
31 HA CYS 4 HA CYS 4 -4.725 -4.471 0.725
32 1HB CYS 4 2HB CYS 4 -6.461 -3.989 2.424
33 2HB CYS 4 1HB CYS 4 -6.865 -5.700 2.490
34 H LEU 5 H LEU 5 -3.521 -5.963 -0.446
35 HA LEU 5 HA LEU 5 -3.865 -8.819 0.380
36 1HB LEU 5 2HB LEU 5 -2.978 -9.427 -1.890
37 2HB LEU 5 1HB LEU 5 -4.550 -8.628 -1.945
38 HG LEU 5 HG LEU 5 -2.177 -6.842 -2.048
39 1HD1 LEU 5 1HD1 LEU 5 -1.795 -8.969 -3.548
40 2HD1 LEU 5 2HD1 LEU 5 -1.504 -7.365 -4.221
41 3HD1 LEU 5 3HD1 LEU 5 -3.004 -8.217 -4.588
42 1HD2 LEU 5 1HD2 LEU 5 -3.613 -5.656 -3.646
43 2HD2 LEU 5 2HD2 LEU 5 -4.534 -6.050 -2.194
44 3HD2 LEU 5 3HD2 LEU 5 -4.745 -7.009 -3.660
45 H PHE 6 H PHE 6 -2.148 -6.630 1.468
46 HA PHE 6 HA PHE 6 0.493 -7.950 0.991
47 1HB PHE 6 2HB PHE 6 -0.284 -5.170 0.624
48 2HB PHE 6 1HB PHE 6 1.011 -5.303 1.813
49 HD1 PHE 6 1HD PHE 6 0.026 -6.610 -1.564
50 HD2 PHE 6 2HD PHE 6 3.221 -5.474 1.072
51 HE1 PHE 6 1HE PHE 6 1.664 -6.980 -3.389
52 HE2 PHE 6 2HE PHE 6 4.859 -5.845 -0.753
53 HZ PHE 6 HZ PHE 6 4.080 -6.598 -2.983
54 H GLY 7 H GLY 7 -0.502 -5.367 3.238
55 1HA GLY 7 2HA GLY 7 -0.802 -5.488 5.596
56 2HA GLY 7 1HA GLY 7 -0.442 -7.213 5.527
57 H ASN 8 H ASN 8 1.635 -4.813 4.026
58 HA ASN 8 HA ASN 8 3.586 -5.064 6.263
59 1HB ASN 8 2HB ASN 8 3.864 -6.640 4.075
60 2HB ASN 8 1HB ASN 8 4.711 -5.199 3.515
61 1HD2 ASN 8 1HD2 ASN 8 4.940 -7.964 5.599
62 2HD2 ASN 8 2HD2 ASN 8 6.437 -7.576 6.300
63 H GLY 9 H GLY 9 5.668 -3.630 5.208
64 1HA GLY 9 2HA GLY 9 4.397 -1.006 4.539
65 2HA GLY 9 1HA GLY 9 5.834 -1.154 5.549
66 H ARG 10 H ARG 10 5.561 -3.229 2.769
67 HA ARG 10 HA ARG 10 7.459 -1.467 1.275
68 1HB ARG 10 2HB ARG 10 8.530 -3.627 0.464
69 2HB ARG 10 1HB ARG 10 8.804 -3.250 2.164
70 1HG ARG 10 2HG ARG 10 7.353 -4.917 2.908
71 2HG ARG 10 1HG ARG 10 6.440 -4.938 1.401
72 1HD ARG 10 2HD ARG 10 7.711 -6.629 0.639
73 2HD ARG 10 1HD ARG 10 9.160 -5.640 0.814
74 HE ARG 10 HE ARG 10 8.267 -7.718 2.653
75 1HH1 ARG 10 1HH2 ARG 10 10.100 -4.755 2.335
76 2HH1 ARG 10 2HH2 ARG 10 11.080 -5.096 3.716
77 1HH2 ARG 10 1HH1 ARG 10 9.560 -8.117 4.434
78 2HH2 ARG 10 2HH1 ARG 10 10.781 -6.978 4.893
79 H CYS 11 H CYS 11 6.947 -1.198 -0.877
80 HA CYS 11 HA CYS 11 5.097 -3.099 -2.188
81 1HB CYS 11 2HB CYS 11 3.672 -1.119 -2.956
82 2HB CYS 11 1HB CYS 11 3.468 -1.613 -1.282
83 H SER 12 H SER 12 4.565 -2.067 -4.471
84 HA SER 12 HA SER 12 7.038 -0.839 -5.599
85 1HB SER 12 2HB SER 12 5.484 -2.912 -7.122
86 2HB SER 12 1HB SER 12 7.149 -2.388 -7.357
87 HG SER 12 HG SER 12 6.172 -4.361 -5.804
88 H SER 13 H SER 13 3.929 -0.244 -4.988
89 HA SER 13 HA SER 13 3.624 1.826 -6.903
90 1HB SER 13 2HB SER 13 3.257 0.238 -8.620
91 2HB SER 13 1HB SER 13 2.325 -0.818 -7.564
92 HG SER 13 HG SER 13 1.589 1.526 -8.894
93 H ASN 14 H ASN 14 1.339 2.742 -6.756
94 HA ASN 14 HA ASN 14 0.516 2.953 -4.046
95 1HB ASN 14 2HB ASN 14 -0.576 3.800 -6.681
96 2HB ASN 14 1HB ASN 14 -1.715 3.754 -5.334
97 1HD2 ASN 14 1HD2 ASN 14 -1.881 6.005 -4.889
98 2HD2 ASN 14 2HD2 ASN 14 -0.558 6.967 -4.433
99 H ARG 15 H ARG 15 -0.860 1.011 -6.709
100 HA ARG 15 HA ARG 15 -2.996 -0.065 -5.100
101 1HB ARG 15 2HB ARG 15 -2.083 -0.268 -7.823
102 2HB ARG 15 1HB ARG 15 -2.449 -1.875 -7.200
103 1HG ARG 15 2HG ARG 15 -4.609 -0.622 -6.263
104 2HG ARG 15 1HG ARG 15 -4.270 0.459 -7.615
105 1HD ARG 15 2HD ARG 15 -4.461 -1.297 -9.207
106 2HD ARG 15 1HD ARG 15 -4.372 -2.540 -7.960
107 HE ARG 15 HE ARG 15 -6.652 -0.817 -7.540
108 1HH1 ARG 15 1HH2 ARG 15 -5.475 -3.481 -9.478
109 2HH1 ARG 15 2HH2 ARG 15 -7.062 -4.095 -9.778
110 1HH2 ARG 15 1HH1 ARG 15 -8.688 -1.647 -7.955
111 2HH2 ARG 15 2HH1 ARG 15 -8.863 -3.070 -8.926
112 H ASP 16 H ASP 16 0.320 -0.720 -5.073
113 HA ASP 16 HA ASP 16 0.116 -3.556 -4.408
114 1HB ASP 16 2HB ASP 16 2.235 -1.572 -4.837
115 2HB ASP 16 1HB ASP 16 2.596 -2.692 -3.525
116 H CYS 17 H CYS 17 -0.724 -0.807 -2.703
117 HA CYS 17 HA CYS 17 0.206 -1.889 -0.093
118 1HB CYS 17 2HB CYS 17 -0.970 0.786 -0.885
119 2HB CYS 17 1HB CYS 17 -0.610 0.328 0.779
120 H CYS 18 H CYS 18 -1.652 -1.136 1.667
121 HA CYS 18 HA CYS 18 -4.031 -2.699 0.858
122 1HB CYS 18 2HB CYS 18 -2.611 -2.123 3.408
123 2HB CYS 18 1HB CYS 18 -4.331 -2.431 3.489
124 H GLU 19 H GLU 19 -5.975 -1.843 2.471
125 HA GLU 19 HA GLU 19 -6.868 0.610 1.322
126 1HB GLU 19 2HB GLU 19 -8.087 -1.407 2.649
127 2HB GLU 19 1HB GLU 19 -8.007 -0.208 3.936
128 1HG GLU 19 2HG GLU 19 -9.266 1.373 2.703
129 2HG GLU 19 1HG GLU 19 -9.012 0.513 1.183
130 H LEU 20 H LEU 20 -5.668 -0.132 4.577
131 HA LEU 20 HA LEU 20 -5.816 2.500 5.632
132 1HB LEU 20 2HB LEU 20 -4.085 1.723 7.259
133 2HB LEU 20 1HB LEU 20 -5.432 0.600 7.091
134 HG LEU 20 HG LEU 20 -3.647 -0.229 5.111
135 1HD1 LEU 20 1HD1 LEU 20 -1.472 -0.208 5.948
136 2HD1 LEU 20 2HD1 LEU 20 -2.005 0.034 7.611
137 3HD1 LEU 20 3HD1 LEU 20 -2.052 1.374 6.467
138 1HD2 LEU 20 1HD2 LEU 20 -4.675 -1.943 6.275
139 2HD2 LEU 20 2HD2 LEU 20 -4.447 -1.159 7.839
140 3HD2 LEU 20 3HD2 LEU 20 -3.095 -1.978 7.058
141 H THR 21 H THR 21 -3.629 1.154 3.320
142 HA THR 21 HA THR 21 -2.030 3.675 3.413
143 HB THR 21 HB THR 21 -0.206 2.055 2.375
144 HG1 THR 21 1HG THR 21 -1.708 0.325 4.041
145 1HG2 THR 21 1HG2 THR 21 -0.540 3.265 4.795
146 2HG2 THR 21 2HG2 THR 21 0.866 2.287 4.371
147 3HG2 THR 21 3HG2 THR 21 -0.463 1.571 5.279
148 HA PRO 22 HA PRO 22 -3.681 3.243 -0.830
149 1HB PRO 22 2HB PRO 22 -4.501 5.834 -1.060
150 2HB PRO 22 1HB PRO 22 -5.461 4.578 -0.264
151 1HG PRO 22 2HG PRO 22 -4.109 6.879 0.914
152 2HG PRO 22 1HG PRO 22 -5.317 5.804 1.630
153 1HD PRO 22 2HD PRO 22 -2.416 5.770 1.967
154 2HD PRO 22 1HD PRO 22 -3.649 4.852 2.860
155 H VAL 23 H VAL 23 -0.910 4.529 0.358
156 HA VAL 23 HA VAL 23 -0.122 5.586 -2.326
157 HB VAL 23 HB VAL 23 0.800 6.706 0.335
158 1HG1 VAL 23 1HG1 VAL 23 1.758 8.492 -1.082
159 2HG1 VAL 23 2HG1 VAL 23 1.200 7.643 -2.523
160 3HG1 VAL 23 3HG1 VAL 23 2.437 6.917 -1.497
161 1HG2 VAL 23 1HG2 VAL 23 -1.322 7.580 0.258
162 2HG2 VAL 23 2HG2 VAL 23 -1.444 7.402 -1.493
163 3HG2 VAL 23 3HG2 VAL 23 -0.522 8.738 -0.804
164 H CYS 24 H CYS 24 1.985 5.145 -2.941
165 HA CYS 24 HA CYS 24 3.565 3.361 -1.150
166 1HB CYS 24 2HB CYS 24 2.376 1.970 -2.795
167 2HB CYS 24 1HB CYS 24 3.003 2.965 -4.105
168 H LYS 25 H LYS 25 4.946 5.129 -0.693
169 HA LYS 25 HA LYS 25 6.454 6.188 -3.059
170 1HB LYS 25 2HB LYS 25 5.234 7.914 -1.778
171 2HB LYS 25 1HB LYS 25 6.150 7.480 -0.342
172 1HG LYS 25 2HG LYS 25 7.298 9.349 -1.263
173 2HG LYS 25 1HG LYS 25 8.248 7.948 -1.756
174 1HD LYS 25 2HD LYS 25 8.032 9.204 -3.743
175 2HD LYS 25 1HD LYS 25 6.787 7.963 -3.895
176 1HE LYS 25 2HE LYS 25 5.666 9.967 -4.460
177 2HE LYS 25 1HE LYS 25 5.210 9.682 -2.781
178 1HZ LYS 25 1HZ LYS 25 7.244 11.111 -2.246
179 2HZ LYS 25 2HZ LYS 25 5.848 11.894 -2.812
180 3HZ LYS 25 3HZ LYS 25 7.156 11.619 -3.862
181 H ARG 26 H ARG 26 8.643 6.181 -3.000
182 HA ARG 26 HA ARG 26 10.783 5.363 -2.464
183 1HB ARG 26 2HB ARG 26 10.124 6.834 -0.383
184 2HB ARG 26 1HB ARG 26 9.977 5.275 0.429
185 1HG ARG 26 2HG ARG 26 12.283 4.703 -0.278
186 2HG ARG 26 1HG ARG 26 12.430 6.289 -1.037
187 1HD ARG 26 2HD ARG 26 11.559 6.234 1.812
188 2HD ARG 26 1HD ARG 26 13.245 5.832 1.482
189 HE ARG 26 HE ARG 26 12.398 8.245 0.100
190 1HH1 ARG 26 1HH2 ARG 26 13.551 6.957 3.140
191 2HH1 ARG 26 2HH2 ARG 26 14.217 8.470 3.644
192 1HH2 ARG 26 1HH1 ARG 26 13.274 10.183 0.791
193 2HH2 ARG 26 2HH1 ARG 26 14.064 10.279 2.331
194 H GLY 27 H GLY 27 8.481 3.497 -2.891
195 1HA GLY 27 2HA GLY 27 8.126 1.178 -2.838
196 2HA GLY 27 1HA GLY 27 9.799 1.025 -2.295
197 H SER 28 H SER 28 7.353 2.907 -0.598
198 HA SER 28 HA SER 28 7.141 0.813 1.487
199 1HB SER 28 2HB SER 28 7.538 3.642 2.367
200 2HB SER 28 1HB SER 28 7.947 2.144 3.197
201 HG SER 28 HG SER 28 9.497 3.686 1.680
202 H CYS 29 H CYS 29 5.072 0.611 2.075
203 HA CYS 29 HA CYS 29 2.996 2.236 0.940
204 1HB CYS 29 2HB CYS 29 3.021 0.121 3.101
205 2HB CYS 29 1HB CYS 29 1.539 0.944 2.612
206 H VAL 30 H VAL 30 1.720 3.819 1.883
207 HA VAL 30 HA VAL 30 2.162 4.594 4.690
208 HB VAL 30 HB VAL 30 2.633 6.964 4.054
209 1HG1 VAL 30 1HG1 VAL 30 4.406 5.099 4.487
210 2HG1 VAL 30 2HG1 VAL 30 4.940 6.626 3.783
211 3HG1 VAL 30 3HG1 VAL 30 4.708 5.214 2.753
212 1HG2 VAL 30 1HG2 VAL 30 2.472 5.730 1.327
213 2HG2 VAL 30 2HG2 VAL 30 3.616 7.046 1.587
214 3HG2 VAL 30 3HG2 VAL 30 1.897 7.302 1.880
215 H SER 31 H SER 31 0.566 6.305 5.331
216 HA SER 31 HA SER 31 -1.988 5.868 3.888
217 1HB SER 31 2HB SER 31 -1.653 5.590 6.446
218 2HB SER 31 1HB SER 31 -1.676 7.351 6.492
219 HG SER 31 HG SER 31 -3.767 6.784 6.697
220 H SER 32 H SER 32 0.080 7.705 2.827
221 HA SER 32 HA SER 32 -1.568 9.879 2.035
222 1HB SER 32 2HB SER 32 -0.811 10.301 4.614
223 2HB SER 32 1HB SER 32 0.541 11.049 3.769
224 HG SER 32 HG SER 32 -1.458 12.345 4.221
Start of MODEL 11
1 1H LEU 1 1HT LEU 1 -13.960 -8.652 3.711
2 2H LEU 1 2HT LEU 1 -12.369 -8.226 4.131
3 3H LEU 1 3HT LEU 1 -12.653 -9.274 2.825
4 HA LEU 1 HA LEU 1 -13.994 -7.323 1.848
5 1HB LEU 1 2HB LEU 1 -12.264 -6.043 3.975
6 2HB LEU 1 1HB LEU 1 -12.856 -5.147 2.575
7 HG LEU 1 HG LEU 1 -15.179 -6.211 3.320
8 1HD1 LEU 1 1HD1 LEU 1 -14.741 -7.486 5.189
9 2HD1 LEU 1 2HD1 LEU 1 -15.001 -5.932 5.981
10 3HD1 LEU 1 3HD1 LEU 1 -13.362 -6.499 5.668
11 1HD2 LEU 1 1HD2 LEU 1 -15.418 -4.148 4.869
12 2HD2 LEU 1 2HD2 LEU 1 -14.980 -3.856 3.186
13 3HD2 LEU 1 3HD2 LEU 1 -13.742 -3.804 4.442
14 H LEU 2 H LEU 2 -13.031 -6.905 -0.104
15 HA LEU 2 HA LEU 2 -10.260 -7.829 -0.482
16 1HB LEU 2 2HB LEU 2 -12.471 -8.035 -2.050
17 2HB LEU 2 1HB LEU 2 -11.728 -6.596 -2.749
18 HG LEU 2 HG LEU 2 -9.528 -8.056 -2.633
19 1HD1 LEU 2 1HD1 LEU 2 -11.784 -10.013 -2.333
20 2HD1 LEU 2 2HD1 LEU 2 -10.187 -10.029 -1.585
21 3HD1 LEU 2 3HD1 LEU 2 -10.370 -10.474 -3.281
22 1HD2 LEU 2 1HD2 LEU 2 -10.829 -7.182 -4.664
23 2HD2 LEU 2 2HD2 LEU 2 -11.613 -8.760 -4.710
24 3HD2 LEU 2 3HD2 LEU 2 -9.867 -8.636 -4.924
25 H ALA 3 H ALA 3 -9.191 -6.105 0.703
26 HA ALA 3 HA ALA 3 -8.589 -3.793 -0.992
27 1HB ALA 3 1HB ALA 3 -9.499 -3.133 1.795
28 2HB ALA 3 2HB ALA 3 -10.693 -3.295 0.508
29 3HB ALA 3 3HB ALA 3 -9.414 -2.089 0.376
30 H CYS 4 H CYS 4 -7.056 -5.996 -0.019
31 HA CYS 4 HA CYS 4 -4.750 -4.668 0.966
32 1HB CYS 4 2HB CYS 4 -6.055 -4.537 3.076
33 2HB CYS 4 1HB CYS 4 -6.247 -6.286 3.056
34 H LEU 5 H LEU 5 -3.665 -5.901 -0.542
35 HA LEU 5 HA LEU 5 -3.974 -8.839 -0.521
36 1HB LEU 5 2HB LEU 5 -2.434 -8.742 -2.487
37 2HB LEU 5 1HB LEU 5 -3.894 -7.778 -2.699
38 HG LEU 5 HG LEU 5 -1.695 -6.284 -1.434
39 1HD1 LEU 5 1HD1 LEU 5 -0.217 -7.518 -2.832
40 2HD1 LEU 5 2HD1 LEU 5 -0.537 -6.022 -3.710
41 3HD1 LEU 5 3HD1 LEU 5 -1.359 -7.511 -4.176
42 1HD2 LEU 5 1HD2 LEU 5 -3.307 -4.836 -2.181
43 2HD2 LEU 5 2HD2 LEU 5 -3.840 -5.929 -3.458
44 3HD2 LEU 5 3HD2 LEU 5 -2.401 -4.935 -3.691
45 H PHE 6 H PHE 6 -1.868 -6.485 0.873
46 HA PHE 6 HA PHE 6 0.075 -8.672 1.496
47 1HB PHE 6 2HB PHE 6 0.528 -6.102 0.234
48 2HB PHE 6 1HB PHE 6 1.422 -6.192 1.750
49 HD1 PHE 6 1HD PHE 6 0.558 -8.572 -1.032
50 HD2 PHE 6 2HD PHE 6 3.607 -6.944 1.517
51 HE1 PHE 6 1HE PHE 6 2.243 -10.036 -2.114
52 HE2 PHE 6 2HE PHE 6 5.293 -8.406 0.436
53 HZ PHE 6 HZ PHE 6 4.611 -9.952 -1.380
54 H GLY 7 H GLY 7 -0.096 -5.333 2.721
55 1HA GLY 7 2HA GLY 7 -1.074 -4.714 4.870
56 2HA GLY 7 1HA GLY 7 -0.924 -6.397 5.373
57 H ASN 8 H ASN 8 1.658 -4.725 3.689
58 HA ASN 8 HA ASN 8 3.206 -4.626 6.248
59 1HB ASN 8 2HB ASN 8 3.870 -5.870 3.625
60 2HB ASN 8 1HB ASN 8 5.173 -5.005 4.442
61 1HD2 ASN 8 1HD2 ASN 8 5.461 -5.642 6.855
62 2HD2 ASN 8 2HD2 ASN 8 5.214 -7.272 7.256
63 H GLY 9 H GLY 9 5.435 -3.316 5.475
64 1HA GLY 9 2HA GLY 9 4.359 -0.722 4.468
65 2HA GLY 9 1HA GLY 9 5.763 -0.884 5.523
66 H ARG 10 H ARG 10 5.434 -3.102 2.857
67 HA ARG 10 HA ARG 10 7.478 -1.544 1.326
68 1HB ARG 10 2HB ARG 10 7.374 -4.564 1.598
69 2HB ARG 10 1HB ARG 10 8.615 -3.619 0.775
70 1HG ARG 10 2HG ARG 10 8.683 -2.447 3.220
71 2HG ARG 10 1HG ARG 10 8.206 -4.083 3.678
72 1HD ARG 10 2HD ARG 10 10.123 -4.947 2.286
73 2HD ARG 10 1HD ARG 10 10.646 -3.276 2.073
74 HE ARG 10 HE ARG 10 10.279 -3.991 4.872
75 1HH1 ARG 10 1HH2 ARG 10 12.484 -4.060 2.159
76 2HH1 ARG 10 2HH2 ARG 10 13.884 -4.138 3.171
77 1HH2 ARG 10 1HH1 ARG 10 12.117 -4.092 6.144
78 2HH2 ARG 10 2HH1 ARG 10 13.682 -4.156 5.402
79 H CYS 11 H CYS 11 6.927 -1.241 -0.799
80 HA CYS 11 HA CYS 11 5.085 -3.140 -2.123
81 1HB CYS 11 2HB CYS 11 3.685 -1.156 -2.927
82 2HB CYS 11 1HB CYS 11 3.453 -1.637 -1.252
83 H SER 12 H SER 12 4.605 -2.160 -4.420
84 HA SER 12 HA SER 12 7.102 -0.957 -5.529
85 1HB SER 12 2HB SER 12 5.522 -3.311 -6.585
86 2HB SER 12 1HB SER 12 6.689 -2.424 -7.562
87 HG SER 12 HG SER 12 7.626 -4.234 -6.516
88 H SER 13 H SER 13 3.993 -0.316 -4.942
89 HA SER 13 HA SER 13 3.740 1.781 -6.830
90 1HB SER 13 2HB SER 13 3.362 0.249 -8.584
91 2HB SER 13 1HB SER 13 2.439 -0.843 -7.558
92 HG SER 13 HG SER 13 0.730 0.223 -8.133
93 H ASN 14 H ASN 14 1.514 2.773 -6.647
94 HA ASN 14 HA ASN 14 0.654 2.893 -3.946
95 1HB ASN 14 2HB ASN 14 -0.501 3.813 -6.555
96 2HB ASN 14 1HB ASN 14 -1.482 3.918 -5.093
97 1HD2 ASN 14 1HD2 ASN 14 -1.366 6.245 -4.911
98 2HD2 ASN 14 2HD2 ASN 14 0.084 7.054 -4.557
99 H ARG 15 H ARG 15 -0.692 1.076 -6.701
100 HA ARG 15 HA ARG 15 -2.923 0.032 -5.194
101 1HB ARG 15 2HB ARG 15 -1.921 -0.127 -7.893
102 2HB ARG 15 1HB ARG 15 -2.383 -1.731 -7.328
103 1HG ARG 15 2HG ARG 15 -4.219 0.599 -6.847
104 2HG ARG 15 1HG ARG 15 -4.196 -0.183 -8.428
105 1HD ARG 15 2HD ARG 15 -4.880 -2.266 -7.538
106 2HD ARG 15 1HD ARG 15 -4.467 -1.792 -5.890
107 HE ARG 15 HE ARG 15 -6.566 -0.733 -5.718
108 1HH1 ARG 15 1HH2 ARG 15 -5.817 -1.395 -9.070
109 2HH1 ARG 15 2HH2 ARG 15 -7.389 -0.927 -9.617
110 1HH2 ARG 15 1HH1 ARG 15 -8.585 -0.137 -6.470
111 2HH2 ARG 15 2HH1 ARG 15 -8.941 -0.223 -8.163
112 H ASP 16 H ASP 16 0.361 -0.724 -5.076
113 HA ASP 16 HA ASP 16 0.032 -3.572 -4.482
114 1HB ASP 16 2HB ASP 16 2.236 -1.684 -4.892
115 2HB ASP 16 1HB ASP 16 2.544 -2.803 -3.564
116 H CYS 17 H CYS 17 -0.712 -0.816 -2.746
117 HA CYS 17 HA CYS 17 0.173 -1.948 -0.144
118 1HB CYS 17 2HB CYS 17 -0.986 0.745 -0.903
119 2HB CYS 17 1HB CYS 17 -0.625 0.261 0.753
120 H CYS 18 H CYS 18 -1.645 -1.353 1.642
121 HA CYS 18 HA CYS 18 -4.044 -2.836 0.776
122 1HB CYS 18 2HB CYS 18 -2.787 -2.172 3.434
123 2HB CYS 18 1HB CYS 18 -4.399 -2.846 3.315
124 H GLU 19 H GLU 19 -5.977 -2.005 2.436
125 HA GLU 19 HA GLU 19 -6.871 0.473 1.336
126 1HB GLU 19 2HB GLU 19 -8.078 -1.580 2.633
127 2HB GLU 19 1HB GLU 19 -8.014 -0.391 3.931
128 1HG GLU 19 2HG GLU 19 -9.112 1.269 2.478
129 2HG GLU 19 1HG GLU 19 -9.164 0.092 1.166
130 H LEU 20 H LEU 20 -5.627 -0.356 4.549
131 HA LEU 20 HA LEU 20 -5.776 2.242 5.692
132 1HB LEU 20 2HB LEU 20 -3.985 1.412 7.248
133 2HB LEU 20 1HB LEU 20 -5.365 0.327 7.104
134 HG LEU 20 HG LEU 20 -3.663 -0.498 5.045
135 1HD1 LEU 20 1HD1 LEU 20 -2.077 0.176 7.539
136 2HD1 LEU 20 2HD1 LEU 20 -1.820 0.824 5.920
137 3HD1 LEU 20 3HD1 LEU 20 -1.501 -0.879 6.249
138 1HD2 LEU 20 1HD2 LEU 20 -3.460 -2.515 6.335
139 2HD2 LEU 20 2HD2 LEU 20 -5.048 -1.841 6.706
140 3HD2 LEU 20 3HD2 LEU 20 -3.718 -1.646 7.848
141 H THR 21 H THR 21 -3.631 0.993 3.291
142 HA THR 21 HA THR 21 -2.032 3.509 3.454
143 HB THR 21 HB THR 21 -0.215 1.929 2.351
144 HG1 THR 21 1HG THR 21 -0.447 -0.152 2.834
145 1HG2 THR 21 1HG2 THR 21 0.550 2.833 4.307
146 2HG2 THR 21 2HG2 THR 21 0.262 1.200 4.909
147 3HG2 THR 21 3HG2 THR 21 -0.938 2.464 5.179
148 HA PRO 22 HA PRO 22 -3.722 3.209 -0.781
149 1HB PRO 22 2HB PRO 22 -4.501 5.817 -0.947
150 2HB PRO 22 1HB PRO 22 -5.473 4.559 -0.172
151 1HG PRO 22 2HG PRO 22 -4.064 6.805 1.048
152 2HG PRO 22 1HG PRO 22 -5.301 5.748 1.742
153 1HD PRO 22 2HD PRO 22 -2.409 5.634 2.093
154 2HD PRO 22 1HD PRO 22 -3.667 4.705 2.939
155 H VAL 23 H VAL 23 -0.934 4.502 0.429
156 HA VAL 23 HA VAL 23 -0.153 5.554 -2.262
157 HB VAL 23 HB VAL 23 0.819 6.622 0.405
158 1HG1 VAL 23 1HG1 VAL 23 1.765 8.429 -1.040
159 2HG1 VAL 23 2HG1 VAL 23 1.250 7.521 -2.462
160 3HG1 VAL 23 3HG1 VAL 23 2.472 6.850 -1.381
161 1HG2 VAL 23 1HG2 VAL 23 -1.546 7.195 -0.021
162 2HG2 VAL 23 2HG2 VAL 23 -1.098 7.833 -1.603
163 3HG2 VAL 23 3HG2 VAL 23 -0.509 8.616 -0.137
164 H CYS 24 H CYS 24 2.045 5.228 -2.817
165 HA CYS 24 HA CYS 24 3.598 3.367 -1.098
166 1HB CYS 24 2HB CYS 24 2.359 1.967 -2.697
167 2HB CYS 24 1HB CYS 24 2.956 2.947 -4.031
168 H LYS 25 H LYS 25 4.999 5.143 -0.703
169 HA LYS 25 HA LYS 25 6.457 6.151 -3.120
170 1HB LYS 25 2HB LYS 25 5.287 7.903 -1.824
171 2HB LYS 25 1HB LYS 25 6.245 7.479 -0.411
172 1HG LYS 25 2HG LYS 25 8.310 7.980 -1.729
173 2HG LYS 25 1HG LYS 25 7.286 8.520 -3.060
174 1HD LYS 25 2HD LYS 25 6.868 9.686 -0.327
175 2HD LYS 25 1HD LYS 25 8.200 10.276 -1.322
176 1HE LYS 25 2HE LYS 25 5.481 10.027 -2.555
177 2HE LYS 25 1HE LYS 25 5.809 11.396 -1.494
178 1HZ LYS 25 1HZ LYS 25 7.464 10.626 -3.836
179 2HZ LYS 25 2HZ LYS 25 7.691 11.988 -2.847
180 3HZ LYS 25 3HZ LYS 25 6.313 11.870 -3.832
181 H ARG 26 H ARG 26 8.648 6.146 -3.115
182 HA ARG 26 HA ARG 26 10.793 5.316 -2.636
183 1HB ARG 26 2HB ARG 26 10.180 6.804 -0.545
184 2HB ARG 26 1HB ARG 26 10.087 5.247 0.279
185 1HG ARG 26 2HG ARG 26 12.350 4.737 -0.177
186 2HG ARG 26 1HG ARG 26 12.463 5.978 -1.427
187 1HD ARG 26 2HD ARG 26 12.660 7.703 0.108
188 2HD ARG 26 1HD ARG 26 11.780 6.828 1.360
189 HE ARG 26 HE ARG 26 13.829 5.943 2.086
190 1HH1 ARG 26 1HH2 ARG 26 14.129 7.062 -1.215
191 2HH1 ARG 26 2HH2 ARG 26 15.828 6.751 -1.272
192 1HH2 ARG 26 1HH1 ARG 26 16.030 5.557 1.968
193 2HH2 ARG 26 2HH1 ARG 26 16.896 5.909 0.510
194 H GLY 27 H GLY 27 8.474 3.458 -2.981
195 1HA GLY 27 2HA GLY 27 8.128 1.139 -2.921
196 2HA GLY 27 1HA GLY 27 9.803 0.988 -2.383
197 H SER 28 H SER 28 7.369 2.885 -0.683
198 HA SER 28 HA SER 28 7.151 0.793 1.404
199 1HB SER 28 2HB SER 28 7.983 3.665 1.914
200 2HB SER 28 1HB SER 28 7.592 2.488 3.165
201 HG SER 28 HG SER 28 9.761 2.357 2.921
202 H CYS 29 H CYS 29 5.067 0.595 1.961
203 HA CYS 29 HA CYS 29 3.003 2.250 0.870
204 1HB CYS 29 2HB CYS 29 3.016 0.196 3.094
205 2HB CYS 29 1HB CYS 29 1.546 1.020 2.578
206 H VAL 30 H VAL 30 1.794 3.900 1.807
207 HA VAL 30 HA VAL 30 2.325 4.704 4.590
208 HB VAL 30 HB VAL 30 2.853 7.050 3.904
209 1HG1 VAL 30 1HG1 VAL 30 5.168 6.623 3.423
210 2HG1 VAL 30 2HG1 VAL 30 4.792 5.061 2.698
211 3HG1 VAL 30 3HG1 VAL 30 4.607 5.294 4.436
212 1HG2 VAL 30 1HG2 VAL 30 3.804 7.042 1.417
213 2HG2 VAL 30 2HG2 VAL 30 2.103 7.383 1.736
214 3HG2 VAL 30 3HG2 VAL 30 2.596 5.775 1.206
215 H SER 31 H SER 31 0.790 6.379 5.301
216 HA SER 31 HA SER 31 -1.805 6.085 3.909
217 1HB SER 31 2HB SER 31 -0.996 7.075 6.646
218 2HB SER 31 1HB SER 31 -2.632 7.280 6.028
219 HG SER 31 HG SER 31 -1.685 5.184 7.214
220 H SER 32 H SER 32 -0.084 7.667 2.452
221 HA SER 32 HA SER 32 0.044 9.762 1.409
222 1HB SER 32 2HB SER 32 -2.557 9.380 1.705
223 2HB SER 32 1HB SER 32 -2.400 10.672 2.892
224 HG SER 32 HG SER 32 -1.666 10.721 0.149
Start of MODEL 12
1 1H LEU 1 1HT LEU 1 -16.104 -6.757 -3.784
2 2H LEU 1 2HT LEU 1 -15.671 -6.290 -5.359
3 3H LEU 1 3HT LEU 1 -15.499 -5.198 -4.069
4 HA LEU 1 HA LEU 1 -14.067 -7.764 -3.975
5 1HB LEU 1 2HB LEU 1 -13.336 -5.325 -5.608
6 2HB LEU 1 1HB LEU 1 -12.133 -6.494 -5.064
7 HG LEU 1 HG LEU 1 -14.565 -7.574 -6.410
8 1HD1 LEU 1 1HD1 LEU 1 -12.566 -5.765 -7.679
9 2HD1 LEU 1 2HD1 LEU 1 -14.249 -6.067 -8.116
10 3HD1 LEU 1 3HD1 LEU 1 -12.998 -7.224 -8.571
11 1HD2 LEU 1 1HD2 LEU 1 -13.175 -9.360 -6.849
12 2HD2 LEU 1 2HD2 LEU 1 -12.332 -8.712 -5.441
13 3HD2 LEU 1 3HD2 LEU 1 -11.754 -8.336 -7.064
14 H LEU 2 H LEU 2 -11.697 -6.873 -3.163
15 HA LEU 2 HA LEU 2 -12.297 -5.048 -0.873
16 1HB LEU 2 2HB LEU 2 -11.600 -7.684 -0.672
17 2HB LEU 2 1HB LEU 2 -10.012 -6.919 -0.626
18 HG LEU 2 HG LEU 2 -11.146 -5.298 1.101
19 1HD1 LEU 2 1HD1 LEU 2 -13.398 -6.537 0.554
20 2HD1 LEU 2 2HD1 LEU 2 -13.043 -6.084 2.221
21 3HD1 LEU 2 3HD1 LEU 2 -12.792 -7.745 1.686
22 1HD2 LEU 2 1HD2 LEU 2 -10.573 -8.172 1.889
23 2HD2 LEU 2 2HD2 LEU 2 -10.404 -6.740 2.905
24 3HD2 LEU 2 3HD2 LEU 2 -9.320 -6.981 1.535
25 H ALA 3 H ALA 3 -9.589 -4.800 -0.050
26 HA ALA 3 HA ALA 3 -7.951 -3.944 -2.304
27 1HB ALA 3 1HB ALA 3 -9.166 -1.960 -2.405
28 2HB ALA 3 2HB ALA 3 -7.916 -1.522 -1.241
29 3HB ALA 3 3HB ALA 3 -9.526 -1.973 -0.679
30 H CYS 4 H CYS 4 -6.897 -5.671 -0.823
31 HA CYS 4 HA CYS 4 -4.764 -4.462 0.636
32 1HB CYS 4 2HB CYS 4 -6.525 -4.047 2.321
33 2HB CYS 4 1HB CYS 4 -6.910 -5.763 2.341
34 H LEU 5 H LEU 5 -3.532 -5.921 -0.576
35 HA LEU 5 HA LEU 5 -3.826 -8.794 0.209
36 1HB LEU 5 2HB LEU 5 -2.924 -9.356 -2.059
37 2HB LEU 5 1HB LEU 5 -4.494 -8.555 -2.122
38 HG LEU 5 HG LEU 5 -2.110 -6.779 -2.171
39 1HD1 LEU 5 1HD1 LEU 5 -2.946 -8.419 -4.583
40 2HD1 LEU 5 2HD1 LEU 5 -1.458 -8.663 -3.670
41 3HD1 LEU 5 3HD1 LEU 5 -1.713 -7.159 -4.554
42 1HD2 LEU 5 1HD2 LEU 5 -4.037 -5.550 -2.472
43 2HD2 LEU 5 2HD2 LEU 5 -4.900 -6.892 -3.224
44 3HD2 LEU 5 3HD2 LEU 5 -3.727 -5.964 -4.157
45 H PHE 6 H PHE 6 -2.152 -6.573 1.333
46 HA PHE 6 HA PHE 6 0.513 -7.853 0.878
47 1HB PHE 6 2HB PHE 6 -0.312 -5.063 0.580
48 2HB PHE 6 1HB PHE 6 1.032 -5.234 1.707
49 HD1 PHE 6 1HD PHE 6 -0.072 -6.625 -1.606
50 HD2 PHE 6 2HD PHE 6 3.180 -5.199 0.811
51 HE1 PHE 6 1HE PHE 6 1.485 -6.943 -3.512
52 HE2 PHE 6 2HE PHE 6 4.735 -5.517 -1.094
53 HZ PHE 6 HZ PHE 6 3.887 -6.389 -3.255
54 H GLY 7 H GLY 7 -0.599 -5.316 3.126
55 1HA GLY 7 2HA GLY 7 -0.874 -5.422 5.479
56 2HA GLY 7 1HA GLY 7 -0.540 -7.152 5.410
57 H ASN 8 H ASN 8 1.582 -4.783 3.929
58 HA ASN 8 HA ASN 8 3.509 -5.032 6.182
59 1HB ASN 8 2HB ASN 8 3.782 -6.687 4.061
60 2HB ASN 8 1HB ASN 8 4.646 -5.279 3.443
61 1HD2 ASN 8 1HD2 ASN 8 4.469 -7.280 6.448
62 2HD2 ASN 8 2HD2 ASN 8 6.127 -7.165 6.793
63 H GLY 9 H GLY 9 5.593 -3.618 5.323
64 1HA GLY 9 2HA GLY 9 4.397 -1.010 4.486
65 2HA GLY 9 1HA GLY 9 5.820 -1.162 5.515
66 H ARG 10 H ARG 10 5.567 -3.309 2.797
67 HA ARG 10 HA ARG 10 7.537 -1.626 1.301
68 1HB ARG 10 2HB ARG 10 7.485 -4.657 1.409
69 2HB ARG 10 1HB ARG 10 8.707 -3.646 0.640
70 1HG ARG 10 2HG ARG 10 8.757 -2.623 3.157
71 2HG ARG 10 1HG ARG 10 8.322 -4.295 3.509
72 1HD ARG 10 2HD ARG 10 10.566 -4.663 3.401
73 2HD ARG 10 1HD ARG 10 10.311 -4.641 1.656
74 HE ARG 10 HE ARG 10 11.438 -2.578 1.576
75 1HH1 ARG 10 1HH2 ARG 10 10.405 -3.252 4.850
76 2HH1 ARG 10 2HH2 ARG 10 11.242 -1.886 5.502
77 1HH2 ARG 10 1HH1 ARG 10 12.505 -0.822 2.463
78 2HH2 ARG 10 2HH1 ARG 10 12.419 -0.525 4.167
79 H CYS 11 H CYS 11 6.958 -1.229 -0.803
80 HA CYS 11 HA CYS 11 5.113 -3.083 -2.188
81 1HB CYS 11 2HB CYS 11 3.673 -1.095 -2.869
82 2HB CYS 11 1HB CYS 11 3.494 -1.626 -1.204
83 H SER 12 H SER 12 4.574 -1.965 -4.423
84 HA SER 12 HA SER 12 7.015 -0.643 -5.507
85 1HB SER 12 2HB SER 12 7.263 -2.959 -6.130
86 2HB SER 12 1HB SER 12 5.578 -3.060 -6.634
87 HG SER 12 HG SER 12 6.980 -2.762 -8.411
88 H SER 13 H SER 13 3.903 -0.150 -4.896
89 HA SER 13 HA SER 13 3.522 1.929 -6.780
90 1HB SER 13 2HB SER 13 3.223 0.345 -8.523
91 2HB SER 13 1HB SER 13 2.302 -0.743 -7.488
92 HG SER 13 HG SER 13 0.800 0.313 -8.678
93 H ASN 14 H ASN 14 1.184 2.735 -6.647
94 HA ASN 14 HA ASN 14 0.340 2.884 -3.938
95 1HB ASN 14 2HB ASN 14 -1.167 3.460 -6.495
96 2HB ASN 14 1HB ASN 14 -1.756 3.886 -4.889
97 1HD2 ASN 14 1HD2 ASN 14 -1.126 5.856 -6.934
98 2HD2 ASN 14 2HD2 ASN 14 0.179 6.781 -6.367
99 H ARG 15 H ARG 15 -0.854 0.865 -6.617
100 HA ARG 15 HA ARG 15 -2.996 -0.296 -5.073
101 1HB ARG 15 2HB ARG 15 -2.119 -0.362 -7.758
102 2HB ARG 15 1HB ARG 15 -2.148 -2.034 -7.204
103 1HG ARG 15 2HG ARG 15 -4.357 -1.875 -7.790
104 2HG ARG 15 1HG ARG 15 -4.495 -1.188 -6.170
105 1HD ARG 15 2HD ARG 15 -4.786 0.952 -6.953
106 2HD ARG 15 1HD ARG 15 -3.758 0.688 -8.362
107 HE ARG 15 HE ARG 15 -5.687 0.100 -9.561
108 1HH1 ARG 15 1HH2 ARG 15 -6.273 -0.278 -6.134
109 2HH1 ARG 15 2HH2 ARG 15 -7.937 -0.686 -6.361
110 1HH2 ARG 15 1HH1 ARG 15 -7.847 -0.431 -9.809
111 2HH2 ARG 15 2HH1 ARG 15 -8.821 -0.771 -8.418
112 H ASP 16 H ASP 16 0.357 -0.837 -5.036
113 HA ASP 16 HA ASP 16 0.243 -3.654 -4.296
114 1HB ASP 16 2HB ASP 16 2.302 -1.591 -4.713
115 2HB ASP 16 1HB ASP 16 2.681 -2.722 -3.417
116 H CYS 17 H CYS 17 -0.686 -0.882 -2.651
117 HA CYS 17 HA CYS 17 0.218 -1.919 -0.013
118 1HB CYS 17 2HB CYS 17 -0.957 0.743 -0.851
119 2HB CYS 17 1HB CYS 17 -0.609 0.302 0.820
120 H CYS 18 H CYS 18 -1.669 -1.150 1.706
121 HA CYS 18 HA CYS 18 -4.055 -2.689 0.849
122 1HB CYS 18 2HB CYS 18 -2.629 -2.222 3.417
123 2HB CYS 18 1HB CYS 18 -4.353 -2.504 3.489
124 H GLU 19 H GLU 19 -5.974 -1.844 2.526
125 HA GLU 19 HA GLU 19 -6.845 0.642 1.434
126 1HB GLU 19 2HB GLU 19 -8.064 -1.393 2.744
127 2HB GLU 19 1HB GLU 19 -7.977 -0.203 4.039
128 1HG GLU 19 2HG GLU 19 -8.902 0.716 1.346
129 2HG GLU 19 1HG GLU 19 -10.022 -0.220 2.337
130 H LEU 20 H LEU 20 -5.567 -0.182 4.634
131 HA LEU 20 HA LEU 20 -5.720 2.399 5.797
132 1HB LEU 20 2HB LEU 20 -3.931 1.610 7.332
133 2HB LEU 20 1HB LEU 20 -5.218 0.421 7.140
134 HG LEU 20 HG LEU 20 -3.078 0.136 5.140
135 1HD1 LEU 20 1HD1 LEU 20 -1.358 -0.666 6.613
136 2HD1 LEU 20 2HD1 LEU 20 -2.405 -0.502 8.023
137 3HD1 LEU 20 3HD1 LEU 20 -1.816 0.937 7.190
138 1HD2 LEU 20 1HD2 LEU 20 -3.733 -2.004 7.096
139 2HD2 LEU 20 2HD2 LEU 20 -3.640 -2.078 5.336
140 3HD2 LEU 20 3HD2 LEU 20 -5.079 -1.421 6.116
141 H THR 21 H THR 21 -3.584 1.194 3.359
142 HA THR 21 HA THR 21 -2.095 3.779 3.441
143 HB THR 21 HB THR 21 -0.080 2.450 2.648
144 HG1 THR 21 1HG THR 21 -1.608 0.285 3.653
145 1HG2 THR 21 1HG2 THR 21 0.240 3.045 4.838
146 2HG2 THR 21 2HG2 THR 21 0.075 1.306 5.081
147 3HG2 THR 21 3HG2 THR 21 -1.304 2.370 5.357
148 HA PRO 22 HA PRO 22 -3.664 3.165 -0.808
149 1HB PRO 22 2HB PRO 22 -4.531 5.730 -1.147
150 2HB PRO 22 1HB PRO 22 -5.480 4.482 -0.326
151 1HG PRO 22 2HG PRO 22 -4.178 6.844 0.796
152 2HG PRO 22 1HG PRO 22 -5.407 5.795 1.514
153 1HD PRO 22 2HD PRO 22 -2.535 5.796 1.976
154 2HD PRO 22 1HD PRO 22 -3.791 4.859 2.817
155 H VAL 23 H VAL 23 -0.940 4.564 0.378
156 HA VAL 23 HA VAL 23 -0.136 5.536 -2.336
157 HB VAL 23 HB VAL 23 0.754 6.738 0.303
158 1HG1 VAL 23 1HG1 VAL 23 1.579 8.548 -1.309
159 2HG1 VAL 23 2HG1 VAL 23 1.303 7.380 -2.602
160 3HG1 VAL 23 3HG1 VAL 23 2.473 7.029 -1.330
161 1HG2 VAL 23 1HG2 VAL 23 -1.490 7.343 -1.543
162 2HG2 VAL 23 2HG2 VAL 23 -0.556 8.727 -0.974
163 3HG2 VAL 23 3HG2 VAL 23 -1.338 7.653 0.187
164 H CYS 24 H CYS 24 2.017 5.153 -2.891
165 HA CYS 24 HA CYS 24 3.569 3.385 -1.061
166 1HB CYS 24 2HB CYS 24 2.425 1.965 -2.711
167 2HB CYS 24 1HB CYS 24 3.060 2.952 -4.024
168 H LYS 25 H LYS 25 4.931 5.163 -0.594
169 HA LYS 25 HA LYS 25 6.418 6.287 -2.941
170 1HB LYS 25 2HB LYS 25 5.246 7.936 -1.515
171 2HB LYS 25 1HB LYS 25 6.230 7.430 -0.149
172 1HG LYS 25 2HG LYS 25 8.247 7.952 -1.697
173 2HG LYS 25 1HG LYS 25 7.081 8.854 -2.664
174 1HD LYS 25 2HD LYS 25 7.531 9.285 0.302
175 2HD LYS 25 1HD LYS 25 8.253 10.274 -0.967
176 1HE LYS 25 2HE LYS 25 6.129 11.068 -1.699
177 2HE LYS 25 1HE LYS 25 5.268 9.846 -0.763
178 1HZ LYS 25 1HZ LYS 25 5.280 12.088 0.261
179 2HZ LYS 25 2HZ LYS 25 6.965 11.965 0.438
180 3HZ LYS 25 3HZ LYS 25 5.939 10.884 1.256
181 H ARG 26 H ARG 26 8.591 6.213 -2.984
182 HA ARG 26 HA ARG 26 10.737 5.337 -2.580
183 1HB ARG 26 2HB ARG 26 10.226 6.818 -0.470
184 2HB ARG 26 1HB ARG 26 10.089 5.265 0.353
185 1HG ARG 26 2HG ARG 26 12.374 4.799 -0.953
186 2HG ARG 26 1HG ARG 26 12.487 6.558 -0.866
187 1HD ARG 26 2HD ARG 26 11.774 6.104 1.669
188 2HD ARG 26 1HD ARG 26 12.530 4.544 1.338
189 HE ARG 26 HE ARG 26 14.622 5.625 1.295
190 1HH1 ARG 26 1HH2 ARG 26 12.047 7.971 0.983
191 2HH1 ARG 26 2HH2 ARG 26 13.123 9.318 1.104
192 1HH2 ARG 26 1HH1 ARG 26 15.979 7.398 1.445
193 2HH2 ARG 26 2HH1 ARG 26 15.326 9.000 1.363
194 H GLY 27 H GLY 27 8.401 3.500 -2.886
195 1HA GLY 27 2HA GLY 27 8.040 1.181 -2.829
196 2HA GLY 27 1HA GLY 27 9.724 1.015 -2.326
197 H SER 28 H SER 28 7.303 2.907 -0.596
198 HA SER 28 HA SER 28 7.146 0.832 1.515
199 1HB SER 28 2HB SER 28 8.005 3.710 1.918
200 2HB SER 28 1HB SER 28 7.510 2.646 3.231
201 HG SER 28 HG SER 28 9.659 2.361 3.118
202 H CYS 29 H CYS 29 5.072 0.601 2.088
203 HA CYS 29 HA CYS 29 2.982 2.223 0.988
204 1HB CYS 29 2HB CYS 29 3.030 0.125 3.166
205 2HB CYS 29 1HB CYS 29 1.543 0.937 2.676
206 H VAL 30 H VAL 30 1.777 3.858 1.892
207 HA VAL 30 HA VAL 30 2.177 4.628 4.706
208 HB VAL 30 HB VAL 30 2.646 7.029 3.982
209 1HG1 VAL 30 1HG1 VAL 30 4.867 5.176 3.144
210 2HG1 VAL 30 2HG1 VAL 30 4.325 5.226 4.820
211 3HG1 VAL 30 3HG1 VAL 30 4.968 6.680 4.059
212 1HG2 VAL 30 1HG2 VAL 30 2.187 5.985 1.436
213 2HG2 VAL 30 2HG2 VAL 30 3.941 6.157 1.499
214 3HG2 VAL 30 3HG2 VAL 30 2.906 7.555 1.794
215 H SER 31 H SER 31 0.622 6.365 5.323
216 HA SER 31 HA SER 31 -1.913 6.023 3.830
217 1HB SER 31 2HB SER 31 -2.956 7.000 5.836
218 2HB SER 31 1HB SER 31 -1.913 5.650 6.272
219 HG SER 31 HG SER 31 -1.342 7.269 7.627
220 H SER 32 H SER 32 -0.037 7.631 2.493
221 HA SER 32 HA SER 32 -1.535 9.986 1.940
222 1HB SER 32 2HB SER 32 -0.822 10.836 4.090
223 2HB SER 32 1HB SER 32 0.847 10.368 3.777
224 HG SER 32 HG SER 32 0.547 12.569 3.347
Start of MODEL 13
1 1H LEU 1 1HT LEU 1 -13.227 -8.153 -3.354
2 2H LEU 1 2HT LEU 1 -14.491 -7.646 -2.337
3 3H LEU 1 3HT LEU 1 -13.264 -8.654 -1.734
4 HA LEU 1 HA LEU 1 -13.175 -5.783 -2.360
5 1HB LEU 1 2HB LEU 1 -12.574 -7.606 -0.065
6 2HB LEU 1 1HB LEU 1 -11.657 -6.105 -0.197
7 HG LEU 1 HG LEU 1 -14.084 -5.089 -0.630
8 1HD1 LEU 1 1HD1 LEU 1 -15.548 -6.373 1.151
9 2HD1 LEU 1 2HD1 LEU 1 -14.517 -7.736 0.716
10 3HD1 LEU 1 3HD1 LEU 1 -15.493 -6.940 -0.517
11 1HD2 LEU 1 1HD2 LEU 1 -13.155 -5.866 2.151
12 2HD2 LEU 1 2HD2 LEU 1 -14.140 -4.471 1.715
13 3HD2 LEU 1 3HD2 LEU 1 -12.451 -4.548 1.213
14 H LEU 2 H LEU 2 -11.539 -5.085 -3.632
15 HA LEU 2 HA LEU 2 -9.006 -6.682 -3.675
16 1HB LEU 2 2HB LEU 2 -10.624 -6.522 -5.801
17 2HB LEU 2 1HB LEU 2 -9.763 -4.999 -6.025
18 HG LEU 2 HG LEU 2 -7.622 -6.446 -5.613
19 1HD1 LEU 2 1HD1 LEU 2 -9.458 -8.588 -6.701
20 2HD1 LEU 2 2HD1 LEU 2 -9.107 -8.444 -4.979
21 3HD1 LEU 2 3HD1 LEU 2 -7.802 -8.765 -6.121
22 1HD2 LEU 2 1HD2 LEU 2 -9.215 -6.797 -8.173
23 2HD2 LEU 2 2HD2 LEU 2 -7.460 -6.871 -8.009
24 3HD2 LEU 2 3HD2 LEU 2 -8.306 -5.343 -7.760
25 H ALA 3 H ALA 3 -8.331 -5.195 -1.922
26 HA ALA 3 HA ALA 3 -6.906 -2.893 -2.988
27 1HB ALA 3 1HB ALA 3 -8.873 -2.224 -0.811
28 2HB ALA 3 2HB ALA 3 -9.375 -2.165 -2.502
29 3HB ALA 3 3HB ALA 3 -8.055 -1.140 -1.937
30 H CYS 4 H CYS 4 -6.392 -5.383 -1.485
31 HA CYS 4 HA CYS 4 -4.436 -4.420 0.340
32 1HB CYS 4 2HB CYS 4 -6.407 -3.838 1.730
33 2HB CYS 4 1HB CYS 4 -6.938 -5.514 1.663
34 H LEU 5 H LEU 5 -3.164 -5.971 -0.639
35 HA LEU 5 HA LEU 5 -3.840 -8.805 0.031
36 1HB LEU 5 2HB LEU 5 -2.682 -9.446 -2.100
37 2HB LEU 5 1HB LEU 5 -4.158 -8.518 -2.366
38 HG LEU 5 HG LEU 5 -1.652 -6.944 -2.070
39 1HD1 LEU 5 1HD1 LEU 5 -2.276 -8.400 -4.652
40 2HD1 LEU 5 2HD1 LEU 5 -1.051 -8.949 -3.507
41 3HD1 LEU 5 3HD1 LEU 5 -0.877 -7.384 -4.302
42 1HD2 LEU 5 1HD2 LEU 5 -4.250 -6.841 -3.559
43 2HD2 LEU 5 2HD2 LEU 5 -2.879 -5.946 -4.211
44 3HD2 LEU 5 3HD2 LEU 5 -3.470 -5.595 -2.586
45 H PHE 6 H PHE 6 -2.105 -6.673 1.333
46 HA PHE 6 HA PHE 6 0.377 -8.321 1.416
47 1HB PHE 6 2HB PHE 6 0.122 -5.663 0.347
48 2HB PHE 6 1HB PHE 6 1.110 -5.590 1.802
49 HD1 PHE 6 1HD PHE 6 1.040 -6.432 -1.681
50 HD2 PHE 6 2HD PHE 6 3.039 -7.304 2.021
51 HE1 PHE 6 1HE PHE 6 2.960 -7.371 -2.937
52 HE2 PHE 6 2HE PHE 6 4.958 -8.243 0.763
53 HZ PHE 6 HZ PHE 6 4.919 -8.276 -1.716
54 H GLY 7 H GLY 7 -0.472 -5.226 2.966
55 1HA GLY 7 2HA GLY 7 -1.126 -4.857 5.237
56 2HA GLY 7 1HA GLY 7 -0.897 -6.578 5.556
57 H ASN 8 H ASN 8 1.536 -4.680 3.886
58 HA ASN 8 HA ASN 8 3.219 -4.706 6.358
59 1HB ASN 8 2HB ASN 8 3.639 -6.436 4.305
60 2HB ASN 8 1HB ASN 8 4.603 -5.064 3.756
61 1HD2 ASN 8 1HD2 ASN 8 4.099 -7.135 6.660
62 2HD2 ASN 8 2HD2 ASN 8 5.698 -7.000 7.217
63 H GLY 9 H GLY 9 5.467 -3.452 5.262
64 1HA GLY 9 2HA GLY 9 4.339 -0.810 4.426
65 2HA GLY 9 1HA GLY 9 5.737 -0.968 5.490
66 H ARG 10 H ARG 10 5.449 -3.166 2.805
67 HA ARG 10 HA ARG 10 7.490 -1.579 1.298
68 1HB ARG 10 2HB ARG 10 7.408 -4.601 1.562
69 2HB ARG 10 1HB ARG 10 8.644 -3.647 0.739
70 1HG ARG 10 2HG ARG 10 8.708 -2.471 3.177
71 2HG ARG 10 1HG ARG 10 8.228 -4.102 3.645
72 1HD ARG 10 2HD ARG 10 10.413 -3.961 1.652
73 2HD ARG 10 1HD ARG 10 10.817 -3.342 3.252
74 HE ARG 10 HE ARG 10 10.306 -6.131 2.569
75 1HH1 ARG 10 1HH2 ARG 10 10.241 -3.734 5.117
76 2HH1 ARG 10 2HH2 ARG 10 10.392 -4.917 6.369
77 1HH2 ARG 10 1HH1 ARG 10 10.497 -7.626 4.221
78 2HH2 ARG 10 2HH1 ARG 10 10.534 -7.096 5.870
79 H CYS 11 H CYS 11 6.945 -1.264 -0.831
80 HA CYS 11 HA CYS 11 5.117 -3.172 -2.168
81 1HB CYS 11 2HB CYS 11 3.692 -1.208 -2.952
82 2HB CYS 11 1HB CYS 11 3.486 -1.677 -1.270
83 H SER 12 H SER 12 4.611 -2.161 -4.452
84 HA SER 12 HA SER 12 7.078 -0.911 -5.570
85 1HB SER 12 2HB SER 12 5.676 -3.423 -6.436
86 2HB SER 12 1HB SER 12 6.514 -2.436 -7.630
87 HG SER 12 HG SER 12 7.697 -4.188 -6.386
88 H SER 13 H SER 13 3.959 -0.355 -4.989
89 HA SER 13 HA SER 13 3.640 1.686 -6.935
90 1HB SER 13 2HB SER 13 3.266 0.087 -8.627
91 2HB SER 13 1HB SER 13 2.384 -0.987 -7.547
92 HG SER 13 HG SER 13 1.558 1.547 -8.542
93 H ASN 14 H ASN 14 1.396 2.639 -6.752
94 HA ASN 14 HA ASN 14 0.576 2.856 -4.049
95 1HB ASN 14 2HB ASN 14 -0.966 3.465 -6.580
96 2HB ASN 14 1HB ASN 14 -1.443 3.992 -4.968
97 1HD2 ASN 14 1HD2 ASN 14 -0.852 5.904 -7.000
98 2HD2 ASN 14 2HD2 ASN 14 0.578 6.719 -6.581
99 H ARG 15 H ARG 15 -0.825 0.914 -6.696
100 HA ARG 15 HA ARG 15 -2.978 -0.118 -5.081
101 1HB ARG 15 2HB ARG 15 -2.030 -0.395 -7.799
102 2HB ARG 15 1HB ARG 15 -2.499 -1.961 -7.146
103 1HG ARG 15 2HG ARG 15 -4.586 -0.516 -6.270
104 2HG ARG 15 1HG ARG 15 -4.169 0.447 -7.688
105 1HD ARG 15 2HD ARG 15 -4.524 -1.352 -9.167
106 2HD ARG 15 1HD ARG 15 -4.409 -2.551 -7.879
107 HE ARG 15 HE ARG 15 -6.635 -0.781 -7.412
108 1HH1 ARG 15 1HH2 ARG 15 -5.594 -3.486 -9.369
109 2HH1 ARG 15 2HH2 ARG 15 -7.206 -4.065 -9.605
110 1HH2 ARG 15 1HH1 ARG 15 -8.704 -1.567 -7.742
111 2HH2 ARG 15 2HH1 ARG 15 -8.949 -2.992 -8.694
112 H ASP 16 H ASP 16 0.327 -0.826 -5.057
113 HA ASP 16 HA ASP 16 0.083 -3.650 -4.360
114 1HB ASP 16 2HB ASP 16 2.226 -1.709 -4.835
115 2HB ASP 16 1HB ASP 16 2.579 -2.789 -3.487
116 H CYS 17 H CYS 17 -0.715 -0.872 -2.678
117 HA CYS 17 HA CYS 17 0.208 -1.946 -0.064
118 1HB CYS 17 2HB CYS 17 -0.956 0.736 -0.853
119 2HB CYS 17 1HB CYS 17 -0.556 0.276 0.802
120 H CYS 18 H CYS 18 -1.661 -1.124 1.686
121 HA CYS 18 HA CYS 18 -4.076 -2.638 0.855
122 1HB CYS 18 2HB CYS 18 -2.562 -2.283 3.382
123 2HB CYS 18 1HB CYS 18 -4.294 -2.498 3.513
124 H GLU 19 H GLU 19 -5.938 -1.831 2.605
125 HA GLU 19 HA GLU 19 -6.838 0.679 1.604
126 1HB GLU 19 2HB GLU 19 -8.019 -1.373 2.912
127 2HB GLU 19 1HB GLU 19 -7.865 -0.223 4.236
128 1HG GLU 19 2HG GLU 19 -8.915 1.516 2.725
129 2HG GLU 19 1HG GLU 19 -9.255 0.216 1.582
130 H LEU 20 H LEU 20 -5.488 -0.203 4.762
131 HA LEU 20 HA LEU 20 -5.563 2.361 5.959
132 1HB LEU 20 2HB LEU 20 -3.647 1.520 7.370
133 2HB LEU 20 1HB LEU 20 -5.044 0.448 7.324
134 HG LEU 20 HG LEU 20 -3.118 -0.077 5.162
135 1HD1 LEU 20 1HD1 LEU 20 -1.676 0.664 7.170
136 2HD1 LEU 20 2HD1 LEU 20 -1.319 -0.910 6.459
137 3HD1 LEU 20 3HD1 LEU 20 -2.242 -0.808 7.959
138 1HD2 LEU 20 1HD2 LEU 20 -3.394 -2.383 6.587
139 2HD2 LEU 20 2HD2 LEU 20 -4.558 -1.845 5.378
140 3HD2 LEU 20 3HD2 LEU 20 -4.852 -1.527 7.087
141 H THR 21 H THR 21 -3.508 1.153 3.453
142 HA THR 21 HA THR 21 -2.014 3.735 3.487
143 HB THR 21 HB THR 21 -0.018 2.400 2.649
144 HG1 THR 21 1HG THR 21 -0.126 0.158 3.259
145 1HG2 THR 21 1HG2 THR 21 -0.353 3.224 5.026
146 2HG2 THR 21 2HG2 THR 21 0.713 1.829 4.862
147 3HG2 THR 21 3HG2 THR 21 -0.946 1.610 5.419
148 HA PRO 22 HA PRO 22 -3.692 3.066 -0.717
149 1HB PRO 22 2HB PRO 22 -4.568 5.625 -1.073
150 2HB PRO 22 1HB PRO 22 -5.501 4.386 -0.221
151 1HG PRO 22 2HG PRO 22 -4.165 6.759 0.851
152 2HG PRO 22 1HG PRO 22 -5.406 5.739 1.589
153 1HD PRO 22 2HD PRO 22 -2.548 5.715 2.068
154 2HD PRO 22 1HD PRO 22 -3.811 4.765 2.885
155 H VAL 23 H VAL 23 -0.936 4.449 0.387
156 HA VAL 23 HA VAL 23 -0.202 5.426 -2.346
157 HB VAL 23 HB VAL 23 0.782 6.606 0.268
158 1HG1 VAL 23 1HG1 VAL 23 1.441 8.443 -1.500
159 2HG1 VAL 23 2HG1 VAL 23 1.336 7.105 -2.644
160 3HG1 VAL 23 3HG1 VAL 23 2.469 7.025 -1.296
161 1HG2 VAL 23 1HG2 VAL 23 -1.392 7.415 0.159
162 2HG2 VAL 23 2HG2 VAL 23 -1.438 7.340 -1.603
163 3HG2 VAL 23 3HG2 VAL 23 -0.538 8.625 -0.797
164 H CYS 24 H CYS 24 1.968 5.092 -2.936
165 HA CYS 24 HA CYS 24 3.567 3.301 -1.177
166 1HB CYS 24 2HB CYS 24 2.360 1.879 -2.785
167 2HB CYS 24 1HB CYS 24 2.957 2.864 -4.115
168 H LYS 25 H LYS 25 4.951 5.085 -0.776
169 HA LYS 25 HA LYS 25 6.413 6.096 -3.192
170 1HB LYS 25 2HB LYS 25 5.183 7.847 -1.948
171 2HB LYS 25 1HB LYS 25 6.133 7.477 -0.515
172 1HG LYS 25 2HG LYS 25 7.992 8.523 -1.327
173 2HG LYS 25 1HG LYS 25 7.701 7.970 -2.977
174 1HD LYS 25 2HD LYS 25 7.410 10.360 -2.975
175 2HD LYS 25 1HD LYS 25 5.803 9.642 -3.098
176 1HE LYS 25 2HE LYS 25 5.360 11.097 -1.381
177 2HE LYS 25 1HE LYS 25 6.012 9.776 -0.413
178 1HZ LYS 25 1HZ LYS 25 8.229 10.840 -0.679
179 2HZ LYS 25 2HZ LYS 25 7.121 11.757 0.224
180 3HZ LYS 25 3HZ LYS 25 7.458 12.174 -1.388
181 H ARG 26 H ARG 26 8.609 6.138 -3.143
182 HA ARG 26 HA ARG 26 10.762 5.365 -2.597
183 1HB ARG 26 2HB ARG 26 10.069 6.848 -0.529
184 2HB ARG 26 1HB ARG 26 9.970 5.294 0.298
185 1HG ARG 26 2HG ARG 26 12.272 4.782 -0.266
186 2HG ARG 26 1HG ARG 26 12.389 6.230 -1.267
187 1HD ARG 26 2HD ARG 26 12.610 7.623 0.536
188 2HD ARG 26 1HD ARG 26 11.529 6.660 1.542
189 HE ARG 26 HE ARG 26 13.990 5.241 1.044
190 1HH1 ARG 26 1HH2 ARG 26 12.597 7.835 2.934
191 2HH1 ARG 26 2HH2 ARG 26 13.746 7.653 4.213
192 1HH2 ARG 26 1HH1 ARG 26 15.455 5.042 2.723
193 2HH2 ARG 26 2HH1 ARG 26 15.347 6.090 4.098
194 H GLY 27 H GLY 27 8.468 3.462 -2.980
195 1HA GLY 27 2HA GLY 27 8.161 1.138 -2.914
196 2HA GLY 27 1HA GLY 27 9.833 1.017 -2.362
197 H SER 28 H SER 28 7.381 2.894 -0.674
198 HA SER 28 HA SER 28 7.158 0.795 1.408
199 1HB SER 28 2HB SER 28 8.036 3.659 1.877
200 2HB SER 28 1HB SER 28 7.531 2.562 3.159
201 HG SER 28 HG SER 28 9.861 2.647 1.688
202 H CYS 29 H CYS 29 5.086 0.596 1.978
203 HA CYS 29 HA CYS 29 3.006 2.219 0.869
204 1HB CYS 29 2HB CYS 29 3.049 0.161 3.085
205 2HB CYS 29 1HB CYS 29 1.565 0.965 2.571
206 H VAL 30 H VAL 30 1.744 3.828 1.812
207 HA VAL 30 HA VAL 30 2.268 4.654 4.590
208 HB VAL 30 HB VAL 30 2.736 7.007 3.899
209 1HG1 VAL 30 1HG1 VAL 30 5.058 6.633 3.355
210 2HG1 VAL 30 2HG1 VAL 30 4.698 5.041 2.690
211 3HG1 VAL 30 3HG1 VAL 30 4.546 5.327 4.423
212 1HG2 VAL 30 1HG2 VAL 30 1.970 7.342 1.742
213 2HG2 VAL 30 2HG2 VAL 30 2.453 5.732 1.207
214 3HG2 VAL 30 3HG2 VAL 30 3.664 7.001 1.391
215 H SER 31 H SER 31 0.679 6.261 5.318
216 HA SER 31 HA SER 31 -1.904 5.908 3.915
217 1HB SER 31 2HB SER 31 -2.622 7.226 6.114
218 2HB SER 31 1HB SER 31 -2.282 5.498 6.159
219 HG SER 31 HG SER 31 -0.500 7.627 6.773
220 H SER 32 H SER 32 -0.218 7.564 2.488
221 HA SER 32 HA SER 32 -0.145 9.677 1.477
222 1HB SER 32 2HB SER 32 -2.608 10.579 2.889
223 2HB SER 32 1HB SER 32 -2.174 10.717 1.188
224 HG SER 32 HG SER 32 -3.068 8.842 0.821
Start of MODEL 14
1 1H LEU 1 1HT LEU 1 -15.016 -9.459 3.634
2 2H LEU 1 2HT LEU 1 -13.792 -10.528 3.138
3 3H LEU 1 3HT LEU 1 -14.396 -9.364 2.058
4 HA LEU 1 HA LEU 1 -13.573 -7.614 3.623
5 1HB LEU 1 2HB LEU 1 -13.257 -9.757 5.318
6 2HB LEU 1 1HB LEU 1 -11.613 -9.532 4.725
7 HG LEU 1 HG LEU 1 -11.984 -8.198 6.756
8 1HD1 LEU 1 1HD1 LEU 1 -11.367 -5.964 5.835
9 2HD1 LEU 1 2HD1 LEU 1 -11.794 -6.540 4.224
10 3HD1 LEU 1 3HD1 LEU 1 -10.450 -7.279 5.096
11 1HD2 LEU 1 1HD2 LEU 1 -14.532 -7.925 6.003
12 2HD2 LEU 1 2HD2 LEU 1 -13.916 -6.418 5.327
13 3HD2 LEU 1 3HD2 LEU 1 -13.754 -6.741 7.053
14 H LEU 2 H LEU 2 -12.776 -6.912 1.628
15 HA LEU 2 HA LEU 2 -10.139 -8.070 0.833
16 1HB LEU 2 2HB LEU 2 -12.519 -7.424 -0.907
17 2HB LEU 2 1HB LEU 2 -10.884 -7.443 -1.569
18 HG LEU 2 HG LEU 2 -12.053 -9.756 -0.004
19 1HD1 LEU 2 1HD1 LEU 2 -12.211 -9.046 -2.917
20 2HD1 LEU 2 2HD1 LEU 2 -13.437 -9.775 -1.880
21 3HD1 LEU 2 3HD1 LEU 2 -12.077 -10.741 -2.451
22 1HD2 LEU 2 1HD2 LEU 2 -9.771 -10.118 -0.017
23 2HD2 LEU 2 2HD2 LEU 2 -9.526 -9.182 -1.492
24 3HD2 LEU 2 3HD2 LEU 2 -10.172 -10.820 -1.585
25 H ALA 3 H ALA 3 -8.807 -6.423 1.487
26 HA ALA 3 HA ALA 3 -8.822 -3.924 0.045
27 1HB ALA 3 1HB ALA 3 -10.655 -3.795 1.980
28 2HB ALA 3 2HB ALA 3 -9.622 -2.414 1.606
29 3HB ALA 3 3HB ALA 3 -9.235 -3.460 2.971
30 H CYS 4 H CYS 4 -6.993 -6.093 0.718
31 HA CYS 4 HA CYS 4 -4.650 -4.586 1.317
32 1HB CYS 4 2HB CYS 4 -5.611 -4.568 3.609
33 2HB CYS 4 1HB CYS 4 -5.659 -6.328 3.592
34 H LEU 5 H LEU 5 -3.816 -5.744 -0.425
35 HA LEU 5 HA LEU 5 -3.983 -8.620 -0.648
36 1HB LEU 5 2HB LEU 5 -2.308 -8.328 -2.464
37 2HB LEU 5 1HB LEU 5 -3.674 -7.228 -2.632
38 HG LEU 5 HG LEU 5 -1.928 -5.777 -1.050
39 1HD1 LEU 5 1HD1 LEU 5 -0.332 -7.790 -1.883
40 2HD1 LEU 5 2HD1 LEU 5 0.259 -6.151 -1.614
41 3HD1 LEU 5 3HD1 LEU 5 -0.144 -6.687 -3.245
42 1HD2 LEU 5 1HD2 LEU 5 -3.209 -4.914 -2.959
43 2HD2 LEU 5 2HD2 LEU 5 -2.176 -5.807 -4.075
44 3HD2 LEU 5 3HD2 LEU 5 -1.508 -4.477 -3.128
45 H PHE 6 H PHE 6 -1.727 -6.426 0.899
46 HA PHE 6 HA PHE 6 -0.097 -8.805 1.696
47 1HB PHE 6 2HB PHE 6 0.723 -6.381 0.361
48 2HB PHE 6 1HB PHE 6 1.498 -6.458 1.942
49 HD1 PHE 6 1HD PHE 6 0.533 -9.052 -0.602
50 HD2 PHE 6 2HD PHE 6 3.659 -7.303 1.767
51 HE1 PHE 6 1HE PHE 6 2.132 -10.738 -1.467
52 HE2 PHE 6 2HE PHE 6 5.258 -8.990 0.905
53 HZ PHE 6 HZ PHE 6 4.494 -10.708 -0.713
54 H GLY 7 H GLY 7 0.033 -5.422 2.809
55 1HA GLY 7 2HA GLY 7 -1.048 -4.688 4.903
56 2HA GLY 7 1HA GLY 7 -0.915 -6.347 5.480
57 H ASN 8 H ASN 8 1.685 -4.742 3.756
58 HA ASN 8 HA ASN 8 3.226 -4.597 6.318
59 1HB ASN 8 2HB ASN 8 4.336 -5.300 3.583
60 2HB ASN 8 1HB ASN 8 5.217 -5.302 5.112
61 1HD2 ASN 8 1HD2 ASN 8 3.776 -6.699 6.877
62 2HD2 ASN 8 2HD2 ASN 8 3.349 -8.238 6.305
63 H GLY 9 H GLY 9 5.498 -3.337 5.322
64 1HA GLY 9 2HA GLY 9 4.377 -0.726 4.385
65 2HA GLY 9 1HA GLY 9 5.768 -0.865 5.459
66 H ARG 10 H ARG 10 5.418 -3.062 2.761
67 HA ARG 10 HA ARG 10 7.499 -1.528 1.261
68 1HB ARG 10 2HB ARG 10 8.531 -3.726 0.651
69 2HB ARG 10 1HB ARG 10 8.624 -3.383 2.378
70 1HG ARG 10 2HG ARG 10 6.478 -4.728 2.639
71 2HG ARG 10 1HG ARG 10 6.701 -5.245 0.967
72 1HD ARG 10 2HD ARG 10 8.605 -6.482 1.461
73 2HD ARG 10 1HD ARG 10 8.994 -5.508 2.879
74 HE ARG 10 HE ARG 10 6.512 -7.011 3.173
75 1HH1 ARG 10 1HH2 ARG 10 9.993 -7.113 3.501
76 2HH1 ARG 10 2HH2 ARG 10 9.944 -8.379 4.678
77 1HH2 ARG 10 1HH1 ARG 10 6.497 -8.649 4.696
78 2HH2 ARG 10 2HH1 ARG 10 7.989 -9.241 5.348
79 H CYS 11 H CYS 11 6.949 -1.223 -0.857
80 HA CYS 11 HA CYS 11 5.151 -3.149 -2.206
81 1HB CYS 11 2HB CYS 11 3.723 -1.182 -3.006
82 2HB CYS 11 1HB CYS 11 3.490 -1.677 -1.336
83 H SER 12 H SER 12 4.656 -2.120 -4.501
84 HA SER 12 HA SER 12 7.140 -0.867 -5.578
85 1HB SER 12 2HB SER 12 7.139 -2.375 -7.459
86 2HB SER 12 1HB SER 12 7.059 -3.360 -6.002
87 HG SER 12 HG SER 12 5.522 -3.894 -7.711
88 H SER 13 H SER 13 4.018 -0.300 -5.029
89 HA SER 13 HA SER 13 3.734 1.760 -6.961
90 1HB SER 13 2HB SER 13 3.382 0.177 -8.675
91 2HB SER 13 1HB SER 13 2.475 -0.901 -7.620
92 HG SER 13 HG SER 13 1.693 1.498 -8.866
93 H ASN 14 H ASN 14 1.487 2.714 -6.814
94 HA ASN 14 HA ASN 14 0.620 2.898 -4.118
95 1HB ASN 14 2HB ASN 14 -0.861 3.571 -6.667
96 2HB ASN 14 1HB ASN 14 -1.364 4.076 -5.056
97 1HD2 ASN 14 1HD2 ASN 14 -0.678 5.991 -7.086
98 2HD2 ASN 14 2HD2 ASN 14 0.742 6.789 -6.607
99 H ARG 15 H ARG 15 -0.702 0.989 -6.823
100 HA ARG 15 HA ARG 15 -2.919 -0.042 -5.293
101 1HB ARG 15 2HB ARG 15 -1.893 -0.285 -7.980
102 2HB ARG 15 1HB ARG 15 -2.353 -1.868 -7.361
103 1HG ARG 15 2HG ARG 15 -4.566 -0.907 -6.688
104 2HG ARG 15 1HG ARG 15 -4.099 0.609 -7.459
105 1HD ARG 15 2HD ARG 15 -3.566 -1.136 -9.473
106 2HD ARG 15 1HD ARG 15 -4.912 -1.962 -8.689
107 HE ARG 15 HE ARG 15 -6.334 -0.272 -9.495
108 1HH1 ARG 15 1HH2 ARG 15 -3.020 0.845 -9.535
109 2HH1 ARG 15 2HH2 ARG 15 -3.424 2.323 -10.336
110 1HH2 ARG 15 1HH1 ARG 15 -6.810 1.652 -10.531
111 2HH2 ARG 15 2HH1 ARG 15 -5.545 2.777 -10.895
112 H ASP 16 H ASP 16 0.377 -0.752 -5.139
113 HA ASP 16 HA ASP 16 0.093 -3.584 -4.466
114 1HB ASP 16 2HB ASP 16 2.264 -1.659 -4.878
115 2HB ASP 16 1HB ASP 16 2.572 -2.752 -3.531
116 H CYS 17 H CYS 17 -0.734 -0.804 -2.807
117 HA CYS 17 HA CYS 17 0.111 -1.887 -0.168
118 1HB CYS 17 2HB CYS 17 -0.972 0.816 -0.994
119 2HB CYS 17 1HB CYS 17 -0.633 0.356 0.674
120 H CYS 18 H CYS 18 -1.655 -1.378 1.602
121 HA CYS 18 HA CYS 18 -4.100 -2.760 0.742
122 1HB CYS 18 2HB CYS 18 -3.079 -1.922 3.469
123 2HB CYS 18 1HB CYS 18 -4.482 -2.928 3.168
124 H GLU 19 H GLU 19 -6.038 -1.844 2.340
125 HA GLU 19 HA GLU 19 -6.855 0.631 1.169
126 1HB GLU 19 2HB GLU 19 -8.132 -1.376 2.479
127 2HB GLU 19 1HB GLU 19 -8.085 -0.155 3.746
128 1HG GLU 19 2HG GLU 19 -8.901 0.713 1.005
129 2HG GLU 19 1HG GLU 19 -10.063 -0.210 1.959
130 H LEU 20 H LEU 20 -5.670 -0.173 4.407
131 HA LEU 20 HA LEU 20 -5.820 2.426 5.537
132 1HB LEU 20 2HB LEU 20 -4.026 1.609 7.100
133 2HB LEU 20 1HB LEU 20 -5.408 0.521 6.965
134 HG LEU 20 HG LEU 20 -3.306 -0.005 4.968
135 1HD1 LEU 20 1HD1 LEU 20 -1.824 0.654 6.784
136 2HD1 LEU 20 2HD1 LEU 20 -1.796 -1.103 6.635
137 3HD1 LEU 20 3HD1 LEU 20 -2.726 -0.342 7.926
138 1HD2 LEU 20 1HD2 LEU 20 -5.437 -1.355 5.994
139 2HD2 LEU 20 2HD2 LEU 20 -4.138 -2.032 6.974
140 3HD2 LEU 20 3HD2 LEU 20 -4.069 -2.150 5.215
141 H THR 21 H THR 21 -3.652 1.161 3.162
142 HA THR 21 HA THR 21 -2.068 3.687 3.309
143 HB THR 21 HB THR 21 -0.155 2.229 2.377
144 HG1 THR 21 1HG THR 21 -0.365 0.026 3.000
145 1HG2 THR 21 1HG2 THR 21 0.254 2.959 4.535
146 2HG2 THR 21 2HG2 THR 21 0.168 1.219 4.808
147 3HG2 THR 21 3HG2 THR 21 -1.225 2.238 5.171
148 HA PRO 22 HA PRO 22 -3.709 3.290 -0.938
149 1HB PRO 22 2HB PRO 22 -4.475 5.896 -1.179
150 2HB PRO 22 1HB PRO 22 -5.466 4.659 -0.393
151 1HG PRO 22 2HG PRO 22 -4.054 6.925 0.798
152 2HG PRO 22 1HG PRO 22 -5.328 5.909 1.486
153 1HD PRO 22 2HD PRO 22 -2.462 5.767 1.942
154 2HD PRO 22 1HD PRO 22 -3.756 4.845 2.742
155 H VAL 23 H VAL 23 -0.917 4.541 0.262
156 HA VAL 23 HA VAL 23 -0.100 5.544 -2.436
157 HB VAL 23 HB VAL 23 0.825 6.697 0.212
158 1HG1 VAL 23 1HG1 VAL 23 2.515 6.869 -1.538
159 2HG1 VAL 23 2HG1 VAL 23 1.794 8.458 -1.281
160 3HG1 VAL 23 3HG1 VAL 23 1.317 7.489 -2.675
161 1HG2 VAL 23 1HG2 VAL 23 -1.083 7.794 -1.867
162 2HG2 VAL 23 2HG2 VAL 23 -0.476 8.688 -0.473
163 3HG2 VAL 23 3HG2 VAL 23 -1.512 7.280 -0.236
164 H CYS 24 H CYS 24 2.052 5.144 -2.992
165 HA CYS 24 HA CYS 24 3.590 3.337 -1.195
166 1HB CYS 24 2HB CYS 24 2.403 1.931 -2.830
167 2HB CYS 24 1HB CYS 24 3.036 2.912 -4.147
168 H LYS 25 H LYS 25 4.998 5.080 -0.750
169 HA LYS 25 HA LYS 25 6.509 6.122 -3.123
170 1HB LYS 25 2HB LYS 25 5.293 7.865 -1.862
171 2HB LYS 25 1HB LYS 25 6.196 7.438 -0.415
172 1HG LYS 25 2HG LYS 25 8.159 8.359 -1.210
173 2HG LYS 25 1HG LYS 25 7.742 8.052 -2.896
174 1HD LYS 25 2HD LYS 25 7.610 10.437 -2.543
175 2HD LYS 25 1HD LYS 25 5.960 9.830 -2.691
176 1HE LYS 25 2HE LYS 25 5.879 11.246 -0.798
177 2HE LYS 25 1HE LYS 25 6.010 9.625 -0.113
178 1HZ LYS 25 1HZ LYS 25 7.551 11.180 0.927
179 2HZ LYS 25 2HZ LYS 25 8.282 11.482 -0.576
180 3HZ LYS 25 3HZ LYS 25 8.380 9.938 0.124
181 H ARG 26 H ARG 26 8.713 6.158 -3.033
182 HA ARG 26 HA ARG 26 10.851 5.349 -2.477
183 1HB ARG 26 2HB ARG 26 10.164 6.787 -0.391
184 2HB ARG 26 1HB ARG 26 9.992 5.221 0.402
185 1HG ARG 26 2HG ARG 26 12.372 4.790 -0.702
186 2HG ARG 26 1HG ARG 26 12.454 6.551 -0.653
187 1HD ARG 26 2HD ARG 26 11.662 6.284 1.817
188 2HD ARG 26 1HD ARG 26 12.200 4.614 1.637
189 HE ARG 26 HE ARG 26 14.417 5.386 1.722
190 1HH1 ARG 26 1HH2 ARG 26 12.271 8.025 0.908
191 2HH1 ARG 26 2HH2 ARG 26 13.532 9.205 0.980
192 1HH2 ARG 26 1HH1 ARG 26 16.018 6.947 1.802
193 2HH2 ARG 26 2HH1 ARG 26 15.631 8.604 1.481
194 H GLY 27 H GLY 27 8.565 3.473 -2.961
195 1HA GLY 27 2HA GLY 27 8.229 1.152 -2.950
196 2HA GLY 27 1HA GLY 27 9.895 1.002 -2.385
197 H SER 28 H SER 28 7.411 2.842 -0.691
198 HA SER 28 HA SER 28 7.171 0.704 1.344
199 1HB SER 28 2HB SER 28 8.030 3.558 1.895
200 2HB SER 28 1HB SER 28 7.527 2.420 3.141
201 HG SER 28 HG SER 28 9.274 1.167 2.700
202 H CYS 29 H CYS 29 5.099 0.517 1.952
203 HA CYS 29 HA CYS 29 3.034 2.155 0.814
204 1HB CYS 29 2HB CYS 29 3.052 0.052 2.986
205 2HB CYS 29 1HB CYS 29 1.577 0.905 2.537
206 H VAL 30 H VAL 30 1.749 3.742 1.773
207 HA VAL 30 HA VAL 30 2.263 4.549 4.557
208 HB VAL 30 HB VAL 30 2.717 6.914 3.883
209 1HG1 VAL 30 1HG1 VAL 30 4.506 5.119 4.356
210 2HG1 VAL 30 2HG1 VAL 30 5.031 6.569 3.500
211 3HG1 VAL 30 3HG1 VAL 30 4.744 5.074 2.609
212 1HG2 VAL 30 1HG2 VAL 30 3.683 6.873 1.368
213 2HG2 VAL 30 2HG2 VAL 30 2.009 7.292 1.726
214 3HG2 VAL 30 3HG2 VAL 30 2.415 5.662 1.193
215 H SER 31 H SER 31 0.616 5.987 5.355
216 HA SER 31 HA SER 31 -1.917 5.769 3.827
217 1HB SER 31 2HB SER 31 -1.660 6.842 6.629
218 2HB SER 31 1HB SER 31 -3.037 6.040 5.879
219 HG SER 31 HG SER 31 -2.227 4.334 6.812
220 H SER 32 H SER 32 -0.039 7.661 2.844
221 HA SER 32 HA SER 32 0.064 9.898 2.157
222 1HB SER 32 2HB SER 32 -2.627 10.490 3.296
223 2HB SER 32 1HB SER 32 -1.958 10.905 1.721
224 HG SER 32 HG SER 32 -2.704 9.094 0.951
Start of MODEL 15
1 1H LEU 1 1HT LEU 1 -15.594 -5.076 5.649
2 2H LEU 1 2HT LEU 1 -14.304 -6.170 5.800
3 3H LEU 1 3HT LEU 1 -15.454 -6.373 4.567
4 HA LEU 1 HA LEU 1 -14.747 -4.179 3.648
5 1HB LEU 1 2HB LEU 1 -12.481 -4.637 5.615
6 2HB LEU 1 1HB LEU 1 -12.540 -3.366 4.393
7 HG LEU 1 HG LEU 1 -14.915 -2.927 5.612
8 1HD1 LEU 1 1HD1 LEU 1 -14.415 -4.785 7.240
9 2HD1 LEU 1 2HD1 LEU 1 -14.708 -3.224 8.005
10 3HD1 LEU 1 3HD1 LEU 1 -13.059 -3.826 7.834
11 1HD2 LEU 1 1HD2 LEU 1 -13.901 -1.014 6.544
12 2HD2 LEU 1 2HD2 LEU 1 -12.812 -1.436 5.222
13 3HD2 LEU 1 3HD2 LEU 1 -12.393 -1.866 6.880
14 H LEU 2 H LEU 2 -12.801 -4.184 2.120
15 HA LEU 2 HA LEU 2 -11.366 -6.713 1.809
16 1HB LEU 2 2HB LEU 2 -12.315 -7.114 -0.504
17 2HB LEU 2 1HB LEU 2 -13.440 -7.431 0.815
18 HG LEU 2 HG LEU 2 -13.418 -4.661 -0.279
19 1HD1 LEU 2 1HD1 LEU 2 -13.419 -5.671 -2.394
20 2HD1 LEU 2 2HD1 LEU 2 -15.140 -5.583 -2.022
21 3HD1 LEU 2 3HD1 LEU 2 -14.270 -7.103 -1.817
22 1HD2 LEU 2 1HD2 LEU 2 -15.021 -4.993 1.394
23 2HD2 LEU 2 2HD2 LEU 2 -15.374 -6.638 0.867
24 3HD2 LEU 2 3HD2 LEU 2 -15.969 -5.266 -0.068
25 H ALA 3 H ALA 3 -9.717 -4.966 2.037
26 HA ALA 3 HA ALA 3 -8.802 -4.091 -0.601
27 1HB ALA 3 1HB ALA 3 -9.928 -2.173 1.410
28 2HB ALA 3 2HB ALA 3 -10.056 -2.148 -0.349
29 3HB ALA 3 3HB ALA 3 -8.550 -1.666 0.433
30 H CYS 4 H CYS 4 -7.239 -5.718 0.390
31 HA CYS 4 HA CYS 4 -4.872 -4.414 1.261
32 1HB CYS 4 2HB CYS 4 -6.113 -4.191 3.405
33 2HB CYS 4 1HB CYS 4 -6.334 -5.937 3.445
34 H LEU 5 H LEU 5 -3.868 -5.715 -0.250
35 HA LEU 5 HA LEU 5 -3.956 -8.664 0.257
36 1HB LEU 5 2HB LEU 5 -3.316 -8.897 -2.157
37 2HB LEU 5 1HB LEU 5 -4.894 -8.143 -1.923
38 HG LEU 5 HG LEU 5 -2.538 -6.325 -2.024
39 1HD1 LEU 5 1HD1 LEU 5 -3.683 -7.739 -4.451
40 2HD1 LEU 5 2HD1 LEU 5 -2.023 -7.838 -3.866
41 3HD1 LEU 5 3HD1 LEU 5 -2.636 -6.321 -4.522
42 1HD2 LEU 5 1HD2 LEU 5 -5.158 -5.878 -1.819
43 2HD2 LEU 5 2HD2 LEU 5 -5.078 -6.006 -3.575
44 3HD2 LEU 5 3HD2 LEU 5 -4.119 -4.787 -2.735
45 H PHE 6 H PHE 6 -2.151 -6.592 1.463
46 HA PHE 6 HA PHE 6 0.431 -7.763 0.515
47 1HB PHE 6 2HB PHE 6 -0.392 -4.985 0.644
48 2HB PHE 6 1HB PHE 6 0.986 -5.253 1.708
49 HD1 PHE 6 1HD PHE 6 -0.197 -6.187 -1.733
50 HD2 PHE 6 2HD PHE 6 3.126 -5.150 0.786
51 HE1 PHE 6 1HE PHE 6 1.313 -6.244 -3.699
52 HE2 PHE 6 2HE PHE 6 4.634 -5.206 -1.180
53 HZ PHE 6 HZ PHE 6 3.728 -5.753 -3.424
54 H GLY 7 H GLY 7 -0.387 -5.612 3.242
55 1HA GLY 7 2HA GLY 7 -0.456 -6.143 5.564
56 2HA GLY 7 1HA GLY 7 -0.011 -7.803 5.172
57 H ASN 8 H ASN 8 1.771 -5.054 3.916
58 HA ASN 8 HA ASN 8 3.900 -5.378 5.947
59 1HB ASN 8 2HB ASN 8 4.163 -6.101 3.034
60 2HB ASN 8 1HB ASN 8 5.562 -5.522 3.938
61 1HD2 ASN 8 1HD2 ASN 8 4.434 -8.351 2.923
62 2HD2 ASN 8 2HD2 ASN 8 4.766 -9.348 4.257
63 H GLY 9 H GLY 9 5.722 -3.725 5.423
64 1HA GLY 9 2HA GLY 9 4.391 -1.199 4.584
65 2HA GLY 9 1HA GLY 9 5.837 -1.300 5.590
66 H ARG 10 H ARG 10 5.706 -3.354 2.798
67 HA ARG 10 HA ARG 10 7.509 -1.466 1.337
68 1HB ARG 10 2HB ARG 10 8.660 -3.543 0.459
69 2HB ARG 10 1HB ARG 10 8.894 -3.253 2.183
70 1HG ARG 10 2HG ARG 10 7.320 -4.933 2.787
71 2HG ARG 10 1HG ARG 10 6.678 -5.030 1.148
72 1HD ARG 10 2HD ARG 10 8.367 -6.383 0.424
73 2HD ARG 10 1HD ARG 10 9.582 -5.561 1.402
74 HE ARG 10 HE ARG 10 8.030 -7.898 2.198
75 1HH1 ARG 10 1HH2 ARG 10 9.766 -5.078 3.327
76 2HH1 ARG 10 2HH2 ARG 10 10.075 -5.767 4.883
77 1HH2 ARG 10 1HH1 ARG 10 8.451 -8.748 4.224
78 2HH2 ARG 10 2HH1 ARG 10 9.338 -7.821 5.388
79 H CYS 11 H CYS 11 7.003 -1.162 -0.817
80 HA CYS 11 HA CYS 11 5.185 -3.066 -2.169
81 1HB CYS 11 2HB CYS 11 3.717 -1.104 -2.886
82 2HB CYS 11 1HB CYS 11 3.536 -1.626 -1.218
83 H SER 12 H SER 12 4.628 -1.977 -4.427
84 HA SER 12 HA SER 12 7.058 -0.647 -5.524
85 1HB SER 12 2HB SER 12 5.867 -3.263 -6.301
86 2HB SER 12 1HB SER 12 6.411 -2.215 -7.609
87 HG SER 12 HG SER 12 7.899 -3.192 -5.397
88 H SER 13 H SER 13 3.953 -0.164 -4.930
89 HA SER 13 HA SER 13 3.551 1.848 -6.883
90 1HB SER 13 2HB SER 13 3.243 0.214 -8.569
91 2HB SER 13 1HB SER 13 2.353 -0.856 -7.491
92 HG SER 13 HG SER 13 1.531 1.626 -8.595
93 H ASN 14 H ASN 14 1.243 2.683 -6.742
94 HA ASN 14 HA ASN 14 0.407 2.871 -4.027
95 1HB ASN 14 2HB ASN 14 -0.694 3.709 -6.663
96 2HB ASN 14 1HB ASN 14 -1.820 3.656 -5.307
97 1HD2 ASN 14 1HD2 ASN 14 -1.996 5.933 -4.940
98 2HD2 ASN 14 2HD2 ASN 14 -0.679 6.895 -4.465
99 H ARG 15 H ARG 15 -0.789 0.849 -6.700
100 HA ARG 15 HA ARG 15 -2.992 -0.241 -5.190
101 1HB ARG 15 2HB ARG 15 -1.955 -0.450 -7.851
102 2HB ARG 15 1HB ARG 15 -2.224 -2.074 -7.224
103 1HG ARG 15 2HG ARG 15 -4.375 -0.097 -6.685
104 2HG ARG 15 1HG ARG 15 -4.183 -0.595 -8.366
105 1HD ARG 15 2HD ARG 15 -4.406 -2.936 -7.755
106 2HD ARG 15 1HD ARG 15 -4.436 -2.522 -6.041
107 HE ARG 15 HE ARG 15 -6.673 -2.304 -7.898
108 1HH1 ARG 15 1HH2 ARG 15 -5.259 -1.075 -4.944
109 2HH1 ARG 15 2HH2 ARG 15 -6.779 -0.532 -4.325
110 1HH2 ARG 15 1HH1 ARG 15 -8.616 -1.584 -7.058
111 2HH2 ARG 15 2HH1 ARG 15 -8.660 -0.816 -5.507
112 H ASP 16 H ASP 16 0.338 -0.809 -4.985
113 HA ASP 16 HA ASP 16 0.148 -3.623 -4.210
114 1HB ASP 16 2HB ASP 16 2.256 -1.632 -4.668
115 2HB ASP 16 1HB ASP 16 2.589 -2.691 -3.300
116 H CYS 17 H CYS 17 -0.800 -0.830 -2.665
117 HA CYS 17 HA CYS 17 0.039 -1.808 0.021
118 1HB CYS 17 2HB CYS 17 -0.999 0.883 -0.903
119 2HB CYS 17 1HB CYS 17 -0.643 0.478 0.774
120 H CYS 18 H CYS 18 -1.696 -1.306 1.762
121 HA CYS 18 HA CYS 18 -4.182 -2.610 0.915
122 1HB CYS 18 2HB CYS 18 -3.006 -1.824 3.587
123 2HB CYS 18 1HB CYS 18 -4.581 -2.570 3.411
124 H GLU 19 H GLU 19 -6.104 -1.617 2.487
125 HA GLU 19 HA GLU 19 -6.853 0.852 1.265
126 1HB GLU 19 2HB GLU 19 -8.192 -1.076 2.620
127 2HB GLU 19 1HB GLU 19 -8.091 0.161 3.868
128 1HG GLU 19 2HG GLU 19 -8.949 1.814 2.127
129 2HG GLU 19 1HG GLU 19 -9.305 0.418 1.109
130 H LEU 20 H LEU 20 -5.710 0.108 4.537
131 HA LEU 20 HA LEU 20 -5.765 2.742 5.585
132 1HB LEU 20 2HB LEU 20 -4.076 1.941 7.213
133 2HB LEU 20 1HB LEU 20 -5.388 0.782 7.011
134 HG LEU 20 HG LEU 20 -3.125 0.408 5.142
135 1HD1 LEU 20 1HD1 LEU 20 -2.173 1.121 7.483
136 2HD1 LEU 20 2HD1 LEU 20 -1.510 -0.300 6.676
137 3HD1 LEU 20 3HD1 LEU 20 -2.686 -0.493 7.976
138 1HD2 LEU 20 1HD2 LEU 20 -4.520 -1.409 5.046
139 2HD2 LEU 20 2HD2 LEU 20 -5.097 -1.179 6.697
140 3HD2 LEU 20 3HD2 LEU 20 -3.543 -1.960 6.407
141 H THR 21 H THR 21 -3.626 1.318 3.271
142 HA THR 21 HA THR 21 -1.960 3.796 3.320
143 HB THR 21 HB THR 21 -0.168 2.198 2.306
144 HG1 THR 21 1HG THR 21 -0.439 0.058 3.006
145 1HG2 THR 21 1HG2 THR 21 0.254 1.321 4.780
146 2HG2 THR 21 2HG2 THR 21 -1.044 2.455 5.153
147 3HG2 THR 21 3HG2 THR 21 0.433 3.029 4.377
148 HA PRO 22 HA PRO 22 -3.763 3.425 -0.866
149 1HB PRO 22 2HB PRO 22 -4.471 6.049 -1.088
150 2HB PRO 22 1HB PRO 22 -5.461 4.842 -0.257
151 1HG PRO 22 2HG PRO 22 -3.955 7.079 0.867
152 2HG PRO 22 1HG PRO 22 -5.215 6.088 1.614
153 1HD PRO 22 2HD PRO 22 -2.328 5.889 1.930
154 2HD PRO 22 1HD PRO 22 -3.601 5.015 2.809
155 H VAL 23 H VAL 23 -0.907 4.609 0.236
156 HA VAL 23 HA VAL 23 -0.122 5.511 -2.500
157 HB VAL 23 HB VAL 23 0.836 6.824 0.059
158 1HG1 VAL 23 1HG1 VAL 23 1.542 8.563 -1.749
159 2HG1 VAL 23 2HG1 VAL 23 1.355 7.226 -2.883
160 3HG1 VAL 23 3HG1 VAL 23 2.519 7.107 -1.563
161 1HG2 VAL 23 1HG2 VAL 23 -0.482 8.793 -0.982
162 2HG2 VAL 23 2HG2 VAL 23 -1.398 7.536 -0.150
163 3HG2 VAL 23 3HG2 VAL 23 -1.320 7.552 -1.912
164 H CYS 24 H CYS 24 2.058 5.142 -3.011
165 HA CYS 24 HA CYS 24 3.568 3.389 -1.135
166 1HB CYS 24 2HB CYS 24 2.461 1.958 -2.801
167 2HB CYS 24 1HB CYS 24 3.125 2.937 -4.105
168 H LYS 25 H LYS 25 4.948 5.137 -0.641
169 HA LYS 25 HA LYS 25 6.520 6.204 -2.962
170 1HB LYS 25 2HB LYS 25 5.239 7.922 -1.728
171 2HB LYS 25 1HB LYS 25 6.111 7.504 -0.259
172 1HG LYS 25 2HG LYS 25 7.264 9.384 -1.153
173 2HG LYS 25 1HG LYS 25 8.249 7.992 -1.600
174 1HD LYS 25 2HD LYS 25 8.118 9.102 -3.640
175 2HD LYS 25 1HD LYS 25 6.738 8.010 -3.769
176 1HE LYS 25 2HE LYS 25 5.838 10.103 -4.378
177 2HE LYS 25 1HE LYS 25 5.381 9.936 -2.681
178 1HZ LYS 25 1HZ LYS 25 7.562 11.560 -3.843
179 2HZ LYS 25 2HZ LYS 25 7.538 11.147 -2.194
180 3HZ LYS 25 3HZ LYS 25 6.276 12.069 -2.861
181 H ARG 26 H ARG 26 8.713 6.236 -2.817
182 HA ARG 26 HA ARG 26 10.842 5.451 -2.197
183 1HB ARG 26 2HB ARG 26 10.094 6.896 -0.139
184 2HB ARG 26 1HB ARG 26 9.903 5.335 0.658
185 1HG ARG 26 2HG ARG 26 12.325 4.938 -0.428
186 2HG ARG 26 1HG ARG 26 12.384 6.694 -0.274
187 1HD ARG 26 2HD ARG 26 11.812 6.514 2.115
188 2HD ARG 26 1HD ARG 26 11.734 4.759 1.968
189 HE ARG 26 HE ARG 26 14.291 5.795 1.080
190 1HH1 ARG 26 1HH2 ARG 26 12.417 4.928 3.903
191 2HH1 ARG 26 2HH2 ARG 26 13.820 4.613 4.861
192 1HH2 ARG 26 1HH1 ARG 26 16.079 5.376 2.357
193 2HH2 ARG 26 2HH1 ARG 26 15.873 4.862 3.997
194 H GLY 27 H GLY 27 8.585 3.557 -2.735
195 1HA GLY 27 2HA GLY 27 8.262 1.234 -2.720
196 2HA GLY 27 1HA GLY 27 9.914 1.098 -2.112
197 H SER 28 H SER 28 7.390 2.937 -0.485
198 HA SER 28 HA SER 28 7.108 0.808 1.555
199 1HB SER 28 2HB SER 28 8.312 3.511 1.926
200 2HB SER 28 1HB SER 28 7.239 2.926 3.195
201 HG SER 28 HG SER 28 8.830 1.717 3.813
202 H CYS 29 H CYS 29 5.022 0.605 2.094
203 HA CYS 29 HA CYS 29 2.976 2.217 0.901
204 1HB CYS 29 2HB CYS 29 2.962 0.124 3.080
205 2HB CYS 29 1HB CYS 29 1.488 0.959 2.591
206 H VAL 30 H VAL 30 1.642 3.788 1.812
207 HA VAL 30 HA VAL 30 2.071 4.631 4.603
208 HB VAL 30 HB VAL 30 2.490 6.998 3.912
209 1HG1 VAL 30 1HG1 VAL 30 4.843 6.683 3.416
210 2HG1 VAL 30 2HG1 VAL 30 4.537 5.057 2.804
211 3HG1 VAL 30 3HG1 VAL 30 4.334 5.405 4.520
212 1HG2 VAL 30 1HG2 VAL 30 3.513 6.965 1.426
213 2HG2 VAL 30 2HG2 VAL 30 1.815 7.328 1.735
214 3HG2 VAL 30 3HG2 VAL 30 2.291 5.708 1.229
215 H SER 31 H SER 31 0.424 6.243 5.257
216 HA SER 31 HA SER 31 -2.154 5.636 4.043
217 1HB SER 31 2HB SER 31 -2.862 7.439 5.825
218 2HB SER 31 1HB SER 31 -2.337 5.840 6.347
219 HG SER 31 HG SER 31 -0.873 6.894 7.421
220 H SER 32 H SER 32 0.186 7.800 3.094
221 HA SER 32 HA SER 32 -1.542 9.220 1.322
222 1HB SER 32 2HB SER 32 -0.944 11.516 2.539
223 2HB SER 32 1HB SER 32 -2.396 10.611 2.959
224 HG SER 32 HG SER 32 -0.474 11.299 4.563
Start of MODEL 16
1 1H LEU 1 1HT LEU 1 -16.810 -6.295 -1.322
2 2H LEU 1 2HT LEU 1 -15.704 -6.880 -0.174
3 3H LEU 1 3HT LEU 1 -15.951 -7.724 -1.626
4 HA LEU 1 HA LEU 1 -14.780 -6.218 -2.889
5 1HB LEU 1 2HB LEU 1 -15.412 -4.321 -0.624
6 2HB LEU 1 1HB LEU 1 -14.180 -3.941 -1.830
7 HG LEU 1 HG LEU 1 -16.816 -4.883 -2.848
8 1HD1 LEU 1 1HD1 LEU 1 -16.377 -2.071 -1.798
9 2HD1 LEU 1 2HD1 LEU 1 -17.405 -3.281 -1.030
10 3HD1 LEU 1 3HD1 LEU 1 -17.816 -2.662 -2.630
11 1HD2 LEU 1 1HD2 LEU 1 -16.142 -2.743 -4.318
12 2HD2 LEU 1 2HD2 LEU 1 -15.426 -4.328 -4.605
13 3HD2 LEU 1 3HD2 LEU 1 -14.548 -3.121 -3.666
14 H LEU 2 H LEU 2 -12.469 -5.801 -2.815
15 HA LEU 2 HA LEU 2 -11.130 -6.642 -0.281
16 1HB LEU 2 2HB LEU 2 -10.551 -7.659 -3.079
17 2HB LEU 2 1HB LEU 2 -9.505 -7.945 -1.687
18 HG LEU 2 HG LEU 2 -12.407 -8.614 -1.419
19 1HD1 LEU 2 1HD1 LEU 2 -10.517 -10.632 -2.602
20 2HD1 LEU 2 2HD1 LEU 2 -11.376 -9.514 -3.662
21 3HD1 LEU 2 3HD1 LEU 2 -12.281 -10.614 -2.624
22 1HD2 LEU 2 1HD2 LEU 2 -10.890 -8.847 0.494
23 2HD2 LEU 2 2HD2 LEU 2 -9.809 -9.861 -0.462
24 3HD2 LEU 2 3HD2 LEU 2 -11.421 -10.441 -0.041
25 H ALA 3 H ALA 3 -9.632 -5.155 0.298
26 HA ALA 3 HA ALA 3 -8.151 -3.689 -1.820
27 1HB ALA 3 1HB ALA 3 -8.597 -1.532 -0.830
28 2HB ALA 3 2HB ALA 3 -9.450 -2.273 0.525
29 3HB ALA 3 3HB ALA 3 -10.152 -2.321 -1.094
30 H CYS 4 H CYS 4 -7.016 -5.709 -0.424
31 HA CYS 4 HA CYS 4 -4.790 -4.488 0.860
32 1HB CYS 4 2HB CYS 4 -6.413 -4.104 2.694
33 2HB CYS 4 1HB CYS 4 -6.751 -5.832 2.746
34 H LEU 5 H LEU 5 -3.612 -5.909 -0.415
35 HA LEU 5 HA LEU 5 -3.838 -8.802 0.322
36 1HB LEU 5 2HB LEU 5 -3.053 -9.301 -2.006
37 2HB LEU 5 1HB LEU 5 -4.635 -8.524 -1.959
38 HG LEU 5 HG LEU 5 -2.286 -6.707 -2.099
39 1HD1 LEU 5 1HD1 LEU 5 -3.197 -8.399 -4.447
40 2HD1 LEU 5 2HD1 LEU 5 -1.612 -8.462 -3.677
41 3HD1 LEU 5 3HD1 LEU 5 -2.108 -7.017 -4.557
42 1HD2 LEU 5 1HD2 LEU 5 -3.792 -5.385 -3.406
43 2HD2 LEU 5 2HD2 LEU 5 -4.768 -6.077 -2.111
44 3HD2 LEU 5 3HD2 LEU 5 -4.835 -6.769 -3.731
45 H PHE 6 H PHE 6 -2.121 -6.628 1.429
46 HA PHE 6 HA PHE 6 0.530 -7.832 0.742
47 1HB PHE 6 2HB PHE 6 -0.350 -5.049 0.694
48 2HB PHE 6 1HB PHE 6 1.032 -5.267 1.767
49 HD1 PHE 6 1HD PHE 6 -0.148 -6.394 -1.618
50 HD2 PHE 6 2HD PHE 6 3.161 -5.164 0.829
51 HE1 PHE 6 1HE PHE 6 1.359 -6.535 -3.583
52 HE2 PHE 6 2HE PHE 6 4.667 -5.304 -1.136
53 HZ PHE 6 HZ PHE 6 3.765 -5.990 -3.342
54 H GLY 7 H GLY 7 -0.483 -5.512 3.256
55 1HA GLY 7 2HA GLY 7 -0.663 -5.856 5.602
56 2HA GLY 7 1HA GLY 7 -0.223 -7.548 5.360
57 H ASN 8 H ASN 8 1.651 -4.899 4.017
58 HA ASN 8 HA ASN 8 3.681 -5.130 6.161
59 1HB ASN 8 2HB ASN 8 3.978 -6.151 3.376
60 2HB ASN 8 1HB ASN 8 5.356 -5.291 4.064
61 1HD2 ASN 8 1HD2 ASN 8 3.089 -7.987 4.804
62 2HD2 ASN 8 2HD2 ASN 8 4.197 -8.857 5.751
63 H GLY 9 H GLY 9 5.622 -3.577 5.434
64 1HA GLY 9 2HA GLY 9 4.317 -1.047 4.540
65 2HA GLY 9 1HA GLY 9 5.750 -1.131 5.564
66 H ARG 10 H ARG 10 5.553 -3.270 2.824
67 HA ARG 10 HA ARG 10 7.455 -1.506 1.333
68 1HB ARG 10 2HB ARG 10 7.534 -4.537 1.454
69 2HB ARG 10 1HB ARG 10 8.698 -3.483 0.651
70 1HG ARG 10 2HG ARG 10 8.755 -2.426 3.150
71 2HG ARG 10 1HG ARG 10 8.386 -4.107 3.536
72 1HD ARG 10 2HD ARG 10 10.650 -3.274 1.704
73 2HD ARG 10 1HD ARG 10 10.856 -3.581 3.429
74 HE ARG 10 HE ARG 10 9.554 -5.796 2.073
75 1HH1 ARG 10 1HH2 ARG 10 12.642 -4.311 2.783
76 2HH1 ARG 10 2HH2 ARG 10 13.508 -5.797 2.612
77 1HH2 ARG 10 1HH1 ARG 10 10.718 -7.695 1.862
78 2HH2 ARG 10 2HH1 ARG 10 12.433 -7.693 2.096
79 H CYS 11 H CYS 11 6.933 -1.201 -0.811
80 HA CYS 11 HA CYS 11 5.093 -3.095 -2.150
81 1HB CYS 11 2HB CYS 11 3.664 -1.120 -2.907
82 2HB CYS 11 1HB CYS 11 3.464 -1.612 -1.232
83 H SER 12 H SER 12 4.574 -2.050 -4.426
84 HA SER 12 HA SER 12 7.043 -0.795 -5.533
85 1HB SER 12 2HB SER 12 5.504 -2.959 -6.973
86 2HB SER 12 1HB SER 12 7.091 -2.308 -7.373
87 HG SER 12 HG SER 12 7.277 -4.298 -6.296
88 H SER 13 H SER 13 3.927 -0.235 -4.945
89 HA SER 13 HA SER 13 3.612 1.831 -6.860
90 1HB SER 13 2HB SER 13 3.261 0.246 -8.582
91 2HB SER 13 1HB SER 13 2.349 -0.829 -7.528
92 HG SER 13 HG SER 13 0.757 0.176 -8.546
93 H ASN 14 H ASN 14 1.330 2.739 -6.710
94 HA ASN 14 HA ASN 14 0.492 2.923 -4.002
95 1HB ASN 14 2HB ASN 14 -0.619 3.773 -6.634
96 2HB ASN 14 1HB ASN 14 -1.719 3.763 -5.255
97 1HD2 ASN 14 1HD2 ASN 14 -1.823 6.054 -4.924
98 2HD2 ASN 14 2HD2 ASN 14 -0.473 6.981 -4.479
99 H ARG 15 H ARG 15 -0.821 0.978 -6.687
100 HA ARG 15 HA ARG 15 -2.995 -0.100 -5.128
101 1HB ARG 15 2HB ARG 15 -1.981 -0.341 -7.827
102 2HB ARG 15 1HB ARG 15 -2.443 -1.919 -7.193
103 1HG ARG 15 2HG ARG 15 -4.386 -0.916 -8.251
104 2HG ARG 15 1HG ARG 15 -4.646 -0.932 -6.508
105 1HD ARG 15 2HD ARG 15 -4.708 1.327 -6.398
106 2HD ARG 15 1HD ARG 15 -3.278 1.497 -7.414
107 HE ARG 15 HE ARG 15 -4.718 1.916 -9.214
108 1HH1 ARG 15 1HH2 ARG 15 -6.419 0.097 -6.757
109 2HH1 ARG 15 2HH2 ARG 15 -7.918 0.146 -7.617
110 1HH2 ARG 15 1HH1 ARG 15 -6.677 1.953 -10.291
111 2HH2 ARG 15 2HH1 ARG 15 -8.065 1.184 -9.596
112 H ASP 16 H ASP 16 0.324 -0.750 -5.045
113 HA ASP 16 HA ASP 16 0.106 -3.582 -4.359
114 1HB ASP 16 2HB ASP 16 2.233 -1.612 -4.802
115 2HB ASP 16 1HB ASP 16 2.583 -2.704 -3.465
116 H CYS 17 H CYS 17 -0.750 -0.819 -2.690
117 HA CYS 17 HA CYS 17 0.156 -1.881 -0.063
118 1HB CYS 17 2HB CYS 17 -0.992 0.799 -0.883
119 2HB CYS 17 1HB CYS 17 -0.627 0.352 0.783
120 H CYS 18 H CYS 18 -1.663 -1.203 1.703
121 HA CYS 18 HA CYS 18 -4.071 -2.704 0.876
122 1HB CYS 18 2HB CYS 18 -2.701 -2.082 3.461
123 2HB CYS 18 1HB CYS 18 -4.400 -2.497 3.479
124 H GLU 19 H GLU 19 -6.003 -1.817 2.507
125 HA GLU 19 HA GLU 19 -6.861 0.649 1.346
126 1HB GLU 19 2HB GLU 19 -8.105 -1.363 2.675
127 2HB GLU 19 1HB GLU 19 -8.037 -0.149 3.948
128 1HG GLU 19 2HG GLU 19 -9.256 1.432 2.659
129 2HG GLU 19 1HG GLU 19 -9.015 0.519 1.168
130 H LEU 20 H LEU 20 -5.623 -0.140 4.569
131 HA LEU 20 HA LEU 20 -5.767 2.466 5.689
132 1HB LEU 20 2HB LEU 20 -4.015 1.669 7.268
133 2HB LEU 20 1HB LEU 20 -5.330 0.510 7.076
134 HG LEU 20 HG LEU 20 -3.619 -0.267 5.067
135 1HD1 LEU 20 1HD1 LEU 20 -2.002 1.465 6.164
136 2HD1 LEU 20 2HD1 LEU 20 -1.378 -0.133 5.756
137 3HD1 LEU 20 3HD1 LEU 20 -1.813 0.244 7.422
138 1HD2 LEU 20 1HD2 LEU 20 -4.567 -1.907 6.475
139 2HD2 LEU 20 2HD2 LEU 20 -3.947 -1.140 7.937
140 3HD2 LEU 20 3HD2 LEU 20 -2.847 -1.993 6.855
141 H THR 21 H THR 21 -3.625 1.192 3.295
142 HA THR 21 HA THR 21 -2.069 3.737 3.380
143 HB THR 21 HB THR 21 -0.169 2.229 2.411
144 HG1 THR 21 1HG THR 21 -1.705 0.329 3.846
145 1HG2 THR 21 1HG2 THR 21 -0.996 2.844 5.138
146 2HG2 THR 21 2HG2 THR 21 0.613 2.883 4.420
147 3HG2 THR 21 3HG2 THR 21 -0.026 1.373 5.064
148 HA PRO 22 HA PRO 22 -3.684 3.239 -0.865
149 1HB PRO 22 2HB PRO 22 -4.506 5.827 -1.136
150 2HB PRO 22 1HB PRO 22 -5.466 4.584 -0.321
151 1HG PRO 22 2HG PRO 22 -4.120 6.904 0.823
152 2HG PRO 22 1HG PRO 22 -5.323 5.834 1.557
153 1HD PRO 22 2HD PRO 22 -2.418 5.813 1.882
154 2HD PRO 22 1HD PRO 22 -3.646 4.914 2.801
155 H VAL 23 H VAL 23 -0.930 4.576 0.329
156 HA VAL 23 HA VAL 23 -0.120 5.589 -2.366
157 HB VAL 23 HB VAL 23 0.762 6.728 0.306
158 1HG1 VAL 23 1HG1 VAL 23 1.522 7.203 -2.553
159 2HG1 VAL 23 2HG1 VAL 23 2.538 7.199 -1.111
160 3HG1 VAL 23 3HG1 VAL 23 1.496 8.581 -1.451
161 1HG2 VAL 23 1HG2 VAL 23 -0.827 8.222 -1.750
162 2HG2 VAL 23 2HG2 VAL 23 -0.717 8.493 -0.010
163 3HG2 VAL 23 3HG2 VAL 23 -1.664 7.144 -0.634
164 H CYS 24 H CYS 24 2.030 5.185 -2.931
165 HA CYS 24 HA CYS 24 3.571 3.385 -1.128
166 1HB CYS 24 2HB CYS 24 2.387 1.978 -2.759
167 2HB CYS 24 1HB CYS 24 3.018 2.956 -4.080
168 H LYS 25 H LYS 25 4.958 5.155 -0.685
169 HA LYS 25 HA LYS 25 6.484 6.178 -3.055
170 1HB LYS 25 2HB LYS 25 5.278 7.922 -1.783
171 2HB LYS 25 1HB LYS 25 6.200 7.494 -0.348
172 1HG LYS 25 2HG LYS 25 8.270 8.142 -1.409
173 2HG LYS 25 1HG LYS 25 7.463 8.351 -2.964
174 1HD LYS 25 2HD LYS 25 6.517 9.922 -0.583
175 2HD LYS 25 1HD LYS 25 7.946 10.457 -1.469
176 1HE LYS 25 2HE LYS 25 5.529 9.724 -3.061
177 2HE LYS 25 1HE LYS 25 5.493 11.247 -2.175
178 1HZ LYS 25 1HZ LYS 25 7.837 10.555 -3.814
179 2HZ LYS 25 2HZ LYS 25 7.258 12.087 -3.361
180 3HZ LYS 25 3HZ LYS 25 6.450 11.189 -4.556
181 H ARG 26 H ARG 26 8.667 6.152 -3.003
182 HA ARG 26 HA ARG 26 10.799 5.315 -2.471
183 1HB ARG 26 2HB ARG 26 10.169 6.828 -0.414
184 2HB ARG 26 1HB ARG 26 10.014 5.287 0.428
185 1HG ARG 26 2HG ARG 26 12.277 4.716 0.041
186 2HG ARG 26 1HG ARG 26 12.457 5.944 -1.212
187 1HD ARG 26 2HD ARG 26 11.858 7.611 0.732
188 2HD ARG 26 1HD ARG 26 12.382 6.284 1.770
189 HE ARG 26 HE ARG 26 14.585 6.803 1.166
190 1HH1 ARG 26 1HH2 ARG 26 12.396 7.947 -1.311
191 2HH1 ARG 26 2HH2 ARG 26 13.663 8.671 -2.238
192 1HH2 ARG 26 1HH1 ARG 26 16.193 7.754 -0.066
193 2HH2 ARG 26 2HH1 ARG 26 15.791 8.564 -1.543
194 H GLY 27 H GLY 27 8.487 3.462 -2.859
195 1HA GLY 27 2HA GLY 27 8.123 1.146 -2.775
196 2HA GLY 27 1HA GLY 27 9.790 0.992 -2.216
197 H SER 28 H SER 28 7.334 2.911 -0.573
198 HA SER 28 HA SER 28 7.096 0.849 1.542
199 1HB SER 28 2HB SER 28 7.877 3.740 2.026
200 2HB SER 28 1HB SER 28 7.506 2.563 3.283
201 HG SER 28 HG SER 28 9.283 1.377 2.661
202 H CYS 29 H CYS 29 5.015 0.652 2.091
203 HA CYS 29 HA CYS 29 2.957 2.279 0.931
204 1HB CYS 29 2HB CYS 29 2.946 0.198 3.126
205 2HB CYS 29 1HB CYS 29 1.476 1.011 2.591
206 H VAL 30 H VAL 30 1.683 3.883 1.847
207 HA VAL 30 HA VAL 30 2.111 4.681 4.651
208 HB VAL 30 HB VAL 30 2.604 7.040 3.999
209 1HG1 VAL 30 1HG1 VAL 30 4.601 5.076 2.843
210 2HG1 VAL 30 2HG1 VAL 30 4.400 5.368 4.570
211 3HG1 VAL 30 3HG1 VAL 30 4.945 6.670 3.514
212 1HG2 VAL 30 1HG2 VAL 30 2.430 5.790 1.283
213 2HG2 VAL 30 2HG2 VAL 30 3.608 7.078 1.530
214 3HG2 VAL 30 3HG2 VAL 30 1.896 7.383 1.819
215 H SER 31 H SER 31 0.530 6.409 5.270
216 HA SER 31 HA SER 31 -2.018 6.006 3.801
217 1HB SER 31 2HB SER 31 -1.551 7.330 6.485
218 2HB SER 31 1HB SER 31 -3.101 6.835 5.809
219 HG SER 31 HG SER 31 -2.360 4.685 5.880
220 H SER 32 H SER 32 0.070 7.788 2.742
221 HA SER 32 HA SER 32 -1.503 10.008 1.948
222 1HB SER 32 2HB SER 32 0.064 10.377 4.450
223 2HB SER 32 1HB SER 32 0.168 11.677 3.266
224 HG SER 32 HG SER 32 -1.639 11.647 4.902
Start of MODEL 17
1 1H LEU 1 1HT LEU 1 -14.500 -4.429 2.437
2 2H LEU 1 2HT LEU 1 -14.338 -2.787 2.844
3 3H LEU 1 3HT LEU 1 -13.032 -3.851 3.058
4 HA LEU 1 HA LEU 1 -14.214 -3.386 0.391
5 1HB LEU 1 2HB LEU 1 -12.423 -1.643 2.008
6 2HB LEU 1 1HB LEU 1 -11.972 -1.888 0.321
7 HG LEU 1 HG LEU 1 -14.593 -1.426 -0.026
8 1HD1 LEU 1 1HD1 LEU 1 -13.818 -0.103 2.577
9 2HD1 LEU 1 2HD1 LEU 1 -15.250 -1.071 2.225
10 3HD1 LEU 1 3HD1 LEU 1 -15.096 0.553 1.552
11 1HD2 LEU 1 1HD2 LEU 1 -12.523 0.749 0.428
12 2HD2 LEU 1 2HD2 LEU 1 -13.982 0.894 -0.552
13 3HD2 LEU 1 3HD2 LEU 1 -12.689 -0.196 -1.053
14 H LEU 2 H LEU 2 -13.236 -4.736 -1.044
15 HA LEU 2 HA LEU 2 -11.152 -6.560 -0.109
16 1HB LEU 2 2HB LEU 2 -13.160 -6.795 -1.943
17 2HB LEU 2 1HB LEU 2 -11.794 -6.468 -3.005
18 HG LEU 2 HG LEU 2 -12.049 -8.885 -2.664
19 1HD1 LEU 2 1HD1 LEU 2 -9.762 -7.811 -2.858
20 2HD1 LEU 2 2HD1 LEU 2 -9.777 -9.390 -2.073
21 3HD1 LEU 2 3HD1 LEU 2 -9.640 -7.925 -1.102
22 1HD2 LEU 2 1HD2 LEU 2 -11.221 -9.286 -0.003
23 2HD2 LEU 2 2HD2 LEU 2 -12.825 -9.591 -0.666
24 3HD2 LEU 2 3HD2 LEU 2 -12.467 -8.040 0.090
25 H ALA 3 H ALA 3 -9.847 -4.370 0.250
26 HA ALA 3 HA ALA 3 -8.022 -4.125 -2.095
27 1HB ALA 3 1HB ALA 3 -9.344 -2.128 -2.221
28 2HB ALA 3 2HB ALA 3 -7.810 -1.658 -1.491
29 3HB ALA 3 3HB ALA 3 -9.239 -1.871 -0.480
30 H CYS 4 H CYS 4 -6.902 -5.731 -0.610
31 HA CYS 4 HA CYS 4 -4.743 -4.480 0.761
32 1HB CYS 4 2HB CYS 4 -6.465 -4.003 2.476
33 2HB CYS 4 1HB CYS 4 -6.839 -5.720 2.572
34 H LEU 5 H LEU 5 -3.526 -5.978 -0.404
35 HA LEU 5 HA LEU 5 -3.823 -8.827 0.466
36 1HB LEU 5 2HB LEU 5 -2.941 -9.452 -1.797
37 2HB LEU 5 1HB LEU 5 -4.515 -8.660 -1.860
38 HG LEU 5 HG LEU 5 -2.150 -6.868 -1.986
39 1HD1 LEU 5 1HD1 LEU 5 -2.161 -7.355 -4.553
40 2HD1 LEU 5 2HD1 LEU 5 -2.825 -8.921 -4.084
41 3HD1 LEU 5 3HD1 LEU 5 -1.239 -8.422 -3.492
42 1HD2 LEU 5 1HD2 LEU 5 -4.537 -6.117 -2.136
43 2HD2 LEU 5 2HD2 LEU 5 -4.700 -7.051 -3.623
44 3HD2 LEU 5 3HD2 LEU 5 -3.589 -5.683 -3.559
45 H PHE 6 H PHE 6 -2.135 -6.618 1.539
46 HA PHE 6 HA PHE 6 0.528 -7.895 1.055
47 1HB PHE 6 2HB PHE 6 -0.284 -5.137 0.684
48 2HB PHE 6 1HB PHE 6 0.963 -5.231 1.925
49 HD1 PHE 6 1HD PHE 6 3.216 -5.423 1.305
50 HD2 PHE 6 2HD PHE 6 0.151 -6.488 -1.511
51 HE1 PHE 6 1HE PHE 6 4.939 -5.747 -0.449
52 HE2 PHE 6 2HE PHE 6 1.875 -6.810 -3.265
53 HZ PHE 6 HZ PHE 6 4.268 -6.440 -2.733
54 H GLY 7 H GLY 7 -0.536 -5.367 3.332
55 1HA GLY 7 2HA GLY 7 -0.833 -5.521 5.687
56 2HA GLY 7 1HA GLY 7 -0.430 -7.237 5.598
57 H ASN 8 H ASN 8 1.594 -4.781 4.119
58 HA ASN 8 HA ASN 8 3.528 -4.951 6.371
59 1HB ASN 8 2HB ASN 8 3.845 -6.622 4.254
60 2HB ASN 8 1HB ASN 8 4.707 -5.203 3.657
61 1HD2 ASN 8 1HD2 ASN 8 4.799 -7.811 5.998
62 2HD2 ASN 8 2HD2 ASN 8 6.315 -7.426 6.657
63 H GLY 9 H GLY 9 5.628 -3.575 5.210
64 1HA GLY 9 2HA GLY 9 4.350 -0.981 4.437
65 2HA GLY 9 1HA GLY 9 5.774 -1.078 5.473
66 H ARG 10 H ARG 10 5.531 -3.260 2.765
67 HA ARG 10 HA ARG 10 7.488 -1.572 1.257
68 1HB ARG 10 2HB ARG 10 8.501 -3.766 0.492
69 2HB ARG 10 1HB ARG 10 8.740 -3.405 2.201
70 1HG ARG 10 2HG ARG 10 6.973 -4.907 2.847
71 2HG ARG 10 1HG ARG 10 6.465 -5.120 1.174
72 1HD ARG 10 2HD ARG 10 9.297 -5.756 1.565
73 2HD ARG 10 1HD ARG 10 8.234 -6.762 2.549
74 HE ARG 10 HE ARG 10 7.107 -6.711 -0.030
75 1HH1 ARG 10 1HH2 ARG 10 10.076 -7.770 1.485
76 2HH1 ARG 10 2HH2 ARG 10 10.331 -9.033 0.333
77 1HH2 ARG 10 1HH1 ARG 10 7.476 -8.357 -1.499
78 2HH2 ARG 10 2HH1 ARG 10 8.876 -9.363 -1.339
79 H CYS 11 H CYS 11 6.967 -1.268 -0.884
80 HA CYS 11 HA CYS 11 5.107 -3.146 -2.214
81 1HB CYS 11 2HB CYS 11 3.695 -1.162 -2.978
82 2HB CYS 11 1HB CYS 11 3.491 -1.648 -1.302
83 H SER 12 H SER 12 4.595 -2.117 -4.492
84 HA SER 12 HA SER 12 7.072 -0.889 -5.613
85 1HB SER 12 2HB SER 12 6.994 -3.370 -6.044
86 2HB SER 12 1HB SER 12 5.493 -3.116 -6.929
87 HG SER 12 HG SER 12 6.601 -1.845 -8.388
88 H SER 13 H SER 13 3.967 -0.292 -5.012
89 HA SER 13 HA SER 13 3.656 1.764 -6.936
90 1HB SER 13 2HB SER 13 3.291 0.176 -8.651
91 2HB SER 13 1HB SER 13 2.372 -0.888 -7.592
92 HG SER 13 HG SER 13 1.144 0.461 -9.125
93 H ASN 14 H ASN 14 1.386 2.691 -6.783
94 HA ASN 14 HA ASN 14 0.554 2.894 -4.075
95 1HB ASN 14 2HB ASN 14 -0.548 3.743 -6.711
96 2HB ASN 14 1HB ASN 14 -1.659 3.732 -5.341
97 1HD2 ASN 14 1HD2 ASN 14 -1.768 6.010 -4.974
98 2HD2 ASN 14 2HD2 ASN 14 -0.420 6.942 -4.531
99 H ARG 15 H ARG 15 -0.810 0.962 -6.750
100 HA ARG 15 HA ARG 15 -2.972 -0.097 -5.163
101 1HB ARG 15 2HB ARG 15 -2.014 -0.325 -7.875
102 2HB ARG 15 1HB ARG 15 -2.434 -1.916 -7.246
103 1HG ARG 15 2HG ARG 15 -4.664 -1.392 -7.019
104 2HG ARG 15 1HG ARG 15 -4.339 0.313 -6.701
105 1HD ARG 15 2HD ARG 15 -5.137 0.528 -8.845
106 2HD ARG 15 1HD ARG 15 -3.451 0.186 -9.236
107 HE ARG 15 HE ARG 15 -4.917 -2.273 -8.990
108 1HH1 ARG 15 1HH2 ARG 15 -4.468 0.472 -11.113
109 2HH1 ARG 15 2HH2 ARG 15 -4.884 -0.429 -12.529
110 1HH2 ARG 15 1HH1 ARG 15 -5.448 -3.398 -10.850
111 2HH2 ARG 15 2HH1 ARG 15 -5.434 -2.595 -12.384
112 H ASP 16 H ASP 16 0.337 -0.771 -5.096
113 HA ASP 16 HA ASP 16 0.101 -3.606 -4.420
114 1HB ASP 16 2HB ASP 16 2.240 -1.655 -4.878
115 2HB ASP 16 1HB ASP 16 2.591 -2.748 -3.541
116 H CYS 17 H CYS 17 -0.725 -0.846 -2.740
117 HA CYS 17 HA CYS 17 0.194 -1.915 -0.120
118 1HB CYS 17 2HB CYS 17 -0.948 0.770 -0.929
119 2HB CYS 17 1HB CYS 17 -0.572 0.319 0.734
120 H CYS 18 H CYS 18 -1.638 -1.165 1.643
121 HA CYS 18 HA CYS 18 -4.045 -2.688 0.844
122 1HB CYS 18 2HB CYS 18 -2.642 -2.070 3.399
123 2HB CYS 18 1HB CYS 18 -4.358 -2.399 3.460
124 H GLU 19 H GLU 19 -5.989 -1.784 2.426
125 HA GLU 19 HA GLU 19 -6.828 0.673 1.241
126 1HB GLU 19 2HB GLU 19 -8.086 -1.330 2.571
127 2HB GLU 19 1HB GLU 19 -8.042 -0.101 3.831
128 1HG GLU 19 2HG GLU 19 -8.864 0.772 1.098
129 2HG GLU 19 1HG GLU 19 -10.017 -0.190 2.024
130 H LEU 20 H LEU 20 -5.650 -0.077 4.498
131 HA LEU 20 HA LEU 20 -5.818 2.536 5.589
132 1HB LEU 20 2HB LEU 20 -4.047 1.769 7.178
133 2HB LEU 20 1HB LEU 20 -5.376 0.622 7.019
134 HG LEU 20 HG LEU 20 -3.238 0.177 5.049
135 1HD1 LEU 20 1HD1 LEU 20 -1.552 -0.620 6.560
136 2HD1 LEU 20 2HD1 LEU 20 -2.596 -0.367 7.957
137 3HD1 LEU 20 3HD1 LEU 20 -1.956 1.019 7.073
138 1HD2 LEU 20 1HD2 LEU 20 -3.996 -1.839 7.102
139 2HD2 LEU 20 2HD2 LEU 20 -3.855 -2.015 5.354
140 3HD2 LEU 20 3HD2 LEU 20 -5.292 -1.269 6.052
141 H THR 21 H THR 21 -3.623 1.246 3.248
142 HA THR 21 HA THR 21 -2.101 3.814 3.319
143 HB THR 21 HB THR 21 -0.107 2.421 2.543
144 HG1 THR 21 1HG THR 21 -0.244 0.214 3.071
145 1HG2 THR 21 1HG2 THR 21 -0.612 3.286 4.930
146 2HG2 THR 21 2HG2 THR 21 0.593 2.010 4.756
147 3HG2 THR 21 3HG2 THR 21 -1.039 1.614 5.293
148 HA PRO 22 HA PRO 22 -3.638 3.168 -0.942
149 1HB PRO 22 2HB PRO 22 -4.496 5.730 -1.312
150 2HB PRO 22 1HB PRO 22 -5.460 4.489 -0.499
151 1HG PRO 22 2HG PRO 22 -4.161 6.854 0.630
152 2HG PRO 22 1HG PRO 22 -5.421 5.827 1.324
153 1HD PRO 22 2HD PRO 22 -2.573 5.805 1.879
154 2HD PRO 22 1HD PRO 22 -3.858 4.860 2.666
155 H VAL 23 H VAL 23 -0.922 4.547 0.268
156 HA VAL 23 HA VAL 23 -0.097 5.543 -2.433
157 HB VAL 23 HB VAL 23 0.830 6.675 0.222
158 1HG1 VAL 23 1HG1 VAL 23 2.496 6.897 -1.540
159 2HG1 VAL 23 2HG1 VAL 23 1.748 8.471 -1.266
160 3HG1 VAL 23 3HG1 VAL 23 1.276 7.502 -2.661
161 1HG2 VAL 23 1HG2 VAL 23 -0.463 8.716 -0.884
162 2HG2 VAL 23 2HG2 VAL 23 -1.309 7.535 0.114
163 3HG2 VAL 23 3HG2 VAL 23 -1.379 7.415 -1.644
164 H CYS 24 H CYS 24 2.053 5.143 -2.995
165 HA CYS 24 HA CYS 24 3.603 3.346 -1.196
166 1HB CYS 24 2HB CYS 24 2.414 1.932 -2.820
167 2HB CYS 24 1HB CYS 24 3.034 2.909 -4.144
168 H LYS 25 H LYS 25 4.991 5.121 -0.768
169 HA LYS 25 HA LYS 25 6.502 6.136 -3.151
170 1HB LYS 25 2HB LYS 25 5.295 7.888 -1.896
171 2HB LYS 25 1HB LYS 25 6.204 7.468 -0.450
172 1HG LYS 25 2HG LYS 25 8.094 8.509 -1.189
173 2HG LYS 25 1HG LYS 25 7.852 7.976 -2.852
174 1HD LYS 25 2HD LYS 25 7.584 10.357 -2.870
175 2HD LYS 25 1HD LYS 25 5.960 9.678 -2.990
176 1HE LYS 25 2HE LYS 25 5.546 11.143 -1.278
177 2HE LYS 25 1HE LYS 25 6.180 9.817 -0.302
178 1HZ LYS 25 1HZ LYS 25 7.417 11.632 0.380
179 2HZ LYS 25 2HZ LYS 25 7.544 12.279 -1.186
180 3HZ LYS 25 3HZ LYS 25 8.439 10.900 -0.758
181 H ARG 26 H ARG 26 8.705 6.142 -3.072
182 HA ARG 26 HA ARG 26 10.834 5.313 -2.532
183 1HB ARG 26 2HB ARG 26 9.958 6.725 -0.370
184 2HB ARG 26 1HB ARG 26 10.227 5.145 0.357
185 1HG ARG 26 2HG ARG 26 12.285 6.520 -1.384
186 2HG ARG 26 1HG ARG 26 12.240 6.703 0.369
187 1HD ARG 26 2HD ARG 26 12.550 4.095 -1.147
188 2HD ARG 26 1HD ARG 26 13.810 4.926 -0.236
189 HE ARG 26 HE ARG 26 11.688 4.511 1.563
190 1HH1 ARG 26 1HH2 ARG 26 13.854 2.566 -0.376
191 2HH1 ARG 26 2HH2 ARG 26 13.810 1.236 0.729
192 1HH2 ARG 26 1HH1 ARG 26 11.661 2.768 2.964
193 2HH2 ARG 26 2HH1 ARG 26 12.583 1.347 2.600
194 H GLY 27 H GLY 27 8.551 3.453 -2.971
195 1HA GLY 27 2HA GLY 27 8.171 1.140 -2.894
196 2HA GLY 27 1HA GLY 27 9.838 0.980 -2.337
197 H SER 28 H SER 28 7.387 2.883 -0.667
198 HA SER 28 HA SER 28 7.141 0.794 1.420
199 1HB SER 28 2HB SER 28 8.327 3.527 1.728
200 2HB SER 28 1HB SER 28 7.361 2.879 3.050
201 HG SER 28 HG SER 28 9.133 1.859 3.540
202 H CYS 29 H CYS 29 5.066 0.614 1.995
203 HA CYS 29 HA CYS 29 3.007 2.247 0.849
204 1HB CYS 29 2HB CYS 29 3.002 0.179 3.059
205 2HB CYS 29 1HB CYS 29 1.532 0.991 2.520
206 H VAL 30 H VAL 30 1.737 3.851 1.778
207 HA VAL 30 HA VAL 30 2.200 4.659 4.570
208 HB VAL 30 HB VAL 30 2.686 7.019 3.906
209 1HG1 VAL 30 1HG1 VAL 30 4.448 5.170 4.375
210 2HG1 VAL 30 2HG1 VAL 30 4.994 6.660 3.607
211 3HG1 VAL 30 3HG1 VAL 30 4.736 5.212 2.635
212 1HG2 VAL 30 1HG2 VAL 30 2.497 5.757 1.196
213 2HG2 VAL 30 2HG2 VAL 30 3.668 7.053 1.432
214 3HG2 VAL 30 3HG2 VAL 30 1.956 7.348 1.731
215 H SER 31 H SER 31 0.538 6.109 5.329
216 HA SER 31 HA SER 31 -1.961 5.883 3.753
217 1HB SER 31 2HB SER 31 -1.871 7.075 6.496
218 2HB SER 31 1HB SER 31 -3.106 6.058 5.760
219 HG SER 31 HG SER 31 -1.998 4.314 6.286
220 H SER 32 H SER 32 -0.160 7.711 2.674
221 HA SER 32 HA SER 32 0.032 9.935 1.979
222 1HB SER 32 2HB SER 32 -1.991 11.024 1.536
223 2HB SER 32 1HB SER 32 -2.482 9.338 1.608
224 HG SER 32 HG SER 32 -3.793 9.991 3.110
Start of MODEL 18
1 1H LEU 1 1HT LEU 1 -11.924 -2.178 5.307
2 2H LEU 1 2HT LEU 1 -10.661 -2.624 4.262
3 3H LEU 1 3HT LEU 1 -11.472 -3.807 5.172
4 HA LEU 1 HA LEU 1 -13.474 -3.514 3.941
5 1HB LEU 1 2HB LEU 1 -11.942 -1.174 2.809
6 2HB LEU 1 1HB LEU 1 -13.292 -1.889 1.929
7 HG LEU 1 HG LEU 1 -13.597 -1.115 4.823
8 1HD1 LEU 1 1HD1 LEU 1 -13.596 0.655 2.393
9 2HD1 LEU 1 2HD1 LEU 1 -12.936 0.971 3.997
10 3HD1 LEU 1 3HD1 LEU 1 -14.679 1.015 3.738
11 1HD2 LEU 1 1HD2 LEU 1 -15.488 -1.363 2.461
12 2HD2 LEU 1 2HD2 LEU 1 -15.968 -0.871 4.085
13 3HD2 LEU 1 3HD2 LEU 1 -15.344 -2.497 3.804
14 H LEU 2 H LEU 2 -13.545 -3.798 1.304
15 HA LEU 2 HA LEU 2 -11.813 -6.067 0.790
16 1HB LEU 2 2HB LEU 2 -14.232 -5.571 -0.091
17 2HB LEU 2 1HB LEU 2 -13.394 -4.668 -1.354
18 HG LEU 2 HG LEU 2 -11.925 -6.882 -1.475
19 1HD1 LEU 2 1HD1 LEU 2 -12.807 -8.279 0.152
20 2HD1 LEU 2 2HD1 LEU 2 -13.781 -8.767 -1.235
21 3HD1 LEU 2 3HD1 LEU 2 -14.442 -7.647 -0.044
22 1HD2 LEU 2 1HD2 LEU 2 -13.920 -7.754 -3.040
23 2HD2 LEU 2 2HD2 LEU 2 -12.953 -6.344 -3.471
24 3HD2 LEU 2 3HD2 LEU 2 -14.534 -6.133 -2.719
25 H ALA 3 H ALA 3 -9.765 -4.785 1.105
26 HA ALA 3 HA ALA 3 -8.501 -4.236 -1.400
27 1HB ALA 3 1HB ALA 3 -8.090 -1.697 -0.631
28 2HB ALA 3 2HB ALA 3 -9.698 -1.921 0.055
29 3HB ALA 3 3HB ALA 3 -9.438 -2.147 -1.675
30 H CYS 4 H CYS 4 -7.140 -5.749 -0.147
31 HA CYS 4 HA CYS 4 -4.872 -4.490 1.011
32 1HB CYS 4 2HB CYS 4 -6.398 -4.101 2.928
33 2HB CYS 4 1HB CYS 4 -6.720 -5.829 3.014
34 H LEU 5 H LEU 5 -3.726 -5.918 -0.282
35 HA LEU 5 HA LEU 5 -3.931 -8.809 0.465
36 1HB LEU 5 2HB LEU 5 -3.199 -9.306 -1.882
37 2HB LEU 5 1HB LEU 5 -4.781 -8.531 -1.794
38 HG LEU 5 HG LEU 5 -2.433 -6.716 -1.994
39 1HD1 LEU 5 1HD1 LEU 5 -1.944 -7.133 -4.241
40 2HD1 LEU 5 2HD1 LEU 5 -3.464 -7.984 -4.517
41 3HD1 LEU 5 3HD1 LEU 5 -2.164 -8.768 -3.616
42 1HD2 LEU 5 1HD2 LEU 5 -5.303 -6.841 -2.790
43 2HD2 LEU 5 2HD2 LEU 5 -4.235 -5.891 -3.824
44 3HD2 LEU 5 3HD2 LEU 5 -4.384 -5.497 -2.112
45 H PHE 6 H PHE 6 -2.166 -6.618 1.505
46 HA PHE 6 HA PHE 6 0.453 -7.859 0.773
47 1HB PHE 6 2HB PHE 6 -0.401 -5.052 0.789
48 2HB PHE 6 1HB PHE 6 1.061 -5.322 1.735
49 HD1 PHE 6 1HD PHE 6 3.109 -5.294 0.621
50 HD2 PHE 6 2HD PHE 6 -0.447 -6.333 -1.553
51 HE1 PHE 6 1HE PHE 6 4.432 -5.446 -1.471
52 HE2 PHE 6 2HE PHE 6 0.877 -6.486 -3.645
53 HZ PHE 6 HZ PHE 6 3.316 -6.042 -3.604
54 H GLY 7 H GLY 7 -0.504 -5.514 3.287
55 1HA GLY 7 2HA GLY 7 -0.620 -5.821 5.639
56 2HA GLY 7 1HA GLY 7 -0.226 -7.525 5.407
57 H ASN 8 H ASN 8 1.695 -4.962 3.975
58 HA ASN 8 HA ASN 8 3.770 -5.260 6.079
59 1HB ASN 8 2HB ASN 8 3.962 -6.190 3.256
60 2HB ASN 8 1HB ASN 8 5.372 -5.360 3.916
61 1HD2 ASN 8 1HD2 ASN 8 3.080 -8.014 4.760
62 2HD2 ASN 8 2HD2 ASN 8 4.231 -8.939 5.596
63 H GLY 9 H GLY 9 5.734 -3.725 5.259
64 1HA GLY 9 2HA GLY 9 4.424 -1.147 4.508
65 2HA GLY 9 1HA GLY 9 5.865 -1.270 5.515
66 H ARG 10 H ARG 10 5.644 -3.337 2.728
67 HA ARG 10 HA ARG 10 7.525 -1.533 1.257
68 1HB ARG 10 2HB ARG 10 7.626 -4.565 1.322
69 2HB ARG 10 1HB ARG 10 8.777 -3.487 0.530
70 1HG ARG 10 2HG ARG 10 8.879 -2.465 3.021
71 2HG ARG 10 1HG ARG 10 8.464 -4.132 3.419
72 1HD ARG 10 2HD ARG 10 10.897 -3.889 3.356
73 2HD ARG 10 1HD ARG 10 10.370 -4.910 2.019
74 HE ARG 10 HE ARG 10 10.424 -2.323 0.972
75 1HH1 ARG 10 1HH2 ARG 10 12.714 -4.475 2.508
76 2HH1 ARG 10 2HH2 ARG 10 14.063 -3.807 1.659
77 1HH2 ARG 10 1HH1 ARG 10 12.198 -1.489 -0.104
78 2HH2 ARG 10 2HH1 ARG 10 13.777 -2.134 0.195
79 H CYS 11 H CYS 11 6.982 -1.192 -0.877
80 HA CYS 11 HA CYS 11 5.148 -3.078 -2.234
81 1HB CYS 11 2HB CYS 11 3.686 -1.109 -2.935
82 2HB CYS 11 1HB CYS 11 3.513 -1.632 -1.267
83 H SER 12 H SER 12 4.593 -1.993 -4.483
84 HA SER 12 HA SER 12 7.032 -0.681 -5.588
85 1HB SER 12 2HB SER 12 6.393 -2.187 -7.685
86 2HB SER 12 1HB SER 12 7.434 -2.808 -6.408
87 HG SER 12 HG SER 12 4.735 -3.335 -6.961
88 H SER 13 H SER 13 3.916 -0.179 -4.968
89 HA SER 13 HA SER 13 3.548 1.904 -6.854
90 1HB SER 13 2HB SER 13 3.217 0.334 -8.594
91 2HB SER 13 1HB SER 13 2.323 -0.765 -7.551
92 HG SER 13 HG SER 13 1.056 0.569 -9.056
93 H ASN 14 H ASN 14 1.249 2.764 -6.689
94 HA ASN 14 HA ASN 14 0.417 2.918 -3.979
95 1HB ASN 14 2HB ASN 14 -0.770 3.713 -6.604
96 2HB ASN 14 1HB ASN 14 -1.809 3.734 -5.180
97 1HD2 ASN 14 1HD2 ASN 14 -1.885 6.098 -5.145
98 2HD2 ASN 14 2HD2 ASN 14 -0.535 7.015 -4.680
99 H ARG 15 H ARG 15 -0.888 0.963 -6.665
100 HA ARG 15 HA ARG 15 -3.022 -0.167 -5.091
101 1HB ARG 15 2HB ARG 15 -2.062 -0.339 -7.801
102 2HB ARG 15 1HB ARG 15 -2.416 -1.954 -7.192
103 1HG ARG 15 2HG ARG 15 -4.650 -1.054 -6.400
104 2HG ARG 15 1HG ARG 15 -4.289 0.424 -7.292
105 1HD ARG 15 2HD ARG 15 -5.534 -0.860 -8.831
106 2HD ARG 15 1HD ARG 15 -3.861 -1.145 -9.310
107 HE ARG 15 HE ARG 15 -4.509 -3.156 -7.448
108 1HH1 ARG 15 1HH2 ARG 15 -5.572 -2.101 -10.608
109 2HH1 ARG 15 2HH2 ARG 15 -6.059 -3.690 -11.085
110 1HH2 ARG 15 1HH1 ARG 15 -5.151 -5.195 -8.106
111 2HH2 ARG 15 2HH1 ARG 15 -5.824 -5.424 -9.685
112 H ASP 16 H ASP 16 0.304 -0.757 -5.016
113 HA ASP 16 HA ASP 16 0.136 -3.601 -4.365
114 1HB ASP 16 2HB ASP 16 2.231 -1.585 -4.776
115 2HB ASP 16 1HB ASP 16 2.599 -2.708 -3.468
116 H CYS 17 H CYS 17 -0.761 -0.872 -2.666
117 HA CYS 17 HA CYS 17 0.141 -1.969 -0.049
118 1HB CYS 17 2HB CYS 17 -0.969 0.739 -0.829
119 2HB CYS 17 1HB CYS 17 -0.577 0.266 0.824
120 H CYS 18 H CYS 18 -1.678 -1.243 1.713
121 HA CYS 18 HA CYS 18 -4.098 -2.718 0.890
122 1HB CYS 18 2HB CYS 18 -2.794 -2.006 3.496
123 2HB CYS 18 1HB CYS 18 -4.478 -2.483 3.458
124 H GLU 19 H GLU 19 -6.060 -1.776 2.418
125 HA GLU 19 HA GLU 19 -6.852 0.677 1.197
126 1HB GLU 19 2HB GLU 19 -8.158 -1.295 2.519
127 2HB GLU 19 1HB GLU 19 -8.114 -0.062 3.774
128 1HG GLU 19 2HG GLU 19 -8.888 0.802 1.023
129 2HG GLU 19 1HG GLU 19 -10.068 -0.126 1.950
130 H LEU 20 H LEU 20 -5.753 -0.048 4.488
131 HA LEU 20 HA LEU 20 -5.902 2.578 5.543
132 1HB LEU 20 2HB LEU 20 -4.171 1.812 7.174
133 2HB LEU 20 1HB LEU 20 -5.508 0.676 7.002
134 HG LEU 20 HG LEU 20 -3.336 0.183 5.081
135 1HD1 LEU 20 1HD1 LEU 20 -2.680 -0.555 7.915
136 2HD1 LEU 20 2HD1 LEU 20 -2.245 1.049 7.325
137 3HD1 LEU 20 3HD1 LEU 20 -1.604 -0.388 6.527
138 1HD2 LEU 20 1HD2 LEU 20 -4.767 -1.614 5.222
139 2HD2 LEU 20 2HD2 LEU 20 -5.153 -1.307 6.915
140 3HD2 LEU 20 3HD2 LEU 20 -3.638 -2.100 6.486
141 H THR 21 H THR 21 -3.671 1.222 3.270
142 HA THR 21 HA THR 21 -2.112 3.769 3.345
143 HB THR 21 HB THR 21 -0.162 2.306 2.526
144 HG1 THR 21 1HG THR 21 -1.779 0.304 3.710
145 1HG2 THR 21 1HG2 THR 21 -0.154 3.256 4.753
146 2HG2 THR 21 2HG2 THR 21 0.376 1.578 4.866
147 3HG2 THR 21 3HG2 THR 21 -1.268 2.015 5.330
148 HA PRO 22 HA PRO 22 -3.668 3.178 -0.920
149 1HB PRO 22 2HB PRO 22 -4.527 5.746 -1.255
150 2HB PRO 22 1HB PRO 22 -5.491 4.492 -0.462
151 1HG PRO 22 2HG PRO 22 -4.193 6.841 0.705
152 2HG PRO 22 1HG PRO 22 -5.457 5.804 1.380
153 1HD PRO 22 2HD PRO 22 -2.613 5.772 1.947
154 2HD PRO 22 1HD PRO 22 -3.900 4.812 2.710
155 H VAL 23 H VAL 23 -0.951 4.529 0.306
156 HA VAL 23 HA VAL 23 -0.117 5.562 -2.376
157 HB VAL 23 HB VAL 23 0.804 6.664 0.296
158 1HG1 VAL 23 1HG1 VAL 23 1.238 7.590 -2.562
159 2HG1 VAL 23 2HG1 VAL 23 2.456 6.854 -1.521
160 3HG1 VAL 23 3HG1 VAL 23 1.795 8.440 -1.120
161 1HG2 VAL 23 1HG2 VAL 23 -0.470 8.724 -0.812
162 2HG2 VAL 23 2HG2 VAL 23 -1.323 7.550 0.190
163 3HG2 VAL 23 3HG2 VAL 23 -1.398 7.430 -1.568
164 H CYS 24 H CYS 24 2.049 5.189 -2.915
165 HA CYS 24 HA CYS 24 3.574 3.362 -1.129
166 1HB CYS 24 2HB CYS 24 2.416 1.968 -2.795
167 2HB CYS 24 1HB CYS 24 3.060 2.965 -4.096
168 H LYS 25 H LYS 25 4.958 5.103 -0.640
169 HA LYS 25 HA LYS 25 6.505 6.188 -2.968
170 1HB LYS 25 2HB LYS 25 5.204 7.887 -1.718
171 2HB LYS 25 1HB LYS 25 6.112 7.488 -0.265
172 1HG LYS 25 2HG LYS 25 8.198 8.147 -1.368
173 2HG LYS 25 1HG LYS 25 7.325 8.471 -2.866
174 1HD LYS 25 2HD LYS 25 6.836 9.893 -0.230
175 2HD LYS 25 1HD LYS 25 7.765 10.552 -1.576
176 1HE LYS 25 2HE LYS 25 5.761 11.445 -2.203
177 2HE LYS 25 1HE LYS 25 5.458 9.834 -2.851
178 1HZ LYS 25 1HZ LYS 25 4.646 9.344 -0.470
179 2HZ LYS 25 2HZ LYS 25 3.628 10.200 -1.527
180 3HZ LYS 25 3HZ LYS 25 4.508 11.029 -0.334
181 H ARG 26 H ARG 26 8.701 6.252 -2.817
182 HA ARG 26 HA ARG 26 10.835 5.485 -2.190
183 1HB ARG 26 2HB ARG 26 10.036 6.887 -0.111
184 2HB ARG 26 1HB ARG 26 9.889 5.306 0.656
185 1HG ARG 26 2HG ARG 26 12.218 4.808 0.212
186 2HG ARG 26 1HG ARG 26 12.393 6.283 -0.739
187 1HD ARG 26 2HD ARG 26 12.563 7.608 1.110
188 2HD ARG 26 1HD ARG 26 11.364 6.678 2.009
189 HE ARG 26 HE ARG 26 13.819 5.183 1.668
190 1HH1 ARG 26 1HH2 ARG 26 12.295 7.714 3.541
191 2HH1 ARG 26 2HH2 ARG 26 13.305 7.442 4.917
192 1HH2 ARG 26 1HH1 ARG 26 15.104 4.866 3.472
193 2HH2 ARG 26 2HH1 ARG 26 14.879 5.848 4.881
194 H GLY 27 H GLY 27 8.596 3.581 -2.771
195 1HA GLY 27 2HA GLY 27 8.288 1.257 -2.795
196 2HA GLY 27 1HA GLY 27 9.941 1.124 -2.189
197 H SER 28 H SER 28 7.424 2.921 -0.512
198 HA SER 28 HA SER 28 7.133 0.739 1.467
199 1HB SER 28 2HB SER 28 8.018 3.572 2.077
200 2HB SER 28 1HB SER 28 7.435 2.447 3.301
201 HG SER 28 HG SER 28 9.422 1.769 3.328
202 H CYS 29 H CYS 29 5.062 0.561 2.073
203 HA CYS 29 HA CYS 29 3.003 2.182 0.909
204 1HB CYS 29 2HB CYS 29 2.998 0.116 3.118
205 2HB CYS 29 1HB CYS 29 1.526 0.928 2.587
206 H VAL 30 H VAL 30 1.778 3.834 1.792
207 HA VAL 30 HA VAL 30 2.193 4.642 4.596
208 HB VAL 30 HB VAL 30 2.708 7.007 3.877
209 1HG1 VAL 30 1HG1 VAL 30 5.081 6.576 3.547
210 2HG1 VAL 30 2HG1 VAL 30 4.740 4.932 3.007
211 3HG1 VAL 30 3HG1 VAL 30 4.437 5.389 4.682
212 1HG2 VAL 30 1HG2 VAL 30 2.311 5.789 1.271
213 2HG2 VAL 30 2HG2 VAL 30 3.922 6.499 1.372
214 3HG2 VAL 30 3HG2 VAL 30 2.500 7.493 1.681
215 H SER 31 H SER 31 0.676 6.444 5.172
216 HA SER 31 HA SER 31 -1.898 6.057 3.767
217 1HB SER 31 2HB SER 31 -1.368 7.635 6.295
218 2HB SER 31 1HB SER 31 -2.917 7.024 5.719
219 HG SER 31 HG SER 31 -2.012 5.673 7.322
220 H SER 32 H SER 32 -0.128 7.511 2.211
221 HA SER 32 HA SER 32 0.029 9.512 1.000
222 1HB SER 32 2HB SER 32 -2.501 9.181 1.020
223 2HB SER 32 1HB SER 32 -2.548 10.302 2.377
224 HG SER 32 HG SER 32 -2.302 11.870 1.009
Start of MODEL 19
1 1H LEU 1 1HT LEU 1 -16.268 -6.155 -3.366
2 2H LEU 1 2HT LEU 1 -15.246 -7.105 -2.395
3 3H LEU 1 3HT LEU 1 -15.106 -7.159 -4.087
4 HA LEU 1 HA LEU 1 -14.104 -5.103 -4.230
5 1HB LEU 1 2HB LEU 1 -15.908 -4.070 -2.749
6 2HB LEU 1 1HB LEU 1 -14.909 -4.527 -1.369
7 HG LEU 1 HG LEU 1 -13.568 -3.069 -3.598
8 1HD1 LEU 1 1HD1 LEU 1 -15.245 -1.498 -3.533
9 2HD1 LEU 1 2HD1 LEU 1 -14.344 -0.962 -2.114
10 3HD1 LEU 1 3HD1 LEU 1 -15.772 -1.977 -1.919
11 1HD2 LEU 1 1HD2 LEU 1 -12.618 -1.945 -1.428
12 2HD2 LEU 1 2HD2 LEU 1 -12.129 -3.593 -1.820
13 3HD2 LEU 1 3HD2 LEU 1 -13.373 -3.308 -0.604
14 H LEU 2 H LEU 2 -11.912 -5.119 -3.992
15 HA LEU 2 HA LEU 2 -10.751 -6.362 -1.543
16 1HB LEU 2 2HB LEU 2 -9.079 -7.524 -2.993
17 2HB LEU 2 1HB LEU 2 -10.723 -8.106 -3.244
18 HG LEU 2 HG LEU 2 -10.418 -5.932 -5.028
19 1HD1 LEU 2 1HD1 LEU 2 -8.398 -6.221 -6.167
20 2HD1 LEU 2 2HD1 LEU 2 -8.149 -7.840 -5.516
21 3HD1 LEU 2 3HD1 LEU 2 -7.901 -6.429 -4.488
22 1HD2 LEU 2 1HD2 LEU 2 -11.604 -8.245 -5.200
23 2HD2 LEU 2 2HD2 LEU 2 -10.056 -8.820 -5.819
24 3HD2 LEU 2 3HD2 LEU 2 -10.928 -7.544 -6.669
25 H ALA 3 H ALA 3 -9.416 -4.871 -0.656
26 HA ALA 3 HA ALA 3 -7.661 -3.275 -2.447
27 1HB ALA 3 1HB ALA 3 -9.058 -1.923 -0.148
28 2HB ALA 3 2HB ALA 3 -9.845 -2.037 -1.722
29 3HB ALA 3 3HB ALA 3 -8.303 -1.195 -1.565
30 H CYS 4 H CYS 4 -6.897 -5.487 -0.902
31 HA CYS 4 HA CYS 4 -4.738 -4.406 0.619
32 1HB CYS 4 2HB CYS 4 -6.533 -3.876 2.236
33 2HB CYS 4 1HB CYS 4 -7.003 -5.572 2.263
34 H LEU 5 H LEU 5 -3.558 -5.925 -0.542
35 HA LEU 5 HA LEU 5 -3.996 -8.770 0.273
36 1HB LEU 5 2HB LEU 5 -3.095 -9.404 -1.985
37 2HB LEU 5 1HB LEU 5 -4.643 -8.563 -2.065
38 HG LEU 5 HG LEU 5 -2.216 -6.848 -2.135
39 1HD1 LEU 5 1HD1 LEU 5 -3.077 -8.473 -4.546
40 2HD1 LEU 5 2HD1 LEU 5 -1.630 -8.806 -3.593
41 3HD1 LEU 5 3HD1 LEU 5 -1.772 -7.289 -4.482
42 1HD2 LEU 5 1HD2 LEU 5 -4.773 -6.934 -3.771
43 2HD2 LEU 5 2HD2 LEU 5 -3.596 -5.620 -3.754
44 3HD2 LEU 5 3HD2 LEU 5 -4.541 -5.976 -2.308
45 H PHE 6 H PHE 6 -2.238 -6.583 1.348
46 HA PHE 6 HA PHE 6 0.368 -7.993 0.957
47 1HB PHE 6 2HB PHE 6 -0.324 -5.199 0.484
48 2HB PHE 6 1HB PHE 6 0.984 -5.346 1.655
49 HD1 PHE 6 1HD PHE 6 -0.112 -6.378 -1.752
50 HD2 PHE 6 2HD PHE 6 3.177 -5.975 0.979
51 HE1 PHE 6 1HE PHE 6 1.476 -6.872 -3.592
52 HE2 PHE 6 2HE PHE 6 4.766 -6.469 -0.860
53 HZ PHE 6 HZ PHE 6 3.915 -6.918 -3.145
54 H GLY 7 H GLY 7 -0.559 -5.277 3.071
55 1HA GLY 7 2HA GLY 7 -0.898 -5.283 5.428
56 2HA GLY 7 1HA GLY 7 -0.589 -7.020 5.441
57 H ASN 8 H ASN 8 1.559 -4.706 3.890
58 HA ASN 8 HA ASN 8 3.483 -4.933 6.151
59 1HB ASN 8 2HB ASN 8 3.812 -5.999 3.385
60 2HB ASN 8 1HB ASN 8 5.208 -5.194 4.102
61 1HD2 ASN 8 1HD2 ASN 8 6.479 -7.054 4.597
62 2HD2 ASN 8 2HD2 ASN 8 5.972 -8.264 5.674
63 H GLY 9 H GLY 9 5.560 -3.524 5.343
64 1HA GLY 9 2HA GLY 9 4.392 -0.926 4.443
65 2HA GLY 9 1HA GLY 9 5.799 -1.071 5.495
66 H ARG 10 H ARG 10 5.583 -3.251 2.804
67 HA ARG 10 HA ARG 10 7.571 -1.590 1.305
68 1HB ARG 10 2HB ARG 10 7.512 -4.619 1.493
69 2HB ARG 10 1HB ARG 10 8.733 -3.637 0.681
70 1HG ARG 10 2HG ARG 10 8.970 -2.509 3.054
71 2HG ARG 10 1HG ARG 10 8.259 -4.021 3.618
72 1HD ARG 10 2HD ARG 10 10.106 -5.254 3.066
73 2HD ARG 10 1HD ARG 10 10.460 -4.278 1.640
74 HE ARG 10 HE ARG 10 10.992 -2.593 3.791
75 1HH1 ARG 10 1HH2 ARG 10 12.087 -5.746 2.748
76 2HH1 ARG 10 2HH2 ARG 10 13.645 -5.555 3.471
77 1HH2 ARG 10 1HH1 ARG 10 13.021 -2.388 4.710
78 2HH2 ARG 10 2HH1 ARG 10 14.171 -3.676 4.569
79 H CYS 11 H CYS 11 7.008 -1.236 -0.818
80 HA CYS 11 HA CYS 11 5.182 -3.131 -2.174
81 1HB CYS 11 2HB CYS 11 3.725 -1.178 -2.906
82 2HB CYS 11 1HB CYS 11 3.552 -1.660 -1.225
83 H SER 12 H SER 12 4.654 -2.104 -4.436
84 HA SER 12 HA SER 12 7.096 -0.802 -5.552
85 1HB SER 12 2HB SER 12 5.870 -3.403 -6.272
86 2HB SER 12 1HB SER 12 6.303 -2.367 -7.629
87 HG SER 12 HG SER 12 8.326 -2.754 -7.225
88 H SER 13 H SER 13 3.961 -0.311 -4.951
89 HA SER 13 HA SER 13 3.609 1.766 -6.852
90 1HB SER 13 2HB SER 13 3.278 0.192 -8.583
91 2HB SER 13 1HB SER 13 2.401 -0.914 -7.533
92 HG SER 13 HG SER 13 1.564 1.540 -8.660
93 H ASN 14 H ASN 14 1.317 2.640 -6.686
94 HA ASN 14 HA ASN 14 0.482 2.797 -3.978
95 1HB ASN 14 2HB ASN 14 -0.614 3.661 -6.604
96 2HB ASN 14 1HB ASN 14 -1.760 3.572 -5.266
97 1HD2 ASN 14 1HD2 ASN 14 -1.981 5.755 -4.652
98 2HD2 ASN 14 2HD2 ASN 14 -0.680 6.760 -4.229
99 H ARG 15 H ARG 15 -0.773 0.805 -6.653
100 HA ARG 15 HA ARG 15 -2.942 -0.296 -5.102
101 1HB ARG 15 2HB ARG 15 -1.869 -0.585 -7.786
102 2HB ARG 15 1HB ARG 15 -2.390 -2.132 -7.125
103 1HG ARG 15 2HG ARG 15 -4.363 -1.310 -8.086
104 2HG ARG 15 1HG ARG 15 -4.530 -0.811 -6.402
105 1HD ARG 15 2HD ARG 15 -3.095 1.076 -8.196
106 2HD ARG 15 1HD ARG 15 -4.830 0.904 -8.469
107 HE ARG 15 HE ARG 15 -3.590 2.216 -6.202
108 1HH1 ARG 15 1HH2 ARG 15 -6.358 0.324 -7.203
109 2HH1 ARG 15 2HH2 ARG 15 -7.368 0.956 -5.951
110 1HH2 ARG 15 1HH1 ARG 15 -4.934 3.006 -4.597
111 2HH2 ARG 15 2HH1 ARG 15 -6.573 2.457 -4.491
112 H ASP 16 H ASP 16 0.391 -0.904 -5.029
113 HA ASP 16 HA ASP 16 0.211 -3.720 -4.285
114 1HB ASP 16 2HB ASP 16 2.313 -1.728 -4.758
115 2HB ASP 16 1HB ASP 16 2.676 -2.802 -3.410
116 H CYS 17 H CYS 17 -0.669 -0.932 -2.660
117 HA CYS 17 HA CYS 17 0.241 -1.952 -0.018
118 1HB CYS 17 2HB CYS 17 -0.925 0.713 -0.863
119 2HB CYS 17 1HB CYS 17 -0.537 0.284 0.802
120 H CYS 18 H CYS 18 -1.642 -1.119 1.700
121 HA CYS 18 HA CYS 18 -4.040 -2.655 0.869
122 1HB CYS 18 2HB CYS 18 -2.579 -2.211 3.414
123 2HB CYS 18 1HB CYS 18 -4.312 -2.426 3.520
124 H GLU 19 H GLU 19 -5.953 -1.801 2.525
125 HA GLU 19 HA GLU 19 -6.817 0.687 1.435
126 1HB GLU 19 2HB GLU 19 -8.053 -1.328 2.741
127 2HB GLU 19 1HB GLU 19 -7.931 -0.159 4.052
128 1HG GLU 19 2HG GLU 19 -8.849 0.872 1.411
129 2HG GLU 19 1HG GLU 19 -9.979 -0.138 2.312
130 H LEU 20 H LEU 20 -5.577 -0.121 4.658
131 HA LEU 20 HA LEU 20 -5.691 2.467 5.796
132 1HB LEU 20 2HB LEU 20 -3.842 1.663 7.294
133 2HB LEU 20 1HB LEU 20 -5.207 0.554 7.192
134 HG LEU 20 HG LEU 20 -3.201 0.052 5.109
135 1HD1 LEU 20 1HD1 LEU 20 -1.863 0.896 7.180
136 2HD1 LEU 20 2HD1 LEU 20 -1.379 -0.624 6.429
137 3HD1 LEU 20 3HD1 LEU 20 -2.336 -0.637 7.911
138 1HD2 LEU 20 1HD2 LEU 20 -4.874 -1.429 7.081
139 2HD2 LEU 20 2HD2 LEU 20 -3.408 -2.236 6.523
140 3HD2 LEU 20 3HD2 LEU 20 -4.633 -1.732 5.361
141 H THR 21 H THR 21 -3.544 1.199 3.395
142 HA THR 21 HA THR 21 -2.049 3.781 3.428
143 HB THR 21 HB THR 21 -0.046 2.422 2.639
144 HG1 THR 21 1HG THR 21 -0.201 0.185 3.330
145 1HG2 THR 21 1HG2 THR 21 -0.182 3.284 4.924
146 2HG2 THR 21 2HG2 THR 21 0.528 1.670 4.936
147 3HG2 THR 21 3HG2 THR 21 -1.155 1.895 5.411
148 HA PRO 22 HA PRO 22 -3.657 3.090 -0.801
149 1HB PRO 22 2HB PRO 22 -4.556 5.639 -1.171
150 2HB PRO 22 1HB PRO 22 -5.491 4.388 -0.338
151 1HG PRO 22 2HG PRO 22 -4.200 6.774 0.762
152 2HG PRO 22 1HG PRO 22 -5.447 5.741 1.474
153 1HD PRO 22 2HD PRO 22 -2.600 5.747 2.010
154 2HD PRO 22 1HD PRO 22 -3.867 4.781 2.799
155 H VAL 23 H VAL 23 -0.933 4.473 0.350
156 HA VAL 23 HA VAL 23 -0.158 5.484 -2.359
157 HB VAL 23 HB VAL 23 0.784 6.631 0.286
158 1HG1 VAL 23 1HG1 VAL 23 1.368 7.190 -2.612
159 2HG1 VAL 23 2HG1 VAL 23 2.493 7.054 -1.261
160 3HG1 VAL 23 3HG1 VAL 23 1.483 8.490 -1.427
161 1HG2 VAL 23 1HG2 VAL 23 -0.521 8.665 -0.753
162 2HG2 VAL 23 2HG2 VAL 23 -1.397 7.427 0.148
163 3HG2 VAL 23 3HG2 VAL 23 -1.400 7.403 -1.615
164 H CYS 24 H CYS 24 2.011 5.129 -2.926
165 HA CYS 24 HA CYS 24 3.591 3.345 -1.146
166 1HB CYS 24 2HB CYS 24 2.399 1.901 -2.738
167 2HB CYS 24 1HB CYS 24 2.985 2.876 -4.080
168 H LYS 25 H LYS 25 4.973 5.131 -0.751
169 HA LYS 25 HA LYS 25 6.445 6.134 -3.163
170 1HB LYS 25 2HB LYS 25 5.231 7.891 -1.919
171 2HB LYS 25 1HB LYS 25 6.165 7.502 -0.479
172 1HG LYS 25 2HG LYS 25 8.079 8.471 -1.303
173 2HG LYS 25 1HG LYS 25 7.700 8.044 -2.971
174 1HD LYS 25 2HD LYS 25 7.511 10.451 -2.748
175 2HD LYS 25 1HD LYS 25 5.887 9.785 -2.935
176 1HE LYS 25 2HE LYS 25 5.649 11.271 -1.123
177 2HE LYS 25 1HE LYS 25 5.862 9.708 -0.335
178 1HZ LYS 25 1HZ LYS 25 8.296 10.254 -0.270
179 2HZ LYS 25 2HZ LYS 25 7.308 11.199 0.739
180 3HZ LYS 25 3HZ LYS 25 7.885 11.835 -0.727
181 H ARG 26 H ARG 26 8.638 6.167 -3.121
182 HA ARG 26 HA ARG 26 10.789 5.381 -2.588
183 1HB ARG 26 2HB ARG 26 10.091 6.878 -0.522
184 2HB ARG 26 1HB ARG 26 10.037 5.325 0.313
185 1HG ARG 26 2HG ARG 26 12.326 4.879 -0.144
186 2HG ARG 26 1HG ARG 26 12.413 6.156 -1.356
187 1HD ARG 26 2HD ARG 26 13.115 7.576 0.243
188 2HD ARG 26 1HD ARG 26 11.562 7.390 1.058
189 HE ARG 26 HE ARG 26 12.608 5.967 2.618
190 1HH1 ARG 26 1HH2 ARG 26 14.632 6.357 -0.208
191 2HH1 ARG 26 2HH2 ARG 26 15.966 5.525 0.510
192 1HH2 ARG 26 1HH1 ARG 26 14.361 4.896 3.507
193 2HH2 ARG 26 2HH1 ARG 26 15.817 4.706 2.589
194 H GLY 27 H GLY 27 8.487 3.480 -2.936
195 1HA GLY 27 2HA GLY 27 8.186 1.154 -2.857
196 2HA GLY 27 1HA GLY 27 9.856 1.040 -2.299
197 H SER 28 H SER 28 7.391 2.924 -0.639
198 HA SER 28 HA SER 28 7.172 0.848 1.464
199 1HB SER 28 2HB SER 28 7.994 3.729 1.936
200 2HB SER 28 1HB SER 28 7.558 2.590 3.208
201 HG SER 28 HG SER 28 9.717 2.393 3.044
202 H CYS 29 H CYS 29 5.098 0.646 2.033
203 HA CYS 29 HA CYS 29 3.022 2.257 0.892
204 1HB CYS 29 2HB CYS 29 3.040 0.207 3.117
205 2HB CYS 29 1HB CYS 29 1.562 1.000 2.571
206 H VAL 30 H VAL 30 1.751 3.867 1.814
207 HA VAL 30 HA VAL 30 2.225 4.690 4.602
208 HB VAL 30 HB VAL 30 2.703 7.045 3.927
209 1HG1 VAL 30 1HG1 VAL 30 4.706 5.150 2.683
210 2HG1 VAL 30 2HG1 VAL 30 4.493 5.292 4.428
211 3HG1 VAL 30 3HG1 VAL 30 5.024 6.687 3.489
212 1HG2 VAL 30 1HG2 VAL 30 1.950 7.378 1.761
213 2HG2 VAL 30 2HG2 VAL 30 2.476 5.782 1.222
214 3HG2 VAL 30 3HG2 VAL 30 3.657 7.074 1.439
215 H SER 31 H SER 31 0.607 6.287 5.301
216 HA SER 31 HA SER 31 -1.943 5.904 3.852
217 1HB SER 31 2HB SER 31 -2.839 7.085 5.970
218 2HB SER 31 1HB SER 31 -2.180 5.463 6.160
219 HG SER 31 HG SER 31 -1.331 7.815 7.201
220 H SER 32 H SER 32 -0.241 7.574 2.447
221 HA SER 32 HA SER 32 -0.173 9.680 1.423
222 1HB SER 32 2HB SER 32 -2.753 9.161 1.585
223 2HB SER 32 1HB SER 32 -2.731 10.426 2.810
224 HG SER 32 HG SER 32 -2.586 11.820 1.255
Start of MODEL 20
1 1H LEU 1 1HT LEU 1 -14.749 -6.026 -4.791
2 2H LEU 1 2HT LEU 1 -15.645 -6.591 -3.462
3 3H LEU 1 3HT LEU 1 -15.403 -7.591 -4.814
4 HA LEU 1 HA LEU 1 -13.907 -8.383 -3.211
5 1HB LEU 1 2HB LEU 1 -12.585 -6.506 -5.186
6 2HB LEU 1 1HB LEU 1 -11.669 -7.617 -4.167
7 HG LEU 1 HG LEU 1 -13.966 -8.653 -5.803
8 1HD1 LEU 1 1HD1 LEU 1 -12.725 -7.540 -7.499
9 2HD1 LEU 1 2HD1 LEU 1 -12.158 -9.208 -7.545
10 3HD1 LEU 1 3HD1 LEU 1 -11.182 -7.967 -6.759
11 1HD2 LEU 1 1HD2 LEU 1 -12.529 -9.895 -3.974
12 2HD2 LEU 1 2HD2 LEU 1 -11.337 -10.007 -5.269
13 3HD2 LEU 1 3HD2 LEU 1 -12.935 -10.724 -5.477
14 H LEU 2 H LEU 2 -11.609 -7.491 -2.176
15 HA LEU 2 HA LEU 2 -12.457 -5.248 -0.403
16 1HB LEU 2 2HB LEU 2 -10.289 -7.318 0.082
17 2HB LEU 2 1HB LEU 2 -10.938 -6.171 1.254
18 HG LEU 2 HG LEU 2 -12.659 -8.235 -0.134
19 1HD1 LEU 2 1HD1 LEU 2 -12.498 -9.318 2.239
20 2HD1 LEU 2 2HD1 LEU 2 -10.993 -8.408 2.367
21 3HD1 LEU 2 3HD1 LEU 2 -11.195 -9.604 1.086
22 1HD2 LEU 2 1HD2 LEU 2 -14.274 -7.675 1.538
23 2HD2 LEU 2 2HD2 LEU 2 -13.644 -6.135 0.952
24 3HD2 LEU 2 3HD2 LEU 2 -13.083 -6.789 2.490
25 H ALA 3 H ALA 3 -9.809 -4.697 0.573
26 HA ALA 3 HA ALA 3 -8.221 -3.950 -1.803
27 1HB ALA 3 1HB ALA 3 -10.053 -2.143 -1.023
28 2HB ALA 3 2HB ALA 3 -8.471 -1.669 -1.642
29 3HB ALA 3 3HB ALA 3 -8.759 -1.718 0.097
30 H CYS 4 H CYS 4 -7.033 -5.677 -0.432
31 HA CYS 4 HA CYS 4 -4.822 -4.469 0.877
32 1HB CYS 4 2HB CYS 4 -6.461 -4.075 2.699
33 2HB CYS 4 1HB CYS 4 -6.799 -5.801 2.755
34 H LEU 5 H LEU 5 -3.637 -5.901 -0.381
35 HA LEU 5 HA LEU 5 -3.907 -8.794 0.340
36 1HB LEU 5 2HB LEU 5 -3.067 -9.280 -1.973
37 2HB LEU 5 1HB LEU 5 -4.642 -8.487 -1.957
38 HG LEU 5 HG LEU 5 -2.278 -6.687 -2.014
39 1HD1 LEU 5 1HD1 LEU 5 -3.162 -8.059 -4.557
40 2HD1 LEU 5 2HD1 LEU 5 -1.805 -8.662 -3.604
41 3HD1 LEU 5 3HD1 LEU 5 -1.744 -7.042 -4.298
42 1HD2 LEU 5 1HD2 LEU 5 -5.092 -6.800 -2.989
43 2HD2 LEU 5 2HD2 LEU 5 -3.959 -5.847 -3.946
44 3HD2 LEU 5 3HD2 LEU 5 -4.214 -5.464 -2.244
45 H PHE 6 H PHE 6 -2.172 -6.631 1.488
46 HA PHE 6 HA PHE 6 0.459 -7.919 0.887
47 1HB PHE 6 2HB PHE 6 -0.327 -5.126 0.686
48 2HB PHE 6 1HB PHE 6 0.993 -5.319 1.837
49 HD1 PHE 6 1HD PHE 6 -0.079 -6.040 -1.654
50 HD2 PHE 6 2HD PHE 6 3.203 -5.859 1.113
51 HE1 PHE 6 1HE PHE 6 1.518 -6.314 -3.531
52 HE2 PHE 6 2HE PHE 6 4.800 -6.133 -0.765
53 HZ PHE 6 HZ PHE 6 3.958 -6.361 -3.086
54 H GLY 7 H GLY 7 -0.435 -5.454 3.299
55 1HA GLY 7 2HA GLY 7 -0.709 -5.734 5.654
56 2HA GLY 7 1HA GLY 7 -0.297 -7.440 5.473
57 H ASN 8 H ASN 8 1.665 -4.901 4.053
58 HA ASN 8 HA ASN 8 3.658 -5.121 6.241
59 1HB ASN 8 2HB ASN 8 4.110 -5.913 3.360
60 2HB ASN 8 1HB ASN 8 5.443 -5.448 4.418
61 1HD2 ASN 8 1HD2 ASN 8 5.561 -6.731 6.555
62 2HD2 ASN 8 2HD2 ASN 8 5.108 -8.365 6.511
63 H GLY 9 H GLY 9 5.697 -3.667 5.288
64 1HA GLY 9 2HA GLY 9 4.411 -1.094 4.474
65 2HA GLY 9 1HA GLY 9 5.844 -1.195 5.495
66 H ARG 10 H ARG 10 5.629 -3.358 2.782
67 HA ARG 10 HA ARG 10 7.554 -1.630 1.278
68 1HB ARG 10 2HB ARG 10 8.577 -3.784 0.467
69 2HB ARG 10 1HB ARG 10 8.782 -3.509 2.197
70 1HG ARG 10 2HG ARG 10 6.818 -4.954 2.648
71 2HG ARG 10 1HG ARG 10 6.660 -5.258 0.917
72 1HD ARG 10 2HD ARG 10 8.878 -6.282 0.858
73 2HD ARG 10 1HD ARG 10 9.124 -5.904 2.563
74 HE ARG 10 HE ARG 10 6.772 -7.410 2.483
75 1HH1 ARG 10 1HH2 ARG 10 10.098 -7.856 1.499
76 2HH1 ARG 10 2HH2 ARG 10 10.046 -9.566 1.741
77 1HH2 ARG 10 1HH1 ARG 10 6.749 -9.627 2.785
78 2HH2 ARG 10 2HH1 ARG 10 8.172 -10.561 2.462
79 H CYS 11 H CYS 11 6.978 -1.244 -0.827
80 HA CYS 11 HA CYS 11 5.123 -3.098 -2.202
81 1HB CYS 11 2HB CYS 11 3.681 -1.106 -2.877
82 2HB CYS 11 1HB CYS 11 3.510 -1.637 -1.211
83 H SER 12 H SER 12 4.575 -1.978 -4.437
84 HA SER 12 HA SER 12 7.032 -0.690 -5.534
85 1HB SER 12 2HB SER 12 5.473 -2.859 -6.955
86 2HB SER 12 1HB SER 12 6.991 -2.128 -7.465
87 HG SER 12 HG SER 12 6.509 -3.756 -5.188
88 H SER 13 H SER 13 3.910 -0.162 -4.904
89 HA SER 13 HA SER 13 3.576 1.968 -6.744
90 1HB SER 13 2HB SER 13 3.240 0.436 -8.518
91 2HB SER 13 1HB SER 13 2.320 -0.671 -7.502
92 HG SER 13 HG SER 13 0.605 0.393 -8.064
93 H ASN 14 H ASN 14 1.278 2.842 -6.572
94 HA ASN 14 HA ASN 14 0.436 2.945 -3.864
95 1HB ASN 14 2HB ASN 14 -0.731 3.804 -6.477
96 2HB ASN 14 1HB ASN 14 -1.782 3.794 -5.061
97 1HD2 ASN 14 1HD2 ASN 14 -1.872 6.119 -4.843
98 2HD2 ASN 14 2HD2 ASN 14 -0.515 7.036 -4.397
99 H ARG 15 H ARG 15 -0.831 1.031 -6.592
100 HA ARG 15 HA ARG 15 -2.987 -0.119 -5.054
101 1HB ARG 15 2HB ARG 15 -2.016 -0.238 -7.766
102 2HB ARG 15 1HB ARG 15 -2.381 -1.863 -7.189
103 1HG ARG 15 2HG ARG 15 -4.468 -1.201 -7.973
104 2HG ARG 15 1HG ARG 15 -4.580 -0.715 -6.283
105 1HD ARG 15 2HD ARG 15 -3.339 1.392 -7.834
106 2HD ARG 15 1HD ARG 15 -4.884 0.936 -8.551
107 HE ARG 15 HE ARG 15 -5.024 1.279 -5.657
108 1HH1 ARG 15 1HH2 ARG 15 -5.181 2.890 -8.759
109 2HH1 ARG 15 2HH2 ARG 15 -6.128 4.198 -8.143
110 1HH2 ARG 15 1HH1 ARG 15 -6.247 2.994 -4.904
111 2HH2 ARG 15 2HH1 ARG 15 -6.725 4.259 -5.985
112 H ASP 16 H ASP 16 0.340 -0.714 -4.989
113 HA ASP 16 HA ASP 16 0.160 -3.567 -4.372
114 1HB ASP 16 2HB ASP 16 2.266 -1.560 -4.775
115 2HB ASP 16 1HB ASP 16 2.632 -2.696 -3.479
116 H CYS 17 H CYS 17 -0.705 -0.840 -2.648
117 HA CYS 17 HA CYS 17 0.206 -1.946 -0.040
118 1HB CYS 17 2HB CYS 17 -0.943 0.746 -0.816
119 2HB CYS 17 1HB CYS 17 -0.573 0.275 0.842
120 H CYS 18 H CYS 18 -1.682 -1.159 1.704
121 HA CYS 18 HA CYS 18 -4.050 -2.716 0.858
122 1HB CYS 18 2HB CYS 18 -2.740 -2.056 3.462
123 2HB CYS 18 1HB CYS 18 -4.442 -2.461 3.450
124 H GLU 19 H GLU 19 -6.048 -1.830 2.366
125 HA GLU 19 HA GLU 19 -6.868 0.621 1.160
126 1HB GLU 19 2HB GLU 19 -8.150 -1.389 2.454
127 2HB GLU 19 1HB GLU 19 -8.150 -0.160 3.714
128 1HG GLU 19 2HG GLU 19 -9.394 1.353 2.421
129 2HG GLU 19 1HG GLU 19 -8.964 0.559 0.907
130 H LEU 20 H LEU 20 -5.792 -0.121 4.455
131 HA LEU 20 HA LEU 20 -5.992 2.498 5.531
132 1HB LEU 20 2HB LEU 20 -4.256 1.728 7.169
133 2HB LEU 20 1HB LEU 20 -5.605 0.607 6.993
134 HG LEU 20 HG LEU 20 -3.432 0.098 5.076
135 1HD1 LEU 20 1HD1 LEU 20 -1.829 0.624 6.676
136 2HD1 LEU 20 2HD1 LEU 20 -2.140 -1.067 7.068
137 3HD1 LEU 20 3HD1 LEU 20 -2.889 0.211 8.024
138 1HD2 LEU 20 1HD2 LEU 20 -4.109 -2.075 5.381
139 2HD2 LEU 20 2HD2 LEU 20 -5.543 -1.293 6.044
140 3HD2 LEU 20 3HD2 LEU 20 -4.283 -1.887 7.125
141 H THR 21 H THR 21 -3.716 1.181 3.281
142 HA THR 21 HA THR 21 -2.182 3.742 3.392
143 HB THR 21 HB THR 21 -0.224 2.240 2.561
144 HG1 THR 21 1HG THR 21 -1.804 0.323 3.921
145 1HG2 THR 21 1HG2 THR 21 -1.319 2.541 5.321
146 2HG2 THR 21 2HG2 THR 21 0.189 3.148 4.639
147 3HG2 THR 21 3HG2 THR 21 0.048 1.451 5.095
148 HA PRO 22 HA PRO 22 -3.638 3.138 -0.907
149 1HB PRO 22 2HB PRO 22 -4.509 5.699 -1.259
150 2HB PRO 22 1HB PRO 22 -5.479 4.439 -0.484
151 1HG PRO 22 2HG PRO 22 -4.227 6.799 0.705
152 2HG PRO 22 1HG PRO 22 -5.489 5.748 1.361
153 1HD PRO 22 2HD PRO 22 -2.649 5.747 1.966
154 2HD PRO 22 1HD PRO 22 -3.938 4.784 2.721
155 H VAL 23 H VAL 23 -0.941 4.457 0.355
156 HA VAL 23 HA VAL 23 -0.080 5.555 -2.292
157 HB VAL 23 HB VAL 23 0.779 6.588 0.426
158 1HG1 VAL 23 1HG1 VAL 23 1.664 8.474 -1.092
159 2HG1 VAL 23 2HG1 VAL 23 1.451 7.336 -2.424
160 3HG1 VAL 23 3HG1 VAL 23 2.559 6.954 -1.106
161 1HG2 VAL 23 1HG2 VAL 23 -0.437 8.680 -0.703
162 2HG2 VAL 23 2HG2 VAL 23 -1.323 7.504 0.269
163 3HG2 VAL 23 3HG2 VAL 23 -1.352 7.396 -1.491
164 H CYS 24 H CYS 24 2.126 5.245 -2.784
165 HA CYS 24 HA CYS 24 3.651 3.379 -1.050
166 1HB CYS 24 2HB CYS 24 2.450 1.987 -2.693
167 2HB CYS 24 1HB CYS 24 3.090 2.973 -4.004
168 H LYS 25 H LYS 25 5.030 5.158 -0.613
169 HA LYS 25 HA LYS 25 6.480 6.257 -2.994
170 1HB LYS 25 2HB LYS 25 5.337 7.919 -1.551
171 2HB LYS 25 1HB LYS 25 6.363 7.427 -0.211
172 1HG LYS 25 2HG LYS 25 7.499 9.287 -1.096
173 2HG LYS 25 1HG LYS 25 8.325 7.924 -1.850
174 1HD LYS 25 2HD LYS 25 7.887 9.418 -3.640
175 2HD LYS 25 1HD LYS 25 6.630 8.188 -3.773
176 1HE LYS 25 2HE LYS 25 5.102 9.677 -2.466
177 2HE LYS 25 1HE LYS 25 6.350 10.923 -2.494
178 1HZ LYS 25 1HZ LYS 25 5.097 11.470 -4.319
179 2HZ LYS 25 2HZ LYS 25 4.738 9.856 -4.709
180 3HZ LYS 25 3HZ LYS 25 6.281 10.489 -5.033
181 H ARG 26 H ARG 26 8.637 6.165 -3.089
182 HA ARG 26 HA ARG 26 10.784 5.283 -2.735
183 1HB ARG 26 2HB ARG 26 10.218 6.773 -0.584
184 2HB ARG 26 1HB ARG 26 10.327 5.201 0.208
185 1HG ARG 26 2HG ARG 26 12.573 4.997 -0.199
186 2HG ARG 26 1HG ARG 26 12.473 5.843 -1.744
187 1HD ARG 26 2HD ARG 26 11.970 7.950 -0.316
188 2HD ARG 26 1HD ARG 26 12.616 7.012 1.031
189 HE ARG 26 HE ARG 26 14.558 6.749 -0.912
190 1HH1 ARG 26 1HH2 ARG 26 12.925 9.480 0.544
191 2HH1 ARG 26 2HH2 ARG 26 14.279 10.532 0.328
192 1HH2 ARG 26 1HH1 ARG 26 16.286 8.147 -1.168
193 2HH2 ARG 26 2HH1 ARG 26 16.162 9.789 -0.629
194 H GLY 27 H GLY 27 8.426 3.447 -2.923
195 1HA GLY 27 2HA GLY 27 8.097 1.122 -2.847
196 2HA GLY 27 1HA GLY 27 9.780 0.975 -2.337
197 H SER 28 H SER 28 7.375 2.897 -0.626
198 HA SER 28 HA SER 28 7.203 0.838 1.505
199 1HB SER 28 2HB SER 28 8.164 3.688 1.830
200 2HB SER 28 1HB SER 28 7.532 2.749 3.179
201 HG SER 28 HG SER 28 9.771 2.505 3.047
202 H CYS 29 H CYS 29 5.113 0.600 2.012
203 HA CYS 29 HA CYS 29 3.034 2.218 0.921
204 1HB CYS 29 2HB CYS 29 3.083 0.169 3.146
205 2HB CYS 29 1HB CYS 29 1.597 0.980 2.653
206 H VAL 30 H VAL 30 1.793 3.844 1.815
207 HA VAL 30 HA VAL 30 2.238 4.693 4.598
208 HB VAL 30 HB VAL 30 2.721 7.050 3.885
209 1HG1 VAL 30 1HG1 VAL 30 5.071 6.671 3.487
210 2HG1 VAL 30 2HG1 VAL 30 4.754 5.063 2.837
211 3HG1 VAL 30 3HG1 VAL 30 4.500 5.387 4.552
212 1HG2 VAL 30 1HG2 VAL 30 2.542 5.728 1.217
213 2HG2 VAL 30 2HG2 VAL 30 3.807 6.938 1.422
214 3HG2 VAL 30 3HG2 VAL 30 2.120 7.374 1.688
215 H SER 31 H SER 31 0.668 6.436 5.192
216 HA SER 31 HA SER 31 -1.895 5.981 3.782
217 1HB SER 31 2HB SER 31 -2.730 7.386 5.814
218 2HB SER 31 1HB SER 31 -2.181 5.738 6.098
219 HG SER 31 HG SER 31 -0.889 8.187 6.620
220 H SER 32 H SER 32 -0.165 7.509 2.251
221 HA SER 32 HA SER 32 -0.063 9.530 1.066
222 1HB SER 32 2HB SER 32 -2.634 9.050 1.210
223 2HB SER 32 1HB SER 32 -2.637 10.365 2.382
224 HG SER 32 HG SER 32 -2.808 10.678 -0.127
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