Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641115 | 6ofa RC | 30597 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ALA 1 HA ALA 1 -15.903 1.819 1.938
2 HB1 ALA 1 HB1 ALA 1 -15.832 1.658 -0.489
3 HB2 ALA 1 HB2 ALA 1 -17.221 2.736 -0.616
4 HB3 ALA 1 HB3 ALA 1 -17.405 1.143 0.119
5 H SER 2 H SER 2 -14.032 2.622 0.452
6 HA SER 2 HA SER 2 -13.767 5.477 0.244
7 HB2 SER 2 HB2 SER 2 -13.536 5.083 2.732
8 HB3 SER 2 HB3 SER 2 -12.110 4.107 2.382
9 HG SER 2 HG SER 2 -11.849 6.461 2.889
10 HA PRO 3 HA PRO 3 -11.053 2.907 -2.585
11 HB2 PRO 3 HB2 PRO 3 -11.852 5.240 -4.269
12 HB3 PRO 3 HB3 PRO 3 -11.694 3.526 -4.716
13 HG2 PRO 3 HG2 PRO 3 -14.095 4.569 -4.385
14 HG3 PRO 3 HG3 PRO 3 -13.728 2.957 -3.731
15 HD2 PRO 3 HD2 PRO 3 -13.909 5.585 -2.256
16 HD3 PRO 3 HD3 PRO 3 -14.492 3.961 -1.772
17 H GLN 4 H GLN 4 -11.247 6.238 -1.594
18 HA GLN 4 HA GLN 4 -8.749 7.114 -2.588
19 HB2 GLN 4 HB2 GLN 4 -10.255 8.179 -0.191
20 HB3 GLN 4 HB3 GLN 4 -8.999 9.019 -1.089
21 HG2 GLN 4 HG2 GLN 4 -10.975 9.983 -1.873
22 HG3 GLN 4 HG3 GLN 4 -10.576 8.797 -3.113
23 HE21 GLN 4 HE21 GLN 4 -11.932 8.009 0.035
24 HE22 GLN 4 HE22 GLN 4 -13.472 7.477 -0.561
25 H GLN 5 H GLN 5 -9.767 5.779 0.520
26 HA GLN 5 HA GLN 5 -7.246 6.035 1.771
27 HB2 GLN 5 HB2 GLN 5 -9.605 4.264 2.353
28 HB3 GLN 5 HB3 GLN 5 -8.126 4.176 3.294
29 HG2 GLN 5 HG2 GLN 5 -9.529 6.798 2.939
30 HG3 GLN 5 HG3 GLN 5 -10.085 5.640 4.146
31 HE21 GLN 5 HE21 GLN 5 -6.700 5.916 3.328
32 HE22 GLN 5 HE22 GLN 5 -6.206 6.658 4.809
33 H ALA 6 H ALA 6 -8.726 3.519 -0.148
34 HA ALA 6 HA ALA 6 -6.721 1.569 0.129
35 HB1 ALA 6 HB1 ALA 6 -7.594 0.604 -1.934
36 HB2 ALA 6 HB2 ALA 6 -8.505 2.074 -2.253
37 HB3 ALA 6 HB3 ALA 6 -8.909 1.073 -0.858
38 H LYS 7 H LYS 7 -7.150 4.164 -2.257
39 HA LYS 7 HA LYS 7 -4.843 3.559 -3.763
40 HB2 LYS 7 HB2 LYS 7 -6.714 5.017 -4.546
41 HB3 LYS 7 HB3 LYS 7 -6.174 6.256 -3.424
42 HG2 LYS 7 HG2 LYS 7 -5.404 6.746 -5.664
43 HG3 LYS 7 HG3 LYS 7 -4.024 6.394 -4.593
44 HD2 LYS 7 HD2 LYS 7 -3.972 4.077 -5.466
45 HD3 LYS 7 HD3 LYS 7 -5.303 4.465 -6.561
46 HE2 LYS 7 HE2 LYS 7 -3.161 4.570 -7.740
47 HE3 LYS 7 HE3 LYS 7 -3.893 6.171 -7.637
48 HZ1 LYS 7 HZ1 LYS 7 -1.801 5.185 -5.785
49 HZ2 LYS 7 HZ2 LYS 7 -2.410 6.761 -5.886
50 HZ3 LYS 7 HZ3 LYS 7 -1.486 6.127 -7.152
51 H TYR 8 H TYR 8 -5.386 5.534 -0.922
52 HA TYR 8 HA TYR 8 -2.849 6.752 -0.780
53 HB2 TYR 8 HB2 TYR 8 -4.817 7.487 0.539
54 HB3 TYR 8 HB3 TYR 8 -4.723 5.994 1.473
55 HD1 TYR 8 HD1 TYR 8 -3.307 5.813 3.340
56 HD2 TYR 8 HD2 TYR 8 -2.912 9.124 0.699
57 HE1 TYR 8 HE1 TYR 8 -1.797 6.900 4.943
58 HE2 TYR 8 HE2 TYR 8 -1.399 10.223 2.294
59 HH TYR 8 HH TYR 8 -0.862 10.184 4.650
60 H CYS 9 H CYS 9 -4.108 3.716 0.529
61 HA CYS 9 HA CYS 9 -1.789 3.005 1.980
62 HB2 CYS 9 HB2 CYS 9 -4.037 1.980 2.325
63 HB3 CYS 9 HB3 CYS 9 -3.868 1.140 0.777
64 H TYR 10 H TYR 10 -2.908 2.074 -1.267
65 HA TYR 10 HA TYR 10 -0.653 0.459 -1.856
66 HB2 TYR 10 HB2 TYR 10 -2.772 1.738 -3.593
67 HB3 TYR 10 HB3 TYR 10 -1.439 0.806 -4.279
68 HD1 TYR 10 HD1 TYR 10 -1.195 -1.595 -3.657
69 HD2 TYR 10 HD2 TYR 10 -4.658 0.655 -2.657
70 HE1 TYR 10 HE1 TYR 10 -2.445 -3.672 -3.332
71 HE2 TYR 10 HE2 TYR 10 -5.919 -1.422 -2.326
72 HH TYR 10 HH TYR 10 -5.837 -3.771 -3.045
73 H GLU 11 H GLU 11 -1.191 3.879 -2.035
74 HA GLU 11 HA GLU 11 1.087 4.320 -3.726
75 HB2 GLU 11 HB2 GLU 11 -0.787 5.895 -3.818
76 HB3 GLU 11 HB3 GLU 11 -0.555 6.293 -2.104
77 HG2 GLU 11 HG2 GLU 11 1.599 7.270 -2.583
78 HG3 GLU 11 HG3 GLU 11 1.468 6.785 -4.289
79 H GLN 12 H GLN 12 0.373 4.882 -0.255
80 HA GLN 12 HA GLN 12 2.961 5.963 0.206
81 HB2 GLN 12 HB2 GLN 12 0.839 5.022 2.144
82 HB3 GLN 12 HB3 GLN 12 2.328 5.817 2.616
83 HG2 GLN 12 HG2 GLN 12 0.552 7.113 0.621
84 HG3 GLN 12 HG3 GLN 12 0.143 7.172 2.328
85 HE21 GLN 12 HE21 GLN 12 3.452 7.102 1.319
86 HE22 GLN 12 HE22 GLN 12 3.820 8.751 1.700
87 H CYS 13 H CYS 13 1.732 2.739 0.148
88 HA CYS 13 HA CYS 13 3.481 1.527 1.973
89 HB2 CYS 13 HB2 CYS 13 2.948 -0.570 0.842
90 HB3 CYS 13 HB3 CYS 13 1.482 0.410 0.962
91 H ASN 14 H ASN 14 3.833 1.912 -1.566
92 HA ASN 14 HA ASN 14 6.555 0.971 -1.451
93 HB2 ASN 14 HB2 ASN 14 6.650 1.428 -3.844
94 HB3 ASN 14 HB3 ASN 14 5.188 0.536 -3.454
95 HD21 ASN 14 HD21 ASN 14 3.142 1.676 -3.574
96 HD22 ASN 14 HD22 ASN 14 3.021 3.149 -4.473
97 H VAL 15 H VAL 15 4.971 4.092 -1.426
98 HA VAL 15 HA VAL 15 7.197 5.692 -2.026
99 HB VAL 15 HB VAL 15 4.830 6.313 -0.251
100 HG11 VAL 15 HG11 VAL 15 6.979 8.166 -1.291
101 HG12 VAL 15 HG12 VAL 15 6.689 7.737 0.395
102 HG13 VAL 15 HG13 VAL 15 5.494 8.683 -0.494
103 HG21 VAL 15 HG21 VAL 15 4.243 5.956 -2.594
104 HG22 VAL 15 HG22 VAL 15 5.472 7.117 -3.092
105 HG23 VAL 15 HG23 VAL 15 4.072 7.657 -2.165
106 H ASN 16 H ASN 16 6.050 4.343 1.069
107 HA ASN 16 HA ASN 16 8.196 5.508 2.568
108 HB2 ASN 16 HB2 ASN 16 6.459 3.090 3.211
109 HB3 ASN 16 HB3 ASN 16 7.555 3.892 4.342
110 HD21 ASN 16 HD21 ASN 16 6.892 6.558 3.337
111 HD22 ASN 16 HD22 ASN 16 5.317 6.911 3.961
112 H LYS 17 H LYS 17 7.675 1.999 2.313
113 HA LYS 17 HA LYS 17 9.481 1.400 0.356
114 HB2 LYS 17 HB2 LYS 17 11.197 2.344 1.928
115 HB3 LYS 17 HB3 LYS 17 10.829 1.009 3.031
116 HG2 LYS 17 HG2 LYS 17 11.620 -0.613 1.471
117 HG3 LYS 17 HG3 LYS 17 11.736 0.592 0.185
118 HD2 LYS 17 HD2 LYS 17 13.508 1.756 1.359
119 HD3 LYS 17 HD3 LYS 17 13.386 0.639 2.736
120 HE2 LYS 17 HE2 LYS 17 14.064 -1.211 1.293
121 HE3 LYS 17 HE3 LYS 17 14.112 -0.134 -0.102
122 HZ1 LYS 17 HZ1 LYS 17 15.892 1.100 0.946
123 HZ2 LYS 17 HZ2 LYS 17 16.315 -0.529 0.817
124 HZ3 LYS 17 HZ3 LYS 17 15.831 0.099 2.308
125 H VAL 18 H VAL 18 7.639 -0.104 0.077
126 HA VAL 18 HA VAL 18 8.289 -2.590 1.483
127 HB VAL 18 HB VAL 18 6.154 -3.182 2.145
128 HG11 VAL 18 HG11 VAL 18 6.875 -1.259 3.480
129 HG12 VAL 18 HG12 VAL 18 5.118 -1.372 3.367
130 HG13 VAL 18 HG13 VAL 18 5.990 -0.179 2.400
131 HG21 VAL 18 HG21 VAL 18 4.999 -1.170 0.223
132 HG22 VAL 18 HG22 VAL 18 4.072 -2.255 1.265
133 HG23 VAL 18 HG23 VAL 18 5.100 -2.917 -0.009
134 HA PRO 19 HA PRO 19 8.076 -4.341 -2.641
135 HB2 PRO 19 HB2 PRO 19 7.087 -6.760 -1.244
136 HB3 PRO 19 HB3 PRO 19 8.489 -6.575 -2.311
137 HG2 PRO 19 HG2 PRO 19 8.802 -6.882 0.323
138 HG3 PRO 19 HG3 PRO 19 9.856 -5.811 -0.622
139 HD2 PRO 19 HD2 PRO 19 7.578 -5.096 1.190
140 HD3 PRO 19 HD3 PRO 19 9.136 -4.276 0.933
141 H PHE 20 H PHE 20 6.460 -4.984 -4.171
142 HA PHE 20 HA PHE 20 3.930 -3.888 -3.770
143 HB2 PHE 20 HB2 PHE 20 4.995 -4.376 -6.001
144 HB3 PHE 20 HB3 PHE 20 4.556 -6.064 -5.775
145 HD1 PHE 20 HD1 PHE 20 3.324 -2.705 -6.468
146 HD2 PHE 20 HD2 PHE 20 2.238 -6.779 -5.891
147 HE1 PHE 20 HE1 PHE 20 1.105 -2.246 -7.429
148 HE2 PHE 20 HE2 PHE 20 0.019 -6.329 -6.855
149 HZ PHE 20 HZ PHE 20 -0.549 -4.059 -7.624
150 H ASP 21 H ASP 21 4.942 -7.286 -3.535
151 HA ASP 21 HA ASP 21 2.382 -8.362 -3.101
152 HB2 ASP 21 HB2 ASP 21 3.569 -10.324 -2.158
153 HB3 ASP 21 HB3 ASP 21 4.228 -9.813 -3.709
154 H GLN 22 H GLN 22 4.786 -7.081 -0.833
155 HA GLN 22 HA GLN 22 3.306 -7.677 1.507
156 HB2 GLN 22 HB2 GLN 22 5.714 -7.110 1.567
157 HB3 GLN 22 HB3 GLN 22 5.334 -5.466 1.063
158 HG2 GLN 22 HG2 GLN 22 3.962 -5.222 3.125
159 HG3 GLN 22 HG3 GLN 22 4.540 -6.812 3.634
160 HE21 GLN 22 HE21 GLN 22 4.882 -4.221 4.906
161 HE22 GLN 22 HE22 GLN 22 6.591 -3.978 5.055
162 H CYS 23 H CYS 23 3.367 -4.951 -0.721
163 HA CYS 23 HA CYS 23 1.705 -3.210 0.751
164 HB2 CYS 23 HB2 CYS 23 2.999 -2.520 -1.301
165 HB3 CYS 23 HB3 CYS 23 1.835 -3.419 -2.276
166 H TYR 24 H TYR 24 0.936 -5.634 -1.722
167 HA TYR 24 HA TYR 24 -1.854 -5.330 -1.631
168 HB2 TYR 24 HB2 TYR 24 -0.500 -6.640 -3.356
169 HB3 TYR 24 HB3 TYR 24 -0.413 -7.942 -2.158
170 HD1 TYR 24 HD1 TYR 24 -2.474 -9.123 -1.473
171 HD2 TYR 24 HD2 TYR 24 -2.496 -6.233 -4.586
172 HE1 TYR 24 HE1 TYR 24 -4.645 -9.974 -2.236
173 HE2 TYR 24 HE2 TYR 24 -4.669 -7.069 -5.356
174 HH TYR 24 HH TYR 24 -6.570 -9.229 -3.507
175 H GLN 25 H GLN 25 0.375 -7.099 0.415
176 HA GLN 25 HA GLN 25 -1.523 -8.779 1.656
177 HB2 GLN 25 HB2 GLN 25 0.919 -9.202 1.687
178 HB3 GLN 25 HB3 GLN 25 1.147 -7.763 2.674
179 HG2 GLN 25 HG2 GLN 25 -0.178 -8.805 4.468
180 HG3 GLN 25 HG3 GLN 25 -0.333 -10.260 3.486
181 HE21 GLN 25 HE21 GLN 25 0.892 -9.894 6.101
182 HE22 GLN 25 HE22 GLN 25 2.533 -10.418 5.939
183 H MET 26 H MET 26 -0.312 -5.557 2.388
184 HA MET 26 HA MET 26 -1.742 -5.447 4.899
185 HB2 MET 26 HB2 MET 26 0.381 -4.373 4.889
186 HB3 MET 26 HB3 MET 26 0.015 -3.519 3.400
187 HG2 MET 26 HG2 MET 26 -1.685 -2.193 4.608
188 HG3 MET 26 HG3 MET 26 -1.223 -3.007 6.102
189 HE1 MET 26 HE1 MET 26 1.647 -0.258 3.733
190 HE2 MET 26 HE2 MET 26 0.027 -0.686 3.181
191 HE3 MET 26 HE3 MET 26 1.298 -1.909 3.226
192 H CYS 27 H CYS 27 -2.016 -3.974 1.679
193 HA CYS 27 HA CYS 27 -4.149 -2.247 2.568
194 HB2 CYS 27 HB2 CYS 27 -3.120 -2.705 -0.251
195 HB3 CYS 27 HB3 CYS 27 -4.160 -1.376 0.298
196 H SER 28 H SER 28 -4.032 -5.424 1.188
197 HA SER 28 HA SER 28 -6.407 -5.380 -0.263
198 HB2 SER 28 HB2 SER 28 -6.463 -7.879 0.093
199 HB3 SER 28 HB3 SER 28 -4.982 -7.227 -0.621
200 HG SER 28 HG SER 28 -3.892 -7.735 1.127
201 HA PRO 29 HA PRO 29 -8.741 -6.871 3.838
202 HB2 PRO 29 HB2 PRO 29 -7.155 -5.124 5.666
203 HB3 PRO 29 HB3 PRO 29 -7.963 -6.669 6.008
204 HG2 PRO 29 HG2 PRO 29 -5.335 -6.624 5.708
205 HG3 PRO 29 HG3 PRO 29 -6.292 -7.927 4.957
206 HD2 PRO 29 HD2 PRO 29 -5.074 -5.489 3.681
207 HD3 PRO 29 HD3 PRO 29 -5.183 -7.156 3.062
208 H LEU 30 H LEU 30 -7.241 -3.710 3.528
209 HA LEU 30 HA LEU 30 -9.482 -2.162 4.339
210 HB2 LEU 30 HB2 LEU 30 -6.995 -1.482 4.204
211 HB3 LEU 30 HB3 LEU 30 -7.270 -1.292 2.465
212 HG LEU 30 HG LEU 30 -8.592 0.309 4.685
213 HD11 LEU 30 HD11 LEU 30 -6.262 0.888 4.358
214 HD12 LEU 30 HD12 LEU 30 -7.293 2.167 3.712
215 HD13 LEU 30 HD13 LEU 30 -6.514 1.023 2.617
216 HD21 LEU 30 HD21 LEU 30 -8.845 0.635 1.688
217 HD22 LEU 30 HD22 LEU 30 -9.558 1.678 2.921
218 HD23 LEU 30 HD23 LEU 30 -10.099 0.005 2.757
219 H GLU 31 H GLU 31 -8.057 -2.863 1.180
220 HA GLU 31 HA GLU 31 -10.016 -1.450 -0.286
221 HB2 GLU 31 HB2 GLU 31 -7.741 -1.854 -1.139
222 HB3 GLU 31 HB3 GLU 31 -8.087 -3.586 -1.225
223 HG2 GLU 31 HG2 GLU 31 -9.806 -3.165 -2.907
224 HG3 GLU 31 HG3 GLU 31 -9.475 -1.430 -2.825
225 H ARG 32 H ARG 32 -9.466 -4.979 -0.162
226 HA ARG 32 HA ARG 32 -12.328 -5.412 -0.194
227 HB2 ARG 32 HB2 ARG 32 -10.574 -6.092 -2.544
228 HB3 ARG 32 HB3 ARG 32 -11.984 -7.089 -2.181
229 HG2 ARG 32 HG2 ARG 32 -12.063 -4.095 -2.693
230 HG3 ARG 32 HG3 ARG 32 -12.395 -5.324 -3.913
231 HD2 ARG 32 HD2 ARG 32 -14.460 -4.401 -3.003
232 HD3 ARG 32 HD3 ARG 32 -14.324 -6.108 -2.598
233 HE ARG 32 HE ARG 32 -13.507 -4.066 -0.640
234 HH11 ARG 32 HH11 ARG 32 -15.695 -6.649 -1.581
235 HH12 ARG 32 HH12 ARG 32 -16.380 -6.813 0.003
236 HH21 ARG 32 HH21 ARG 32 -14.398 -4.301 1.441
237 HH22 ARG 32 HH22 ARG 32 -15.644 -5.478 1.723
238 H SER 33 H SER 33 -12.373 -6.631 1.576
239 HA SER 33 HA SER 33 -11.451 -9.358 1.232
240 HB2 SER 33 HB2 SER 33 -10.644 -7.736 3.674
241 HB3 SER 33 HB3 SER 33 -10.476 -9.485 3.527
242 HG SER 33 HG SER 33 -9.395 -8.026 1.443
Start of MODEL 2
1 HA ALA 1 HA ALA 1 -16.523 1.757 -1.546
2 HB1 ALA 1 HB1 ALA 1 -18.520 3.716 -2.667
3 HB2 ALA 1 HB2 ALA 1 -18.555 1.967 -2.884
4 HB3 ALA 1 HB3 ALA 1 -17.240 2.915 -3.576
5 H SER 2 H SER 2 -14.582 2.670 -1.449
6 HA SER 2 HA SER 2 -14.235 5.532 -1.602
7 HB2 SER 2 HB2 SER 2 -14.753 5.053 0.874
8 HB3 SER 2 HB3 SER 2 -13.217 4.187 0.917
9 HG SER 2 HG SER 2 -13.290 6.546 1.500
10 HA PRO 3 HA PRO 3 -10.979 2.620 -3.381
11 HB2 PRO 3 HB2 PRO 3 -11.137 4.671 -5.531
12 HB3 PRO 3 HB3 PRO 3 -11.062 2.899 -5.653
13 HG2 PRO 3 HG2 PRO 3 -13.341 4.196 -6.105
14 HG3 PRO 3 HG3 PRO 3 -13.320 2.639 -5.250
15 HD2 PRO 3 HD2 PRO 3 -13.664 5.406 -4.111
16 HD3 PRO 3 HD3 PRO 3 -14.446 3.869 -3.632
17 H GLN 4 H GLN 4 -11.159 6.094 -2.923
18 HA GLN 4 HA GLN 4 -8.477 6.709 -3.489
19 HB2 GLN 4 HB2 GLN 4 -10.210 8.421 -3.372
20 HB3 GLN 4 HB3 GLN 4 -10.408 8.119 -1.648
21 HG2 GLN 4 HG2 GLN 4 -9.075 10.117 -1.989
22 HG3 GLN 4 HG3 GLN 4 -8.085 8.842 -1.277
23 HE21 GLN 4 HE21 GLN 4 -9.015 8.934 -4.660
24 HE22 GLN 4 HE22 GLN 4 -7.423 9.227 -5.277
25 H GLN 5 H GLN 5 -10.058 5.624 -0.544
26 HA GLN 5 HA GLN 5 -7.872 6.105 1.193
27 HB2 GLN 5 HB2 GLN 5 -10.168 4.152 1.408
28 HB3 GLN 5 HB3 GLN 5 -8.972 4.373 2.672
29 HG2 GLN 5 HG2 GLN 5 -9.638 6.745 2.857
30 HG3 GLN 5 HG3 GLN 5 -10.885 6.470 1.642
31 HE21 GLN 5 HE21 GLN 5 -11.441 3.759 2.691
32 HE22 GLN 5 HE22 GLN 5 -12.348 4.009 4.145
33 H ALA 6 H ALA 6 -8.880 3.297 -0.665
34 HA ALA 6 HA ALA 6 -6.773 1.588 0.130
35 HB1 ALA 6 HB1 ALA 6 -8.386 1.592 -2.419
36 HB2 ALA 6 HB2 ALA 6 -8.773 0.714 -0.939
37 HB3 ALA 6 HB3 ALA 6 -7.338 0.284 -1.876
38 H LYS 7 H LYS 7 -7.135 3.921 -2.480
39 HA LYS 7 HA LYS 7 -4.724 3.339 -3.819
40 HB2 LYS 7 HB2 LYS 7 -6.606 4.670 -4.775
41 HB3 LYS 7 HB3 LYS 7 -6.184 5.988 -3.690
42 HG2 LYS 7 HG2 LYS 7 -5.324 6.401 -5.912
43 HG3 LYS 7 HG3 LYS 7 -3.987 6.169 -4.754
44 HD2 LYS 7 HD2 LYS 7 -3.666 3.887 -5.524
45 HD3 LYS 7 HD3 LYS 7 -5.081 3.998 -6.575
46 HE2 LYS 7 HE2 LYS 7 -2.538 5.610 -6.842
47 HE3 LYS 7 HE3 LYS 7 -3.008 4.252 -7.861
48 HZ1 LYS 7 HZ1 LYS 7 -3.513 6.297 -8.965
49 HZ2 LYS 7 HZ2 LYS 7 -4.398 6.864 -7.645
50 HZ3 LYS 7 HZ3 LYS 7 -4.970 5.550 -8.541
51 H TYR 8 H TYR 8 -5.511 5.445 -1.112
52 HA TYR 8 HA TYR 8 -3.031 6.737 -0.853
53 HB2 TYR 8 HB2 TYR 8 -5.035 7.484 0.357
54 HB3 TYR 8 HB3 TYR 8 -5.025 5.990 1.297
55 HD1 TYR 8 HD1 TYR 8 -3.255 9.171 0.717
56 HD2 TYR 8 HD2 TYR 8 -3.581 5.707 3.162
57 HE1 TYR 8 HE1 TYR 8 -1.803 10.227 2.399
58 HE2 TYR 8 HE2 TYR 8 -2.131 6.745 4.844
59 HH TYR 8 HH TYR 8 -1.370 10.018 4.861
60 H CYS 9 H CYS 9 -4.234 3.669 0.391
61 HA CYS 9 HA CYS 9 -2.022 3.041 2.027
62 HB2 CYS 9 HB2 CYS 9 -4.208 1.882 2.177
63 HB3 CYS 9 HB3 CYS 9 -3.913 1.126 0.606
64 H TYR 10 H TYR 10 -2.771 2.174 -1.330
65 HA TYR 10 HA TYR 10 -0.355 0.740 -1.768
66 HB2 TYR 10 HB2 TYR 10 -2.432 1.908 -3.629
67 HB3 TYR 10 HB3 TYR 10 -0.967 1.134 -4.240
68 HD1 TYR 10 HD1 TYR 10 -0.563 -1.259 -3.784
69 HD2 TYR 10 HD2 TYR 10 -4.261 0.600 -2.796
70 HE1 TYR 10 HE1 TYR 10 -1.628 -3.460 -3.644
71 HE2 TYR 10 HE2 TYR 10 -5.331 -1.598 -2.655
72 HH TYR 10 HH TYR 10 -3.561 -4.514 -2.614
73 H GLU 11 H GLU 11 -1.178 4.103 -1.901
74 HA GLU 11 HA GLU 11 1.018 4.968 -3.463
75 HB2 GLU 11 HB2 GLU 11 -1.035 6.339 -2.949
76 HB3 GLU 11 HB3 GLU 11 -0.409 6.516 -1.294
77 HG2 GLU 11 HG2 GLU 11 0.089 8.489 -2.583
78 HG3 GLU 11 HG3 GLU 11 1.590 7.622 -2.180
79 H GLN 12 H GLN 12 0.477 5.146 0.058
80 HA GLN 12 HA GLN 12 3.098 6.149 0.493
81 HB2 GLN 12 HB2 GLN 12 1.017 5.170 2.455
82 HB3 GLN 12 HB3 GLN 12 2.495 6.006 2.902
83 HG2 GLN 12 HG2 GLN 12 0.611 7.238 0.954
84 HG3 GLN 12 HG3 GLN 12 0.283 7.319 2.678
85 HE21 GLN 12 HE21 GLN 12 3.566 7.319 1.554
86 HE22 GLN 12 HE22 GLN 12 3.882 8.989 1.878
87 H CYS 13 H CYS 13 1.794 2.939 0.423
88 HA CYS 13 HA CYS 13 3.644 1.671 2.130
89 HB2 CYS 13 HB2 CYS 13 2.999 -0.409 1.021
90 HB3 CYS 13 HB3 CYS 13 1.558 0.589 1.248
91 H ASN 14 H ASN 14 3.705 2.079 -1.407
92 HA ASN 14 HA ASN 14 6.364 1.048 -1.652
93 HB2 ASN 14 HB2 ASN 14 4.668 1.018 -3.509
94 HB3 ASN 14 HB3 ASN 14 4.867 2.761 -3.661
95 HD21 ASN 14 HD21 ASN 14 7.501 0.526 -2.964
96 HD22 ASN 14 HD22 ASN 14 8.315 0.758 -4.474
97 H VAL 15 H VAL 15 5.034 4.212 -1.047
98 HA VAL 15 HA VAL 15 7.310 5.722 -1.788
99 HB VAL 15 HB VAL 15 5.060 6.358 0.128
100 HG11 VAL 15 HG11 VAL 15 7.022 7.634 0.800
101 HG12 VAL 15 HG12 VAL 15 5.838 8.696 0.038
102 HG13 VAL 15 HG13 VAL 15 7.262 8.175 -0.861
103 HG21 VAL 15 HG21 VAL 15 4.302 7.841 -1.671
104 HG22 VAL 15 HG22 VAL 15 4.416 6.173 -2.231
105 HG23 VAL 15 HG23 VAL 15 5.667 7.337 -2.667
106 H ASN 16 H ASN 16 6.323 4.148 1.231
107 HA ASN 16 HA ASN 16 8.520 5.225 2.730
108 HB2 ASN 16 HB2 ASN 16 6.779 2.796 3.280
109 HB3 ASN 16 HB3 ASN 16 7.927 3.507 4.421
110 HD21 ASN 16 HD21 ASN 16 5.116 3.169 4.871
111 HD22 ASN 16 HD22 ASN 16 4.444 4.753 5.060
112 H LYS 17 H LYS 17 7.902 1.778 2.244
113 HA LYS 17 HA LYS 17 9.869 1.170 0.438
114 HB2 LYS 17 HB2 LYS 17 11.592 0.083 1.926
115 HB3 LYS 17 HB3 LYS 17 11.604 1.852 1.913
116 HG2 LYS 17 HG2 LYS 17 10.377 1.856 4.044
117 HG3 LYS 17 HG3 LYS 17 10.402 0.087 4.054
118 HD2 LYS 17 HD2 LYS 17 12.930 0.217 3.946
119 HD3 LYS 17 HD3 LYS 17 12.765 1.971 4.180
120 HE2 LYS 17 HE2 LYS 17 13.212 0.926 6.311
121 HE3 LYS 17 HE3 LYS 17 11.563 1.548 6.297
122 HZ1 LYS 17 HZ1 LYS 17 12.366 -1.283 5.892
123 HZ2 LYS 17 HZ2 LYS 17 10.781 -0.704 5.805
124 HZ3 LYS 17 HZ3 LYS 17 11.621 -0.641 7.268
125 H VAL 18 H VAL 18 7.994 -0.201 -0.096
126 HA VAL 18 HA VAL 18 8.286 -2.771 1.244
127 HB VAL 18 HB VAL 18 6.088 -3.183 1.819
128 HG11 VAL 18 HG11 VAL 18 6.222 -0.197 2.229
129 HG12 VAL 18 HG12 VAL 18 6.924 -1.424 3.284
130 HG13 VAL 18 HG13 VAL 18 5.174 -1.330 3.086
131 HG21 VAL 18 HG21 VAL 18 5.166 -0.974 -0.010
132 HG22 VAL 18 HG22 VAL 18 4.128 -2.046 0.937
133 HG23 VAL 18 HG23 VAL 18 5.139 -2.706 -0.353
134 HA PRO 19 HA PRO 19 7.902 -4.252 -2.979
135 HB2 PRO 19 HB2 PRO 19 6.965 -6.738 -1.690
136 HB3 PRO 19 HB3 PRO 19 8.347 -6.487 -2.766
137 HG2 PRO 19 HG2 PRO 19 8.687 -6.963 -0.150
138 HG3 PRO 19 HG3 PRO 19 9.755 -5.874 -1.056
139 HD2 PRO 19 HD2 PRO 19 7.516 -5.191 0.821
140 HD3 PRO 19 HD3 PRO 19 9.099 -4.408 0.595
141 H PHE 20 H PHE 20 6.150 -4.846 -4.419
142 HA PHE 20 HA PHE 20 3.694 -3.695 -3.755
143 HB2 PHE 20 HB2 PHE 20 4.450 -4.035 -6.095
144 HB3 PHE 20 HB3 PHE 20 4.159 -5.761 -5.919
145 HD1 PHE 20 HD1 PHE 20 1.931 -6.662 -5.942
146 HD2 PHE 20 HD2 PHE 20 2.586 -2.464 -6.159
147 HE1 PHE 20 HE1 PHE 20 -0.415 -6.332 -6.606
148 HE2 PHE 20 HE2 PHE 20 0.243 -2.127 -6.824
149 HZ PHE 20 HZ PHE 20 -1.262 -4.064 -7.046
150 H ASP 21 H ASP 21 4.664 -7.108 -3.689
151 HA ASP 21 HA ASP 21 2.132 -8.174 -3.123
152 HB2 ASP 21 HB2 ASP 21 3.241 -10.176 -2.400
153 HB3 ASP 21 HB3 ASP 21 4.124 -9.540 -3.781
154 H GLN 22 H GLN 22 4.659 -6.954 -0.971
155 HA GLN 22 HA GLN 22 3.370 -7.501 1.471
156 HB2 GLN 22 HB2 GLN 22 5.719 -6.876 1.382
157 HB3 GLN 22 HB3 GLN 22 5.302 -5.291 0.737
158 HG2 GLN 22 HG2 GLN 22 5.762 -4.963 3.010
159 HG3 GLN 22 HG3 GLN 22 4.000 -4.903 2.858
160 HE21 GLN 22 HE21 GLN 22 3.674 -5.431 5.007
161 HE22 GLN 22 HE22 GLN 22 3.962 -7.024 5.625
162 H CYS 23 H CYS 23 3.240 -4.742 -0.738
163 HA CYS 23 HA CYS 23 1.590 -3.106 0.868
164 HB2 CYS 23 HB2 CYS 23 2.830 -2.340 -1.219
165 HB3 CYS 23 HB3 CYS 23 1.571 -3.142 -2.162
166 H TYR 24 H TYR 24 0.835 -5.484 -1.643
167 HA TYR 24 HA TYR 24 -1.945 -5.289 -1.563
168 HB2 TYR 24 HB2 TYR 24 -0.608 -6.643 -3.226
169 HB3 TYR 24 HB3 TYR 24 -0.371 -7.853 -1.955
170 HD1 TYR 24 HD1 TYR 24 -2.230 -9.232 -1.189
171 HD2 TYR 24 HD2 TYR 24 -2.751 -6.371 -4.286
172 HE1 TYR 24 HE1 TYR 24 -4.364 -10.281 -1.787
173 HE2 TYR 24 HE2 TYR 24 -4.886 -7.414 -4.894
174 HH TYR 24 HH TYR 24 -6.429 -9.743 -2.905
175 H GLN 25 H GLN 25 0.306 -6.942 0.569
176 HA GLN 25 HA GLN 25 -1.649 -8.602 1.825
177 HB2 GLN 25 HB2 GLN 25 1.134 -7.758 2.686
178 HB3 GLN 25 HB3 GLN 25 0.147 -8.881 3.608
179 HG2 GLN 25 HG2 GLN 25 0.182 -10.484 1.788
180 HG3 GLN 25 HG3 GLN 25 1.029 -9.346 0.745
181 HE21 GLN 25 HE21 GLN 25 1.777 -12.015 1.633
182 HE22 GLN 25 HE22 GLN 25 3.316 -11.838 2.408
183 H MET 26 H MET 26 -0.337 -5.416 2.498
184 HA MET 26 HA MET 26 -1.716 -5.261 5.031
185 HB2 MET 26 HB2 MET 26 0.424 -4.214 4.935
186 HB3 MET 26 HB3 MET 26 -0.003 -3.342 3.472
187 HG2 MET 26 HG2 MET 26 -1.581 -1.970 4.725
188 HG3 MET 26 HG3 MET 26 -1.199 -2.862 6.198
189 HE1 MET 26 HE1 MET 26 1.537 -1.926 3.486
190 HE2 MET 26 HE2 MET 26 1.933 -0.282 3.980
191 HE3 MET 26 HE3 MET 26 0.334 -0.645 3.332
192 H CYS 27 H CYS 27 -2.119 -3.969 1.765
193 HA CYS 27 HA CYS 27 -4.304 -2.270 2.604
194 HB2 CYS 27 HB2 CYS 27 -3.389 -2.868 -0.228
195 HB3 CYS 27 HB3 CYS 27 -4.417 -1.526 0.310
196 H SER 28 H SER 28 -4.040 -5.528 1.405
197 HA SER 28 HA SER 28 -6.543 -5.696 0.159
198 HB2 SER 28 HB2 SER 28 -6.380 -8.191 0.608
199 HB3 SER 28 HB3 SER 28 -5.059 -7.463 -0.314
200 HG SER 28 HG SER 28 -3.729 -7.691 1.372
201 HA PRO 29 HA PRO 29 -8.403 -7.056 4.512
202 HB2 PRO 29 HB2 PRO 29 -6.677 -5.260 6.151
203 HB3 PRO 29 HB3 PRO 29 -7.400 -6.825 6.576
204 HG2 PRO 29 HG2 PRO 29 -4.812 -6.696 6.022
205 HG3 PRO 29 HG3 PRO 29 -5.795 -8.043 5.390
206 HD2 PRO 29 HD2 PRO 29 -4.810 -5.580 3.964
207 HD3 PRO 29 HD3 PRO 29 -4.894 -7.264 3.388
208 H LEU 30 H LEU 30 -7.138 -3.998 3.499
209 HA LEU 30 HA LEU 30 -9.228 -2.424 4.741
210 HB2 LEU 30 HB2 LEU 30 -6.761 -1.730 4.314
211 HB3 LEU 30 HB3 LEU 30 -7.273 -1.490 2.635
212 HG LEU 30 HG LEU 30 -8.266 0.021 5.075
213 HD11 LEU 30 HD11 LEU 30 -6.615 0.851 2.689
214 HD12 LEU 30 HD12 LEU 30 -6.043 0.676 4.351
215 HD13 LEU 30 HD13 LEU 30 -7.210 1.937 3.945
216 HD21 LEU 30 HD21 LEU 30 -9.062 0.374 2.179
217 HD22 LEU 30 HD22 LEU 30 -9.555 1.397 3.529
218 HD23 LEU 30 HD23 LEU 30 -10.091 -0.284 3.454
219 H GLU 31 H GLU 31 -8.093 -2.904 1.414
220 HA GLU 31 HA GLU 31 -10.386 -1.725 0.235
221 HB2 GLU 31 HB2 GLU 31 -8.126 -1.857 -0.838
222 HB3 GLU 31 HB3 GLU 31 -8.381 -3.592 -1.061
223 HG2 GLU 31 HG2 GLU 31 -10.289 -3.144 -2.505
224 HG3 GLU 31 HG3 GLU 31 -10.085 -1.403 -2.268
225 H ARG 32 H ARG 32 -9.404 -5.077 0.717
226 HA ARG 32 HA ARG 32 -10.556 -7.040 0.745
227 HB2 ARG 32 HB2 ARG 32 -12.810 -5.111 1.311
228 HB3 ARG 32 HB3 ARG 32 -13.063 -6.857 1.267
229 HG2 ARG 32 HG2 ARG 32 -10.991 -5.595 3.075
230 HG3 ARG 32 HG3 ARG 32 -12.677 -5.730 3.562
231 HD2 ARG 32 HD2 ARG 32 -11.122 -7.555 4.358
232 HD3 ARG 32 HD3 ARG 32 -12.593 -8.095 3.565
233 HE ARG 32 HE ARG 32 -11.108 -8.371 1.533
234 HH11 ARG 32 HH11 ARG 32 -9.920 -8.705 4.811
235 HH12 ARG 32 HH12 ARG 32 -8.621 -9.762 4.365
236 HH21 ARG 32 HH21 ARG 32 -9.397 -9.779 0.946
237 HH22 ARG 32 HH22 ARG 32 -8.329 -10.377 2.178
238 H SER 33 H SER 33 -10.014 -7.375 -1.438
239 HA SER 33 HA SER 33 -12.329 -7.210 -3.254
240 HB2 SER 33 HB2 SER 33 -10.608 -7.523 -5.082
241 HB3 SER 33 HB3 SER 33 -10.424 -6.015 -4.182
242 HG SER 33 HG SER 33 -9.044 -8.314 -3.341
Start of MODEL 3
1 HA ALA 1 HA ALA 1 -16.325 2.146 0.936
2 HB1 ALA 1 HB1 ALA 1 -16.275 2.148 -1.505
3 HB2 ALA 1 HB2 ALA 1 -17.741 3.129 -1.538
4 HB3 ALA 1 HB3 ALA 1 -17.793 1.486 -0.900
5 H SER 2 H SER 2 -14.351 3.026 0.285
6 HA SER 2 HA SER 2 -14.200 5.846 -0.417
7 HB2 SER 2 HB2 SER 2 -14.343 5.671 2.164
8 HB3 SER 2 HB3 SER 2 -12.743 4.933 2.077
9 HG SER 2 HG SER 2 -12.343 7.055 2.321
10 HA PRO 3 HA PRO 3 -11.176 2.773 -2.335
11 HB2 PRO 3 HB2 PRO 3 -11.630 4.760 -4.518
12 HB3 PRO 3 HB3 PRO 3 -11.478 2.989 -4.614
13 HG2 PRO 3 HG2 PRO 3 -13.859 4.099 -4.811
14 HG3 PRO 3 HG3 PRO 3 -13.639 2.645 -3.814
15 HD2 PRO 3 HD2 PRO 3 -13.926 5.510 -2.915
16 HD3 PRO 3 HD3 PRO 3 -14.607 4.013 -2.202
17 H GLN 4 H GLN 4 -11.186 6.240 -1.944
18 HA GLN 4 HA GLN 4 -8.565 6.746 -2.879
19 HB2 GLN 4 HB2 GLN 4 -10.322 8.256 -0.955
20 HB3 GLN 4 HB3 GLN 4 -8.718 8.812 -1.415
21 HG2 GLN 4 HG2 GLN 4 -10.938 8.287 -3.388
22 HG3 GLN 4 HG3 GLN 4 -10.576 9.869 -2.702
23 HE21 GLN 4 HE21 GLN 4 -10.085 10.755 -4.718
24 HE22 GLN 4 HE22 GLN 4 -8.636 10.348 -5.577
25 H GLN 5 H GLN 5 -9.815 5.551 0.123
26 HA GLN 5 HA GLN 5 -7.457 5.959 1.660
27 HB2 GLN 5 HB2 GLN 5 -9.737 4.006 2.017
28 HB3 GLN 5 HB3 GLN 5 -8.417 4.179 3.163
29 HG2 GLN 5 HG2 GLN 5 -9.048 6.544 3.497
30 HG3 GLN 5 HG3 GLN 5 -10.413 6.311 2.406
31 HE21 GLN 5 HE21 GLN 5 -9.295 3.905 4.704
32 HE22 GLN 5 HE22 GLN 5 -10.688 3.976 5.729
33 H ALA 6 H ALA 6 -8.667 3.333 -0.320
34 HA ALA 6 HA ALA 6 -6.545 1.528 0.149
35 HB1 ALA 6 HB1 ALA 6 -7.287 0.410 -1.906
36 HB2 ALA 6 HB2 ALA 6 -8.339 1.775 -2.264
37 HB3 ALA 6 HB3 ALA 6 -8.643 0.781 -0.839
38 H LYS 7 H LYS 7 -7.097 4.027 -2.276
39 HA LYS 7 HA LYS 7 -4.764 3.577 -3.791
40 HB2 LYS 7 HB2 LYS 7 -6.604 4.902 -4.674
41 HB3 LYS 7 HB3 LYS 7 -6.407 6.091 -3.395
42 HG2 LYS 7 HG2 LYS 7 -5.500 6.935 -5.455
43 HG3 LYS 7 HG3 LYS 7 -4.194 6.670 -4.272
44 HD2 LYS 7 HD2 LYS 7 -3.782 4.437 -5.384
45 HD3 LYS 7 HD3 LYS 7 -4.911 4.931 -6.653
46 HE2 LYS 7 HE2 LYS 7 -2.564 5.366 -7.291
47 HE3 LYS 7 HE3 LYS 7 -3.505 6.855 -7.175
48 HZ1 LYS 7 HZ1 LYS 7 -2.559 7.261 -5.002
49 HZ2 LYS 7 HZ2 LYS 7 -1.320 7.065 -6.135
50 HZ3 LYS 7 HZ3 LYS 7 -1.698 5.808 -5.068
51 H TYR 8 H TYR 8 -5.400 5.497 -0.918
52 HA TYR 8 HA TYR 8 -2.867 6.758 -0.767
53 HB2 TYR 8 HB2 TYR 8 -4.890 7.525 0.466
54 HB3 TYR 8 HB3 TYR 8 -4.784 6.085 1.477
55 HD1 TYR 8 HD1 TYR 8 -3.423 6.050 3.386
56 HD2 TYR 8 HD2 TYR 8 -2.984 9.189 0.550
57 HE1 TYR 8 HE1 TYR 8 -1.971 7.254 4.957
58 HE2 TYR 8 HE2 TYR 8 -1.525 10.403 2.113
59 HH TYR 8 HH TYR 8 -0.188 8.977 4.875
60 H CYS 9 H CYS 9 -4.186 3.778 0.590
61 HA CYS 9 HA CYS 9 -2.015 3.023 2.179
62 HB2 CYS 9 HB2 CYS 9 -4.280 1.946 2.193
63 HB3 CYS 9 HB3 CYS 9 -3.875 1.156 0.664
64 H TYR 10 H TYR 10 -2.744 2.169 -1.200
65 HA TYR 10 HA TYR 10 -0.387 0.648 -1.589
66 HB2 TYR 10 HB2 TYR 10 -2.362 1.911 -3.492
67 HB3 TYR 10 HB3 TYR 10 -0.916 1.084 -4.075
68 HD1 TYR 10 HD1 TYR 10 -4.292 0.673 -2.897
69 HD2 TYR 10 HD2 TYR 10 -0.577 -1.331 -3.432
70 HE1 TYR 10 HE1 TYR 10 -5.444 -1.488 -2.776
71 HE2 TYR 10 HE2 TYR 10 -1.720 -3.494 -3.309
72 HH TYR 10 HH TYR 10 -5.031 -3.855 -3.581
73 H GLU 11 H GLU 11 -1.116 4.069 -2.035
74 HA GLU 11 HA GLU 11 1.185 4.728 -3.525
75 HB2 GLU 11 HB2 GLU 11 -0.905 6.162 -3.199
76 HB3 GLU 11 HB3 GLU 11 -0.224 6.583 -1.613
77 HG2 GLU 11 HG2 GLU 11 0.253 8.295 -3.277
78 HG3 GLU 11 HG3 GLU 11 1.739 7.527 -2.673
79 H GLN 12 H GLN 12 0.501 4.940 -0.036
80 HA GLN 12 HA GLN 12 3.015 6.006 0.650
81 HB2 GLN 12 HB2 GLN 12 1.019 4.506 2.350
82 HB3 GLN 12 HB3 GLN 12 2.460 5.286 2.970
83 HG2 GLN 12 HG2 GLN 12 0.274 6.676 1.473
84 HG3 GLN 12 HG3 GLN 12 0.443 6.641 3.221
85 HE21 GLN 12 HE21 GLN 12 2.272 7.696 4.164
86 HE22 GLN 12 HE22 GLN 12 3.075 8.983 3.320
87 H CYS 13 H CYS 13 2.021 2.796 -0.081
88 HA CYS 13 HA CYS 13 3.972 1.309 1.242
89 HB2 CYS 13 HB2 CYS 13 2.544 0.872 -1.384
90 HB3 CYS 13 HB3 CYS 13 3.713 -0.282 -0.754
91 H ASN 14 H ASN 14 4.121 2.740 -2.043
92 HA ASN 14 HA ASN 14 6.890 1.977 -2.282
93 HB2 ASN 14 HB2 ASN 14 6.737 3.348 -4.441
94 HB3 ASN 14 HB3 ASN 14 5.731 1.912 -4.326
95 HD21 ASN 14 HD21 ASN 14 5.689 5.453 -4.276
96 HD22 ASN 14 HD22 ASN 14 3.981 5.593 -4.560
97 H VAL 15 H VAL 15 5.097 4.815 -1.366
98 HA VAL 15 HA VAL 15 7.097 6.742 -1.537
99 HB VAL 15 HB VAL 15 4.853 6.471 0.467
100 HG11 VAL 15 HG11 VAL 15 6.696 8.828 0.041
101 HG12 VAL 15 HG12 VAL 15 6.656 7.790 1.466
102 HG13 VAL 15 HG13 VAL 15 5.270 8.809 1.079
103 HG21 VAL 15 HG21 VAL 15 3.820 8.273 -0.842
104 HG22 VAL 15 HG22 VAL 15 4.147 6.863 -1.851
105 HG23 VAL 15 HG23 VAL 15 5.203 8.272 -1.935
106 H ASN 16 H ASN 16 6.343 4.488 1.142
107 HA ASN 16 HA ASN 16 8.612 5.461 2.655
108 HB2 ASN 16 HB2 ASN 16 6.907 2.989 3.128
109 HB3 ASN 16 HB3 ASN 16 8.020 3.731 4.281
110 HD21 ASN 16 HD21 ASN 16 7.219 6.451 3.557
111 HD22 ASN 16 HD22 ASN 16 5.653 6.676 4.261
112 H LYS 17 H LYS 17 7.944 2.034 2.100
113 HA LYS 17 HA LYS 17 9.531 1.474 -0.033
114 HB2 LYS 17 HB2 LYS 17 11.462 2.285 1.295
115 HB3 LYS 17 HB3 LYS 17 11.128 1.027 2.497
116 HG2 LYS 17 HG2 LYS 17 11.597 -0.712 0.904
117 HG3 LYS 17 HG3 LYS 17 11.741 0.464 -0.405
118 HD2 LYS 17 HD2 LYS 17 13.699 1.449 0.622
119 HD3 LYS 17 HD3 LYS 17 13.561 0.365 2.023
120 HE2 LYS 17 HE2 LYS 17 15.266 -0.403 0.416
121 HE3 LYS 17 HE3 LYS 17 13.944 -1.562 0.566
122 HZ1 LYS 17 HZ1 LYS 17 14.138 0.453 -1.604
123 HZ2 LYS 17 HZ2 LYS 17 13.038 -0.828 -1.496
124 HZ3 LYS 17 HZ3 LYS 17 14.679 -1.142 -1.747
125 H VAL 18 H VAL 18 7.651 -0.025 -0.188
126 HA VAL 18 HA VAL 18 8.334 -2.486 1.268
127 HB VAL 18 HB VAL 18 6.259 -2.947 2.109
128 HG11 VAL 18 HG11 VAL 18 6.051 0.059 1.960
129 HG12 VAL 18 HG12 VAL 18 6.959 -0.858 3.158
130 HG13 VAL 18 HG13 VAL 18 5.203 -0.998 3.090
131 HG21 VAL 18 HG21 VAL 18 4.124 -2.044 1.165
132 HG22 VAL 18 HG22 VAL 18 5.064 -3.068 0.072
133 HG23 VAL 18 HG23 VAL 18 5.089 -1.316 -0.125
134 HA PRO 19 HA PRO 19 7.877 -4.387 -2.766
135 HB2 PRO 19 HB2 PRO 19 7.079 -6.803 -1.267
136 HB3 PRO 19 HB3 PRO 19 8.437 -6.573 -2.383
137 HG2 PRO 19 HG2 PRO 19 8.837 -6.817 0.256
138 HG3 PRO 19 HG3 PRO 19 9.830 -5.746 -0.749
139 HD2 PRO 19 HD2 PRO 19 7.575 -5.035 1.101
140 HD3 PRO 19 HD3 PRO 19 9.119 -4.198 0.800
141 H PHE 20 H PHE 20 6.159 -5.087 -4.127
142 HA PHE 20 HA PHE 20 3.656 -4.011 -3.484
143 HB2 PHE 20 HB2 PHE 20 4.495 -4.370 -5.813
144 HB3 PHE 20 HB3 PHE 20 4.179 -6.091 -5.617
145 HD1 PHE 20 HD1 PHE 20 2.656 -2.776 -5.935
146 HD2 PHE 20 HD2 PHE 20 1.943 -6.961 -5.658
147 HE1 PHE 20 HE1 PHE 20 0.327 -2.422 -6.645
148 HE2 PHE 20 HE2 PHE 20 -0.387 -6.616 -6.373
149 HZ PHE 20 HZ PHE 20 -1.197 -4.342 -6.865
150 H ASP 21 H ASP 21 4.776 -7.370 -3.357
151 HA ASP 21 HA ASP 21 2.277 -8.550 -2.834
152 HB2 ASP 21 HB2 ASP 21 3.474 -10.509 -2.131
153 HB3 ASP 21 HB3 ASP 21 4.344 -9.814 -3.491
154 H GLN 22 H GLN 22 4.713 -7.168 -0.689
155 HA GLN 22 HA GLN 22 3.418 -7.750 1.754
156 HB2 GLN 22 HB2 GLN 22 5.708 -7.057 1.807
157 HB3 GLN 22 HB3 GLN 22 5.342 -5.562 0.953
158 HG2 GLN 22 HG2 GLN 22 5.665 -4.965 3.193
159 HG3 GLN 22 HG3 GLN 22 3.916 -4.922 2.928
160 HE21 GLN 22 HE21 GLN 22 5.418 -5.178 5.399
161 HE22 GLN 22 HE22 GLN 22 4.899 -6.659 6.131
162 H CYS 23 H CYS 23 3.232 -5.006 -0.471
163 HA CYS 23 HA CYS 23 1.497 -3.427 1.100
164 HB2 CYS 23 HB2 CYS 23 2.789 -2.645 -0.955
165 HB3 CYS 23 HB3 CYS 23 1.536 -3.422 -1.923
166 H TYR 24 H TYR 24 0.884 -5.826 -1.414
167 HA TYR 24 HA TYR 24 -1.902 -5.573 -1.504
168 HB2 TYR 24 HB2 TYR 24 -0.387 -6.884 -3.096
169 HB3 TYR 24 HB3 TYR 24 -0.414 -8.179 -1.886
170 HD1 TYR 24 HD1 TYR 24 -2.335 -6.361 -4.397
171 HD2 TYR 24 HD2 TYR 24 -2.453 -9.441 -1.470
172 HE1 TYR 24 HE1 TYR 24 -4.444 -7.173 -5.350
173 HE2 TYR 24 HE2 TYR 24 -4.565 -10.262 -2.413
174 HH TYR 24 HH TYR 24 -5.733 -9.299 -5.435
175 H GLN 25 H GLN 25 0.201 -7.201 0.770
176 HA GLN 25 HA GLN 25 -1.835 -8.874 1.886
177 HB2 GLN 25 HB2 GLN 25 0.923 -8.077 2.811
178 HB3 GLN 25 HB3 GLN 25 -0.151 -9.018 3.839
179 HG2 GLN 25 HG2 GLN 25 0.872 -9.837 1.109
180 HG3 GLN 25 HG3 GLN 25 1.369 -10.495 2.665
181 HE21 GLN 25 HE21 GLN 25 -1.042 -10.469 0.208
182 HE22 GLN 25 HE22 GLN 25 -1.992 -11.778 0.829
183 H MET 26 H MET 26 -0.694 -5.637 2.489
184 HA MET 26 HA MET 26 -2.230 -5.434 4.941
185 HB2 MET 26 HB2 MET 26 -0.152 -4.344 5.096
186 HB3 MET 26 HB3 MET 26 -0.314 -3.635 3.499
187 HG2 MET 26 HG2 MET 26 -2.075 -2.148 4.332
188 HG3 MET 26 HG3 MET 26 -1.901 -2.853 5.938
189 HE1 MET 26 HE1 MET 26 1.532 -0.508 3.908
190 HE2 MET 26 HE2 MET 26 0.071 -1.020 3.064
191 HE3 MET 26 HE3 MET 26 1.247 -2.219 3.603
192 H CYS 27 H CYS 27 -2.243 -3.971 1.689
193 HA CYS 27 HA CYS 27 -4.474 -2.286 2.408
194 HB2 CYS 27 HB2 CYS 27 -3.199 -2.648 -0.322
195 HB3 CYS 27 HB3 CYS 27 -4.252 -1.320 0.204
196 H SER 28 H SER 28 -4.149 -5.389 0.828
197 HA SER 28 HA SER 28 -6.529 -5.274 -0.665
198 HB2 SER 28 HB2 SER 28 -4.815 -7.031 -1.037
199 HB3 SER 28 HB3 SER 28 -5.331 -7.804 0.470
200 HG SER 28 HG SER 28 -7.176 -8.409 -0.446
201 HA PRO 29 HA PRO 29 -8.774 -7.279 3.231
202 HB2 PRO 29 HB2 PRO 29 -7.057 -6.006 5.307
203 HB3 PRO 29 HB3 PRO 29 -7.906 -7.566 5.348
204 HG2 PRO 29 HG2 PRO 29 -5.287 -7.526 4.969
205 HG3 PRO 29 HG3 PRO 29 -6.310 -8.622 4.002
206 HD2 PRO 29 HD2 PRO 29 -5.075 -5.988 3.215
207 HD3 PRO 29 HD3 PRO 29 -5.211 -7.498 2.281
208 H LEU 30 H LEU 30 -7.386 -4.179 2.784
209 HA LEU 30 HA LEU 30 -9.462 -2.720 4.192
210 HB2 LEU 30 HB2 LEU 30 -7.009 -1.991 3.908
211 HB3 LEU 30 HB3 LEU 30 -7.428 -1.644 2.223
212 HG LEU 30 HG LEU 30 -8.544 -0.263 4.689
213 HD11 LEU 30 HD11 LEU 30 -6.275 0.389 4.196
214 HD12 LEU 30 HD12 LEU 30 -7.366 1.691 3.719
215 HD13 LEU 30 HD13 LEU 30 -6.677 0.626 2.495
216 HD21 LEU 30 HD21 LEU 30 -9.696 1.240 3.164
217 HD22 LEU 30 HD22 LEU 30 -10.239 -0.419 2.894
218 HD23 LEU 30 HD23 LEU 30 -9.100 0.330 1.774
219 H GLU 31 H GLU 31 -8.322 -3.010 0.860
220 HA GLU 31 HA GLU 31 -10.514 -1.612 -0.276
221 HB2 GLU 31 HB2 GLU 31 -8.254 -1.798 -1.320
222 HB3 GLU 31 HB3 GLU 31 -8.576 -3.508 -1.628
223 HG2 GLU 31 HG2 GLU 31 -10.537 -2.810 -3.007
224 HG3 GLU 31 HG3 GLU 31 -10.001 -1.135 -2.830
225 H ARG 32 H ARG 32 -9.957 -4.953 0.478
226 HA ARG 32 HA ARG 32 -12.455 -5.676 -0.919
227 HB2 ARG 32 HB2 ARG 32 -10.288 -7.662 -0.188
228 HB3 ARG 32 HB3 ARG 32 -11.616 -7.879 -1.327
229 HG2 ARG 32 HG2 ARG 32 -9.126 -6.191 -1.723
230 HG3 ARG 32 HG3 ARG 32 -9.531 -7.691 -2.547
231 HD2 ARG 32 HD2 ARG 32 -10.843 -4.993 -2.850
232 HD3 ARG 32 HD3 ARG 32 -9.947 -5.910 -4.054
233 HE ARG 32 HE ARG 32 -12.264 -7.301 -3.098
234 HH11 ARG 32 HH11 ARG 32 -11.119 -4.887 -5.350
235 HH12 ARG 32 HH12 ARG 32 -12.410 -5.138 -6.481
236 HH21 ARG 32 HH21 ARG 32 -13.975 -7.641 -4.580
237 HH22 ARG 32 HH22 ARG 32 -14.036 -6.709 -6.042
238 H SER 33 H SER 33 -13.823 -7.184 0.156
239 HA SER 33 HA SER 33 -13.367 -7.269 3.067
240 HB2 SER 33 HB2 SER 33 -15.950 -7.478 3.135
241 HB3 SER 33 HB3 SER 33 -15.268 -5.894 2.763
242 HG SER 33 HG SER 33 -16.062 -7.767 0.788
Start of MODEL 4
1 HA ALA 1 HA ALA 1 -16.784 0.827 2.466
2 HB1 ALA 1 HB1 ALA 1 -14.335 -0.816 1.846
3 HB2 ALA 1 HB2 ALA 1 -15.945 -1.464 2.150
4 HB3 ALA 1 HB3 ALA 1 -15.086 -0.603 3.427
5 H SER 2 H SER 2 -13.552 1.022 0.926
6 HA SER 2 HA SER 2 -13.271 3.752 1.890
7 HB2 SER 2 HB2 SER 2 -11.437 1.531 2.865
8 HB3 SER 2 HB3 SER 2 -11.156 3.249 3.126
9 HG SER 2 HG SER 2 -13.530 2.977 3.990
10 HA PRO 3 HA PRO 3 -11.210 2.358 -2.191
11 HB2 PRO 3 HB2 PRO 3 -12.621 4.751 -3.216
12 HB3 PRO 3 HB3 PRO 3 -12.503 3.120 -3.909
13 HG2 PRO 3 HG2 PRO 3 -14.768 3.999 -2.791
14 HG3 PRO 3 HG3 PRO 3 -14.243 2.310 -2.648
15 HD2 PRO 3 HD2 PRO 3 -14.112 4.497 -0.585
16 HD3 PRO 3 HD3 PRO 3 -14.445 2.752 -0.381
17 H GLN 4 H GLN 4 -11.861 5.765 -1.400
18 HA GLN 4 HA GLN 4 -9.595 6.836 -2.588
19 HB2 GLN 4 HB2 GLN 4 -10.050 8.858 -1.316
20 HB3 GLN 4 HB3 GLN 4 -11.550 8.168 -1.920
21 HG2 GLN 4 HG2 GLN 4 -10.545 7.701 0.878
22 HG3 GLN 4 HG3 GLN 4 -11.600 9.043 0.450
23 HE21 GLN 4 HE21 GLN 4 -13.151 7.525 -1.480
24 HE22 GLN 4 HE22 GLN 4 -14.159 6.460 -0.556
25 H GLN 5 H GLN 5 -10.024 5.517 0.614
26 HA GLN 5 HA GLN 5 -7.491 6.460 1.583
27 HB2 GLN 5 HB2 GLN 5 -9.259 4.296 2.720
28 HB3 GLN 5 HB3 GLN 5 -7.916 5.060 3.543
29 HG2 GLN 5 HG2 GLN 5 -9.101 7.190 3.556
30 HG3 GLN 5 HG3 GLN 5 -10.442 6.467 2.672
31 HE21 GLN 5 HE21 GLN 5 -8.667 4.837 5.220
32 HE22 GLN 5 HE22 GLN 5 -9.965 4.822 6.364
33 H ALA 6 H ALA 6 -8.741 3.524 0.165
34 HA ALA 6 HA ALA 6 -6.501 1.881 0.603
35 HB1 ALA 6 HB1 ALA 6 -7.376 0.492 -1.196
36 HB2 ALA 6 HB2 ALA 6 -8.501 1.772 -1.644
37 HB3 ALA 6 HB3 ALA 6 -8.654 0.973 -0.078
38 H LYS 7 H LYS 7 -7.321 4.146 -1.966
39 HA LYS 7 HA LYS 7 -5.168 3.535 -3.676
40 HB2 LYS 7 HB2 LYS 7 -7.173 4.922 -4.275
41 HB3 LYS 7 HB3 LYS 7 -6.497 6.228 -3.314
42 HG2 LYS 7 HG2 LYS 7 -6.073 6.543 -5.693
43 HG3 LYS 7 HG3 LYS 7 -4.560 6.348 -4.771
44 HD2 LYS 7 HD2 LYS 7 -4.392 4.024 -5.487
45 HD3 LYS 7 HD3 LYS 7 -5.951 4.130 -6.312
46 HE2 LYS 7 HE2 LYS 7 -3.449 5.675 -7.015
47 HE3 LYS 7 HE3 LYS 7 -4.112 4.315 -7.921
48 HZ1 LYS 7 HZ1 LYS 7 -5.474 6.920 -7.496
49 HZ2 LYS 7 HZ2 LYS 7 -6.072 5.622 -8.398
50 HZ3 LYS 7 HZ3 LYS 7 -4.688 6.445 -8.913
51 H TYR 8 H TYR 8 -5.457 5.609 -0.865
52 HA TYR 8 HA TYR 8 -2.895 6.802 -1.005
53 HB2 TYR 8 HB2 TYR 8 -4.696 7.701 0.414
54 HB3 TYR 8 HB3 TYR 8 -4.645 6.241 1.405
55 HD1 TYR 8 HD1 TYR 8 -3.081 6.001 3.153
56 HD2 TYR 8 HD2 TYR 8 -2.727 9.250 0.433
57 HE1 TYR 8 HE1 TYR 8 -1.398 7.029 4.614
58 HE2 TYR 8 HE2 TYR 8 -1.040 10.292 1.892
59 HH TYR 8 HH TYR 8 -0.376 10.235 4.272
60 H CYS 9 H CYS 9 -4.117 3.856 0.506
61 HA CYS 9 HA CYS 9 -1.802 3.071 1.882
62 HB2 CYS 9 HB2 CYS 9 -4.091 2.029 2.120
63 HB3 CYS 9 HB3 CYS 9 -3.823 1.212 0.575
64 H TYR 10 H TYR 10 -2.896 2.320 -1.410
65 HA TYR 10 HA TYR 10 -0.623 0.721 -2.036
66 HB2 TYR 10 HB2 TYR 10 -2.814 1.949 -3.719
67 HB3 TYR 10 HB3 TYR 10 -1.459 1.079 -4.445
68 HD1 TYR 10 HD1 TYR 10 -4.650 0.763 -2.774
69 HD2 TYR 10 HD2 TYR 10 -1.097 -1.319 -3.840
70 HE1 TYR 10 HE1 TYR 10 -5.808 -1.373 -2.444
71 HE2 TYR 10 HE2 TYR 10 -2.245 -3.455 -3.511
72 HH TYR 10 HH TYR 10 -5.615 -3.718 -3.182
73 H GLU 11 H GLU 11 -1.316 4.156 -2.343
74 HA GLU 11 HA GLU 11 0.852 4.702 -4.090
75 HB2 GLU 11 HB2 GLU 11 -1.028 6.281 -3.830
76 HB3 GLU 11 HB3 GLU 11 -0.542 6.581 -2.147
77 HG2 GLU 11 HG2 GLU 11 1.631 7.441 -2.987
78 HG3 GLU 11 HG3 GLU 11 1.014 7.257 -4.644
79 H GLN 12 H GLN 12 0.495 4.958 -0.545
80 HA GLN 12 HA GLN 12 3.150 6.044 -0.312
81 HB2 GLN 12 HB2 GLN 12 1.127 5.295 1.806
82 HB3 GLN 12 HB3 GLN 12 2.647 6.110 2.107
83 HG2 GLN 12 HG2 GLN 12 0.760 7.271 0.138
84 HG3 GLN 12 HG3 GLN 12 0.435 7.444 1.855
85 HE21 GLN 12 HE21 GLN 12 3.686 7.314 0.655
86 HE22 GLN 12 HE22 GLN 12 4.067 8.980 0.935
87 H CYS 13 H CYS 13 1.832 2.881 -0.249
88 HA CYS 13 HA CYS 13 3.405 1.675 1.722
89 HB2 CYS 13 HB2 CYS 13 2.892 -0.449 0.596
90 HB3 CYS 13 HB3 CYS 13 1.456 0.577 0.654
91 H ASN 14 H ASN 14 4.031 1.738 -1.805
92 HA ASN 14 HA ASN 14 6.680 0.719 -1.539
93 HB2 ASN 14 HB2 ASN 14 5.403 2.257 -3.813
94 HB3 ASN 14 HB3 ASN 14 6.983 1.502 -3.905
95 HD21 ASN 14 HD21 ASN 14 6.205 -0.871 -2.387
96 HD22 ASN 14 HD22 ASN 14 5.186 -1.789 -3.446
97 H VAL 15 H VAL 15 5.329 3.919 -1.363
98 HA VAL 15 HA VAL 15 7.735 5.344 -1.842
99 HB VAL 15 HB VAL 15 5.216 6.213 -0.414
100 HG11 VAL 15 HG11 VAL 15 7.588 7.852 -1.315
101 HG12 VAL 15 HG12 VAL 15 7.061 7.588 0.347
102 HG13 VAL 15 HG13 VAL 15 6.055 8.521 -0.761
103 HG21 VAL 15 HG21 VAL 15 4.742 7.428 -2.492
104 HG22 VAL 15 HG22 VAL 15 4.886 5.694 -2.784
105 HG23 VAL 15 HG23 VAL 15 6.214 6.772 -3.212
106 H ASN 16 H ASN 16 6.120 4.154 1.089
107 HA ASN 16 HA ASN 16 8.008 5.289 2.895
108 HB2 ASN 16 HB2 ASN 16 6.255 2.825 3.234
109 HB3 ASN 16 HB3 ASN 16 7.138 3.637 4.529
110 HD21 ASN 16 HD21 ASN 16 6.570 6.303 3.529
111 HD22 ASN 16 HD22 ASN 16 4.903 6.597 3.885
112 H LYS 17 H LYS 17 7.565 1.808 2.434
113 HA LYS 17 HA LYS 17 9.828 1.193 1.001
114 HB2 LYS 17 HB2 LYS 17 10.390 1.559 3.869
115 HB3 LYS 17 HB3 LYS 17 10.928 0.009 3.210
116 HG2 LYS 17 HG2 LYS 17 12.247 1.163 1.520
117 HG3 LYS 17 HG3 LYS 17 11.660 2.727 2.100
118 HD2 LYS 17 HD2 LYS 17 12.676 2.147 4.354
119 HD3 LYS 17 HD3 LYS 17 13.409 0.737 3.556
120 HE2 LYS 17 HE2 LYS 17 14.579 2.188 2.001
121 HE3 LYS 17 HE3 LYS 17 13.816 3.609 2.712
122 HZ1 LYS 17 HZ1 LYS 17 16.053 3.319 3.538
123 HZ2 LYS 17 HZ2 LYS 17 15.690 1.764 4.093
124 HZ3 LYS 17 HZ3 LYS 17 14.944 3.107 4.795
125 H VAL 18 H VAL 18 8.075 -0.226 0.193
126 HA VAL 18 HA VAL 18 8.172 -2.761 1.622
127 HB VAL 18 HB VAL 18 5.912 -3.175 1.899
128 HG11 VAL 18 HG11 VAL 18 6.569 -1.425 3.470
129 HG12 VAL 18 HG12 VAL 18 4.855 -1.338 3.063
130 HG13 VAL 18 HG13 VAL 18 5.993 -0.195 2.344
131 HG21 VAL 18 HG21 VAL 18 4.087 -1.997 0.792
132 HG22 VAL 18 HG22 VAL 18 5.233 -2.692 -0.359
133 HG23 VAL 18 HG23 VAL 18 5.258 -0.957 -0.027
134 HA PRO 19 HA PRO 19 8.209 -4.316 -2.619
135 HB2 PRO 19 HB2 PRO 19 7.278 -6.813 -1.343
136 HB3 PRO 19 HB3 PRO 19 8.726 -6.528 -2.327
137 HG2 PRO 19 HG2 PRO 19 8.913 -6.934 0.311
138 HG3 PRO 19 HG3 PRO 19 9.975 -5.794 -0.536
139 HD2 PRO 19 HD2 PRO 19 7.558 -5.214 1.149
140 HD3 PRO 19 HD3 PRO 19 9.120 -4.364 1.059
141 H PHE 20 H PHE 20 6.576 -5.104 -4.160
142 HA PHE 20 HA PHE 20 4.092 -3.909 -3.752
143 HB2 PHE 20 HB2 PHE 20 5.015 -4.451 -5.998
144 HB3 PHE 20 HB3 PHE 20 4.641 -6.147 -5.712
145 HD1 PHE 20 HD1 PHE 20 3.228 -2.816 -6.290
146 HD2 PHE 20 HD2 PHE 20 2.388 -6.961 -5.828
147 HE1 PHE 20 HE1 PHE 20 0.944 -2.442 -7.129
148 HE2 PHE 20 HE2 PHE 20 0.104 -6.597 -6.668
149 HZ PHE 20 HZ PHE 20 -0.621 -4.336 -7.316
150 H ASP 21 H ASP 21 4.971 -7.337 -3.405
151 HA ASP 21 HA ASP 21 2.390 -8.311 -2.900
152 HB2 ASP 21 HB2 ASP 21 3.561 -10.211 -1.762
153 HB3 ASP 21 HB3 ASP 21 4.148 -9.868 -3.388
154 H GLN 22 H GLN 22 4.819 -6.974 -0.711
155 HA GLN 22 HA GLN 22 3.378 -7.309 1.691
156 HB2 GLN 22 HB2 GLN 22 5.725 -6.759 1.747
157 HB3 GLN 22 HB3 GLN 22 5.450 -5.272 0.846
158 HG2 GLN 22 HG2 GLN 22 5.805 -4.691 3.110
159 HG3 GLN 22 HG3 GLN 22 4.087 -4.450 2.758
160 HE21 GLN 22 HE21 GLN 22 6.434 -6.350 4.473
161 HE22 GLN 22 HE22 GLN 22 5.307 -7.146 5.519
162 H CYS 23 H CYS 23 3.429 -4.744 -0.746
163 HA CYS 23 HA CYS 23 1.683 -2.957 0.565
164 HB2 CYS 23 HB2 CYS 23 3.033 -2.393 -1.502
165 HB3 CYS 23 HB3 CYS 23 1.881 -3.349 -2.436
166 H TYR 24 H TYR 24 1.066 -5.559 -1.735
167 HA TYR 24 HA TYR 24 -1.726 -5.259 -1.837
168 HB2 TYR 24 HB2 TYR 24 -0.180 -6.637 -3.385
169 HB3 TYR 24 HB3 TYR 24 -0.309 -7.908 -2.157
170 HD1 TYR 24 HD1 TYR 24 -2.489 -8.985 -1.725
171 HD2 TYR 24 HD2 TYR 24 -1.984 -6.138 -4.842
172 HE1 TYR 24 HE1 TYR 24 -4.585 -9.742 -2.750
173 HE2 TYR 24 HE2 TYR 24 -4.080 -6.884 -5.873
174 HH TYR 24 HH TYR 24 -6.311 -8.877 -4.265
175 H GLN 25 H GLN 25 0.378 -7.076 0.357
176 HA GLN 25 HA GLN 25 -1.799 -8.606 1.424
177 HB2 GLN 25 HB2 GLN 25 -0.232 -9.770 2.670
178 HB3 GLN 25 HB3 GLN 25 0.794 -9.150 1.383
179 HG2 GLN 25 HG2 GLN 25 1.594 -7.375 2.824
180 HG3 GLN 25 HG3 GLN 25 0.481 -7.871 4.094
181 HE21 GLN 25 HE21 GLN 25 2.179 -10.162 2.087
182 HE22 GLN 25 HE22 GLN 25 3.230 -10.760 3.325
183 H MET 26 H MET 26 -0.403 -5.527 2.152
184 HA MET 26 HA MET 26 -1.660 -5.410 4.758
185 HB2 MET 26 HB2 MET 26 0.471 -4.323 4.578
186 HB3 MET 26 HB3 MET 26 -0.045 -3.435 3.154
187 HG2 MET 26 HG2 MET 26 -1.664 -2.189 4.554
188 HG3 MET 26 HG3 MET 26 -1.041 -3.031 5.973
189 HE1 MET 26 HE1 MET 26 1.541 -0.155 3.427
190 HE2 MET 26 HE2 MET 26 -0.105 -0.624 2.999
191 HE3 MET 26 HE3 MET 26 1.199 -1.808 2.929
192 H CYS 27 H CYS 27 -2.111 -3.951 1.546
193 HA CYS 27 HA CYS 27 -4.260 -2.297 2.539
194 HB2 CYS 27 HB2 CYS 27 -3.367 -2.655 -0.338
195 HB3 CYS 27 HB3 CYS 27 -4.348 -1.336 0.332
196 H SER 28 H SER 28 -4.067 -5.413 0.927
197 HA SER 28 HA SER 28 -6.597 -5.339 -0.276
198 HB2 SER 28 HB2 SER 28 -6.481 -7.850 -0.301
199 HB3 SER 28 HB3 SER 28 -5.111 -7.017 -1.046
200 HG SER 28 HG SER 28 -3.833 -7.627 0.578
201 HA PRO 29 HA PRO 29 -8.419 -7.430 3.772
202 HB2 PRO 29 HB2 PRO 29 -6.618 -6.132 5.754
203 HB3 PRO 29 HB3 PRO 29 -7.365 -7.743 5.795
204 HG2 PRO 29 HG2 PRO 29 -4.783 -7.520 5.243
205 HG3 PRO 29 HG3 PRO 29 -5.799 -8.651 4.313
206 HD2 PRO 29 HD2 PRO 29 -4.821 -5.906 3.535
207 HD3 PRO 29 HD3 PRO 29 -4.879 -7.400 2.565
208 H LEU 30 H LEU 30 -7.194 -4.297 3.228
209 HA LEU 30 HA LEU 30 -9.174 -2.942 4.858
210 HB2 LEU 30 HB2 LEU 30 -7.121 -1.789 4.821
211 HB3 LEU 30 HB3 LEU 30 -6.910 -2.061 3.082
212 HG LEU 30 HG LEU 30 -8.721 -0.462 2.612
213 HD11 LEU 30 HD11 LEU 30 -9.593 0.982 4.368
214 HD12 LEU 30 HD12 LEU 30 -8.708 0.063 5.584
215 HD13 LEU 30 HD13 LEU 30 -10.006 -0.705 4.670
216 HD21 LEU 30 HD21 LEU 30 -6.514 0.622 4.363
217 HD22 LEU 30 HD22 LEU 30 -7.483 1.563 3.231
218 HD23 LEU 30 HD23 LEU 30 -6.409 0.297 2.631
219 H GLU 31 H GLU 31 -8.310 -3.062 1.431
220 HA GLU 31 HA GLU 31 -10.664 -1.657 0.625
221 HB2 GLU 31 HB2 GLU 31 -8.421 -1.610 -0.535
222 HB3 GLU 31 HB3 GLU 31 -8.769 -3.243 -1.117
223 HG2 GLU 31 HG2 GLU 31 -10.532 -0.861 -1.717
224 HG3 GLU 31 HG3 GLU 31 -9.203 -1.383 -2.760
225 H ARG 32 H ARG 32 -9.626 -5.052 0.446
226 HA ARG 32 HA ARG 32 -12.173 -5.662 -0.880
227 HB2 ARG 32 HB2 ARG 32 -9.880 -6.393 -1.867
228 HB3 ARG 32 HB3 ARG 32 -9.879 -7.611 -0.582
229 HG2 ARG 32 HG2 ARG 32 -10.763 -8.746 -2.435
230 HG3 ARG 32 HG3 ARG 32 -12.181 -8.312 -1.482
231 HD2 ARG 32 HD2 ARG 32 -11.225 -7.168 -4.089
232 HD3 ARG 32 HD3 ARG 32 -12.818 -7.778 -3.655
233 HE ARG 32 HE ARG 32 -11.709 -5.145 -2.944
234 HH11 ARG 32 HH11 ARG 32 -14.449 -7.343 -3.090
235 HH12 ARG 32 HH12 ARG 32 -15.613 -6.111 -2.731
236 HH21 ARG 32 HH21 ARG 32 -13.237 -3.538 -2.458
237 HH22 ARG 32 HH22 ARG 32 -14.928 -3.953 -2.364
238 H SER 33 H SER 33 -12.952 -5.204 1.408
239 HA SER 33 HA SER 33 -13.496 -7.816 2.592
240 HB2 SER 33 HB2 SER 33 -12.585 -5.439 4.254
241 HB3 SER 33 HB3 SER 33 -13.179 -6.967 4.898
242 HG SER 33 HG SER 33 -10.722 -6.402 4.375
Start of MODEL 5
1 HA ALA 1 HA ALA 1 -15.527 0.483 1.662
2 HB1 ALA 1 HB1 ALA 1 -17.986 0.420 1.844
3 HB2 ALA 1 HB2 ALA 1 -17.438 1.232 0.378
4 HB3 ALA 1 HB3 ALA 1 -18.019 2.180 1.746
5 H SER 2 H SER 2 -13.841 1.509 0.808
6 HA SER 2 HA SER 2 -14.042 4.178 -0.160
7 HB2 SER 2 HB2 SER 2 -13.679 4.706 2.259
8 HB3 SER 2 HB3 SER 2 -12.167 3.797 2.201
9 HG SER 2 HG SER 2 -12.279 6.264 1.787
10 HA PRO 3 HA PRO 3 -10.866 1.586 -2.378
11 HB2 PRO 3 HB2 PRO 3 -12.097 3.245 -4.532
12 HB3 PRO 3 HB3 PRO 3 -11.608 1.535 -4.563
13 HG2 PRO 3 HG2 PRO 3 -14.169 2.156 -4.402
14 HG3 PRO 3 HG3 PRO 3 -13.505 0.847 -3.401
15 HD2 PRO 3 HD2 PRO 3 -14.191 3.671 -2.580
16 HD3 PRO 3 HD3 PRO 3 -14.477 2.127 -1.714
17 H GLN 4 H GLN 4 -11.673 4.886 -1.887
18 HA GLN 4 HA GLN 4 -9.481 6.062 -3.278
19 HB2 GLN 4 HB2 GLN 4 -11.358 7.121 -1.167
20 HB3 GLN 4 HB3 GLN 4 -10.051 8.087 -1.835
21 HG2 GLN 4 HG2 GLN 4 -11.023 7.933 -4.060
22 HG3 GLN 4 HG3 GLN 4 -12.291 6.870 -3.452
23 HE21 GLN 4 HE21 GLN 4 -11.139 9.571 -1.580
24 HE22 GLN 4 HE22 GLN 4 -12.561 10.546 -1.755
25 H GLN 5 H GLN 5 -10.092 5.419 0.173
26 HA GLN 5 HA GLN 5 -7.581 6.352 1.046
27 HB2 GLN 5 HB2 GLN 5 -8.030 5.358 3.149
28 HB3 GLN 5 HB3 GLN 5 -9.585 5.880 2.524
29 HG2 GLN 5 HG2 GLN 5 -10.154 3.628 1.904
30 HG3 GLN 5 HG3 GLN 5 -8.541 3.065 2.327
31 HE21 GLN 5 HE21 GLN 5 -8.389 4.701 4.744
32 HE22 GLN 5 HE22 GLN 5 -9.424 3.933 5.901
33 H ALA 6 H ALA 6 -8.595 3.363 -0.330
34 HA ALA 6 HA ALA 6 -6.381 1.774 0.388
35 HB1 ALA 6 HB1 ALA 6 -8.482 0.860 -0.510
36 HB2 ALA 6 HB2 ALA 6 -7.058 0.280 -1.376
37 HB3 ALA 6 HB3 ALA 6 -8.074 1.533 -2.089
38 H LYS 7 H LYS 7 -6.974 3.973 -2.293
39 HA LYS 7 HA LYS 7 -4.679 3.372 -3.805
40 HB2 LYS 7 HB2 LYS 7 -6.584 4.728 -4.648
41 HB3 LYS 7 HB3 LYS 7 -6.119 6.028 -3.562
42 HG2 LYS 7 HG2 LYS 7 -5.381 6.480 -5.824
43 HG3 LYS 7 HG3 LYS 7 -3.987 6.272 -4.731
44 HD2 LYS 7 HD2 LYS 7 -3.682 3.979 -5.531
45 HD3 LYS 7 HD3 LYS 7 -5.108 4.122 -6.563
46 HE2 LYS 7 HE2 LYS 7 -3.033 4.407 -7.855
47 HE3 LYS 7 HE3 LYS 7 -4.005 5.878 -7.860
48 HZ1 LYS 7 HZ1 LYS 7 -1.653 6.330 -7.511
49 HZ2 LYS 7 HZ2 LYS 7 -1.660 5.384 -6.111
50 HZ3 LYS 7 HZ3 LYS 7 -2.568 6.809 -6.170
51 H TYR 8 H TYR 8 -5.237 5.529 -1.088
52 HA TYR 8 HA TYR 8 -2.670 6.714 -1.041
53 HB2 TYR 8 HB2 TYR 8 -4.592 7.680 0.165
54 HB3 TYR 8 HB3 TYR 8 -4.631 6.275 1.229
55 HD1 TYR 8 HD1 TYR 8 -2.618 9.220 0.260
56 HD2 TYR 8 HD2 TYR 8 -3.230 6.134 3.120
57 HE1 TYR 8 HE1 TYR 8 -1.052 10.338 1.794
58 HE2 TYR 8 HE2 TYR 8 -1.667 7.235 4.656
59 HH TYR 8 HH TYR 8 0.093 8.801 4.687
60 H CYS 9 H CYS 9 -4.051 3.876 0.544
61 HA CYS 9 HA CYS 9 -1.898 3.174 2.177
62 HB2 CYS 9 HB2 CYS 9 -4.219 2.130 2.172
63 HB3 CYS 9 HB3 CYS 9 -3.714 1.197 0.758
64 H TYR 10 H TYR 10 -2.637 2.176 -1.154
65 HA TYR 10 HA TYR 10 -0.292 0.604 -1.468
66 HB2 TYR 10 HB2 TYR 10 -2.318 1.718 -3.408
67 HB3 TYR 10 HB3 TYR 10 -0.872 0.871 -3.971
68 HD1 TYR 10 HD1 TYR 10 -4.206 0.503 -2.637
69 HD2 TYR 10 HD2 TYR 10 -0.488 -1.483 -3.225
70 HE1 TYR 10 HE1 TYR 10 -5.319 -1.664 -2.342
71 HE2 TYR 10 HE2 TYR 10 -1.591 -3.644 -2.932
72 HH TYR 10 HH TYR 10 -4.877 -4.084 -3.068
73 H GLU 11 H GLU 11 -1.082 3.952 -2.355
74 HA GLU 11 HA GLU 11 1.204 4.382 -3.929
75 HB2 GLU 11 HB2 GLU 11 -0.875 5.818 -3.912
76 HB3 GLU 11 HB3 GLU 11 -0.303 6.507 -2.377
77 HG2 GLU 11 HG2 GLU 11 1.757 7.252 -3.547
78 HG3 GLU 11 HG3 GLU 11 1.048 6.672 -5.072
79 H GLN 12 H GLN 12 0.648 4.780 -0.447
80 HA GLN 12 HA GLN 12 3.159 6.119 -0.092
81 HB2 GLN 12 HB2 GLN 12 1.209 5.003 1.922
82 HB3 GLN 12 HB3 GLN 12 2.639 5.935 2.333
83 HG2 GLN 12 HG2 GLN 12 0.384 6.898 0.606
84 HG3 GLN 12 HG3 GLN 12 0.586 7.271 2.312
85 HE21 GLN 12 HE21 GLN 12 3.504 7.505 2.066
86 HE22 GLN 12 HE22 GLN 12 3.784 9.014 1.265
87 H CYS 13 H CYS 13 2.173 2.849 -0.282
88 HA CYS 13 HA CYS 13 3.933 1.614 1.471
89 HB2 CYS 13 HB2 CYS 13 2.664 0.711 -1.100
90 HB3 CYS 13 HB3 CYS 13 3.907 -0.290 -0.338
91 H ASN 14 H ASN 14 4.555 2.131 -2.046
92 HA ASN 14 HA ASN 14 7.283 1.379 -1.714
93 HB2 ASN 14 HB2 ASN 14 7.618 1.964 -4.029
94 HB3 ASN 14 HB3 ASN 14 6.095 1.108 -3.877
95 HD21 ASN 14 HD21 ASN 14 4.640 3.470 -2.883
96 HD22 ASN 14 HD22 ASN 14 4.456 4.515 -4.244
97 H VAL 15 H VAL 15 5.592 4.383 -1.489
98 HA VAL 15 HA VAL 15 7.747 6.160 -1.693
99 HB VAL 15 HB VAL 15 5.181 6.362 -0.110
100 HG11 VAL 15 HG11 VAL 15 6.877 7.778 0.933
101 HG12 VAL 15 HG12 VAL 15 5.655 8.756 0.119
102 HG13 VAL 15 HG13 VAL 15 7.233 8.513 -0.628
103 HG21 VAL 15 HG21 VAL 15 4.520 7.916 -1.894
104 HG22 VAL 15 HG22 VAL 15 4.899 6.319 -2.540
105 HG23 VAL 15 HG23 VAL 15 6.060 7.635 -2.706
106 H ASN 16 H ASN 16 6.397 4.416 1.114
107 HA ASN 16 HA ASN 16 8.398 5.523 2.884
108 HB2 ASN 16 HB2 ASN 16 6.508 3.186 3.339
109 HB3 ASN 16 HB3 ASN 16 7.442 4.029 4.578
110 HD21 ASN 16 HD21 ASN 16 6.941 6.658 3.397
111 HD22 ASN 16 HD22 ASN 16 5.296 7.034 3.788
112 H LYS 17 H LYS 17 7.665 2.065 2.521
113 HA LYS 17 HA LYS 17 9.773 1.305 0.944
114 HB2 LYS 17 HB2 LYS 17 11.441 0.363 2.431
115 HB3 LYS 17 HB3 LYS 17 11.254 2.086 2.768
116 HG2 LYS 17 HG2 LYS 17 10.012 -0.131 4.404
117 HG3 LYS 17 HG3 LYS 17 11.544 0.657 4.785
118 HD2 LYS 17 HD2 LYS 17 10.451 2.782 5.097
119 HD3 LYS 17 HD3 LYS 17 8.893 2.128 4.544
120 HE2 LYS 17 HE2 LYS 17 8.941 0.555 6.465
121 HE3 LYS 17 HE3 LYS 17 10.430 1.316 7.021
122 HZ1 LYS 17 HZ1 LYS 17 7.782 2.628 6.752
123 HZ2 LYS 17 HZ2 LYS 17 9.208 3.414 7.208
124 HZ3 LYS 17 HZ3 LYS 17 8.554 2.210 8.199
125 H VAL 18 H VAL 18 7.896 0.061 0.250
126 HA VAL 18 HA VAL 18 8.010 -2.579 1.341
127 HB VAL 18 HB VAL 18 6.323 -2.435 2.823
128 HG11 VAL 18 HG11 VAL 18 4.714 -0.596 2.970
129 HG12 VAL 18 HG12 VAL 18 5.326 0.051 1.448
130 HG13 VAL 18 HG13 VAL 18 6.376 -0.011 2.862
131 HG21 VAL 18 HG21 VAL 18 4.601 -2.145 0.360
132 HG22 VAL 18 HG22 VAL 18 4.059 -2.716 1.940
133 HG23 VAL 18 HG23 VAL 18 5.228 -3.656 1.013
134 HA PRO 19 HA PRO 19 7.397 -3.353 -3.009
135 HB2 PRO 19 HB2 PRO 19 6.855 -6.096 -2.022
136 HB3 PRO 19 HB3 PRO 19 8.053 -5.544 -3.207
137 HG2 PRO 19 HG2 PRO 19 8.800 -6.310 -0.759
138 HG3 PRO 19 HG3 PRO 19 9.591 -4.957 -1.591
139 HD2 PRO 19 HD2 PRO 19 7.557 -4.885 0.614
140 HD3 PRO 19 HD3 PRO 19 8.983 -3.855 0.336
141 H PHE 20 H PHE 20 5.656 -3.867 -4.410
142 HA PHE 20 HA PHE 20 3.113 -3.193 -3.520
143 HB2 PHE 20 HB2 PHE 20 3.880 -3.116 -5.905
144 HB3 PHE 20 HB3 PHE 20 3.699 -4.865 -5.972
145 HD1 PHE 20 HD1 PHE 20 1.514 -5.893 -6.043
146 HD2 PHE 20 HD2 PHE 20 1.942 -1.669 -5.765
147 HE1 PHE 20 HE1 PHE 20 -0.858 -5.617 -6.634
148 HE2 PHE 20 HE2 PHE 20 -0.430 -1.386 -6.353
149 HZ PHE 20 HZ PHE 20 -1.834 -3.361 -6.788
150 H ASP 21 H ASP 21 4.493 -6.426 -4.011
151 HA ASP 21 HA ASP 21 2.114 -7.876 -3.634
152 HB2 ASP 21 HB2 ASP 21 3.588 -9.814 -3.177
153 HB3 ASP 21 HB3 ASP 21 4.057 -8.933 -4.629
154 H GLN 22 H GLN 22 4.616 -6.906 -1.310
155 HA GLN 22 HA GLN 22 3.330 -8.044 0.942
156 HB2 GLN 22 HB2 GLN 22 5.674 -7.514 1.063
157 HB3 GLN 22 HB3 GLN 22 5.366 -5.822 0.703
158 HG2 GLN 22 HG2 GLN 22 4.024 -5.748 2.846
159 HG3 GLN 22 HG3 GLN 22 4.708 -7.337 3.205
160 HE21 GLN 22 HE21 GLN 22 7.262 -6.744 1.959
161 HE22 GLN 22 HE22 GLN 22 8.088 -5.670 3.038
162 H CYS 23 H CYS 23 3.126 -4.923 -0.669
163 HA CYS 23 HA CYS 23 1.524 -3.609 1.264
164 HB2 CYS 23 HB2 CYS 23 2.695 -2.535 -0.750
165 HB3 CYS 23 HB3 CYS 23 1.347 -3.130 -1.720
166 H TYR 24 H TYR 24 0.760 -5.669 -1.476
167 HA TYR 24 HA TYR 24 -2.017 -5.527 -1.459
168 HB2 TYR 24 HB2 TYR 24 -0.478 -6.761 -3.110
169 HB3 TYR 24 HB3 TYR 24 -0.478 -8.088 -1.940
170 HD1 TYR 24 HD1 TYR 24 -2.301 -6.403 -4.552
171 HD2 TYR 24 HD2 TYR 24 -2.633 -9.241 -1.406
172 HE1 TYR 24 HE1 TYR 24 -4.388 -7.243 -5.537
173 HE2 TYR 24 HE2 TYR 24 -4.720 -10.087 -2.379
174 HH TYR 24 HH TYR 24 -5.705 -9.445 -5.479
175 H GLN 25 H GLN 25 0.189 -7.246 0.650
176 HA GLN 25 HA GLN 25 -1.780 -8.991 1.757
177 HB2 GLN 25 HB2 GLN 25 1.019 -8.223 2.574
178 HB3 GLN 25 HB3 GLN 25 0.014 -9.228 3.613
179 HG2 GLN 25 HG2 GLN 25 0.716 -9.915 0.751
180 HG3 GLN 25 HG3 GLN 25 1.546 -10.540 2.175
181 HE21 GLN 25 HE21 GLN 25 0.496 -12.000 3.504
182 HE22 GLN 25 HE22 GLN 25 -0.916 -12.862 2.994
183 H MET 26 H MET 26 -0.666 -5.769 2.498
184 HA MET 26 HA MET 26 -2.120 -5.748 5.010
185 HB2 MET 26 HB2 MET 26 -0.012 -4.654 5.124
186 HB3 MET 26 HB3 MET 26 -0.325 -3.756 3.649
187 HG2 MET 26 HG2 MET 26 -2.080 -2.476 4.811
188 HG3 MET 26 HG3 MET 26 -1.717 -3.356 6.296
189 HE1 MET 26 HE1 MET 26 -0.159 -1.061 3.506
190 HE2 MET 26 HE2 MET 26 1.126 -2.247 3.743
191 HE3 MET 26 HE3 MET 26 1.365 -0.578 4.250
192 H CYS 27 H CYS 27 -2.196 -3.933 1.922
193 HA CYS 27 HA CYS 27 -4.400 -2.342 2.862
194 HB2 CYS 27 HB2 CYS 27 -3.263 -2.484 0.052
195 HB3 CYS 27 HB3 CYS 27 -4.278 -1.199 0.734
196 H SER 28 H SER 28 -4.164 -5.261 0.928
197 HA SER 28 HA SER 28 -6.636 -4.996 -0.376
198 HB2 SER 28 HB2 SER 28 -4.998 -7.428 0.241
199 HB3 SER 28 HB3 SER 28 -6.562 -7.528 -0.582
200 HG SER 28 HG SER 28 -4.570 -5.739 -1.482
201 HA PRO 29 HA PRO 29 -8.604 -7.556 3.387
202 HB2 PRO 29 HB2 PRO 29 -6.770 -6.297 5.390
203 HB3 PRO 29 HB3 PRO 29 -7.614 -7.859 5.466
204 HG2 PRO 29 HG2 PRO 29 -5.037 -7.818 4.878
205 HG3 PRO 29 HG3 PRO 29 -6.137 -8.880 3.961
206 HD2 PRO 29 HD2 PRO 29 -4.906 -6.263 3.150
207 HD3 PRO 29 HD3 PRO 29 -5.219 -7.718 2.174
208 H LEU 30 H LEU 30 -7.057 -4.416 3.847
209 HA LEU 30 HA LEU 30 -9.075 -3.026 5.153
210 HB2 LEU 30 HB2 LEU 30 -6.978 -1.950 4.978
211 HB3 LEU 30 HB3 LEU 30 -6.914 -2.204 3.223
212 HG LEU 30 HG LEU 30 -8.746 -0.554 2.949
213 HD11 LEU 30 HD11 LEU 30 -9.768 -0.739 5.151
214 HD12 LEU 30 HD12 LEU 30 -9.330 0.929 4.787
215 HD13 LEU 30 HD13 LEU 30 -8.335 -0.019 5.890
216 HD21 LEU 30 HD21 LEU 30 -6.266 0.418 4.370
217 HD22 LEU 30 HD22 LEU 30 -7.356 1.431 3.427
218 HD23 LEU 30 HD23 LEU 30 -6.449 0.140 2.637
219 H GLU 31 H GLU 31 -8.444 -3.215 1.682
220 HA GLU 31 HA GLU 31 -10.769 -1.662 1.032
221 HB2 GLU 31 HB2 GLU 31 -8.559 -1.684 -0.219
222 HB3 GLU 31 HB3 GLU 31 -9.051 -3.252 -0.877
223 HG2 GLU 31 HG2 GLU 31 -10.713 -0.754 -1.222
224 HG3 GLU 31 HG3 GLU 31 -9.438 -1.226 -2.353
225 H ARG 32 H ARG 32 -9.820 -5.035 0.428
226 HA ARG 32 HA ARG 32 -12.619 -5.635 -0.242
227 HB2 ARG 32 HB2 ARG 32 -10.060 -7.178 -0.761
228 HB3 ARG 32 HB3 ARG 32 -11.654 -7.899 -0.974
229 HG2 ARG 32 HG2 ARG 32 -10.631 -5.453 -2.456
230 HG3 ARG 32 HG3 ARG 32 -10.640 -7.091 -3.102
231 HD2 ARG 32 HD2 ARG 32 -12.516 -5.978 -4.013
232 HD3 ARG 32 HD3 ARG 32 -13.154 -7.077 -2.799
233 HE ARG 32 HE ARG 32 -12.668 -4.302 -1.998
234 HH11 ARG 32 HH11 ARG 32 -14.978 -6.754 -2.969
235 HH12 ARG 32 HH12 ARG 32 -16.348 -5.876 -2.368
236 HH21 ARG 32 HH21 ARG 32 -14.462 -3.154 -1.205
237 HH22 ARG 32 HH22 ARG 32 -16.057 -3.827 -1.354
238 H SER 33 H SER 33 -13.255 -5.491 1.949
239 HA SER 33 HA SER 33 -12.270 -7.361 3.893
240 HB2 SER 33 HB2 SER 33 -14.954 -5.972 4.028
241 HB3 SER 33 HB3 SER 33 -13.890 -6.441 5.356
242 HG SER 33 HG SER 33 -12.356 -4.877 4.339
Start of MODEL 6
1 HA ALA 1 HA ALA 1 -15.354 1.820 2.231
2 HB1 ALA 1 HB1 ALA 1 -17.171 2.284 -0.132
3 HB2 ALA 1 HB2 ALA 1 -16.890 0.734 0.662
4 HB3 ALA 1 HB3 ALA 1 -15.571 1.545 -0.181
5 H SER 2 H SER 2 -13.721 2.922 0.928
6 HA SER 2 HA SER 2 -14.163 5.688 0.232
7 HB2 SER 2 HB2 SER 2 -12.403 4.994 2.610
8 HB3 SER 2 HB3 SER 2 -12.442 6.573 1.830
9 HG SER 2 HG SER 2 -14.908 5.560 2.581
10 HA PRO 3 HA PRO 3 -11.154 3.386 -2.472
11 HB2 PRO 3 HB2 PRO 3 -11.835 5.885 -3.979
12 HB3 PRO 3 HB3 PRO 3 -11.589 4.232 -4.593
13 HG2 PRO 3 HG2 PRO 3 -14.039 5.128 -4.318
14 HG3 PRO 3 HG3 PRO 3 -13.642 3.492 -3.747
15 HD2 PRO 3 HD2 PRO 3 -14.054 5.999 -2.126
16 HD3 PRO 3 HD3 PRO 3 -14.539 4.310 -1.771
17 H GLN 4 H GLN 4 -11.168 6.841 -1.645
18 HA GLN 4 HA GLN 4 -8.536 7.430 -2.342
19 HB2 GLN 4 HB2 GLN 4 -8.669 9.346 -0.861
20 HB3 GLN 4 HB3 GLN 4 -10.173 9.161 -1.747
21 HG2 GLN 4 HG2 GLN 4 -11.342 8.427 0.164
22 HG3 GLN 4 HG3 GLN 4 -9.847 8.079 1.037
23 HE21 GLN 4 HE21 GLN 4 -10.251 10.992 -0.830
24 HE22 GLN 4 HE22 GLN 4 -10.345 12.075 0.518
25 H GLN 5 H GLN 5 -9.745 5.662 0.362
26 HA GLN 5 HA GLN 5 -7.369 5.915 1.950
27 HB2 GLN 5 HB2 GLN 5 -9.678 3.974 2.140
28 HB3 GLN 5 HB3 GLN 5 -8.357 4.052 3.295
29 HG2 GLN 5 HG2 GLN 5 -10.230 6.338 2.698
30 HG3 GLN 5 HG3 GLN 5 -10.410 5.222 4.049
31 HE21 GLN 5 HE21 GLN 5 -7.541 5.045 4.535
32 HE22 GLN 5 HE22 GLN 5 -7.088 6.548 5.263
33 H ALA 6 H ALA 6 -8.752 3.502 -0.193
34 HA ALA 6 HA ALA 6 -6.701 1.586 0.056
35 HB1 ALA 6 HB1 ALA 6 -7.582 0.639 -2.025
36 HB2 ALA 6 HB2 ALA 6 -8.566 2.077 -2.267
37 HB3 ALA 6 HB3 ALA 6 -8.877 1.018 -0.892
38 H LYS 7 H LYS 7 -7.223 4.233 -2.249
39 HA LYS 7 HA LYS 7 -4.942 3.729 -3.818
40 HB2 LYS 7 HB2 LYS 7 -6.787 5.248 -4.511
41 HB3 LYS 7 HB3 LYS 7 -6.279 6.395 -3.282
42 HG2 LYS 7 HG2 LYS 7 -5.472 7.104 -5.434
43 HG3 LYS 7 HG3 LYS 7 -4.097 6.623 -4.408
44 HD2 LYS 7 HD2 LYS 7 -4.057 4.420 -5.533
45 HD3 LYS 7 HD3 LYS 7 -5.394 4.924 -6.570
46 HE2 LYS 7 HE2 LYS 7 -3.289 5.158 -7.773
47 HE3 LYS 7 HE3 LYS 7 -3.974 6.750 -7.455
48 HZ1 LYS 7 HZ1 LYS 7 -2.439 7.039 -5.628
49 HZ2 LYS 7 HZ2 LYS 7 -1.580 6.652 -7.033
50 HZ3 LYS 7 HZ3 LYS 7 -1.827 5.475 -5.847
51 H TYR 8 H TYR 8 -5.431 5.549 -0.856
52 HA TYR 8 HA TYR 8 -2.891 6.773 -0.749
53 HB2 TYR 8 HB2 TYR 8 -4.872 7.464 0.616
54 HB3 TYR 8 HB3 TYR 8 -4.663 6.000 1.576
55 HD1 TYR 8 HD1 TYR 8 -3.112 9.223 0.671
56 HD2 TYR 8 HD2 TYR 8 -3.045 5.881 3.302
57 HE1 TYR 8 HE1 TYR 8 -1.544 10.416 2.140
58 HE2 TYR 8 HE2 TYR 8 -1.474 7.060 4.774
59 HH TYR 8 HH TYR 8 -0.845 10.376 4.502
60 H CYS 9 H CYS 9 -4.135 3.725 0.543
61 HA CYS 9 HA CYS 9 -1.836 3.037 2.027
62 HB2 CYS 9 HB2 CYS 9 -4.100 1.980 2.279
63 HB3 CYS 9 HB3 CYS 9 -3.813 1.101 0.771
64 H TYR 10 H TYR 10 -2.865 2.045 -1.241
65 HA TYR 10 HA TYR 10 -0.516 0.536 -1.761
66 HB2 TYR 10 HB2 TYR 10 -2.619 1.715 -3.596
67 HB3 TYR 10 HB3 TYR 10 -1.253 0.766 -4.189
68 HD1 TYR 10 HD1 TYR 10 -4.538 0.659 -2.699
69 HD2 TYR 10 HD2 TYR 10 -1.027 -1.615 -3.462
70 HE1 TYR 10 HE1 TYR 10 -5.804 -1.407 -2.343
71 HE2 TYR 10 HE2 TYR 10 -2.286 -3.688 -3.109
72 HH TYR 10 HH TYR 10 -5.686 -3.777 -2.981
73 H GLU 11 H GLU 11 -1.334 3.913 -2.154
74 HA GLU 11 HA GLU 11 0.831 4.512 -3.895
75 HB2 GLU 11 HB2 GLU 11 -1.289 5.881 -3.612
76 HB3 GLU 11 HB3 GLU 11 -0.620 6.454 -2.072
77 HG2 GLU 11 HG2 GLU 11 1.241 7.477 -3.238
78 HG3 GLU 11 HG3 GLU 11 0.632 6.850 -4.789
79 H GLN 12 H GLN 12 0.353 4.861 -0.365
80 HA GLN 12 HA GLN 12 2.959 6.038 -0.086
81 HB2 GLN 12 HB2 GLN 12 0.891 5.227 1.958
82 HB3 GLN 12 HB3 GLN 12 2.401 6.030 2.353
83 HG2 GLN 12 HG2 GLN 12 0.595 7.254 0.341
84 HG3 GLN 12 HG3 GLN 12 0.195 7.377 2.047
85 HE21 GLN 12 HE21 GLN 12 3.482 7.293 0.881
86 HE22 GLN 12 HE22 GLN 12 3.865 8.933 1.275
87 H CYS 13 H CYS 13 1.684 2.817 0.080
88 HA CYS 13 HA CYS 13 3.415 1.730 2.000
89 HB2 CYS 13 HB2 CYS 13 2.885 -0.462 1.029
90 HB3 CYS 13 HB3 CYS 13 1.424 0.527 1.131
91 H ASN 14 H ASN 14 3.790 1.620 -1.568
92 HA ASN 14 HA ASN 14 6.480 0.704 -1.337
93 HB2 ASN 14 HB2 ASN 14 6.606 1.216 -3.817
94 HB3 ASN 14 HB3 ASN 14 5.390 0.054 -3.320
95 HD21 ASN 14 HD21 ASN 14 5.168 3.609 -3.152
96 HD22 ASN 14 HD22 ASN 14 3.839 3.723 -4.257
97 H VAL 15 H VAL 15 5.056 3.863 -1.388
98 HA VAL 15 HA VAL 15 7.396 5.306 -2.080
99 HB VAL 15 HB VAL 15 4.912 6.148 -0.588
100 HG11 VAL 15 HG11 VAL 15 5.696 8.463 -0.786
101 HG12 VAL 15 HG12 VAL 15 7.225 7.891 -1.449
102 HG13 VAL 15 HG13 VAL 15 6.788 7.505 0.214
103 HG21 VAL 15 HG21 VAL 15 5.949 6.854 -3.337
104 HG22 VAL 15 HG22 VAL 15 4.420 7.378 -2.626
105 HG23 VAL 15 HG23 VAL 15 4.683 5.675 -2.995
106 H ASN 16 H ASN 16 6.052 4.191 1.013
107 HA ASN 16 HA ASN 16 8.073 5.432 2.608
108 HB2 ASN 16 HB2 ASN 16 6.213 3.091 3.126
109 HB3 ASN 16 HB3 ASN 16 7.434 3.600 4.292
110 HD21 ASN 16 HD21 ASN 16 5.767 5.914 2.299
111 HD22 ASN 16 HD22 ASN 16 4.800 6.592 3.566
112 H LYS 17 H LYS 17 7.660 1.925 2.349
113 HA LYS 17 HA LYS 17 9.692 1.368 0.592
114 HB2 LYS 17 HB2 LYS 17 11.214 2.287 2.335
115 HB3 LYS 17 HB3 LYS 17 10.651 1.022 3.437
116 HG2 LYS 17 HG2 LYS 17 11.548 -0.699 1.986
117 HG3 LYS 17 HG3 LYS 17 12.036 0.520 0.802
118 HD2 LYS 17 HD2 LYS 17 13.594 1.504 2.360
119 HD3 LYS 17 HD3 LYS 17 13.062 0.413 3.658
120 HE2 LYS 17 HE2 LYS 17 13.877 -1.504 2.359
121 HE3 LYS 17 HE3 LYS 17 14.374 -0.421 1.059
122 HZ1 LYS 17 HZ1 LYS 17 15.895 0.652 2.637
123 HZ2 LYS 17 HZ2 LYS 17 16.259 -0.981 2.405
124 HZ3 LYS 17 HZ3 LYS 17 15.472 -0.482 3.816
125 H VAL 18 H VAL 18 7.869 -0.098 0.092
126 HA VAL 18 HA VAL 18 8.328 -2.633 1.454
127 HB VAL 18 HB VAL 18 6.180 -3.155 2.090
128 HG11 VAL 18 HG11 VAL 18 5.111 -1.326 3.265
129 HG12 VAL 18 HG12 VAL 18 6.053 -0.153 2.343
130 HG13 VAL 18 HG13 VAL 18 6.864 -1.256 3.457
131 HG21 VAL 18 HG21 VAL 18 5.164 -2.894 -0.077
132 HG22 VAL 18 HG22 VAL 18 5.089 -1.140 0.132
133 HG23 VAL 18 HG23 VAL 18 4.124 -2.198 1.169
134 HA PRO 19 HA PRO 19 7.998 -4.155 -2.769
135 HB2 PRO 19 HB2 PRO 19 7.120 -6.674 -1.497
136 HB3 PRO 19 HB3 PRO 19 8.511 -6.378 -2.555
137 HG2 PRO 19 HG2 PRO 19 8.834 -6.849 0.063
138 HG3 PRO 19 HG3 PRO 19 9.873 -5.718 -0.825
139 HD2 PRO 19 HD2 PRO 19 7.587 -5.118 1.022
140 HD3 PRO 19 HD3 PRO 19 9.148 -4.286 0.828
141 H PHE 20 H PHE 20 6.303 -4.634 -4.226
142 HA PHE 20 HA PHE 20 3.765 -3.681 -3.532
143 HB2 PHE 20 HB2 PHE 20 4.706 -3.798 -5.866
144 HB3 PHE 20 HB3 PHE 20 4.343 -5.519 -5.861
145 HD1 PHE 20 HD1 PHE 20 2.032 -6.309 -5.897
146 HD2 PHE 20 HD2 PHE 20 2.970 -2.161 -6.037
147 HE1 PHE 20 HE1 PHE 20 -0.260 -5.820 -6.649
148 HE2 PHE 20 HE2 PHE 20 0.681 -1.665 -6.786
149 HZ PHE 20 HZ PHE 20 -0.938 -3.494 -7.091
150 H ASP 21 H ASP 21 4.973 -6.998 -3.740
151 HA ASP 21 HA ASP 21 2.524 -8.311 -3.364
152 HB2 ASP 21 HB2 ASP 21 3.868 -10.245 -2.624
153 HB3 ASP 21 HB3 ASP 21 4.499 -9.528 -4.104
154 H GLN 22 H GLN 22 4.803 -6.945 -1.057
155 HA GLN 22 HA GLN 22 3.412 -7.845 1.264
156 HB2 GLN 22 HB2 GLN 22 5.740 -7.230 1.470
157 HB3 GLN 22 HB3 GLN 22 5.416 -5.612 0.856
158 HG2 GLN 22 HG2 GLN 22 4.020 -5.166 2.831
159 HG3 GLN 22 HG3 GLN 22 4.436 -6.766 3.455
160 HE21 GLN 22 HE21 GLN 22 7.177 -6.656 2.516
161 HE22 GLN 22 HE22 GLN 22 8.006 -5.557 3.565
162 H CYS 23 H CYS 23 3.334 -4.919 -0.714
163 HA CYS 23 HA CYS 23 1.611 -3.390 0.902
164 HB2 CYS 23 HB2 CYS 23 2.830 -2.559 -1.169
165 HB3 CYS 23 HB3 CYS 23 1.605 -3.390 -2.132
166 H TYR 24 H TYR 24 0.966 -5.838 -1.544
167 HA TYR 24 HA TYR 24 -1.852 -5.698 -1.471
168 HB2 TYR 24 HB2 TYR 24 -0.681 -6.810 -3.302
169 HB3 TYR 24 HB3 TYR 24 -0.009 -8.002 -2.178
170 HD1 TYR 24 HD1 TYR 24 -3.281 -6.725 -3.441
171 HD2 TYR 24 HD2 TYR 24 -1.097 -10.016 -1.869
172 HE1 TYR 24 HE1 TYR 24 -5.211 -8.185 -3.829
173 HE2 TYR 24 HE2 TYR 24 -3.019 -11.488 -2.261
174 HH TYR 24 HH TYR 24 -5.669 -10.589 -4.175
175 H GLN 25 H GLN 25 0.369 -6.904 0.834
176 HA GLN 25 HA GLN 25 -1.470 -8.854 1.939
177 HB2 GLN 25 HB2 GLN 25 1.172 -7.773 2.979
178 HB3 GLN 25 HB3 GLN 25 0.227 -9.000 3.809
179 HG2 GLN 25 HG2 GLN 25 0.515 -10.517 1.887
180 HG3 GLN 25 HG3 GLN 25 1.464 -9.287 1.057
181 HE21 GLN 25 HE21 GLN 25 1.641 -9.877 4.502
182 HE22 GLN 25 HE22 GLN 25 3.248 -10.519 4.495
183 H MET 26 H MET 26 -0.355 -5.597 2.644
184 HA MET 26 HA MET 26 -1.887 -5.476 5.097
185 HB2 MET 26 HB2 MET 26 0.245 -4.445 5.202
186 HB3 MET 26 HB3 MET 26 -0.010 -3.603 3.684
187 HG2 MET 26 HG2 MET 26 -1.726 -2.203 4.772
188 HG3 MET 26 HG3 MET 26 -1.382 -3.014 6.301
189 HE1 MET 26 HE1 MET 26 0.243 -0.934 3.374
190 HE2 MET 26 HE2 MET 26 1.472 -2.167 3.661
191 HE3 MET 26 HE3 MET 26 1.795 -0.487 4.078
192 H CYS 27 H CYS 27 -1.998 -3.996 1.866
193 HA CYS 27 HA CYS 27 -4.162 -2.249 2.655
194 HB2 CYS 27 HB2 CYS 27 -2.991 -2.705 -0.109
195 HB3 CYS 27 HB3 CYS 27 -4.057 -1.376 0.386
196 H SER 28 H SER 28 -4.009 -5.444 1.403
197 HA SER 28 HA SER 28 -6.242 -5.374 -0.277
198 HB2 SER 28 HB2 SER 28 -6.341 -7.869 0.052
199 HB3 SER 28 HB3 SER 28 -4.796 -7.227 -0.517
200 HG SER 28 HG SER 28 -3.901 -8.031 1.179
201 HA PRO 29 HA PRO 29 -8.965 -6.811 3.557
202 HB2 PRO 29 HB2 PRO 29 -7.511 -5.260 5.642
203 HB3 PRO 29 HB3 PRO 29 -8.364 -6.811 5.782
204 HG2 PRO 29 HG2 PRO 29 -5.714 -6.777 5.745
205 HG3 PRO 29 HG3 PRO 29 -6.606 -8.017 4.824
206 HD2 PRO 29 HD2 PRO 29 -5.273 -5.506 3.829
207 HD3 PRO 29 HD3 PRO 29 -5.297 -7.136 3.109
208 H LEU 30 H LEU 30 -7.387 -3.781 3.037
209 HA LEU 30 HA LEU 30 -9.573 -2.138 3.963
210 HB2 LEU 30 HB2 LEU 30 -7.073 -1.530 3.945
211 HB3 LEU 30 HB3 LEU 30 -7.255 -1.323 2.194
212 HG LEU 30 HG LEU 30 -8.665 0.304 4.341
213 HD11 LEU 30 HD11 LEU 30 -6.397 0.940 2.461
214 HD12 LEU 30 HD12 LEU 30 -6.313 0.825 4.221
215 HD13 LEU 30 HD13 LEU 30 -7.235 2.125 3.462
216 HD21 LEU 30 HD21 LEU 30 -8.662 0.688 1.341
217 HD22 LEU 30 HD22 LEU 30 -9.461 1.714 2.534
218 HD23 LEU 30 HD23 LEU 30 -10.014 0.056 2.279
219 H GLU 31 H GLU 31 -8.046 -2.832 0.851
220 HA GLU 31 HA GLU 31 -10.005 -1.478 -0.687
221 HB2 GLU 31 HB2 GLU 31 -7.663 -1.842 -1.434
222 HB3 GLU 31 HB3 GLU 31 -8.000 -3.572 -1.572
223 HG2 GLU 31 HG2 GLU 31 -9.607 -3.153 -3.330
224 HG3 GLU 31 HG3 GLU 31 -9.385 -1.408 -3.159
225 H ARG 32 H ARG 32 -9.614 -4.821 0.286
226 HA ARG 32 HA ARG 32 -12.358 -5.329 -0.621
227 HB2 ARG 32 HB2 ARG 32 -10.003 -7.211 -1.017
228 HB3 ARG 32 HB3 ARG 32 -11.688 -7.661 -1.277
229 HG2 ARG 32 HG2 ARG 32 -10.297 -5.450 -2.814
230 HG3 ARG 32 HG3 ARG 32 -10.354 -7.123 -3.366
231 HD2 ARG 32 HD2 ARG 32 -12.632 -5.172 -3.047
232 HD3 ARG 32 HD3 ARG 32 -12.096 -6.017 -4.492
233 HE ARG 32 HE ARG 32 -12.813 -8.053 -2.892
234 HH11 ARG 32 HH11 ARG 32 -14.459 -5.105 -3.817
235 HH12 ARG 32 HH12 ARG 32 -16.041 -5.807 -3.714
236 HH21 ARG 32 HH21 ARG 32 -14.890 -8.978 -2.748
237 HH22 ARG 32 HH22 ARG 32 -16.289 -8.013 -3.108
238 H SER 33 H SER 33 -13.086 -5.114 1.459
239 HA SER 33 HA SER 33 -11.839 -6.550 3.634
240 HB2 SER 33 HB2 SER 33 -14.517 -5.132 3.700
241 HB3 SER 33 HB3 SER 33 -13.433 -5.468 5.052
242 HG SER 33 HG SER 33 -11.878 -4.105 3.765
Start of MODEL 7
1 HA ALA 1 HA ALA 1 -16.327 0.992 -1.115
2 HB1 ALA 1 HB1 ALA 1 -17.670 2.457 -2.543
3 HB2 ALA 1 HB2 ALA 1 -15.946 2.771 -2.738
4 HB3 ALA 1 HB3 ALA 1 -16.939 3.869 -1.781
5 H SER 2 H SER 2 -14.074 1.958 -1.626
6 HA SER 2 HA SER 2 -13.007 3.790 0.318
7 HB2 SER 2 HB2 SER 2 -11.420 2.035 1.296
8 HB3 SER 2 HB3 SER 2 -13.108 1.856 1.784
9 HG SER 2 HG SER 2 -11.927 0.464 -0.394
10 HA PRO 3 HA PRO 3 -10.662 2.843 -3.713
11 HB2 PRO 3 HB2 PRO 3 -11.097 5.193 -5.028
12 HB3 PRO 3 HB3 PRO 3 -12.155 3.773 -5.200
13 HG2 PRO 3 HG2 PRO 3 -12.518 6.247 -3.567
14 HG3 PRO 3 HG3 PRO 3 -13.718 5.317 -4.485
15 HD2 PRO 3 HD2 PRO 3 -13.412 5.156 -1.745
16 HD3 PRO 3 HD3 PRO 3 -14.040 3.806 -2.732
17 H GLN 4 H GLN 4 -10.899 6.109 -2.290
18 HA GLN 4 HA GLN 4 -8.245 6.814 -2.989
19 HB2 GLN 4 HB2 GLN 4 -10.195 8.034 -1.039
20 HB3 GLN 4 HB3 GLN 4 -8.601 8.712 -1.348
21 HG2 GLN 4 HG2 GLN 4 -10.483 8.207 -3.626
22 HG3 GLN 4 HG3 GLN 4 -10.652 9.653 -2.634
23 HE21 GLN 4 HE21 GLN 4 -7.492 8.314 -3.167
24 HE22 GLN 4 HE22 GLN 4 -6.939 9.547 -4.245
25 H GLN 5 H GLN 5 -9.706 5.549 -0.064
26 HA GLN 5 HA GLN 5 -7.455 5.752 1.610
27 HB2 GLN 5 HB2 GLN 5 -9.760 3.811 1.625
28 HB3 GLN 5 HB3 GLN 5 -8.520 3.821 2.863
29 HG2 GLN 5 HG2 GLN 5 -9.162 6.014 3.585
30 HG3 GLN 5 HG3 GLN 5 -10.265 6.196 2.224
31 HE21 GLN 5 HE21 GLN 5 -9.922 3.211 4.004
32 HE22 GLN 5 HE22 GLN 5 -11.488 3.247 4.739
33 H ALA 6 H ALA 6 -8.543 3.171 -0.540
34 HA ALA 6 HA ALA 6 -6.424 1.391 0.055
35 HB1 ALA 6 HB1 ALA 6 -7.080 0.198 -1.967
36 HB2 ALA 6 HB2 ALA 6 -8.094 1.558 -2.452
37 HB3 ALA 6 HB3 ALA 6 -8.494 0.632 -1.003
38 H LYS 7 H LYS 7 -6.863 3.888 -2.404
39 HA LYS 7 HA LYS 7 -4.494 3.331 -3.839
40 HB2 LYS 7 HB2 LYS 7 -6.443 4.735 -4.635
41 HB3 LYS 7 HB3 LYS 7 -5.853 6.023 -3.597
42 HG2 LYS 7 HG2 LYS 7 -5.121 6.439 -5.835
43 HG3 LYS 7 HG3 LYS 7 -3.708 5.997 -4.840
44 HD2 LYS 7 HD2 LYS 7 -3.772 3.718 -5.723
45 HD3 LYS 7 HD3 LYS 7 -5.235 4.084 -6.645
46 HE2 LYS 7 HE2 LYS 7 -2.495 5.293 -7.050
47 HE3 LYS 7 HE3 LYS 7 -3.297 4.145 -8.118
48 HZ1 LYS 7 HZ1 LYS 7 -4.172 6.923 -7.547
49 HZ2 LYS 7 HZ2 LYS 7 -5.027 5.821 -8.497
50 HZ3 LYS 7 HZ3 LYS 7 -3.502 6.354 -8.990
51 H TYR 8 H TYR 8 -5.211 5.432 -1.101
52 HA TYR 8 HA TYR 8 -2.680 6.650 -0.862
53 HB2 TYR 8 HB2 TYR 8 -4.697 7.481 0.299
54 HB3 TYR 8 HB3 TYR 8 -4.727 6.019 1.283
55 HD1 TYR 8 HD1 TYR 8 -3.467 5.858 3.256
56 HD2 TYR 8 HD2 TYR 8 -2.748 9.061 0.555
57 HE1 TYR 8 HE1 TYR 8 -2.053 6.948 4.942
58 HE2 TYR 8 HE2 TYR 8 -1.331 10.166 2.235
59 HH TYR 8 HH TYR 8 -0.942 10.193 4.584
60 H CYS 9 H CYS 9 -4.046 3.694 0.514
61 HA CYS 9 HA CYS 9 -1.912 2.990 2.189
62 HB2 CYS 9 HB2 CYS 9 -4.223 1.926 2.105
63 HB3 CYS 9 HB3 CYS 9 -3.672 1.024 0.687
64 H TYR 10 H TYR 10 -2.553 2.165 -1.200
65 HA TYR 10 HA TYR 10 -0.191 0.603 -1.501
66 HB2 TYR 10 HB2 TYR 10 -2.213 1.713 -3.441
67 HB3 TYR 10 HB3 TYR 10 -0.738 0.917 -4.006
68 HD1 TYR 10 HD1 TYR 10 -4.067 0.430 -2.680
69 HD2 TYR 10 HD2 TYR 10 -0.301 -1.439 -3.324
70 HE1 TYR 10 HE1 TYR 10 -5.116 -1.771 -2.424
71 HE2 TYR 10 HE2 TYR 10 -1.341 -3.635 -3.070
72 HH TYR 10 HH TYR 10 -4.683 -4.113 -3.122
73 H GLU 11 H GLU 11 -0.979 3.992 -2.219
74 HA GLU 11 HA GLU 11 1.378 4.516 -3.673
75 HB2 GLU 11 HB2 GLU 11 -0.624 6.014 -3.690
76 HB3 GLU 11 HB3 GLU 11 -0.222 6.507 -2.029
77 HG2 GLU 11 HG2 GLU 11 2.009 7.267 -2.913
78 HG3 GLU 11 HG3 GLU 11 1.364 6.991 -4.548
79 H GLN 12 H GLN 12 0.603 4.843 -0.210
80 HA GLN 12 HA GLN 12 3.068 6.076 0.430
81 HB2 GLN 12 HB2 GLN 12 0.982 4.698 2.116
82 HB3 GLN 12 HB3 GLN 12 2.437 5.401 2.807
83 HG2 GLN 12 HG2 GLN 12 0.681 7.028 1.036
84 HG3 GLN 12 HG3 GLN 12 0.258 6.773 2.724
85 HE21 GLN 12 HE21 GLN 12 3.584 6.918 1.750
86 HE22 GLN 12 HE22 GLN 12 3.923 8.469 2.436
87 H CYS 13 H CYS 13 2.157 2.804 -0.109
88 HA CYS 13 HA CYS 13 4.112 1.513 1.398
89 HB2 CYS 13 HB2 CYS 13 2.701 0.735 -1.150
90 HB3 CYS 13 HB3 CYS 13 3.960 -0.286 -0.448
91 H ASN 14 H ASN 14 4.315 2.613 -2.022
92 HA ASN 14 HA ASN 14 7.093 1.865 -2.118
93 HB2 ASN 14 HB2 ASN 14 7.084 2.930 -4.366
94 HB3 ASN 14 HB3 ASN 14 5.814 1.733 -4.162
95 HD21 ASN 14 HD21 ASN 14 6.466 5.207 -4.362
96 HD22 ASN 14 HD22 ASN 14 4.836 5.654 -4.744
97 H VAL 15 H VAL 15 5.297 4.765 -1.415
98 HA VAL 15 HA VAL 15 7.391 6.624 -1.627
99 HB VAL 15 HB VAL 15 4.985 6.647 0.208
100 HG11 VAL 15 HG11 VAL 15 6.925 8.881 -0.409
101 HG12 VAL 15 HG12 VAL 15 6.754 8.055 1.139
102 HG13 VAL 15 HG13 VAL 15 5.434 9.045 0.516
103 HG21 VAL 15 HG21 VAL 15 4.091 8.281 -1.398
104 HG22 VAL 15 HG22 VAL 15 4.426 6.734 -2.175
105 HG23 VAL 15 HG23 VAL 15 5.533 8.088 -2.393
106 H ASN 16 H ASN 16 6.314 4.597 1.101
107 HA ASN 16 HA ASN 16 8.432 5.629 2.781
108 HB2 ASN 16 HB2 ASN 16 6.516 3.312 3.225
109 HB3 ASN 16 HB3 ASN 16 7.608 3.986 4.442
110 HD21 ASN 16 HD21 ASN 16 4.690 3.816 4.544
111 HD22 ASN 16 HD22 ASN 16 4.128 5.445 4.702
112 H LYS 17 H LYS 17 7.682 2.184 2.297
113 HA LYS 17 HA LYS 17 9.639 1.503 0.512
114 HB2 LYS 17 HB2 LYS 17 11.257 2.293 2.228
115 HB3 LYS 17 HB3 LYS 17 10.652 1.035 3.319
116 HG2 LYS 17 HG2 LYS 17 11.416 -0.700 1.831
117 HG3 LYS 17 HG3 LYS 17 11.886 0.495 0.616
118 HD2 LYS 17 HD2 LYS 17 13.615 1.370 2.017
119 HD3 LYS 17 HD3 LYS 17 13.078 0.399 3.406
120 HE2 LYS 17 HE2 LYS 17 14.192 -0.665 0.798
121 HE3 LYS 17 HE3 LYS 17 15.058 -0.576 2.331
122 HZ1 LYS 17 HZ1 LYS 17 13.416 -2.087 3.286
123 HZ2 LYS 17 HZ2 LYS 17 14.198 -2.787 1.960
124 HZ3 LYS 17 HZ3 LYS 17 12.626 -2.195 1.793
125 H VAL 18 H VAL 18 7.768 0.126 -0.007
126 HA VAL 18 HA VAL 18 8.110 -2.470 1.171
127 HB VAL 18 HB VAL 18 6.488 -2.394 2.721
128 HG11 VAL 18 HG11 VAL 18 6.511 0.021 2.771
129 HG12 VAL 18 HG12 VAL 18 4.856 -0.569 2.945
130 HG13 VAL 18 HG13 VAL 18 5.407 0.086 1.402
131 HG21 VAL 18 HG21 VAL 18 5.303 -3.629 0.962
132 HG22 VAL 18 HG22 VAL 18 4.604 -2.122 0.376
133 HG23 VAL 18 HG23 VAL 18 4.183 -2.721 1.982
134 HA PRO 19 HA PRO 19 7.297 -3.575 -3.063
135 HB2 PRO 19 HB2 PRO 19 6.732 -6.217 -1.838
136 HB3 PRO 19 HB3 PRO 19 7.887 -5.794 -3.114
137 HG2 PRO 19 HG2 PRO 19 8.735 -6.370 -0.657
138 HG3 PRO 19 HG3 PRO 19 9.497 -5.089 -1.620
139 HD2 PRO 19 HD2 PRO 19 7.561 -4.840 0.658
140 HD3 PRO 19 HD3 PRO 19 8.984 -3.851 0.246
141 H PHE 20 H PHE 20 5.559 -4.165 -4.376
142 HA PHE 20 HA PHE 20 3.024 -3.385 -3.506
143 HB2 PHE 20 HB2 PHE 20 3.799 -3.329 -5.873
144 HB3 PHE 20 HB3 PHE 20 3.653 -5.081 -5.928
145 HD1 PHE 20 HD1 PHE 20 1.822 -1.919 -5.761
146 HD2 PHE 20 HD2 PHE 20 1.505 -6.152 -6.064
147 HE1 PHE 20 HE1 PHE 20 -0.538 -1.691 -6.418
148 HE2 PHE 20 HE2 PHE 20 -0.855 -5.932 -6.725
149 HZ PHE 20 HZ PHE 20 -1.880 -3.700 -6.902
150 H ASP 21 H ASP 21 4.407 -6.629 -3.856
151 HA ASP 21 HA ASP 21 1.974 -8.018 -3.492
152 HB2 ASP 21 HB2 ASP 21 3.357 -10.002 -3.044
153 HB3 ASP 21 HB3 ASP 21 3.892 -9.143 -4.482
154 H GLN 22 H GLN 22 4.500 -7.073 -1.173
155 HA GLN 22 HA GLN 22 3.132 -8.084 1.100
156 HB2 GLN 22 HB2 GLN 22 5.487 -7.678 1.262
157 HB3 GLN 22 HB3 GLN 22 5.292 -5.990 0.809
158 HG2 GLN 22 HG2 GLN 22 5.695 -6.131 3.157
159 HG3 GLN 22 HG3 GLN 22 4.023 -5.618 2.894
160 HE21 GLN 22 HE21 GLN 22 6.099 -8.175 4.001
161 HE22 GLN 22 HE22 GLN 22 4.862 -9.101 4.784
162 H CYS 23 H CYS 23 3.127 -4.977 -0.585
163 HA CYS 23 HA CYS 23 1.546 -3.555 1.258
164 HB2 CYS 23 HB2 CYS 23 2.720 -2.602 -0.816
165 HB3 CYS 23 HB3 CYS 23 1.337 -3.196 -1.736
166 H TYR 24 H TYR 24 0.650 -5.636 -1.465
167 HA TYR 24 HA TYR 24 -2.122 -5.423 -1.259
168 HB2 TYR 24 HB2 TYR 24 -0.920 -6.633 -3.107
169 HB3 TYR 24 HB3 TYR 24 -0.576 -7.941 -1.963
170 HD1 TYR 24 HD1 TYR 24 -3.218 -6.231 -3.866
171 HD2 TYR 24 HD2 TYR 24 -2.290 -9.490 -1.302
172 HE1 TYR 24 HE1 TYR 24 -5.387 -7.256 -4.391
173 HE2 TYR 24 HE2 TYR 24 -4.450 -10.526 -1.821
174 HH TYR 24 HH TYR 24 -6.427 -9.484 -4.380
175 H GLN 25 H GLN 25 0.176 -7.223 0.674
176 HA GLN 25 HA GLN 25 -1.711 -9.020 1.828
177 HB2 GLN 25 HB2 GLN 25 1.020 -8.111 2.795
178 HB3 GLN 25 HB3 GLN 25 0.075 -9.352 3.597
179 HG2 GLN 25 HG2 GLN 25 0.210 -10.765 1.586
180 HG3 GLN 25 HG3 GLN 25 1.143 -9.519 0.763
181 HE21 GLN 25 HE21 GLN 25 2.916 -10.814 0.475
182 HE22 GLN 25 HE22 GLN 25 3.954 -11.283 1.779
183 H MET 26 H MET 26 -0.555 -5.823 2.649
184 HA MET 26 HA MET 26 -1.980 -5.840 5.174
185 HB2 MET 26 HB2 MET 26 0.159 -4.809 5.255
186 HB3 MET 26 HB3 MET 26 -0.171 -3.867 3.812
187 HG2 MET 26 HG2 MET 26 -1.866 -2.581 5.067
188 HG3 MET 26 HG3 MET 26 -1.442 -3.489 6.518
189 HE1 MET 26 HE1 MET 26 1.279 -2.397 3.835
190 HE2 MET 26 HE2 MET 26 1.586 -0.742 4.351
191 HE3 MET 26 HE3 MET 26 0.014 -1.179 3.683
192 H CYS 27 H CYS 27 -2.180 -4.166 2.040
193 HA CYS 27 HA CYS 27 -4.351 -2.506 2.969
194 HB2 CYS 27 HB2 CYS 27 -3.298 -2.809 0.136
195 HB3 CYS 27 HB3 CYS 27 -4.319 -1.500 0.764
196 H SER 28 H SER 28 -4.205 -5.647 1.554
197 HA SER 28 HA SER 28 -6.500 -5.580 -0.020
198 HB2 SER 28 HB2 SER 28 -6.625 -8.097 0.411
199 HB3 SER 28 HB3 SER 28 -5.153 -7.470 -0.342
200 HG SER 28 HG SER 28 -4.037 -7.910 1.420
201 HA PRO 29 HA PRO 29 -9.102 -7.045 3.916
202 HB2 PRO 29 HB2 PRO 29 -7.540 -5.448 5.898
203 HB3 PRO 29 HB3 PRO 29 -8.428 -6.968 6.129
204 HG2 PRO 29 HG2 PRO 29 -5.790 -7.027 5.967
205 HG3 PRO 29 HG3 PRO 29 -6.758 -8.255 5.108
206 HD2 PRO 29 HD2 PRO 29 -5.378 -5.815 4.011
207 HD3 PRO 29 HD3 PRO 29 -5.515 -7.449 3.314
208 H LEU 30 H LEU 30 -7.505 -3.963 3.547
209 HA LEU 30 HA LEU 30 -9.648 -2.315 4.458
210 HB2 LEU 30 HB2 LEU 30 -7.152 -1.717 4.221
211 HB3 LEU 30 HB3 LEU 30 -7.477 -1.554 2.487
212 HG LEU 30 HG LEU 30 -8.677 0.139 4.709
213 HD11 LEU 30 HD11 LEU 30 -6.627 0.739 2.576
214 HD12 LEU 30 HD12 LEU 30 -6.336 0.628 4.311
215 HD13 LEU 30 HD13 LEU 30 -7.335 1.930 3.667
216 HD21 LEU 30 HD21 LEU 30 -8.983 0.429 1.712
217 HD22 LEU 30 HD22 LEU 30 -9.646 1.502 2.947
218 HD23 LEU 30 HD23 LEU 30 -10.235 -0.157 2.809
219 H GLU 31 H GLU 31 -8.418 -3.220 1.277
220 HA GLU 31 HA GLU 31 -10.411 -1.761 -0.147
221 HB2 GLU 31 HB2 GLU 31 -8.037 -2.373 -0.917
222 HB3 GLU 31 HB3 GLU 31 -8.697 -3.975 -1.276
223 HG2 GLU 31 HG2 GLU 31 -9.741 -1.413 -2.495
224 HG3 GLU 31 HG3 GLU 31 -8.510 -2.437 -3.240
225 H ARG 32 H ARG 32 -9.927 -5.234 0.516
226 HA ARG 32 HA ARG 32 -12.778 -5.635 0.062
227 HB2 ARG 32 HB2 ARG 32 -11.442 -6.023 -2.120
228 HB3 ARG 32 HB3 ARG 32 -10.765 -7.434 -1.301
229 HG2 ARG 32 HG2 ARG 32 -12.560 -8.206 -2.679
230 HG3 ARG 32 HG3 ARG 32 -13.099 -8.302 -1.001
231 HD2 ARG 32 HD2 ARG 32 -14.643 -7.305 -2.889
232 HD3 ARG 32 HD3 ARG 32 -14.656 -6.634 -1.263
233 HE ARG 32 HE ARG 32 -12.764 -5.161 -2.549
234 HH11 ARG 32 HH11 ARG 32 -16.098 -5.937 -3.289
235 HH12 ARG 32 HH12 ARG 32 -16.387 -4.441 -4.115
236 HH21 ARG 32 HH21 ARG 32 -13.130 -3.206 -3.623
237 HH22 ARG 32 HH22 ARG 32 -14.702 -2.883 -4.304
238 H SER 33 H SER 33 -13.592 -6.937 1.578
239 HA SER 33 HA SER 33 -11.934 -9.027 2.754
240 HB2 SER 33 HB2 SER 33 -11.592 -6.888 4.104
241 HB3 SER 33 HB3 SER 33 -13.296 -6.994 4.544
242 HG SER 33 HG SER 33 -12.894 -8.660 5.805
Start of MODEL 8
1 HA ALA 1 HA ALA 1 -17.085 3.253 -0.406
2 HB1 ALA 1 HB1 ALA 1 -18.654 4.875 0.459
3 HB2 ALA 1 HB2 ALA 1 -18.196 4.474 2.114
4 HB3 ALA 1 HB3 ALA 1 -19.026 3.280 1.117
5 H SER 2 H SER 2 -14.527 3.414 -0.022
6 HA SER 2 HA SER 2 -13.930 6.210 -0.159
7 HB2 SER 2 HB2 SER 2 -13.987 5.786 2.360
8 HB3 SER 2 HB3 SER 2 -12.615 4.703 2.126
9 HG SER 2 HG SER 2 -12.747 7.491 1.919
10 HA PRO 3 HA PRO 3 -11.346 3.070 -2.565
11 HB2 PRO 3 HB2 PRO 3 -11.798 5.241 -4.564
12 HB3 PRO 3 HB3 PRO 3 -11.803 3.476 -4.790
13 HG2 PRO 3 HG2 PRO 3 -14.090 4.791 -4.748
14 HG3 PRO 3 HG3 PRO 3 -13.935 3.246 -3.885
15 HD2 PRO 3 HD2 PRO 3 -13.910 6.041 -2.744
16 HD3 PRO 3 HD3 PRO 3 -14.692 4.558 -2.115
17 H GLN 4 H GLN 4 -11.197 6.527 -2.015
18 HA GLN 4 HA GLN 4 -8.580 6.909 -3.016
19 HB2 GLN 4 HB2 GLN 4 -10.192 8.748 -2.750
20 HB3 GLN 4 HB3 GLN 4 -10.123 8.550 -1.003
21 HG2 GLN 4 HG2 GLN 4 -8.699 10.340 -1.360
22 HG3 GLN 4 HG3 GLN 4 -7.588 8.973 -1.295
23 HE21 GLN 4 HE21 GLN 4 -8.416 8.098 -4.041
24 HE22 GLN 4 HE22 GLN 4 -7.610 9.195 -5.108
25 H GLN 5 H GLN 5 -9.857 6.145 0.189
26 HA GLN 5 HA GLN 5 -7.393 6.455 1.543
27 HB2 GLN 5 HB2 GLN 5 -8.414 5.585 3.442
28 HB3 GLN 5 HB3 GLN 5 -9.772 6.255 2.556
29 HG2 GLN 5 HG2 GLN 5 -10.333 4.020 1.729
30 HG3 GLN 5 HG3 GLN 5 -8.967 3.356 2.621
31 HE21 GLN 5 HE21 GLN 5 -11.004 5.924 3.847
32 HE22 GLN 5 HE22 GLN 5 -11.749 4.994 5.105
33 H ALA 6 H ALA 6 -8.852 3.837 -0.201
34 HA ALA 6 HA ALA 6 -6.924 1.859 0.458
35 HB1 ALA 6 HB1 ALA 6 -8.757 2.105 -1.922
36 HB2 ALA 6 HB2 ALA 6 -9.029 1.151 -0.464
37 HB3 ALA 6 HB3 ALA 6 -7.746 0.704 -1.589
38 H LYS 7 H LYS 7 -7.232 4.163 -2.220
39 HA LYS 7 HA LYS 7 -4.926 3.364 -3.615
40 HB2 LYS 7 HB2 LYS 7 -6.575 4.812 -4.667
41 HB3 LYS 7 HB3 LYS 7 -6.259 6.078 -3.488
42 HG2 LYS 7 HG2 LYS 7 -5.193 6.567 -5.622
43 HG3 LYS 7 HG3 LYS 7 -3.991 6.339 -4.326
44 HD2 LYS 7 HD2 LYS 7 -3.651 4.001 -5.107
45 HD3 LYS 7 HD3 LYS 7 -4.783 4.293 -6.432
46 HE2 LYS 7 HE2 LYS 7 -2.147 5.705 -5.969
47 HE3 LYS 7 HE3 LYS 7 -2.486 4.518 -7.229
48 HZ1 LYS 7 HZ1 LYS 7 -4.091 6.050 -8.185
49 HZ2 LYS 7 HZ2 LYS 7 -2.566 6.771 -8.082
50 HZ3 LYS 7 HZ3 LYS 7 -3.770 7.186 -6.973
51 H TYR 8 H TYR 8 -5.398 5.631 -0.957
52 HA TYR 8 HA TYR 8 -2.803 6.702 -0.881
53 HB2 TYR 8 HB2 TYR 8 -4.834 7.534 0.388
54 HB3 TYR 8 HB3 TYR 8 -4.571 6.204 1.520
55 HD1 TYR 8 HD1 TYR 8 -3.068 9.288 0.146
56 HD2 TYR 8 HD2 TYR 8 -2.964 6.380 3.246
57 HE1 TYR 8 HE1 TYR 8 -1.510 10.707 1.413
58 HE2 TYR 8 HE2 TYR 8 -1.407 7.787 4.524
59 HH TYR 8 HH TYR 8 -0.702 11.055 3.599
60 H CYS 9 H CYS 9 -4.188 3.792 0.526
61 HA CYS 9 HA CYS 9 -1.964 3.000 2.074
62 HB2 CYS 9 HB2 CYS 9 -4.291 2.050 2.255
63 HB3 CYS 9 HB3 CYS 9 -4.006 1.171 0.747
64 H TYR 10 H TYR 10 -2.948 2.140 -1.230
65 HA TYR 10 HA TYR 10 -0.679 0.478 -1.724
66 HB2 TYR 10 HB2 TYR 10 -2.760 1.710 -3.547
67 HB3 TYR 10 HB3 TYR 10 -1.436 0.713 -4.150
68 HD1 TYR 10 HD1 TYR 10 -4.684 0.722 -2.526
69 HD2 TYR 10 HD2 TYR 10 -1.305 -1.674 -3.507
70 HE1 TYR 10 HE1 TYR 10 -6.016 -1.298 -2.165
71 HE2 TYR 10 HE2 TYR 10 -2.636 -3.699 -3.142
72 HH TYR 10 HH TYR 10 -6.020 -3.658 -2.863
73 H GLU 11 H GLU 11 -1.228 3.882 -1.957
74 HA GLU 11 HA GLU 11 0.907 4.337 -3.827
75 HB2 GLU 11 HB2 GLU 11 -1.258 5.743 -3.477
76 HB3 GLU 11 HB3 GLU 11 -0.373 6.479 -2.128
77 HG2 GLU 11 HG2 GLU 11 0.549 6.469 -5.005
78 HG3 GLU 11 HG3 GLU 11 -0.321 7.796 -4.213
79 H GLN 12 H GLN 12 0.415 4.909 -0.325
80 HA GLN 12 HA GLN 12 3.033 6.068 -0.067
81 HB2 GLN 12 HB2 GLN 12 0.981 5.315 2.020
82 HB3 GLN 12 HB3 GLN 12 2.476 6.171 2.344
83 HG2 GLN 12 HG2 GLN 12 0.528 7.211 0.351
84 HG3 GLN 12 HG3 GLN 12 0.321 7.506 2.071
85 HE21 GLN 12 HE21 GLN 12 2.194 8.195 -0.750
86 HE22 GLN 12 HE22 GLN 12 3.116 9.497 -0.056
87 H CYS 13 H CYS 13 1.782 2.878 0.098
88 HA CYS 13 HA CYS 13 3.437 1.761 2.068
89 HB2 CYS 13 HB2 CYS 13 2.921 -0.408 1.005
90 HB3 CYS 13 HB3 CYS 13 1.467 0.592 1.125
91 H ASN 14 H ASN 14 3.900 1.809 -1.474
92 HA ASN 14 HA ASN 14 6.563 0.781 -1.268
93 HB2 ASN 14 HB2 ASN 14 6.740 1.282 -3.677
94 HB3 ASN 14 HB3 ASN 14 5.270 0.394 -3.307
95 HD21 ASN 14 HD21 ASN 14 3.232 1.525 -3.470
96 HD22 ASN 14 HD22 ASN 14 3.122 3.017 -4.339
97 H VAL 15 H VAL 15 5.166 3.970 -1.282
98 HA VAL 15 HA VAL 15 7.469 5.451 -1.912
99 HB VAL 15 HB VAL 15 5.049 6.196 -0.263
100 HG11 VAL 15 HG11 VAL 15 6.930 7.570 0.466
101 HG12 VAL 15 HG12 VAL 15 5.793 8.533 -0.477
102 HG13 VAL 15 HG13 VAL 15 7.298 7.979 -1.210
103 HG21 VAL 15 HG21 VAL 15 5.897 6.966 -3.059
104 HG22 VAL 15 HG22 VAL 15 4.423 7.478 -2.240
105 HG23 VAL 15 HG23 VAL 15 4.656 5.782 -2.655
106 H ASN 16 H ASN 16 6.207 4.261 1.198
107 HA ASN 16 HA ASN 16 8.342 5.380 2.725
108 HB2 ASN 16 HB2 ASN 16 6.520 3.019 3.312
109 HB3 ASN 16 HB3 ASN 16 7.670 3.702 4.465
110 HD21 ASN 16 HD21 ASN 16 7.177 6.440 3.547
111 HD22 ASN 16 HD22 ASN 16 5.636 6.876 4.204
112 H LYS 17 H LYS 17 7.791 1.887 2.390
113 HA LYS 17 HA LYS 17 9.739 1.321 0.537
114 HB2 LYS 17 HB2 LYS 17 11.359 2.146 2.235
115 HB3 LYS 17 HB3 LYS 17 10.807 0.870 3.331
116 HG2 LYS 17 HG2 LYS 17 11.618 -0.842 1.835
117 HG3 LYS 17 HG3 LYS 17 12.037 0.370 0.618
118 HD2 LYS 17 HD2 LYS 17 13.718 1.333 2.043
119 HD3 LYS 17 HD3 LYS 17 13.251 0.283 3.399
120 HE2 LYS 17 HE2 LYS 17 13.926 -1.681 2.061
121 HE3 LYS 17 HE3 LYS 17 14.415 -0.610 0.750
122 HZ1 LYS 17 HZ1 LYS 17 16.309 -1.279 2.074
123 HZ2 LYS 17 HZ2 LYS 17 15.591 -0.660 3.474
124 HZ3 LYS 17 HZ3 LYS 17 16.052 0.385 2.231
125 H VAL 18 H VAL 18 7.881 -0.099 0.052
126 HA VAL 18 HA VAL 18 8.330 -2.662 1.368
127 HB VAL 18 HB VAL 18 6.148 -3.186 1.936
128 HG11 VAL 18 HG11 VAL 18 6.946 -1.406 3.419
129 HG12 VAL 18 HG12 VAL 18 5.190 -1.410 3.265
130 HG13 VAL 18 HG13 VAL 18 6.146 -0.203 2.403
131 HG21 VAL 18 HG21 VAL 18 5.150 -0.983 0.141
132 HG22 VAL 18 HG22 VAL 18 4.142 -2.082 1.086
133 HG23 VAL 18 HG23 VAL 18 5.159 -2.712 -0.212
134 HA PRO 19 HA PRO 19 7.991 -4.115 -2.862
135 HB2 PRO 19 HB2 PRO 19 7.123 -6.666 -1.669
136 HB3 PRO 19 HB3 PRO 19 8.536 -6.329 -2.686
137 HG2 PRO 19 HG2 PRO 19 8.784 -6.867 -0.064
138 HG3 PRO 19 HG3 PRO 19 9.853 -5.727 -0.905
139 HD2 PRO 19 HD2 PRO 19 7.529 -5.151 0.902
140 HD3 PRO 19 HD3 PRO 19 9.097 -4.323 0.756
141 H PHE 20 H PHE 20 6.309 -4.767 -4.341
142 HA PHE 20 HA PHE 20 3.787 -3.732 -3.776
143 HB2 PHE 20 HB2 PHE 20 4.614 -4.072 -6.078
144 HB3 PHE 20 HB3 PHE 20 4.452 -5.813 -5.876
145 HD1 PHE 20 HD1 PHE 20 2.599 -2.642 -6.111
146 HD2 PHE 20 HD2 PHE 20 2.337 -6.889 -6.085
147 HE1 PHE 20 HE1 PHE 20 0.262 -2.500 -6.866
148 HE2 PHE 20 HE2 PHE 20 0.001 -6.754 -6.843
149 HZ PHE 20 HZ PHE 20 -1.040 -4.557 -7.233
150 H ASP 21 H ASP 21 4.866 -7.119 -3.668
151 HA ASP 21 HA ASP 21 2.364 -8.258 -3.138
152 HB2 ASP 21 HB2 ASP 21 3.619 -10.185 -2.213
153 HB3 ASP 21 HB3 ASP 21 4.229 -9.669 -3.781
154 H GLN 22 H GLN 22 4.806 -6.945 -0.942
155 HA GLN 22 HA GLN 22 3.482 -7.557 1.473
156 HB2 GLN 22 HB2 GLN 22 5.836 -6.897 1.398
157 HB3 GLN 22 HB3 GLN 22 5.386 -5.298 0.814
158 HG2 GLN 22 HG2 GLN 22 5.839 -5.046 3.095
159 HG3 GLN 22 HG3 GLN 22 4.076 -5.022 2.951
160 HE21 GLN 22 HE21 GLN 22 5.779 -5.644 5.238
161 HE22 GLN 22 HE22 GLN 22 5.330 -7.236 5.746
162 H CYS 23 H CYS 23 3.366 -4.757 -0.687
163 HA CYS 23 HA CYS 23 1.645 -3.148 0.868
164 HB2 CYS 23 HB2 CYS 23 2.898 -2.395 -1.214
165 HB3 CYS 23 HB3 CYS 23 1.682 -3.253 -2.164
166 H TYR 24 H TYR 24 1.007 -5.611 -1.561
167 HA TYR 24 HA TYR 24 -1.796 -5.402 -1.567
168 HB2 TYR 24 HB2 TYR 24 -0.272 -6.651 -3.225
169 HB3 TYR 24 HB3 TYR 24 -0.274 -7.968 -2.040
170 HD1 TYR 24 HD1 TYR 24 -2.403 -9.138 -1.508
171 HD2 TYR 24 HD2 TYR 24 -2.134 -6.256 -4.623
172 HE1 TYR 24 HE1 TYR 24 -4.504 -9.977 -2.460
173 HE2 TYR 24 HE2 TYR 24 -4.234 -7.084 -5.581
174 HH TYR 24 HH TYR 24 -6.329 -9.161 -3.908
175 H GLN 25 H GLN 25 0.414 -6.894 0.674
176 HA GLN 25 HA GLN 25 -1.506 -8.746 1.739
177 HB2 GLN 25 HB2 GLN 25 1.145 -7.785 2.859
178 HB3 GLN 25 HB3 GLN 25 0.155 -9.017 3.623
179 HG2 GLN 25 HG2 GLN 25 0.400 -10.394 1.526
180 HG3 GLN 25 HG3 GLN 25 1.557 -9.199 0.947
181 HE21 GLN 25 HE21 GLN 25 3.279 -10.569 0.920
182 HE22 GLN 25 HE22 GLN 25 4.008 -11.201 2.359
183 H MET 26 H MET 26 -0.431 -5.500 2.573
184 HA MET 26 HA MET 26 -1.967 -5.533 5.033
185 HB2 MET 26 HB2 MET 26 -0.408 -3.322 3.698
186 HB3 MET 26 HB3 MET 26 -1.188 -3.177 5.263
187 HG2 MET 26 HG2 MET 26 0.286 -4.988 6.113
188 HG3 MET 26 HG3 MET 26 1.113 -5.003 4.554
189 HE1 MET 26 HE1 MET 26 2.509 -1.255 4.537
190 HE2 MET 26 HE2 MET 26 0.938 -1.787 3.939
191 HE3 MET 26 HE3 MET 26 2.383 -2.733 3.588
192 H CYS 27 H CYS 27 -2.196 -4.010 1.837
193 HA CYS 27 HA CYS 27 -4.482 -2.458 2.690
194 HB2 CYS 27 HB2 CYS 27 -3.371 -2.723 -0.120
195 HB3 CYS 27 HB3 CYS 27 -4.436 -1.452 0.507
196 H SER 28 H SER 28 -4.115 -5.627 1.441
197 HA SER 28 HA SER 28 -6.387 -5.755 -0.191
198 HB2 SER 28 HB2 SER 28 -6.322 -8.273 0.358
199 HB3 SER 28 HB3 SER 28 -4.950 -7.550 -0.493
200 HG SER 28 HG SER 28 -3.713 -7.911 1.169
201 HA PRO 29 HA PRO 29 -8.957 -7.261 3.698
202 HB2 PRO 29 HB2 PRO 29 -7.489 -5.722 5.781
203 HB3 PRO 29 HB3 PRO 29 -8.296 -7.299 5.906
204 HG2 PRO 29 HG2 PRO 29 -5.646 -7.185 5.806
205 HG3 PRO 29 HG3 PRO 29 -6.522 -8.435 4.886
206 HD2 PRO 29 HD2 PRO 29 -5.292 -5.867 3.903
207 HD3 PRO 29 HD3 PRO 29 -5.285 -7.485 3.155
208 H LEU 30 H LEU 30 -7.438 -4.206 3.185
209 HA LEU 30 HA LEU 30 -9.608 -2.608 4.214
210 HB2 LEU 30 HB2 LEU 30 -7.094 -1.990 4.101
211 HB3 LEU 30 HB3 LEU 30 -7.390 -1.684 2.382
212 HG LEU 30 HG LEU 30 -8.644 -0.211 4.724
213 HD11 LEU 30 HD11 LEU 30 -7.354 1.695 3.819
214 HD12 LEU 30 HD12 LEU 30 -6.604 0.603 2.653
215 HD13 LEU 30 HD13 LEU 30 -6.324 0.378 4.380
216 HD21 LEU 30 HD21 LEU 30 -9.675 1.253 3.099
217 HD22 LEU 30 HD22 LEU 30 -10.191 -0.407 2.792
218 HD23 LEU 30 HD23 LEU 30 -8.964 0.339 1.768
219 H GLU 31 H GLU 31 -8.127 -3.017 1.023
220 HA GLU 31 HA GLU 31 -10.240 -1.668 -0.325
221 HB2 GLU 31 HB2 GLU 31 -7.908 -1.697 -1.160
222 HB3 GLU 31 HB3 GLU 31 -8.053 -3.434 -1.459
223 HG2 GLU 31 HG2 GLU 31 -9.848 -2.987 -3.079
224 HG3 GLU 31 HG3 GLU 31 -9.635 -1.250 -2.825
225 H ARG 32 H ARG 32 -9.503 -5.051 0.249
226 HA ARG 32 HA ARG 32 -10.578 -7.003 -0.278
227 HB2 ARG 32 HB2 ARG 32 -12.969 -5.149 -0.433
228 HB3 ARG 32 HB3 ARG 32 -13.080 -6.913 -0.466
229 HG2 ARG 32 HG2 ARG 32 -11.979 -6.923 1.816
230 HG3 ARG 32 HG3 ARG 32 -12.130 -5.166 1.823
231 HD2 ARG 32 HD2 ARG 32 -13.930 -6.318 3.055
232 HD3 ARG 32 HD3 ARG 32 -14.536 -5.320 1.739
233 HE ARG 32 HE ARG 32 -14.183 -7.937 0.790
234 HH11 ARG 32 HH11 ARG 32 -16.197 -6.177 3.044
235 HH12 ARG 32 HH12 ARG 32 -17.551 -7.243 2.865
236 HH21 ARG 32 HH21 ARG 32 -15.958 -9.357 0.573
237 HH22 ARG 32 HH22 ARG 32 -17.413 -9.059 1.468
238 H SER 33 H SER 33 -9.259 -6.894 -2.199
239 HA SER 33 HA SER 33 -10.233 -5.876 -4.661
240 HB2 SER 33 HB2 SER 33 -8.176 -8.078 -4.316
241 HB3 SER 33 HB3 SER 33 -8.329 -6.949 -5.661
242 HG SER 33 HG SER 33 -7.934 -5.260 -4.014
Start of MODEL 9
1 HA ALA 1 HA ALA 1 -16.999 2.915 -1.036
2 HB1 ALA 1 HB1 ALA 1 -17.565 4.539 -3.515
3 HB2 ALA 1 HB2 ALA 1 -18.024 2.857 -3.247
4 HB3 ALA 1 HB3 ALA 1 -16.320 3.299 -3.359
5 H SER 2 H SER 2 -14.720 3.558 -1.421
6 HA SER 2 HA SER 2 -14.119 6.389 -1.128
7 HB2 SER 2 HB2 SER 2 -13.491 4.404 1.087
8 HB3 SER 2 HB3 SER 2 -12.843 6.040 1.003
9 HG SER 2 HG SER 2 -15.475 6.202 0.701
10 HA PRO 3 HA PRO 3 -11.142 3.546 -3.464
11 HB2 PRO 3 HB2 PRO 3 -11.134 5.894 -5.286
12 HB3 PRO 3 HB3 PRO 3 -11.242 4.161 -5.667
13 HG2 PRO 3 HG2 PRO 3 -13.383 5.733 -5.857
14 HG3 PRO 3 HG3 PRO 3 -13.510 4.070 -5.244
15 HD2 PRO 3 HD2 PRO 3 -13.548 6.655 -3.692
16 HD3 PRO 3 HD3 PRO 3 -14.484 5.151 -3.431
17 H GLN 4 H GLN 4 -10.993 6.932 -2.510
18 HA GLN 4 HA GLN 4 -8.259 7.298 -3.122
19 HB2 GLN 4 HB2 GLN 4 -8.407 9.398 -2.112
20 HB3 GLN 4 HB3 GLN 4 -10.012 9.102 -2.754
21 HG2 GLN 4 HG2 GLN 4 -9.241 8.661 0.119
22 HG3 GLN 4 HG3 GLN 4 -9.979 10.138 -0.493
23 HE21 GLN 4 HE21 GLN 4 -10.994 8.353 1.528
24 HE22 GLN 4 HE22 GLN 4 -12.536 7.802 0.956
25 H GLN 5 H GLN 5 -9.902 6.104 -0.273
26 HA GLN 5 HA GLN 5 -7.643 6.280 1.433
27 HB2 GLN 5 HB2 GLN 5 -8.856 5.078 3.046
28 HB3 GLN 5 HB3 GLN 5 -10.056 6.021 2.183
29 HG2 GLN 5 HG2 GLN 5 -10.682 4.038 0.891
30 HG3 GLN 5 HG3 GLN 5 -9.473 3.098 1.761
31 HE21 GLN 5 HE21 GLN 5 -10.034 4.518 4.287
32 HE22 GLN 5 HE22 GLN 5 -11.531 3.861 4.860
33 H ALA 6 H ALA 6 -8.914 3.763 -0.644
34 HA ALA 6 HA ALA 6 -6.980 1.799 0.036
35 HB1 ALA 6 HB1 ALA 6 -7.647 0.729 -2.112
36 HB2 ALA 6 HB2 ALA 6 -8.667 2.126 -2.443
37 HB3 ALA 6 HB3 ALA 6 -9.004 1.099 -1.049
38 H LYS 7 H LYS 7 -7.179 4.257 -2.494
39 HA LYS 7 HA LYS 7 -4.781 3.596 -3.813
40 HB2 LYS 7 HB2 LYS 7 -6.617 5.107 -4.663
41 HB3 LYS 7 HB3 LYS 7 -6.013 6.346 -3.574
42 HG2 LYS 7 HG2 LYS 7 -5.239 6.663 -5.875
43 HG3 LYS 7 HG3 LYS 7 -3.891 6.400 -4.738
44 HD2 LYS 7 HD2 LYS 7 -3.549 4.183 -5.507
45 HD3 LYS 7 HD3 LYS 7 -5.118 4.127 -6.314
46 HE2 LYS 7 HE2 LYS 7 -2.796 5.878 -7.142
47 HE3 LYS 7 HE3 LYS 7 -3.239 4.355 -7.916
48 HZ1 LYS 7 HZ1 LYS 7 -4.931 6.797 -7.772
49 HZ2 LYS 7 HZ2 LYS 7 -5.392 5.331 -8.475
50 HZ3 LYS 7 HZ3 LYS 7 -4.121 6.223 -9.141
51 H TYR 8 H TYR 8 -5.484 5.491 -0.965
52 HA TYR 8 HA TYR 8 -2.950 6.713 -0.652
53 HB2 TYR 8 HB2 TYR 8 -5.043 7.429 0.515
54 HB3 TYR 8 HB3 TYR 8 -4.954 5.963 1.492
55 HD1 TYR 8 HD1 TYR 8 -3.362 9.205 0.804
56 HD2 TYR 8 HD2 TYR 8 -3.468 5.801 3.350
57 HE1 TYR 8 HE1 TYR 8 -1.981 10.399 2.449
58 HE2 TYR 8 HE2 TYR 8 -2.082 6.980 5.001
59 HH TYR 8 HH TYR 8 -0.421 8.875 4.993
60 H CYS 9 H CYS 9 -4.335 3.680 0.525
61 HA CYS 9 HA CYS 9 -2.177 2.886 2.146
62 HB2 CYS 9 HB2 CYS 9 -4.427 1.819 2.184
63 HB3 CYS 9 HB3 CYS 9 -4.094 1.094 0.603
64 H TYR 10 H TYR 10 -2.895 2.236 -1.264
65 HA TYR 10 HA TYR 10 -0.530 0.681 -1.672
66 HB2 TYR 10 HB2 TYR 10 -2.504 1.926 -3.603
67 HB3 TYR 10 HB3 TYR 10 -1.122 0.955 -4.118
68 HD1 TYR 10 HD1 TYR 10 -4.502 0.899 -2.844
69 HD2 TYR 10 HD2 TYR 10 -1.005 -1.452 -3.431
70 HE1 TYR 10 HE1 TYR 10 -5.841 -1.135 -2.635
71 HE2 TYR 10 HE2 TYR 10 -2.342 -3.498 -3.215
72 HH TYR 10 HH TYR 10 -5.783 -3.441 -3.259
73 H GLU 11 H GLU 11 -1.228 4.105 -1.824
74 HA GLU 11 HA GLU 11 1.014 4.678 -3.498
75 HB2 GLU 11 HB2 GLU 11 0.454 6.933 -3.352
76 HB3 GLU 11 HB3 GLU 11 -1.113 6.133 -3.153
77 HG2 GLU 11 HG2 GLU 11 -1.077 6.522 -0.800
78 HG3 GLU 11 HG3 GLU 11 0.596 7.117 -0.879
79 H GLN 12 H GLN 12 0.422 4.861 0.016
80 HA GLN 12 HA GLN 12 2.976 6.051 0.483
81 HB2 GLN 12 HB2 GLN 12 1.004 4.843 2.435
82 HB3 GLN 12 HB3 GLN 12 2.414 5.785 2.882
83 HG2 GLN 12 HG2 GLN 12 0.380 6.934 1.040
84 HG3 GLN 12 HG3 GLN 12 0.081 6.892 2.768
85 HE21 GLN 12 HE21 GLN 12 3.296 7.282 1.495
86 HE22 GLN 12 HE22 GLN 12 3.478 8.940 1.946
87 H CYS 13 H CYS 13 1.806 2.799 0.294
88 HA CYS 13 HA CYS 13 3.635 1.549 2.013
89 HB2 CYS 13 HB2 CYS 13 3.057 -0.525 0.862
90 HB3 CYS 13 HB3 CYS 13 1.597 0.446 1.078
91 H ASN 14 H ASN 14 3.842 1.891 -1.558
92 HA ASN 14 HA ASN 14 6.550 0.981 -1.553
93 HB2 ASN 14 HB2 ASN 14 6.579 1.670 -3.961
94 HB3 ASN 14 HB3 ASN 14 5.298 0.551 -3.534
95 HD21 ASN 14 HD21 ASN 14 5.341 4.087 -3.072
96 HD22 ASN 14 HD22 ASN 14 3.994 4.385 -4.119
97 H VAL 15 H VAL 15 5.078 4.102 -1.227
98 HA VAL 15 HA VAL 15 7.322 5.695 -1.830
99 HB VAL 15 HB VAL 15 4.960 6.174 -0.015
100 HG11 VAL 15 HG11 VAL 15 6.830 7.415 0.937
101 HG12 VAL 15 HG12 VAL 15 5.696 8.524 0.166
102 HG13 VAL 15 HG13 VAL 15 7.203 8.099 -0.644
103 HG21 VAL 15 HG21 VAL 15 4.524 6.188 -2.421
104 HG22 VAL 15 HG22 VAL 15 5.793 7.391 -2.652
105 HG23 VAL 15 HG23 VAL 15 4.343 7.804 -1.739
106 H ASN 16 H ASN 16 6.261 4.123 1.180
107 HA ASN 16 HA ASN 16 8.412 5.194 2.729
108 HB2 ASN 16 HB2 ASN 16 6.727 2.718 3.245
109 HB3 ASN 16 HB3 ASN 16 7.783 3.511 4.416
110 HD21 ASN 16 HD21 ASN 16 6.981 6.190 3.417
111 HD22 ASN 16 HD22 ASN 16 5.402 6.452 4.080
112 H LYS 17 H LYS 17 7.892 1.718 2.240
113 HA LYS 17 HA LYS 17 9.807 1.229 0.354
114 HB2 LYS 17 HB2 LYS 17 11.747 0.365 1.513
115 HB3 LYS 17 HB3 LYS 17 11.468 2.036 2.012
116 HG2 LYS 17 HG2 LYS 17 10.735 -0.418 3.621
117 HG3 LYS 17 HG3 LYS 17 12.181 0.566 3.860
118 HD2 LYS 17 HD2 LYS 17 10.846 2.486 4.467
119 HD3 LYS 17 HD3 LYS 17 9.338 1.623 4.092
120 HE2 LYS 17 HE2 LYS 17 9.994 -0.046 5.864
121 HE3 LYS 17 HE3 LYS 17 11.317 1.035 6.302
122 HZ1 LYS 17 HZ1 LYS 17 8.422 1.678 6.395
123 HZ2 LYS 17 HZ2 LYS 17 9.664 2.771 6.740
124 HZ3 LYS 17 HZ3 LYS 17 9.435 1.415 7.722
125 H VAL 18 H VAL 18 7.967 -0.182 -0.180
126 HA VAL 18 HA VAL 18 8.356 -2.773 1.110
127 HB VAL 18 HB VAL 18 6.164 -3.261 1.655
128 HG11 VAL 18 HG11 VAL 18 6.965 -1.550 3.185
129 HG12 VAL 18 HG12 VAL 18 5.215 -1.454 2.978
130 HG13 VAL 18 HG13 VAL 18 6.265 -0.291 2.167
131 HG21 VAL 18 HG21 VAL 18 4.186 -2.127 0.818
132 HG22 VAL 18 HG22 VAL 18 5.204 -2.722 -0.498
133 HG23 VAL 18 HG23 VAL 18 5.203 -1.004 -0.091
134 HA PRO 19 HA PRO 19 7.943 -4.218 -3.132
135 HB2 PRO 19 HB2 PRO 19 7.277 -6.798 -1.880
136 HB3 PRO 19 HB3 PRO 19 8.619 -6.393 -2.965
137 HG2 PRO 19 HG2 PRO 19 9.027 -6.905 -0.359
138 HG3 PRO 19 HG3 PRO 19 9.986 -5.708 -1.251
139 HD2 PRO 19 HD2 PRO 19 7.702 -5.256 0.647
140 HD3 PRO 19 HD3 PRO 19 9.227 -4.356 0.457
141 H PHE 20 H PHE 20 6.178 -5.012 -4.494
142 HA PHE 20 HA PHE 20 3.702 -3.969 -3.798
143 HB2 PHE 20 HB2 PHE 20 4.360 -4.462 -6.135
144 HB3 PHE 20 HB3 PHE 20 4.177 -6.182 -5.808
145 HD1 PHE 20 HD1 PHE 20 2.378 -2.984 -6.089
146 HD2 PHE 20 HD2 PHE 20 2.040 -7.216 -5.787
147 HE1 PHE 20 HE1 PHE 20 -0.012 -2.829 -6.655
148 HE2 PHE 20 HE2 PHE 20 -0.349 -7.069 -6.356
149 HZ PHE 20 HZ PHE 20 -1.378 -4.875 -6.789
150 H ASP 21 H ASP 21 4.822 -7.320 -3.493
151 HA ASP 21 HA ASP 21 2.362 -8.464 -2.795
152 HB2 ASP 21 HB2 ASP 21 3.596 -10.334 -1.907
153 HB3 ASP 21 HB3 ASP 21 4.398 -9.784 -3.372
154 H GLN 22 H GLN 22 4.841 -6.937 -0.772
155 HA GLN 22 HA GLN 22 3.552 -7.369 1.703
156 HB2 GLN 22 HB2 GLN 22 5.885 -6.712 1.612
157 HB3 GLN 22 HB3 GLN 22 5.456 -5.180 0.860
158 HG2 GLN 22 HG2 GLN 22 5.924 -4.835 3.187
159 HG3 GLN 22 HG3 GLN 22 4.203 -4.565 2.881
160 HE21 GLN 22 HE21 GLN 22 5.650 -7.743 3.075
161 HE22 GLN 22 HE22 GLN 22 4.892 -8.204 4.562
162 H CYS 23 H CYS 23 3.372 -4.755 -0.670
163 HA CYS 23 HA CYS 23 1.672 -3.054 0.814
164 HB2 CYS 23 HB2 CYS 23 2.892 -2.453 -1.358
165 HB3 CYS 23 HB3 CYS 23 1.609 -3.322 -2.204
166 H TYR 24 H TYR 24 1.006 -5.649 -1.477
167 HA TYR 24 HA TYR 24 -1.795 -5.497 -1.430
168 HB2 TYR 24 HB2 TYR 24 -0.341 -6.822 -3.045
169 HB3 TYR 24 HB3 TYR 24 -0.178 -8.035 -1.764
170 HD1 TYR 24 HD1 TYR 24 -2.396 -6.561 -4.250
171 HD2 TYR 24 HD2 TYR 24 -2.097 -9.397 -1.096
172 HE1 TYR 24 HE1 TYR 24 -4.477 -7.618 -5.014
173 HE2 TYR 24 HE2 TYR 24 -4.177 -10.461 -1.846
174 HH TYR 24 HH TYR 24 -6.165 -9.935 -3.137
175 H GLN 25 H GLN 25 0.487 -6.870 0.843
176 HA GLN 25 HA GLN 25 -1.394 -8.617 2.107
177 HB2 GLN 25 HB2 GLN 25 1.278 -7.541 3.041
178 HB3 GLN 25 HB3 GLN 25 0.300 -8.647 4.000
179 HG2 GLN 25 HG2 GLN 25 1.668 -9.188 1.361
180 HG3 GLN 25 HG3 GLN 25 1.897 -9.999 2.906
181 HE21 GLN 25 HE21 GLN 25 -0.073 -9.723 0.087
182 HE22 GLN 25 HE22 GLN 25 -1.047 -11.125 0.375
183 H MET 26 H MET 26 -0.309 -5.322 2.662
184 HA MET 26 HA MET 26 -1.785 -5.100 5.128
185 HB2 MET 26 HB2 MET 26 0.231 -3.875 5.076
186 HB3 MET 26 HB3 MET 26 -0.115 -3.226 3.482
187 HG2 MET 26 HG2 MET 26 -1.889 -1.831 4.423
188 HG3 MET 26 HG3 MET 26 -1.552 -2.485 6.026
189 HE1 MET 26 HE1 MET 26 0.077 -0.611 2.970
190 HE2 MET 26 HE2 MET 26 1.367 -1.724 3.433
191 HE3 MET 26 HE3 MET 26 1.565 0.008 3.686
192 H CYS 27 H CYS 27 -2.177 -4.012 1.785
193 HA CYS 27 HA CYS 27 -4.484 -2.416 2.504
194 HB2 CYS 27 HB2 CYS 27 -3.385 -2.998 -0.265
195 HB3 CYS 27 HB3 CYS 27 -4.518 -1.709 0.191
196 H SER 28 H SER 28 -4.024 -5.695 1.567
197 HA SER 28 HA SER 28 -6.311 -6.097 0.032
198 HB2 SER 28 HB2 SER 28 -6.156 -8.525 0.930
199 HB3 SER 28 HB3 SER 28 -4.840 -7.883 -0.061
200 HG SER 28 HG SER 28 -3.543 -7.952 1.597
201 HA PRO 29 HA PRO 29 -8.821 -7.178 4.076
202 HB2 PRO 29 HB2 PRO 29 -7.370 -5.483 6.037
203 HB3 PRO 29 HB3 PRO 29 -8.116 -7.080 6.261
204 HG2 PRO 29 HG2 PRO 29 -5.474 -6.870 6.125
205 HG3 PRO 29 HG3 PRO 29 -6.314 -8.207 5.298
206 HD2 PRO 29 HD2 PRO 29 -5.213 -5.651 4.133
207 HD3 PRO 29 HD3 PRO 29 -5.114 -7.318 3.506
208 H LEU 30 H LEU 30 -7.476 -4.231 3.046
209 HA LEU 30 HA LEU 30 -9.641 -2.589 4.100
210 HB2 LEU 30 HB2 LEU 30 -7.134 -1.916 3.953
211 HB3 LEU 30 HB3 LEU 30 -7.457 -1.686 2.227
212 HG LEU 30 HG LEU 30 -8.706 -0.156 4.535
213 HD11 LEU 30 HD11 LEU 30 -6.432 0.507 4.061
214 HD12 LEU 30 HD12 LEU 30 -7.543 1.752 3.486
215 HD13 LEU 30 HD13 LEU 30 -6.798 0.637 2.340
216 HD21 LEU 30 HD21 LEU 30 -9.859 1.188 2.885
217 HD22 LEU 30 HD22 LEU 30 -10.328 -0.504 2.692
218 HD23 LEU 30 HD23 LEU 30 -9.175 0.227 1.574
219 H GLU 31 H GLU 31 -8.116 -3.112 0.940
220 HA GLU 31 HA GLU 31 -10.272 -1.829 -0.423
221 HB2 GLU 31 HB2 GLU 31 -7.915 -1.703 -1.196
222 HB3 GLU 31 HB3 GLU 31 -7.972 -3.430 -1.572
223 HG2 GLU 31 HG2 GLU 31 -9.751 -2.993 -3.213
224 HG3 GLU 31 HG3 GLU 31 -9.633 -1.264 -2.873
225 H ARG 32 H ARG 32 -9.109 -5.205 -0.414
226 HA ARG 32 HA ARG 32 -11.761 -5.989 -1.414
227 HB2 ARG 32 HB2 ARG 32 -9.091 -7.032 -2.402
228 HB3 ARG 32 HB3 ARG 32 -10.642 -7.770 -2.799
229 HG2 ARG 32 HG2 ARG 32 -9.867 -4.929 -3.521
230 HG3 ARG 32 HG3 ARG 32 -9.683 -6.309 -4.601
231 HD2 ARG 32 HD2 ARG 32 -12.207 -5.011 -3.605
232 HD3 ARG 32 HD3 ARG 32 -11.687 -5.318 -5.255
233 HE ARG 32 HE ARG 32 -12.090 -7.720 -3.733
234 HH11 ARG 32 HH11 ARG 32 -13.626 -5.300 -5.732
235 HH12 ARG 32 HH12 ARG 32 -14.939 -6.332 -6.190
236 HH21 ARG 32 HH21 ARG 32 -13.813 -9.084 -4.330
237 HH22 ARG 32 HH22 ARG 32 -15.042 -8.491 -5.401
238 H SER 33 H SER 33 -12.331 -6.575 0.674
239 HA SER 33 HA SER 33 -11.059 -9.077 1.570
240 HB2 SER 33 HB2 SER 33 -11.908 -8.430 3.880
241 HB3 SER 33 HB3 SER 33 -10.611 -7.414 3.252
242 HG SER 33 HG SER 33 -13.336 -6.736 2.905
Start of MODEL 10
1 HA ALA 1 HA ALA 1 -16.155 1.481 -1.711
2 HB1 ALA 1 HB1 ALA 1 -17.094 0.905 1.097
3 HB2 ALA 1 HB2 ALA 1 -17.789 0.246 -0.382
4 HB3 ALA 1 HB3 ALA 1 -17.885 1.976 -0.056
5 H SER 2 H SER 2 -13.550 2.004 -1.097
6 HA SER 2 HA SER 2 -13.704 4.625 0.115
7 HB2 SER 2 HB2 SER 2 -13.397 2.936 2.058
8 HB3 SER 2 HB3 SER 2 -11.789 2.652 1.395
9 HG SER 2 HG SER 2 -12.121 5.270 1.561
10 HA PRO 3 HA PRO 3 -10.782 3.521 -3.482
11 HB2 PRO 3 HB2 PRO 3 -11.809 6.172 -4.373
12 HB3 PRO 3 HB3 PRO 3 -11.531 4.686 -5.309
13 HG2 PRO 3 HG2 PRO 3 -13.996 5.420 -4.645
14 HG3 PRO 3 HG3 PRO 3 -13.506 3.714 -4.612
15 HD2 PRO 3 HD2 PRO 3 -13.907 5.602 -2.301
16 HD3 PRO 3 HD3 PRO 3 -14.250 3.850 -2.418
17 H GLN 4 H GLN 4 -11.259 6.872 -2.311
18 HA GLN 4 HA GLN 4 -8.696 7.759 -2.936
19 HB2 GLN 4 HB2 GLN 4 -10.505 9.313 -2.466
20 HB3 GLN 4 HB3 GLN 4 -10.605 8.742 -0.806
21 HG2 GLN 4 HG2 GLN 4 -8.296 9.580 -0.430
22 HG3 GLN 4 HG3 GLN 4 -8.313 10.263 -2.055
23 HE21 GLN 4 HE21 GLN 4 -11.156 10.993 -1.857
24 HE22 GLN 4 HE22 GLN 4 -11.211 12.384 -0.828
25 H GLN 5 H GLN 5 -9.942 6.437 0.099
26 HA GLN 5 HA GLN 5 -7.488 6.835 1.491
27 HB2 GLN 5 HB2 GLN 5 -9.895 5.145 2.153
28 HB3 GLN 5 HB3 GLN 5 -8.496 5.290 3.205
29 HG2 GLN 5 HG2 GLN 5 -10.230 7.594 2.318
30 HG3 GLN 5 HG3 GLN 5 -10.358 6.762 3.866
31 HE21 GLN 5 HE21 GLN 5 -9.893 8.658 5.046
32 HE22 GLN 5 HE22 GLN 5 -8.308 9.351 5.080
33 H ALA 6 H ALA 6 -8.967 4.070 -0.137
34 HA ALA 6 HA ALA 6 -6.940 2.214 0.529
35 HB1 ALA 6 HB1 ALA 6 -9.087 1.458 -0.325
36 HB2 ALA 6 HB2 ALA 6 -7.778 0.884 -1.357
37 HB3 ALA 6 HB3 ALA 6 -8.768 2.246 -1.870
38 H LYS 7 H LYS 7 -7.316 4.533 -2.087
39 HA LYS 7 HA LYS 7 -5.105 3.749 -3.638
40 HB2 LYS 7 HB2 LYS 7 -6.852 5.314 -4.432
41 HB3 LYS 7 HB3 LYS 7 -6.285 6.519 -3.287
42 HG2 LYS 7 HG2 LYS 7 -5.458 7.050 -5.472
43 HG3 LYS 7 HG3 LYS 7 -4.097 6.553 -4.432
44 HD2 LYS 7 HD2 LYS 7 -4.267 4.260 -5.419
45 HD3 LYS 7 HD3 LYS 7 -5.501 4.861 -6.531
46 HE2 LYS 7 HE2 LYS 7 -3.302 4.813 -7.616
47 HE3 LYS 7 HE3 LYS 7 -3.879 6.472 -7.439
48 HZ1 LYS 7 HZ1 LYS 7 -2.473 6.689 -5.465
49 HZ2 LYS 7 HZ2 LYS 7 -1.564 6.312 -6.839
50 HZ3 LYS 7 HZ3 LYS 7 -1.896 5.114 -5.694
51 H TYR 8 H TYR 8 -5.415 5.906 -0.871
52 HA TYR 8 HA TYR 8 -2.770 6.909 -0.915
53 HB2 TYR 8 HB2 TYR 8 -4.704 7.923 0.339
54 HB3 TYR 8 HB3 TYR 8 -4.570 6.600 1.500
55 HD1 TYR 8 HD1 TYR 8 -2.881 9.579 0.149
56 HD2 TYR 8 HD2 TYR 8 -2.881 6.601 3.185
57 HE1 TYR 8 HE1 TYR 8 -1.217 10.876 1.409
58 HE2 TYR 8 HE2 TYR 8 -1.213 7.886 4.455
59 HH TYR 8 HH TYR 8 -0.426 11.118 3.699
60 H CYS 9 H CYS 9 -4.290 4.141 0.606
61 HA CYS 9 HA CYS 9 -2.190 3.247 2.221
62 HB2 CYS 9 HB2 CYS 9 -4.475 2.326 2.334
63 HB3 CYS 9 HB3 CYS 9 -4.272 1.608 0.732
64 H TYR 10 H TYR 10 -2.971 2.416 -1.144
65 HA TYR 10 HA TYR 10 -0.695 0.682 -1.384
66 HB2 TYR 10 HB2 TYR 10 -2.735 1.689 -3.379
67 HB3 TYR 10 HB3 TYR 10 -1.393 0.633 -3.828
68 HD1 TYR 10 HD1 TYR 10 -1.202 -1.592 -2.607
69 HD2 TYR 10 HD2 TYR 10 -4.743 0.766 -2.579
70 HE1 TYR 10 HE1 TYR 10 -2.510 -3.567 -2.034
71 HE2 TYR 10 HE2 TYR 10 -6.060 -1.218 -1.996
72 HH TYR 10 HH TYR 10 -5.798 -3.765 -2.313
73 H GLU 11 H GLU 11 -1.306 4.059 -2.094
74 HA GLU 11 HA GLU 11 0.843 4.270 -3.953
75 HB2 GLU 11 HB2 GLU 11 0.421 6.606 -4.007
76 HB3 GLU 11 HB3 GLU 11 -1.159 5.819 -3.842
77 HG2 GLU 11 HG2 GLU 11 -1.165 6.332 -1.472
78 HG3 GLU 11 HG3 GLU 11 0.428 7.094 -1.635
79 H GLN 12 H GLN 12 0.517 5.021 -0.481
80 HA GLN 12 HA GLN 12 3.166 6.115 -0.391
81 HB2 GLN 12 HB2 GLN 12 1.173 5.509 1.800
82 HB3 GLN 12 HB3 GLN 12 2.724 6.284 2.073
83 HG2 GLN 12 HG2 GLN 12 0.814 7.420 0.100
84 HG3 GLN 12 HG3 GLN 12 0.587 7.706 1.813
85 HE21 GLN 12 HE21 GLN 12 3.772 7.375 0.458
86 HE22 GLN 12 HE22 GLN 12 4.224 9.036 0.624
87 H CYS 13 H CYS 13 1.821 2.957 0.086
88 HA CYS 13 HA CYS 13 3.578 1.994 2.041
89 HB2 CYS 13 HB2 CYS 13 2.947 -0.262 1.279
90 HB3 CYS 13 HB3 CYS 13 1.528 0.785 1.378
91 H ASN 14 H ASN 14 3.863 1.649 -1.522
92 HA ASN 14 HA ASN 14 6.514 0.589 -1.289
93 HB2 ASN 14 HB2 ASN 14 6.622 0.817 -3.752
94 HB3 ASN 14 HB3 ASN 14 5.172 -0.012 -3.214
95 HD21 ASN 14 HD21 ASN 14 6.409 3.026 -4.546
96 HD22 ASN 14 HD22 ASN 14 4.870 3.579 -5.119
97 H VAL 15 H VAL 15 5.220 3.813 -1.616
98 HA VAL 15 HA VAL 15 7.609 5.071 -2.456
99 HB VAL 15 HB VAL 15 5.244 6.204 -0.948
100 HG11 VAL 15 HG11 VAL 15 6.108 8.421 -1.546
101 HG12 VAL 15 HG12 VAL 15 7.548 7.675 -2.238
102 HG13 VAL 15 HG13 VAL 15 7.240 7.554 -0.507
103 HG21 VAL 15 HG21 VAL 15 6.059 6.365 -3.853
104 HG22 VAL 15 HG22 VAL 15 4.695 7.217 -3.129
105 HG23 VAL 15 HG23 VAL 15 4.698 5.456 -3.197
106 H ASN 16 H ASN 16 6.247 4.369 0.741
107 HA ASN 16 HA ASN 16 8.367 5.638 2.171
108 HB2 ASN 16 HB2 ASN 16 6.396 3.497 3.040
109 HB3 ASN 16 HB3 ASN 16 7.521 4.326 4.128
110 HD21 ASN 16 HD21 ASN 16 4.641 4.359 4.324
111 HD22 ASN 16 HD22 ASN 16 4.149 6.009 4.135
112 H LYS 17 H LYS 17 7.648 2.145 2.289
113 HA LYS 17 HA LYS 17 9.803 1.282 0.778
114 HB2 LYS 17 HB2 LYS 17 11.214 2.235 2.574
115 HB3 LYS 17 HB3 LYS 17 10.412 1.170 3.739
116 HG2 LYS 17 HG2 LYS 17 11.244 -0.789 2.471
117 HG3 LYS 17 HG3 LYS 17 12.121 0.311 1.401
118 HD2 LYS 17 HD2 LYS 17 13.482 1.114 3.196
119 HD3 LYS 17 HD3 LYS 17 12.516 0.242 4.407
120 HE2 LYS 17 HE2 LYS 17 14.208 -0.993 2.221
121 HE3 LYS 17 HE3 LYS 17 14.622 -0.919 3.931
122 HZ1 LYS 17 HZ1 LYS 17 13.729 -3.079 3.336
123 HZ2 LYS 17 HZ2 LYS 17 12.305 -2.371 2.772
124 HZ3 LYS 17 HZ3 LYS 17 12.691 -2.298 4.416
125 H VAL 18 H VAL 18 7.871 -0.068 0.237
126 HA VAL 18 HA VAL 18 8.226 -2.581 1.643
127 HB VAL 18 HB VAL 18 6.091 -3.044 2.314
128 HG11 VAL 18 HG11 VAL 18 6.711 -1.050 3.571
129 HG12 VAL 18 HG12 VAL 18 4.966 -1.180 3.361
130 HG13 VAL 18 HG13 VAL 18 5.888 -0.036 2.384
131 HG21 VAL 18 HG21 VAL 18 4.036 -2.215 1.304
132 HG22 VAL 18 HG22 VAL 18 5.122 -2.925 0.104
133 HG23 VAL 18 HG23 VAL 18 4.979 -1.168 0.235
134 HA PRO 19 HA PRO 19 7.978 -4.006 -2.610
135 HB2 PRO 19 HB2 PRO 19 7.188 -6.602 -1.477
136 HB3 PRO 19 HB3 PRO 19 8.614 -6.194 -2.447
137 HG2 PRO 19 HG2 PRO 19 8.799 -6.776 0.179
138 HG3 PRO 19 HG3 PRO 19 9.870 -5.609 -0.618
139 HD2 PRO 19 HD2 PRO 19 7.493 -5.096 1.141
140 HD3 PRO 19 HD3 PRO 19 9.046 -4.233 1.033
141 H PHE 20 H PHE 20 6.271 -4.508 -4.108
142 HA PHE 20 HA PHE 20 3.757 -3.566 -3.356
143 HB2 PHE 20 HB2 PHE 20 4.569 -3.675 -5.717
144 HB3 PHE 20 HB3 PHE 20 4.273 -5.412 -5.696
145 HD1 PHE 20 HD1 PHE 20 2.702 -2.098 -5.596
146 HD2 PHE 20 HD2 PHE 20 2.049 -6.298 -5.821
147 HE1 PHE 20 HE1 PHE 20 0.350 -1.697 -6.203
148 HE2 PHE 20 HE2 PHE 20 -0.302 -5.904 -6.432
149 HZ PHE 20 HZ PHE 20 -1.153 -3.601 -6.622
150 H ASP 21 H ASP 21 4.897 -6.911 -3.622
151 HA ASP 21 HA ASP 21 2.486 -8.222 -3.164
152 HB2 ASP 21 HB2 ASP 21 3.947 -10.057 -2.193
153 HB3 ASP 21 HB3 ASP 21 4.337 -9.544 -3.833
154 H GLN 22 H GLN 22 4.863 -7.001 -0.824
155 HA GLN 22 HA GLN 22 3.495 -7.848 1.482
156 HB2 GLN 22 HB2 GLN 22 5.857 -7.129 1.491
157 HB3 GLN 22 HB3 GLN 22 5.347 -5.477 1.154
158 HG2 GLN 22 HG2 GLN 22 4.139 -5.422 3.277
159 HG3 GLN 22 HG3 GLN 22 4.672 -7.074 3.612
160 HE21 GLN 22 HE21 GLN 22 6.817 -7.466 4.121
161 HE22 GLN 22 HE22 GLN 22 7.888 -6.198 4.621
162 H CYS 23 H CYS 23 3.303 -4.929 -0.475
163 HA CYS 23 HA CYS 23 1.556 -3.484 1.220
164 HB2 CYS 23 HB2 CYS 23 2.824 -2.517 -0.774
165 HB3 CYS 23 HB3 CYS 23 1.607 -3.273 -1.804
166 H TYR 24 H TYR 24 0.942 -5.673 -1.507
167 HA TYR 24 HA TYR 24 -1.867 -5.527 -1.350
168 HB2 TYR 24 HB2 TYR 24 -0.665 -6.432 -3.328
169 HB3 TYR 24 HB3 TYR 24 -0.197 -7.845 -2.367
170 HD1 TYR 24 HD1 TYR 24 -3.107 -6.030 -3.772
171 HD2 TYR 24 HD2 TYR 24 -1.670 -9.661 -2.093
172 HE1 TYR 24 HE1 TYR 24 -5.206 -7.138 -4.387
173 HE2 TYR 24 HE2 TYR 24 -3.764 -10.780 -2.706
174 HH TYR 24 HH TYR 24 -6.056 -9.367 -4.817
175 H GLN 25 H GLN 25 0.478 -7.593 0.299
176 HA GLN 25 HA GLN 25 -1.474 -9.428 1.258
177 HB2 GLN 25 HB2 GLN 25 1.344 -8.815 2.147
178 HB3 GLN 25 HB3 GLN 25 0.337 -9.979 2.998
179 HG2 GLN 25 HG2 GLN 25 1.249 -10.148 0.116
180 HG3 GLN 25 HG3 GLN 25 1.747 -11.172 1.459
181 HE21 GLN 25 HE21 GLN 25 -0.706 -10.489 -0.865
182 HE22 GLN 25 HE22 GLN 25 -1.693 -11.876 -0.550
183 H MET 26 H MET 26 -0.258 -6.377 2.437
184 HA MET 26 HA MET 26 -1.598 -6.715 4.984
185 HB2 MET 26 HB2 MET 26 0.554 -5.679 5.072
186 HB3 MET 26 HB3 MET 26 0.112 -4.532 3.819
187 HG2 MET 26 HG2 MET 26 -1.474 -3.463 5.351
188 HG3 MET 26 HG3 MET 26 -1.023 -4.611 6.612
189 HE1 MET 26 HE1 MET 26 1.973 -1.577 4.826
190 HE2 MET 26 HE2 MET 26 0.355 -1.844 4.180
191 HE3 MET 26 HE3 MET 26 1.584 -3.101 4.035
192 H CYS 27 H CYS 27 -1.989 -4.761 2.037
193 HA CYS 27 HA CYS 27 -4.179 -3.309 3.320
194 HB2 CYS 27 HB2 CYS 27 -2.326 -2.241 1.800
195 HB3 CYS 27 HB3 CYS 27 -3.342 -2.833 0.468
196 H SER 28 H SER 28 -3.922 -6.112 1.412
197 HA SER 28 HA SER 28 -6.130 -5.838 -0.261
198 HB2 SER 28 HB2 SER 28 -6.262 -8.375 -0.199
199 HB3 SER 28 HB3 SER 28 -4.726 -7.670 -0.724
200 HG SER 28 HG SER 28 -3.782 -8.324 1.080
201 HA PRO 29 HA PRO 29 -8.934 -7.635 3.343
202 HB2 PRO 29 HB2 PRO 29 -7.506 -6.325 5.603
203 HB3 PRO 29 HB3 PRO 29 -8.373 -7.874 5.565
204 HG2 PRO 29 HG2 PRO 29 -5.724 -7.866 5.579
205 HG3 PRO 29 HG3 PRO 29 -6.606 -8.989 4.510
206 HD2 PRO 29 HD2 PRO 29 -5.252 -6.384 3.820
207 HD3 PRO 29 HD3 PRO 29 -5.248 -7.932 2.934
208 H LEU 30 H LEU 30 -7.470 -4.601 2.820
209 HA LEU 30 HA LEU 30 -9.633 -3.055 4.012
210 HB2 LEU 30 HB2 LEU 30 -7.122 -2.403 3.974
211 HB3 LEU 30 HB3 LEU 30 -7.399 -2.005 2.270
212 HG LEU 30 HG LEU 30 -8.663 -0.664 4.687
213 HD11 LEU 30 HD11 LEU 30 -6.352 -0.021 4.277
214 HD12 LEU 30 HD12 LEU 30 -7.441 1.304 3.858
215 HD13 LEU 30 HD13 LEU 30 -6.725 0.313 2.585
216 HD21 LEU 30 HD21 LEU 30 -10.277 -0.792 2.823
217 HD22 LEU 30 HD22 LEU 30 -9.090 -0.037 1.759
218 HD23 LEU 30 HD23 LEU 30 -9.741 0.862 3.129
219 H GLU 31 H GLU 31 -8.092 -3.188 0.814
220 HA GLU 31 HA GLU 31 -10.323 -1.921 -0.452
221 HB2 GLU 31 HB2 GLU 31 -7.840 -1.789 -1.120
222 HB3 GLU 31 HB3 GLU 31 -8.083 -3.371 -1.868
223 HG2 GLU 31 HG2 GLU 31 -9.856 -1.070 -2.624
224 HG3 GLU 31 HG3 GLU 31 -8.234 -1.214 -3.311
225 H ARG 32 H ARG 32 -9.312 -5.214 0.037
226 HA ARG 32 HA ARG 32 -11.605 -6.144 -1.575
227 HB2 ARG 32 HB2 ARG 32 -9.005 -7.659 -1.136
228 HB3 ARG 32 HB3 ARG 32 -10.352 -8.165 -2.157
229 HG2 ARG 32 HG2 ARG 32 -8.654 -5.707 -2.682
230 HG3 ARG 32 HG3 ARG 32 -8.346 -7.286 -3.397
231 HD2 ARG 32 HD2 ARG 32 -10.699 -5.459 -3.845
232 HD3 ARG 32 HD3 ARG 32 -9.515 -6.032 -5.008
233 HE ARG 32 HE ARG 32 -11.045 -8.145 -3.801
234 HH11 ARG 32 HH11 ARG 32 -10.924 -5.797 -6.385
235 HH12 ARG 32 HH12 ARG 32 -12.012 -6.679 -7.408
236 HH21 ARG 32 HH21 ARG 32 -12.464 -9.317 -5.135
237 HH22 ARG 32 HH22 ARG 32 -12.879 -8.696 -6.702
238 H SER 33 H SER 33 -12.250 -5.571 0.871
239 HA SER 33 HA SER 33 -11.693 -7.519 2.858
240 HB2 SER 33 HB2 SER 33 -14.236 -5.873 2.705
241 HB3 SER 33 HB3 SER 33 -13.452 -6.519 4.146
242 HG SER 33 HG SER 33 -11.617 -5.118 3.521
Start of MODEL 11
1 HA ALA 1 HA ALA 1 -17.071 3.055 1.339
2 HB1 ALA 1 HB1 ALA 1 -17.364 4.303 4.068
3 HB2 ALA 1 HB2 ALA 1 -18.373 3.025 3.395
4 HB3 ALA 1 HB3 ALA 1 -18.384 4.631 2.669
5 H SER 2 H SER 2 -14.311 3.506 1.236
6 HA SER 2 HA SER 2 -14.216 6.289 0.504
7 HB2 SER 2 HB2 SER 2 -13.803 6.316 3.029
8 HB3 SER 2 HB3 SER 2 -12.328 5.403 2.712
9 HG SER 2 HG SER 2 -11.674 7.474 2.690
10 HA PRO 3 HA PRO 3 -11.747 3.069 -1.899
11 HB2 PRO 3 HB2 PRO 3 -12.499 5.091 -3.970
12 HB3 PRO 3 HB3 PRO 3 -12.452 3.316 -4.088
13 HG2 PRO 3 HG2 PRO 3 -14.772 4.545 -3.843
14 HG3 PRO 3 HG3 PRO 3 -14.444 3.069 -2.912
15 HD2 PRO 3 HD2 PRO 3 -14.445 5.926 -1.959
16 HD3 PRO 3 HD3 PRO 3 -15.025 4.445 -1.136
17 H GLN 4 H GLN 4 -11.593 6.575 -1.774
18 HA GLN 4 HA GLN 4 -9.113 6.932 -3.005
19 HB2 GLN 4 HB2 GLN 4 -9.024 9.114 -1.977
20 HB3 GLN 4 HB3 GLN 4 -10.663 8.788 -2.516
21 HG2 GLN 4 HG2 GLN 4 -11.423 8.442 -0.285
22 HG3 GLN 4 HG3 GLN 4 -9.770 8.389 0.333
23 HE21 GLN 4 HE21 GLN 4 -10.853 10.710 -2.054
24 HE22 GLN 4 HE22 GLN 4 -10.759 12.097 -1.019
25 H GLN 5 H GLN 5 -9.890 5.888 0.238
26 HA GLN 5 HA GLN 5 -7.291 6.419 1.283
27 HB2 GLN 5 HB2 GLN 5 -7.972 5.453 3.295
28 HB3 GLN 5 HB3 GLN 5 -9.436 6.172 2.648
29 HG2 GLN 5 HG2 GLN 5 -10.229 4.018 1.919
30 HG3 GLN 5 HG3 GLN 5 -8.710 3.262 2.394
31 HE21 GLN 5 HE21 GLN 5 -8.502 4.874 4.836
32 HE22 GLN 5 HE22 GLN 5 -9.659 4.212 5.940
33 H ALA 6 H ALA 6 -8.770 3.786 -0.381
34 HA ALA 6 HA ALA 6 -6.823 1.805 0.140
35 HB1 ALA 6 HB1 ALA 6 -7.636 0.743 -1.954
36 HB2 ALA 6 HB2 ALA 6 -8.626 2.169 -2.255
37 HB3 ALA 6 HB3 ALA 6 -8.936 1.162 -0.839
38 H LYS 7 H LYS 7 -7.110 4.325 -2.306
39 HA LYS 7 HA LYS 7 -4.796 3.637 -3.768
40 HB2 LYS 7 HB2 LYS 7 -6.593 5.160 -4.585
41 HB3 LYS 7 HB3 LYS 7 -6.046 6.374 -3.439
42 HG2 LYS 7 HG2 LYS 7 -5.205 6.869 -5.645
43 HG3 LYS 7 HG3 LYS 7 -3.860 6.445 -4.552
44 HD2 LYS 7 HD2 LYS 7 -3.871 4.145 -5.475
45 HD3 LYS 7 HD3 LYS 7 -5.163 4.602 -6.589
46 HE2 LYS 7 HE2 LYS 7 -2.980 4.655 -7.709
47 HE3 LYS 7 HE3 LYS 7 -3.678 6.272 -7.609
48 HZ1 LYS 7 HZ1 LYS 7 -1.313 6.230 -7.052
49 HZ2 LYS 7 HZ2 LYS 7 -1.628 5.191 -5.758
50 HZ3 LYS 7 HZ3 LYS 7 -2.252 6.764 -5.750
51 H TYR 8 H TYR 8 -5.328 5.528 -0.879
52 HA TYR 8 HA TYR 8 -2.779 6.717 -0.649
53 HB2 TYR 8 HB2 TYR 8 -4.778 7.386 0.685
54 HB3 TYR 8 HB3 TYR 8 -4.662 5.865 1.569
55 HD1 TYR 8 HD1 TYR 8 -3.157 9.152 1.035
56 HD2 TYR 8 HD2 TYR 8 -2.989 5.552 3.284
57 HE1 TYR 8 HE1 TYR 8 -1.683 10.246 2.665
58 HE2 TYR 8 HE2 TYR 8 -1.506 6.631 4.920
59 HH TYR 8 HH TYR 8 0.089 8.559 4.967
60 H CYS 9 H CYS 9 -4.115 3.674 0.546
61 HA CYS 9 HA CYS 9 -1.875 2.843 2.025
62 HB2 CYS 9 HB2 CYS 9 -4.148 1.834 2.204
63 HB3 CYS 9 HB3 CYS 9 -3.917 1.078 0.620
64 H TYR 10 H TYR 10 -2.839 2.097 -1.319
65 HA TYR 10 HA TYR 10 -0.543 0.501 -1.845
66 HB2 TYR 10 HB2 TYR 10 -2.579 1.799 -3.669
67 HB3 TYR 10 HB3 TYR 10 -1.239 0.824 -4.273
68 HD1 TYR 10 HD1 TYR 10 -1.094 -1.587 -3.575
69 HD2 TYR 10 HD2 TYR 10 -4.557 0.781 -2.871
70 HE1 TYR 10 HE1 TYR 10 -2.434 -3.627 -3.323
71 HE2 TYR 10 HE2 TYR 10 -5.899 -1.248 -2.616
72 HH TYR 10 HH TYR 10 -5.853 -3.574 -3.303
73 H GLU 11 H GLU 11 -1.190 3.944 -2.144
74 HA GLU 11 HA GLU 11 1.080 4.400 -3.812
75 HB2 GLU 11 HB2 GLU 11 -0.849 5.964 -3.786
76 HB3 GLU 11 HB3 GLU 11 -0.430 6.420 -2.120
77 HG2 GLU 11 HG2 GLU 11 1.757 7.226 -2.922
78 HG3 GLU 11 HG3 GLU 11 1.265 6.835 -4.586
79 H GLN 12 H GLN 12 0.453 4.885 -0.324
80 HA GLN 12 HA GLN 12 3.060 6.015 0.045
81 HB2 GLN 12 HB2 GLN 12 0.973 5.223 2.078
82 HB3 GLN 12 HB3 GLN 12 2.447 6.103 2.429
83 HG2 GLN 12 HG2 GLN 12 0.314 7.052 0.554
84 HG3 GLN 12 HG3 GLN 12 0.450 7.525 2.241
85 HE21 GLN 12 HE21 GLN 12 1.757 7.840 -0.933
86 HE22 GLN 12 HE22 GLN 12 2.813 9.171 -0.596
87 H CYS 13 H CYS 13 1.762 2.818 0.166
88 HA CYS 13 HA CYS 13 3.489 1.662 2.060
89 HB2 CYS 13 HB2 CYS 13 2.924 -0.485 1.011
90 HB3 CYS 13 HB3 CYS 13 1.472 0.518 1.122
91 H ASN 14 H ASN 14 3.791 1.752 -1.492
92 HA ASN 14 HA ASN 14 6.465 0.751 -1.470
93 HB2 ASN 14 HB2 ASN 14 4.908 0.582 -3.443
94 HB3 ASN 14 HB3 ASN 14 5.124 2.311 -3.703
95 HD21 ASN 14 HD21 ASN 14 7.598 -0.024 -2.713
96 HD22 ASN 14 HD22 ASN 14 8.572 0.166 -4.132
97 H VAL 15 H VAL 15 5.085 3.946 -1.226
98 HA VAL 15 HA VAL 15 7.410 5.408 -1.904
99 HB VAL 15 HB VAL 15 4.977 6.167 -0.286
100 HG11 VAL 15 HG11 VAL 15 7.265 7.955 -1.119
101 HG12 VAL 15 HG12 VAL 15 6.882 7.470 0.531
102 HG13 VAL 15 HG13 VAL 15 5.760 8.486 -0.371
103 HG21 VAL 15 HG21 VAL 15 5.931 6.962 -3.043
104 HG22 VAL 15 HG22 VAL 15 4.469 7.553 -2.254
105 HG23 VAL 15 HG23 VAL 15 4.612 5.849 -2.681
106 H ASN 16 H ASN 16 6.097 4.302 1.232
107 HA ASN 16 HA ASN 16 8.235 5.365 2.775
108 HB2 ASN 16 HB2 ASN 16 6.430 2.979 3.334
109 HB3 ASN 16 HB3 ASN 16 7.524 3.717 4.508
110 HD21 ASN 16 HD21 ASN 16 7.007 6.431 3.629
111 HD22 ASN 16 HD22 ASN 16 5.417 6.822 4.188
112 H LYS 17 H LYS 17 7.665 1.879 2.412
113 HA LYS 17 HA LYS 17 9.643 1.325 0.582
114 HB2 LYS 17 HB2 LYS 17 11.200 2.115 2.382
115 HB3 LYS 17 HB3 LYS 17 10.646 0.759 3.377
116 HG2 LYS 17 HG2 LYS 17 11.528 -0.835 1.810
117 HG3 LYS 17 HG3 LYS 17 11.922 0.447 0.659
118 HD2 LYS 17 HD2 LYS 17 13.528 1.404 2.220
119 HD3 LYS 17 HD3 LYS 17 13.143 0.156 3.426
120 HE2 LYS 17 HE2 LYS 17 15.188 -0.423 2.251
121 HE3 LYS 17 HE3 LYS 17 13.918 -1.561 1.814
122 HZ1 LYS 17 HZ1 LYS 17 13.592 -0.382 -0.252
123 HZ2 LYS 17 HZ2 LYS 17 15.216 -0.831 -0.106
124 HZ3 LYS 17 HZ3 LYS 17 14.754 0.771 0.175
125 H VAL 18 H VAL 18 7.720 -0.024 0.075
126 HA VAL 18 HA VAL 18 8.189 -2.654 1.243
127 HB VAL 18 HB VAL 18 6.054 -3.181 1.886
128 HG11 VAL 18 HG11 VAL 18 4.993 -1.388 3.131
129 HG12 VAL 18 HG12 VAL 18 5.939 -0.188 2.250
130 HG13 VAL 18 HG13 VAL 18 6.747 -1.335 3.322
131 HG21 VAL 18 HG21 VAL 18 4.929 -1.076 0.049
132 HG22 VAL 18 HG22 VAL 18 3.999 -2.237 1.005
133 HG23 VAL 18 HG23 VAL 18 5.059 -2.804 -0.291
134 HA PRO 19 HA PRO 19 7.789 -3.824 -3.087
135 HB2 PRO 19 HB2 PRO 19 7.283 -6.521 -2.016
136 HB3 PRO 19 HB3 PRO 19 8.590 -5.965 -3.078
137 HG2 PRO 19 HG2 PRO 19 9.065 -6.628 -0.526
138 HG3 PRO 19 HG3 PRO 19 9.925 -5.297 -1.324
139 HD2 PRO 19 HD2 PRO 19 7.606 -5.159 0.590
140 HD3 PRO 19 HD3 PRO 19 9.079 -4.160 0.506
141 H PHE 20 H PHE 20 6.091 -4.648 -4.495
142 HA PHE 20 HA PHE 20 3.558 -3.773 -3.814
143 HB2 PHE 20 HB2 PHE 20 4.327 -4.171 -6.145
144 HB3 PHE 20 HB3 PHE 20 4.172 -5.904 -5.875
145 HD1 PHE 20 HD1 PHE 20 2.347 -2.744 -6.233
146 HD2 PHE 20 HD2 PHE 20 2.023 -6.972 -5.870
147 HE1 PHE 20 HE1 PHE 20 -0.016 -2.617 -6.908
148 HE2 PHE 20 HE2 PHE 20 -0.341 -6.852 -6.546
149 HZ PHE 20 HZ PHE 20 -1.362 -4.673 -7.064
150 H ASP 21 H ASP 21 4.831 -7.076 -3.621
151 HA ASP 21 HA ASP 21 2.418 -8.365 -3.009
152 HB2 ASP 21 HB2 ASP 21 3.779 -10.207 -2.160
153 HB3 ASP 21 HB3 ASP 21 4.436 -9.600 -3.676
154 H GLN 22 H GLN 22 4.825 -6.872 -0.851
155 HA GLN 22 HA GLN 22 3.445 -7.544 1.535
156 HB2 GLN 22 HB2 GLN 22 5.800 -6.852 1.593
157 HB3 GLN 22 HB3 GLN 22 5.354 -5.246 1.020
158 HG2 GLN 22 HG2 GLN 22 3.930 -5.008 3.065
159 HG3 GLN 22 HG3 GLN 22 4.635 -6.519 3.647
160 HE21 GLN 22 HE21 GLN 22 7.259 -5.924 2.515
161 HE22 GLN 22 HE22 GLN 22 7.954 -4.714 3.540
162 H CYS 23 H CYS 23 3.281 -4.843 -0.709
163 HA CYS 23 HA CYS 23 1.594 -3.187 0.839
164 HB2 CYS 23 HB2 CYS 23 2.815 -2.507 -1.306
165 HB3 CYS 23 HB3 CYS 23 1.526 -3.335 -2.184
166 H TYR 24 H TYR 24 0.899 -5.698 -1.556
167 HA TYR 24 HA TYR 24 -1.892 -5.559 -1.457
168 HB2 TYR 24 HB2 TYR 24 -0.488 -6.904 -3.094
169 HB3 TYR 24 HB3 TYR 24 -0.292 -8.111 -1.812
170 HD1 TYR 24 HD1 TYR 24 -2.587 -6.620 -4.217
171 HD2 TYR 24 HD2 TYR 24 -2.191 -9.473 -1.091
172 HE1 TYR 24 HE1 TYR 24 -4.711 -7.642 -4.891
173 HE2 TYR 24 HE2 TYR 24 -4.316 -10.508 -1.757
174 HH TYR 24 HH TYR 24 -6.386 -9.856 -2.955
175 H GLN 25 H GLN 25 0.426 -7.103 0.693
176 HA GLN 25 HA GLN 25 -1.416 -8.743 2.081
177 HB2 GLN 25 HB2 GLN 25 0.986 -9.168 2.150
178 HB3 GLN 25 HB3 GLN 25 1.265 -7.603 2.914
179 HG2 GLN 25 HG2 GLN 25 1.403 -9.400 4.545
180 HG3 GLN 25 HG3 GLN 25 0.037 -8.343 4.896
181 HE21 GLN 25 HE21 GLN 25 -1.018 -9.905 6.085
182 HE22 GLN 25 HE22 GLN 25 -1.758 -11.291 5.358
183 H MET 26 H MET 26 -0.344 -5.420 2.506
184 HA MET 26 HA MET 26 -1.759 -5.171 5.016
185 HB2 MET 26 HB2 MET 26 0.333 -4.016 4.862
186 HB3 MET 26 HB3 MET 26 -0.139 -3.251 3.355
187 HG2 MET 26 HG2 MET 26 -1.829 -1.936 4.541
188 HG3 MET 26 HG3 MET 26 -1.362 -2.706 6.057
189 HE1 MET 26 HE1 MET 26 -0.063 -0.499 3.063
190 HE2 MET 26 HE2 MET 26 1.241 -1.674 3.241
191 HE3 MET 26 HE3 MET 26 1.513 0.015 3.664
192 H CYS 27 H CYS 27 -2.115 -4.013 1.685
193 HA CYS 27 HA CYS 27 -4.358 -2.348 2.430
194 HB2 CYS 27 HB2 CYS 27 -3.299 -2.924 -0.353
195 HB3 CYS 27 HB3 CYS 27 -4.358 -1.588 0.145
196 H SER 28 H SER 28 -4.030 -5.618 1.295
197 HA SER 28 HA SER 28 -6.456 -5.783 -0.097
198 HB2 SER 28 HB2 SER 28 -6.350 -8.247 0.287
199 HB3 SER 28 HB3 SER 28 -4.879 -7.552 -0.403
200 HG SER 28 HG SER 28 -3.816 -7.971 1.391
201 HA PRO 29 HA PRO 29 -8.535 -7.061 4.197
202 HB2 PRO 29 HB2 PRO 29 -6.905 -5.168 5.832
203 HB3 PRO 29 HB3 PRO 29 -7.647 -6.711 6.303
204 HG2 PRO 29 HG2 PRO 29 -5.037 -6.607 5.868
205 HG3 PRO 29 HG3 PRO 29 -5.989 -7.982 5.252
206 HD2 PRO 29 HD2 PRO 29 -4.926 -5.592 3.766
207 HD3 PRO 29 HD3 PRO 29 -4.995 -7.299 3.261
208 H LEU 30 H LEU 30 -7.301 -4.071 3.039
209 HA LEU 30 HA LEU 30 -9.520 -2.494 4.068
210 HB2 LEU 30 HB2 LEU 30 -7.035 -1.759 3.914
211 HB3 LEU 30 HB3 LEU 30 -7.358 -1.557 2.184
212 HG LEU 30 HG LEU 30 -8.708 -0.044 4.447
213 HD11 LEU 30 HD11 LEU 30 -7.494 1.882 3.486
214 HD12 LEU 30 HD12 LEU 30 -6.670 0.781 2.382
215 HD13 LEU 30 HD13 LEU 30 -6.412 0.641 4.121
216 HD21 LEU 30 HD21 LEU 30 -9.783 1.285 2.738
217 HD22 LEU 30 HD22 LEU 30 -10.195 -0.414 2.490
218 HD23 LEU 30 HD23 LEU 30 -8.987 0.360 1.465
219 H GLU 31 H GLU 31 -8.023 -3.079 0.898
220 HA GLU 31 HA GLU 31 -10.156 -1.800 -0.485
221 HB2 GLU 31 HB2 GLU 31 -7.808 -1.803 -1.294
222 HB3 GLU 31 HB3 GLU 31 -7.941 -3.537 -1.604
223 HG2 GLU 31 HG2 GLU 31 -9.743 -3.074 -3.228
224 HG3 GLU 31 HG3 GLU 31 -9.505 -1.342 -2.969
225 H ARG 32 H ARG 32 -9.095 -5.225 -0.541
226 HA ARG 32 HA ARG 32 -11.867 -5.929 -1.222
227 HB2 ARG 32 HB2 ARG 32 -9.354 -6.865 -2.619
228 HB3 ARG 32 HB3 ARG 32 -10.854 -7.790 -2.698
229 HG2 ARG 32 HG2 ARG 32 -10.642 -4.900 -3.583
230 HG3 ARG 32 HG3 ARG 32 -10.372 -6.263 -4.670
231 HD2 ARG 32 HD2 ARG 32 -12.920 -5.396 -3.327
232 HD3 ARG 32 HD3 ARG 32 -12.597 -5.672 -5.030
233 HE ARG 32 HE ARG 32 -12.295 -8.120 -4.213
234 HH11 ARG 32 HH11 ARG 32 -14.676 -5.819 -3.070
235 HH12 ARG 32 HH12 ARG 32 -15.834 -7.041 -2.655
236 HH21 ARG 32 HH21 ARG 32 -13.827 -9.724 -3.673
237 HH22 ARG 32 HH22 ARG 32 -15.359 -9.256 -3.003
238 H SER 33 H SER 33 -12.530 -6.916 0.547
239 HA SER 33 HA SER 33 -11.130 -9.393 1.263
240 HB2 SER 33 HB2 SER 33 -12.180 -7.354 3.254
241 HB3 SER 33 HB3 SER 33 -11.668 -8.988 3.676
242 HG SER 33 HG SER 33 -9.933 -7.283 2.246
Start of MODEL 12
1 HA ALA 1 HA ALA 1 -16.087 -0.114 2.147
2 HB1 ALA 1 HB1 ALA 1 -14.666 -2.097 1.806
3 HB2 ALA 1 HB2 ALA 1 -13.985 -0.966 2.975
4 HB3 ALA 1 HB3 ALA 1 -13.335 -1.039 1.338
5 H SER 2 H SER 2 -13.275 0.905 0.187
6 HA SER 2 HA SER 2 -13.616 3.667 0.710
7 HB2 SER 2 HB2 SER 2 -12.916 2.815 3.023
8 HB3 SER 2 HB3 SER 2 -11.353 2.428 2.302
9 HG SER 2 HG SER 2 -12.369 4.841 3.072
10 HA PRO 3 HA PRO 3 -10.877 2.144 -2.788
11 HB2 PRO 3 HB2 PRO 3 -12.238 4.393 -4.161
12 HB3 PRO 3 HB3 PRO 3 -11.949 2.729 -4.715
13 HG2 PRO 3 HG2 PRO 3 -14.380 3.521 -3.963
14 HG3 PRO 3 HG3 PRO 3 -13.777 1.892 -3.595
15 HD2 PRO 3 HD2 PRO 3 -14.028 4.264 -1.755
16 HD3 PRO 3 HD3 PRO 3 -14.307 2.526 -1.425
17 H GLN 4 H GLN 4 -11.475 5.397 -1.546
18 HA GLN 4 HA GLN 4 -9.210 6.514 -2.919
19 HB2 GLN 4 HB2 GLN 4 -10.896 7.664 -0.692
20 HB3 GLN 4 HB3 GLN 4 -9.633 8.539 -1.538
21 HG2 GLN 4 HG2 GLN 4 -10.915 8.198 -3.664
22 HG3 GLN 4 HG3 GLN 4 -12.220 7.512 -2.699
23 HE21 GLN 4 HE21 GLN 4 -10.205 10.164 -1.630
24 HE22 GLN 4 HE22 GLN 4 -11.444 11.371 -1.683
25 H GLN 5 H GLN 5 -9.914 5.652 0.445
26 HA GLN 5 HA GLN 5 -7.356 6.327 1.426
27 HB2 GLN 5 HB2 GLN 5 -9.414 4.393 2.483
28 HB3 GLN 5 HB3 GLN 5 -7.912 4.742 3.319
29 HG2 GLN 5 HG2 GLN 5 -8.581 7.132 3.430
30 HG3 GLN 5 HG3 GLN 5 -10.131 6.697 2.713
31 HE21 GLN 5 HE21 GLN 5 -10.204 4.133 4.154
32 HE22 GLN 5 HE22 GLN 5 -10.613 4.524 5.789
33 H ALA 6 H ALA 6 -8.664 3.457 -0.060
34 HA ALA 6 HA ALA 6 -6.518 1.715 0.419
35 HB1 ALA 6 HB1 ALA 6 -8.697 0.981 -0.474
36 HB2 ALA 6 HB2 ALA 6 -7.336 0.409 -1.436
37 HB3 ALA 6 HB3 ALA 6 -8.305 1.764 -2.004
38 H LYS 7 H LYS 7 -7.101 4.046 -2.175
39 HA LYS 7 HA LYS 7 -4.805 3.374 -3.681
40 HB2 LYS 7 HB2 LYS 7 -6.717 4.668 -4.596
41 HB3 LYS 7 HB3 LYS 7 -6.272 6.020 -3.566
42 HG2 LYS 7 HG2 LYS 7 -5.475 6.450 -5.776
43 HG3 LYS 7 HG3 LYS 7 -4.078 6.134 -4.714
44 HD2 LYS 7 HD2 LYS 7 -4.062 3.773 -5.536
45 HD3 LYS 7 HD3 LYS 7 -5.351 4.187 -6.670
46 HE2 LYS 7 HE2 LYS 7 -3.209 4.251 -7.821
47 HE3 LYS 7 HE3 LYS 7 -3.851 5.889 -7.685
48 HZ1 LYS 7 HZ1 LYS 7 -1.774 4.690 -5.934
49 HZ2 LYS 7 HZ2 LYS 7 -2.392 6.258 -5.788
50 HZ3 LYS 7 HZ3 LYS 7 -1.500 5.826 -7.158
51 H TYR 8 H TYR 8 -5.383 5.572 -1.005
52 HA TYR 8 HA TYR 8 -2.878 6.869 -1.029
53 HB2 TYR 8 HB2 TYR 8 -4.828 7.695 0.257
54 HB3 TYR 8 HB3 TYR 8 -4.683 6.306 1.335
55 HD1 TYR 8 HD1 TYR 8 -3.263 6.379 3.201
56 HD2 TYR 8 HD2 TYR 8 -2.888 9.329 0.159
57 HE1 TYR 8 HE1 TYR 8 -1.725 7.651 4.634
58 HE2 TYR 8 HE2 TYR 8 -1.349 10.611 1.584
59 HH TYR 8 HH TYR 8 -0.809 10.870 3.935
60 H CYS 9 H CYS 9 -4.051 3.983 0.670
61 HA CYS 9 HA CYS 9 -1.724 3.354 2.077
62 HB2 CYS 9 HB2 CYS 9 -3.717 2.099 2.574
63 HB3 CYS 9 HB3 CYS 9 -3.853 1.533 0.903
64 H TYR 10 H TYR 10 -2.743 2.274 -1.136
65 HA TYR 10 HA TYR 10 -0.387 0.751 -1.597
66 HB2 TYR 10 HB2 TYR 10 -2.678 1.651 -3.338
67 HB3 TYR 10 HB3 TYR 10 -1.275 0.826 -4.024
68 HD1 TYR 10 HD1 TYR 10 -4.353 0.427 -2.154
69 HD2 TYR 10 HD2 TYR 10 -0.708 -1.454 -3.264
70 HE1 TYR 10 HE1 TYR 10 -5.296 -1.751 -1.548
71 HE2 TYR 10 HE2 TYR 10 -1.639 -3.625 -2.667
72 HH TYR 10 HH TYR 10 -4.819 -4.235 -2.280
73 H GLU 11 H GLU 11 -1.131 4.092 -2.005
74 HA GLU 11 HA GLU 11 1.018 4.577 -3.838
75 HB2 GLU 11 HB2 GLU 11 -0.936 6.077 -3.768
76 HB3 GLU 11 HB3 GLU 11 -0.538 6.521 -2.096
77 HG2 GLU 11 HG2 GLU 11 1.588 7.477 -2.885
78 HG3 GLU 11 HG3 GLU 11 1.113 7.090 -4.556
79 H GLN 12 H GLN 12 0.547 5.032 -0.322
80 HA GLN 12 HA GLN 12 3.148 6.240 -0.079
81 HB2 GLN 12 HB2 GLN 12 1.178 5.475 2.083
82 HB3 GLN 12 HB3 GLN 12 2.606 6.468 2.289
83 HG2 GLN 12 HG2 GLN 12 0.322 7.155 0.483
84 HG3 GLN 12 HG3 GLN 12 0.508 7.740 2.130
85 HE21 GLN 12 HE21 GLN 12 1.707 7.877 -1.104
86 HE22 GLN 12 HE22 GLN 12 2.661 9.311 -0.915
87 H CYS 13 H CYS 13 1.899 3.031 0.177
88 HA CYS 13 HA CYS 13 3.598 2.018 2.167
89 HB2 CYS 13 HB2 CYS 13 3.078 -0.216 1.215
90 HB3 CYS 13 HB3 CYS 13 1.627 0.775 1.410
91 H ASN 14 H ASN 14 3.995 1.834 -1.387
92 HA ASN 14 HA ASN 14 6.660 0.829 -1.171
93 HB2 ASN 14 HB2 ASN 14 6.792 1.320 -3.624
94 HB3 ASN 14 HB3 ASN 14 5.421 0.326 -3.164
95 HD21 ASN 14 HD21 ASN 14 6.394 3.532 -4.274
96 HD22 ASN 14 HD22 ASN 14 4.805 4.019 -4.757
97 H VAL 15 H VAL 15 5.292 4.037 -1.321
98 HA VAL 15 HA VAL 15 7.654 5.453 -1.914
99 HB VAL 15 HB VAL 15 5.176 6.293 -0.400
100 HG11 VAL 15 HG11 VAL 15 7.058 7.638 0.393
101 HG12 VAL 15 HG12 VAL 15 5.965 8.607 -0.597
102 HG13 VAL 15 HG13 VAL 15 7.489 8.031 -1.272
103 HG21 VAL 15 HG21 VAL 15 4.700 7.573 -2.439
104 HG22 VAL 15 HG22 VAL 15 4.865 5.852 -2.789
105 HG23 VAL 15 HG23 VAL 15 6.183 6.960 -3.172
106 H ASN 16 H ASN 16 6.305 4.219 1.115
107 HA ASN 16 HA ASN 16 8.406 5.345 2.722
108 HB2 ASN 16 HB2 ASN 16 6.460 3.093 3.321
109 HB3 ASN 16 HB3 ASN 16 7.577 3.803 4.492
110 HD21 ASN 16 HD21 ASN 16 7.208 6.496 3.359
111 HD22 ASN 16 HD22 ASN 16 5.654 7.019 3.913
112 H LYS 17 H LYS 17 7.669 1.881 2.389
113 HA LYS 17 HA LYS 17 9.823 1.176 0.801
114 HB2 LYS 17 HB2 LYS 17 11.155 1.953 2.796
115 HB3 LYS 17 HB3 LYS 17 10.421 0.630 3.712
116 HG2 LYS 17 HG2 LYS 17 11.413 -0.993 2.157
117 HG3 LYS 17 HG3 LYS 17 12.168 0.335 1.266
118 HD2 LYS 17 HD2 LYS 17 13.407 1.010 3.259
119 HD3 LYS 17 HD3 LYS 17 12.660 -0.301 4.196
120 HE2 LYS 17 HE2 LYS 17 14.847 -1.020 3.529
121 HE3 LYS 17 HE3 LYS 17 13.677 -1.908 2.552
122 HZ1 LYS 17 HZ1 LYS 17 14.073 -0.334 0.746
123 HZ2 LYS 17 HZ2 LYS 17 15.498 -1.123 1.200
124 HZ3 LYS 17 HZ3 LYS 17 15.225 0.472 1.686
125 H VAL 18 H VAL 18 7.867 -0.082 0.114
126 HA VAL 18 HA VAL 18 8.122 -2.739 1.256
127 HB VAL 18 HB VAL 18 5.983 -3.170 1.938
128 HG11 VAL 18 HG11 VAL 18 4.957 -1.356 3.181
129 HG12 VAL 18 HG12 VAL 18 5.936 -0.177 2.308
130 HG13 VAL 18 HG13 VAL 18 6.711 -1.346 3.378
131 HG21 VAL 18 HG21 VAL 18 3.950 -2.149 1.069
132 HG22 VAL 18 HG22 VAL 18 4.976 -2.787 -0.222
133 HG23 VAL 18 HG23 VAL 18 4.921 -1.048 0.086
134 HA PRO 19 HA PRO 19 7.617 -3.716 -3.113
135 HB2 PRO 19 HB2 PRO 19 6.916 -6.419 -2.217
136 HB3 PRO 19 HB3 PRO 19 8.294 -5.891 -3.199
137 HG2 PRO 19 HG2 PRO 19 8.587 -6.751 -0.656
138 HG3 PRO 19 HG3 PRO 19 9.625 -5.509 -1.379
139 HD2 PRO 19 HD2 PRO 19 7.334 -5.172 0.526
140 HD3 PRO 19 HD3 PRO 19 8.887 -4.311 0.440
141 H PHE 20 H PHE 20 5.868 -4.283 -4.557
142 HA PHE 20 HA PHE 20 3.351 -3.412 -3.810
143 HB2 PHE 20 HB2 PHE 20 4.093 -3.678 -6.169
144 HB3 PHE 20 HB3 PHE 20 3.925 -5.421 -6.007
145 HD1 PHE 20 HD1 PHE 20 2.154 -2.241 -6.283
146 HD2 PHE 20 HD2 PHE 20 1.733 -6.462 -5.937
147 HE1 PHE 20 HE1 PHE 20 -0.208 -2.059 -6.946
148 HE2 PHE 20 HE2 PHE 20 -0.629 -6.284 -6.600
149 HZ PHE 20 HZ PHE 20 -1.602 -4.080 -7.105
150 H ASP 21 H ASP 21 4.523 -6.771 -3.920
151 HA ASP 21 HA ASP 21 2.088 -8.012 -3.307
152 HB2 ASP 21 HB2 ASP 21 3.450 -9.948 -2.567
153 HB3 ASP 21 HB3 ASP 21 3.941 -9.328 -4.140
154 H GLN 22 H GLN 22 4.630 -6.795 -1.159
155 HA GLN 22 HA GLN 22 3.388 -7.621 1.242
156 HB2 GLN 22 HB2 GLN 22 5.770 -6.993 1.119
157 HB3 GLN 22 HB3 GLN 22 5.306 -5.327 0.783
158 HG2 GLN 22 HG2 GLN 22 4.177 -5.234 2.973
159 HG3 GLN 22 HG3 GLN 22 4.759 -6.870 3.307
160 HE21 GLN 22 HE21 GLN 22 5.288 -4.368 4.710
161 HE22 GLN 22 HE22 GLN 22 7.010 -4.178 4.715
162 H CYS 23 H CYS 23 3.137 -4.730 -0.751
163 HA CYS 23 HA CYS 23 1.597 -3.186 1.054
164 HB2 CYS 23 HB2 CYS 23 2.701 -2.357 -1.112
165 HB3 CYS 23 HB3 CYS 23 1.319 -3.057 -1.959
166 H TYR 24 H TYR 24 0.703 -5.495 -1.470
167 HA TYR 24 HA TYR 24 -2.082 -5.384 -1.094
168 HB2 TYR 24 HB2 TYR 24 -0.889 -6.530 -3.019
169 HB3 TYR 24 HB3 TYR 24 -0.490 -7.838 -1.896
170 HD1 TYR 24 HD1 TYR 24 -3.311 -6.050 -3.498
171 HD2 TYR 24 HD2 TYR 24 -2.060 -9.537 -1.410
172 HE1 TYR 24 HE1 TYR 24 -5.473 -7.105 -3.983
173 HE2 TYR 24 HE2 TYR 24 -4.219 -10.604 -1.893
174 HH TYR 24 HH TYR 24 -6.449 -9.345 -4.161
175 H GLN 25 H GLN 25 0.443 -6.999 0.713
176 HA GLN 25 HA GLN 25 -1.230 -8.936 1.956
177 HB2 GLN 25 HB2 GLN 25 1.429 -7.767 2.837
178 HB3 GLN 25 HB3 GLN 25 0.630 -9.086 3.676
179 HG2 GLN 25 HG2 GLN 25 0.827 -10.488 1.654
180 HG3 GLN 25 HG3 GLN 25 1.635 -9.167 0.816
181 HE21 GLN 25 HE21 GLN 25 3.031 -8.395 3.335
182 HE22 GLN 25 HE22 GLN 25 4.313 -9.550 3.490
183 H MET 26 H MET 26 -0.345 -5.637 2.726
184 HA MET 26 HA MET 26 -1.517 -5.759 5.353
185 HB2 MET 26 HB2 MET 26 0.371 -4.365 5.219
186 HB3 MET 26 HB3 MET 26 -0.173 -3.631 3.720
187 HG2 MET 26 HG2 MET 26 -1.945 -2.454 4.939
188 HG3 MET 26 HG3 MET 26 -1.382 -3.180 6.443
189 HE1 MET 26 HE1 MET 26 1.307 -0.336 3.978
190 HE2 MET 26 HE2 MET 26 -0.167 -1.071 3.347
191 HE3 MET 26 HE3 MET 26 1.247 -2.071 3.684
192 H CYS 27 H CYS 27 -2.365 -4.194 2.258
193 HA CYS 27 HA CYS 27 -4.827 -3.277 3.560
194 HB2 CYS 27 HB2 CYS 27 -3.319 -2.203 1.183
195 HB3 CYS 27 HB3 CYS 27 -5.008 -1.754 1.496
196 H SER 28 H SER 28 -4.085 -5.924 1.842
197 HA SER 28 HA SER 28 -6.079 -6.125 -0.064
198 HB2 SER 28 HB2 SER 28 -6.132 -8.633 0.652
199 HB3 SER 28 HB3 SER 28 -4.667 -7.955 -0.073
200 HG SER 28 HG SER 28 -3.656 -8.056 1.804
201 HA PRO 29 HA PRO 29 -9.279 -7.390 3.433
202 HB2 PRO 29 HB2 PRO 29 -8.135 -5.759 5.644
203 HB3 PRO 29 HB3 PRO 29 -8.967 -7.326 5.713
204 HG2 PRO 29 HG2 PRO 29 -6.336 -7.229 6.033
205 HG3 PRO 29 HG3 PRO 29 -7.069 -8.515 5.038
206 HD2 PRO 29 HD2 PRO 29 -5.686 -5.988 4.149
207 HD3 PRO 29 HD3 PRO 29 -5.548 -7.641 3.496
208 H LEU 30 H LEU 30 -7.713 -4.438 2.766
209 HA LEU 30 HA LEU 30 -10.007 -2.768 3.446
210 HB2 LEU 30 HB2 LEU 30 -7.478 -2.198 3.780
211 HB3 LEU 30 HB3 LEU 30 -7.497 -1.862 2.042
212 HG LEU 30 HG LEU 30 -9.069 -0.413 4.197
213 HD11 LEU 30 HD11 LEU 30 -7.682 1.506 3.439
214 HD12 LEU 30 HD12 LEU 30 -6.769 0.395 2.416
215 HD13 LEU 30 HD13 LEU 30 -6.745 0.203 4.168
216 HD21 LEU 30 HD21 LEU 30 -9.815 1.093 2.408
217 HD22 LEU 30 HD22 LEU 30 -10.415 -0.549 2.163
218 HD23 LEU 30 HD23 LEU 30 -9.057 0.045 1.209
219 H GLU 31 H GLU 31 -7.952 -3.357 0.623
220 HA GLU 31 HA GLU 31 -9.816 -2.096 -1.172
221 HB2 GLU 31 HB2 GLU 31 -7.208 -2.149 -1.262
222 HB3 GLU 31 HB3 GLU 31 -7.433 -3.729 -2.021
223 HG2 GLU 31 HG2 GLU 31 -8.740 -1.247 -3.116
224 HG3 GLU 31 HG3 GLU 31 -7.088 -1.709 -3.543
225 H ARG 32 H ARG 32 -8.538 -5.386 -0.820
226 HA ARG 32 HA ARG 32 -9.402 -7.447 -1.252
227 HB2 ARG 32 HB2 ARG 32 -11.227 -6.763 0.194
228 HB3 ARG 32 HB3 ARG 32 -12.006 -5.899 -1.138
229 HG2 ARG 32 HG2 ARG 32 -12.368 -8.046 -2.308
230 HG3 ARG 32 HG3 ARG 32 -11.607 -8.899 -0.966
231 HD2 ARG 32 HD2 ARG 32 -14.164 -8.812 -1.040
232 HD3 ARG 32 HD3 ARG 32 -13.378 -8.443 0.490
233 HE ARG 32 HE ARG 32 -13.657 -6.002 -0.423
234 HH11 ARG 32 HH11 ARG 32 -15.933 -8.635 -0.724
235 HH12 ARG 32 HH12 ARG 32 -17.327 -7.608 -0.652
236 HH21 ARG 32 HH21 ARG 32 -15.480 -4.641 -0.332
237 HH22 ARG 32 HH22 ARG 32 -17.070 -5.329 -0.432
238 H SER 33 H SER 33 -8.512 -7.836 -3.221
239 HA SER 33 HA SER 33 -10.419 -7.846 -5.422
240 HB2 SER 33 HB2 SER 33 -8.439 -7.126 -6.952
241 HB3 SER 33 HB3 SER 33 -9.297 -5.877 -6.050
242 HG SER 33 HG SER 33 -7.562 -5.483 -4.940
Start of MODEL 13
1 HA ALA 1 HA ALA 1 -16.583 2.864 -0.832
2 HB1 ALA 1 HB1 ALA 1 -18.804 3.264 -1.784
3 HB2 ALA 1 HB2 ALA 1 -17.554 4.157 -2.651
4 HB3 ALA 1 HB3 ALA 1 -18.605 4.994 -1.510
5 H SER 2 H SER 2 -14.605 3.663 -0.999
6 HA SER 2 HA SER 2 -14.078 6.475 -1.165
7 HB2 SER 2 HB2 SER 2 -14.395 6.041 1.365
8 HB3 SER 2 HB3 SER 2 -12.895 5.119 1.272
9 HG SER 2 HG SER 2 -12.728 7.421 1.849
10 HA PRO 3 HA PRO 3 -11.237 3.310 -3.160
11 HB2 PRO 3 HB2 PRO 3 -11.295 5.363 -5.304
12 HB3 PRO 3 HB3 PRO 3 -11.459 3.598 -5.418
13 HG2 PRO 3 HG2 PRO 3 -13.574 5.188 -5.720
14 HG3 PRO 3 HG3 PRO 3 -13.700 3.634 -4.868
15 HD2 PRO 3 HD2 PRO 3 -13.594 6.415 -3.707
16 HD3 PRO 3 HD3 PRO 3 -14.547 4.991 -3.181
17 H GLN 4 H GLN 4 -10.999 6.694 -2.464
18 HA GLN 4 HA GLN 4 -8.282 7.023 -3.256
19 HB2 GLN 4 HB2 GLN 4 -10.014 8.635 -1.387
20 HB3 GLN 4 HB3 GLN 4 -8.363 9.075 -1.804
21 HG2 GLN 4 HG2 GLN 4 -10.627 8.777 -3.783
22 HG3 GLN 4 HG3 GLN 4 -10.027 10.307 -3.145
23 HE21 GLN 4 HE21 GLN 4 -7.236 9.450 -3.195
24 HE22 GLN 4 HE22 GLN 4 -6.763 9.469 -4.863
25 H GLN 5 H GLN 5 -9.857 6.100 -0.250
26 HA GLN 5 HA GLN 5 -7.550 6.304 1.367
27 HB2 GLN 5 HB2 GLN 5 -8.745 5.192 3.075
28 HB3 GLN 5 HB3 GLN 5 -9.946 6.118 2.189
29 HG2 GLN 5 HG2 GLN 5 -10.664 4.104 1.022
30 HG3 GLN 5 HG3 GLN 5 -9.419 3.174 1.849
31 HE21 GLN 5 HE21 GLN 5 -11.241 5.691 3.442
32 HE22 GLN 5 HE22 GLN 5 -12.155 4.641 4.470
33 H ALA 6 H ALA 6 -8.836 3.729 -0.608
34 HA ALA 6 HA ALA 6 -6.892 1.778 0.129
35 HB1 ALA 6 HB1 ALA 6 -7.587 0.627 -1.969
36 HB2 ALA 6 HB2 ALA 6 -8.620 2.006 -2.336
37 HB3 ALA 6 HB3 ALA 6 -8.934 1.029 -0.902
38 H LYS 7 H LYS 7 -7.145 4.129 -2.486
39 HA LYS 7 HA LYS 7 -4.824 3.430 -3.891
40 HB2 LYS 7 HB2 LYS 7 -6.490 4.912 -4.856
41 HB3 LYS 7 HB3 LYS 7 -6.221 6.101 -3.592
42 HG2 LYS 7 HG2 LYS 7 -5.171 6.845 -5.604
43 HG3 LYS 7 HG3 LYS 7 -3.914 6.420 -4.415
44 HD2 LYS 7 HD2 LYS 7 -3.710 4.189 -5.535
45 HD3 LYS 7 HD3 LYS 7 -4.835 4.750 -6.779
46 HE2 LYS 7 HE2 LYS 7 -2.514 5.001 -7.531
47 HE3 LYS 7 HE3 LYS 7 -3.286 6.575 -7.339
48 HZ1 LYS 7 HZ1 LYS 7 -2.201 6.795 -5.173
49 HZ2 LYS 7 HZ2 LYS 7 -1.068 6.583 -6.414
50 HZ3 LYS 7 HZ3 LYS 7 -1.453 5.293 -5.395
51 H TYR 8 H TYR 8 -5.344 5.560 -1.152
52 HA TYR 8 HA TYR 8 -2.741 6.651 -1.002
53 HB2 TYR 8 HB2 TYR 8 -4.844 7.535 0.096
54 HB3 TYR 8 HB3 TYR 8 -4.705 6.221 1.263
55 HD1 TYR 8 HD1 TYR 8 -3.049 9.276 0.009
56 HD2 TYR 8 HD2 TYR 8 -3.284 6.400 3.131
57 HE1 TYR 8 HE1 TYR 8 -1.650 10.714 1.428
58 HE2 TYR 8 HE2 TYR 8 -1.880 7.823 4.561
59 HH TYR 8 HH TYR 8 -0.107 9.677 4.150
60 H CYS 9 H CYS 9 -4.231 3.779 0.403
61 HA CYS 9 HA CYS 9 -2.199 3.097 2.224
62 HB2 CYS 9 HB2 CYS 9 -4.528 2.098 2.099
63 HB3 CYS 9 HB3 CYS 9 -3.969 1.121 0.735
64 H TYR 10 H TYR 10 -2.685 2.224 -1.166
65 HA TYR 10 HA TYR 10 -0.440 0.459 -1.259
66 HB2 TYR 10 HB2 TYR 10 -2.251 1.612 -3.383
67 HB3 TYR 10 HB3 TYR 10 -0.860 0.596 -3.780
68 HD1 TYR 10 HD1 TYR 10 -0.781 -1.733 -2.966
69 HD2 TYR 10 HD2 TYR 10 -4.276 0.653 -2.552
70 HE1 TYR 10 HE1 TYR 10 -2.113 -3.749 -2.609
71 HE2 TYR 10 HE2 TYR 10 -5.613 -1.362 -2.188
72 HH TYR 10 HH TYR 10 -5.455 -3.815 -2.790
73 H GLU 11 H GLU 11 -0.958 3.842 -2.245
74 HA GLU 11 HA GLU 11 1.529 3.998 -3.610
75 HB2 GLU 11 HB2 GLU 11 1.117 6.378 -3.776
76 HB3 GLU 11 HB3 GLU 11 -0.359 5.472 -4.145
77 HG2 GLU 11 HG2 GLU 11 -1.226 5.973 -1.941
78 HG3 GLU 11 HG3 GLU 11 0.266 6.867 -1.553
79 H GLN 12 H GLN 12 0.510 4.772 -0.313
80 HA GLN 12 HA GLN 12 2.944 6.002 0.420
81 HB2 GLN 12 HB2 GLN 12 0.738 4.727 2.016
82 HB3 GLN 12 HB3 GLN 12 2.179 5.369 2.787
83 HG2 GLN 12 HG2 GLN 12 0.660 7.069 0.887
84 HG3 GLN 12 HG3 GLN 12 0.050 6.824 2.516
85 HE21 GLN 12 HE21 GLN 12 3.466 6.823 1.887
86 HE22 GLN 12 HE22 GLN 12 3.801 8.349 2.633
87 H CYS 13 H CYS 13 2.024 2.687 0.039
88 HA CYS 13 HA CYS 13 3.942 1.462 1.647
89 HB2 CYS 13 HB2 CYS 13 2.641 0.600 -0.936
90 HB3 CYS 13 HB3 CYS 13 3.868 -0.393 -0.146
91 H ASN 14 H ASN 14 4.242 2.379 -1.816
92 HA ASN 14 HA ASN 14 7.009 1.656 -1.855
93 HB2 ASN 14 HB2 ASN 14 7.011 2.800 -4.102
94 HB3 ASN 14 HB3 ASN 14 5.830 1.512 -3.922
95 HD21 ASN 14 HD21 ASN 14 6.219 5.035 -4.044
96 HD22 ASN 14 HD22 ASN 14 4.569 5.354 -4.452
97 H VAL 15 H VAL 15 5.248 4.566 -1.154
98 HA VAL 15 HA VAL 15 7.403 6.378 -1.335
99 HB VAL 15 HB VAL 15 4.891 6.508 0.345
100 HG11 VAL 15 HG11 VAL 15 6.623 7.897 1.363
101 HG12 VAL 15 HG12 VAL 15 5.380 8.904 0.618
102 HG13 VAL 15 HG13 VAL 15 6.929 8.675 -0.191
103 HG21 VAL 15 HG21 VAL 15 4.493 6.549 -2.071
104 HG22 VAL 15 HG22 VAL 15 5.648 7.871 -2.246
105 HG23 VAL 15 HG23 VAL 15 4.148 8.124 -1.353
106 H ASN 16 H ASN 16 6.246 4.270 1.284
107 HA ASN 16 HA ASN 16 8.234 5.313 3.114
108 HB2 ASN 16 HB2 ASN 16 6.469 2.850 3.345
109 HB3 ASN 16 HB3 ASN 16 7.491 3.503 4.629
110 HD21 ASN 16 HD21 ASN 16 6.888 6.271 3.938
111 HD22 ASN 16 HD22 ASN 16 5.273 6.549 4.499
112 H LYS 17 H LYS 17 7.705 1.896 2.369
113 HA LYS 17 HA LYS 17 9.723 1.395 0.599
114 HB2 LYS 17 HB2 LYS 17 10.727 1.475 3.377
115 HB3 LYS 17 HB3 LYS 17 11.179 0.047 2.439
116 HG2 LYS 17 HG2 LYS 17 12.159 1.483 0.716
117 HG3 LYS 17 HG3 LYS 17 11.687 2.919 1.634
118 HD2 LYS 17 HD2 LYS 17 13.080 1.996 3.555
119 HD3 LYS 17 HD3 LYS 17 13.677 0.779 2.405
120 HE2 LYS 17 HE2 LYS 17 13.949 3.775 2.133
121 HE3 LYS 17 HE3 LYS 17 15.234 2.643 2.548
122 HZ1 LYS 17 HZ1 LYS 17 14.980 1.617 0.377
123 HZ2 LYS 17 HZ2 LYS 17 15.318 3.267 0.218
124 HZ3 LYS 17 HZ3 LYS 17 13.743 2.700 -0.021
125 H VAL 18 H VAL 18 7.895 0.032 -0.050
126 HA VAL 18 HA VAL 18 8.209 -2.629 0.962
127 HB VAL 18 HB VAL 18 6.588 -2.664 2.510
128 HG11 VAL 18 HG11 VAL 18 6.634 -0.244 2.720
129 HG12 VAL 18 HG12 VAL 18 4.992 -0.861 2.913
130 HG13 VAL 18 HG13 VAL 18 5.475 -0.094 1.401
131 HG21 VAL 18 HG21 VAL 18 4.282 -2.908 1.759
132 HG22 VAL 18 HG22 VAL 18 5.391 -3.746 0.670
133 HG23 VAL 18 HG23 VAL 18 4.704 -2.194 0.201
134 HA PRO 19 HA PRO 19 7.312 -3.397 -3.343
135 HB2 PRO 19 HB2 PRO 19 6.981 -6.181 -2.415
136 HB3 PRO 19 HB3 PRO 19 8.102 -5.524 -3.622
137 HG2 PRO 19 HG2 PRO 19 8.965 -6.336 -1.215
138 HG3 PRO 19 HG3 PRO 19 9.677 -4.942 -2.050
139 HD2 PRO 19 HD2 PRO 19 7.734 -4.981 0.238
140 HD3 PRO 19 HD3 PRO 19 9.115 -3.901 -0.077
141 H PHE 20 H PHE 20 5.489 -4.032 -4.635
142 HA PHE 20 HA PHE 20 3.036 -3.360 -3.535
143 HB2 PHE 20 HB2 PHE 20 3.557 -3.310 -5.972
144 HB3 PHE 20 HB3 PHE 20 3.410 -5.064 -6.006
145 HD1 PHE 20 HD1 PHE 20 1.264 -6.131 -5.922
146 HD2 PHE 20 HD2 PHE 20 1.607 -1.905 -5.585
147 HE1 PHE 20 HE1 PHE 20 -1.161 -5.911 -6.269
148 HE2 PHE 20 HE2 PHE 20 -0.816 -1.677 -5.931
149 HZ PHE 20 HZ PHE 20 -2.204 -3.680 -6.272
150 H ASP 21 H ASP 21 4.331 -6.615 -4.129
151 HA ASP 21 HA ASP 21 1.969 -8.019 -3.546
152 HB2 ASP 21 HB2 ASP 21 3.379 -9.999 -3.284
153 HB3 ASP 21 HB3 ASP 21 3.867 -9.073 -4.699
154 H GLN 22 H GLN 22 4.616 -6.985 -1.442
155 HA GLN 22 HA GLN 22 3.507 -8.143 0.908
156 HB2 GLN 22 HB2 GLN 22 5.865 -7.624 0.846
157 HB3 GLN 22 HB3 GLN 22 5.531 -5.926 0.537
158 HG2 GLN 22 HG2 GLN 22 4.398 -5.832 2.764
159 HG3 GLN 22 HG3 GLN 22 4.986 -7.472 3.055
160 HE21 GLN 22 HE21 GLN 22 7.499 -7.023 1.658
161 HE22 GLN 22 HE22 GLN 22 8.465 -6.046 2.713
162 H CYS 23 H CYS 23 3.229 -4.995 -0.672
163 HA CYS 23 HA CYS 23 1.765 -3.681 1.357
164 HB2 CYS 23 HB2 CYS 23 2.739 -2.568 -0.706
165 HB3 CYS 23 HB3 CYS 23 1.392 -3.246 -1.618
166 H TYR 24 H TYR 24 0.780 -5.735 -1.317
167 HA TYR 24 HA TYR 24 -1.986 -5.545 -1.058
168 HB2 TYR 24 HB2 TYR 24 -0.667 -6.726 -2.903
169 HB3 TYR 24 HB3 TYR 24 -0.509 -8.088 -1.783
170 HD1 TYR 24 HD1 TYR 24 -2.494 -9.383 -1.123
171 HD2 TYR 24 HD2 TYR 24 -2.738 -6.252 -3.988
172 HE1 TYR 24 HE1 TYR 24 -4.683 -10.220 -1.841
173 HE2 TYR 24 HE2 TYR 24 -4.930 -7.078 -4.714
174 HH TYR 24 HH TYR 24 -6.674 -9.467 -2.961
175 H GLN 25 H GLN 25 0.347 -7.214 0.909
176 HA GLN 25 HA GLN 25 -1.589 -8.979 2.099
177 HB2 GLN 25 HB2 GLN 25 1.274 -8.293 2.788
178 HB3 GLN 25 HB3 GLN 25 0.296 -9.359 3.795
179 HG2 GLN 25 HG2 GLN 25 0.896 -9.843 0.867
180 HG3 GLN 25 HG3 GLN 25 1.748 -10.592 2.215
181 HE21 GLN 25 HE21 GLN 25 0.153 -11.737 0.041
182 HE22 GLN 25 HE22 GLN 25 -1.080 -12.680 0.808
183 H MET 26 H MET 26 -0.378 -5.781 2.727
184 HA MET 26 HA MET 26 -1.600 -5.708 5.360
185 HB2 MET 26 HB2 MET 26 0.523 -4.611 5.192
186 HB3 MET 26 HB3 MET 26 0.002 -3.705 3.781
187 HG2 MET 26 HG2 MET 26 -1.588 -2.453 5.169
188 HG3 MET 26 HG3 MET 26 -1.049 -3.354 6.585
189 HE1 MET 26 HE1 MET 26 1.738 -0.498 4.241
190 HE2 MET 26 HE2 MET 26 0.109 -0.917 3.713
191 HE3 MET 26 HE3 MET 26 1.384 -2.133 3.691
192 H CYS 27 H CYS 27 -2.054 -4.122 2.191
193 HA CYS 27 HA CYS 27 -4.322 -2.632 3.215
194 HB2 CYS 27 HB2 CYS 27 -3.281 -2.805 0.363
195 HB3 CYS 27 HB3 CYS 27 -4.458 -1.632 0.985
196 H SER 28 H SER 28 -4.045 -5.784 2.197
197 HA SER 28 HA SER 28 -6.187 -6.096 0.449
198 HB2 SER 28 HB2 SER 28 -6.266 -8.496 1.488
199 HB3 SER 28 HB3 SER 28 -4.876 -7.978 0.527
200 HG SER 28 HG SER 28 -3.660 -8.081 2.231
201 HA PRO 29 HA PRO 29 -9.129 -6.946 4.288
202 HB2 PRO 29 HB2 PRO 29 -7.809 -5.106 6.222
203 HB3 PRO 29 HB3 PRO 29 -8.659 -6.635 6.523
204 HG2 PRO 29 HG2 PRO 29 -6.006 -6.564 6.633
205 HG3 PRO 29 HG3 PRO 29 -6.837 -7.936 5.855
206 HD2 PRO 29 HD2 PRO 29 -5.462 -5.579 4.579
207 HD3 PRO 29 HD3 PRO 29 -5.441 -7.296 4.103
208 H LEU 30 H LEU 30 -7.574 -4.079 3.262
209 HA LEU 30 HA LEU 30 -9.820 -2.347 3.892
210 HB2 LEU 30 HB2 LEU 30 -7.293 -1.748 4.051
211 HB3 LEU 30 HB3 LEU 30 -7.384 -1.593 2.289
212 HG LEU 30 HG LEU 30 -8.911 0.059 4.330
213 HD11 LEU 30 HD11 LEU 30 -6.645 0.714 2.450
214 HD12 LEU 30 HD12 LEU 30 -6.572 0.652 4.212
215 HD13 LEU 30 HD13 LEU 30 -7.534 1.896 3.411
216 HD21 LEU 30 HD21 LEU 30 -9.786 1.333 2.491
217 HD22 LEU 30 HD22 LEU 30 -10.192 -0.364 2.225
218 HD23 LEU 30 HD23 LEU 30 -8.869 0.380 1.327
219 H GLU 31 H GLU 31 -7.916 -3.099 0.980
220 HA GLU 31 HA GLU 31 -9.898 -1.912 -0.713
221 HB2 GLU 31 HB2 GLU 31 -7.478 -1.814 -1.248
222 HB3 GLU 31 HB3 GLU 31 -7.479 -3.566 -1.482
223 HG2 GLU 31 HG2 GLU 31 -9.171 -3.247 -3.292
224 HG3 GLU 31 HG3 GLU 31 -8.932 -1.503 -3.141
225 H ARG 32 H ARG 32 -9.335 -5.128 0.427
226 HA ARG 32 HA ARG 32 -11.185 -6.152 -1.634
227 HB2 ARG 32 HB2 ARG 32 -9.168 -7.807 -0.084
228 HB3 ARG 32 HB3 ARG 32 -10.149 -8.337 -1.452
229 HG2 ARG 32 HG2 ARG 32 -7.893 -6.305 -1.574
230 HG3 ARG 32 HG3 ARG 32 -7.784 -7.987 -2.082
231 HD2 ARG 32 HD2 ARG 32 -9.343 -5.739 -3.348
232 HD3 ARG 32 HD3 ARG 32 -8.066 -6.726 -4.046
233 HE ARG 32 HE ARG 32 -10.115 -8.465 -3.393
234 HH11 ARG 32 HH11 ARG 32 -9.583 -5.765 -5.555
235 HH12 ARG 32 HH12 ARG 32 -10.774 -6.284 -6.704
236 HH21 ARG 32 HH21 ARG 32 -11.680 -9.158 -4.921
237 HH22 ARG 32 HH22 ARG 32 -11.965 -8.202 -6.341
238 H SER 33 H SER 33 -13.126 -6.534 -0.857
239 HA SER 33 HA SER 33 -13.425 -8.000 1.631
240 HB2 SER 33 HB2 SER 33 -14.788 -5.307 1.251
241 HB3 SER 33 HB3 SER 33 -15.047 -6.413 2.599
242 HG SER 33 HG SER 33 -12.421 -5.950 2.329
Start of MODEL 14
1 HA ALA 1 HA ALA 1 -15.180 0.296 0.871
2 HB1 ALA 1 HB1 ALA 1 -17.715 1.439 2.034
3 HB2 ALA 1 HB2 ALA 1 -17.575 -0.073 1.135
4 HB3 ALA 1 HB3 ALA 1 -17.255 1.464 0.331
5 H SER 2 H SER 2 -13.422 1.603 0.911
6 HA SER 2 HA SER 2 -13.913 4.441 1.160
7 HB2 SER 2 HB2 SER 2 -11.925 3.066 3.008
8 HB3 SER 2 HB3 SER 2 -11.989 4.808 2.747
9 HG SER 2 HG SER 2 -14.411 3.671 3.396
10 HA PRO 3 HA PRO 3 -11.069 2.713 -2.224
11 HB2 PRO 3 HB2 PRO 3 -12.462 5.026 -3.515
12 HB3 PRO 3 HB3 PRO 3 -11.999 3.455 -4.212
13 HG2 PRO 3 HG2 PRO 3 -14.507 3.870 -3.546
14 HG3 PRO 3 HG3 PRO 3 -13.726 2.331 -3.118
15 HD2 PRO 3 HD2 PRO 3 -14.339 4.683 -1.333
16 HD3 PRO 3 HD3 PRO 3 -14.453 2.927 -0.992
17 H GLN 4 H GLN 4 -11.675 6.052 -1.168
18 HA GLN 4 HA GLN 4 -9.408 7.131 -2.460
19 HB2 GLN 4 HB2 GLN 4 -9.879 9.170 -1.377
20 HB3 GLN 4 HB3 GLN 4 -11.434 8.418 -1.683
21 HG2 GLN 4 HG2 GLN 4 -11.778 9.122 0.461
22 HG3 GLN 4 HG3 GLN 4 -11.088 7.535 0.793
23 HE21 GLN 4 HE21 GLN 4 -9.165 10.228 -0.358
24 HE22 GLN 4 HE22 GLN 4 -8.285 10.465 1.113
25 H GLN 5 H GLN 5 -9.873 5.942 0.837
26 HA GLN 5 HA GLN 5 -7.213 6.688 1.597
27 HB2 GLN 5 HB2 GLN 5 -7.632 5.787 3.718
28 HB3 GLN 5 HB3 GLN 5 -9.188 6.412 3.197
29 HG2 GLN 5 HG2 GLN 5 -9.998 4.224 2.721
30 HG3 GLN 5 HG3 GLN 5 -8.390 3.527 2.913
31 HE21 GLN 5 HE21 GLN 5 -9.583 5.993 5.058
32 HE22 GLN 5 HE22 GLN 5 -9.774 4.970 6.440
33 H ALA 6 H ALA 6 -8.740 3.887 0.269
34 HA ALA 6 HA ALA 6 -6.639 2.046 0.692
35 HB1 ALA 6 HB1 ALA 6 -8.650 2.077 -1.550
36 HB2 ALA 6 HB2 ALA 6 -8.902 1.345 0.034
37 HB3 ALA 6 HB3 ALA 6 -7.663 0.709 -1.049
38 H LYS 7 H LYS 7 -7.341 4.351 -1.880
39 HA LYS 7 HA LYS 7 -5.260 3.610 -3.626
40 HB2 LYS 7 HB2 LYS 7 -7.181 5.135 -4.184
41 HB3 LYS 7 HB3 LYS 7 -6.407 6.383 -3.224
42 HG2 LYS 7 HG2 LYS 7 -5.962 6.769 -5.551
43 HG3 LYS 7 HG3 LYS 7 -4.449 6.306 -4.727
44 HD2 LYS 7 HD2 LYS 7 -4.694 4.009 -5.558
45 HD3 LYS 7 HD3 LYS 7 -6.218 4.437 -6.345
46 HE2 LYS 7 HE2 LYS 7 -4.354 4.398 -7.955
47 HE3 LYS 7 HE3 LYS 7 -5.034 6.017 -7.792
48 HZ1 LYS 7 HZ1 LYS 7 -2.602 5.083 -6.369
49 HZ2 LYS 7 HZ2 LYS 7 -3.206 6.663 -6.416
50 HZ3 LYS 7 HZ3 LYS 7 -2.579 5.954 -7.816
51 H TYR 8 H TYR 8 -5.395 5.696 -0.823
52 HA TYR 8 HA TYR 8 -2.801 6.808 -1.022
53 HB2 TYR 8 HB2 TYR 8 -4.698 7.656 0.423
54 HB3 TYR 8 HB3 TYR 8 -4.386 6.301 1.508
55 HD1 TYR 8 HD1 TYR 8 -2.609 6.382 3.092
56 HD2 TYR 8 HD2 TYR 8 -2.993 9.423 0.145
57 HE1 TYR 8 HE1 TYR 8 -0.965 7.754 4.304
58 HE2 TYR 8 HE2 TYR 8 -1.348 10.803 1.341
59 HH TYR 8 HH TYR 8 0.607 9.584 3.841
60 H CYS 9 H CYS 9 -4.100 3.938 0.576
61 HA CYS 9 HA CYS 9 -1.757 3.118 1.897
62 HB2 CYS 9 HB2 CYS 9 -4.093 2.203 2.265
63 HB3 CYS 9 HB3 CYS 9 -3.896 1.274 0.773
64 H TYR 10 H TYR 10 -3.042 2.257 -1.302
65 HA TYR 10 HA TYR 10 -0.883 0.503 -1.936
66 HB2 TYR 10 HB2 TYR 10 -3.121 1.722 -3.548
67 HB3 TYR 10 HB3 TYR 10 -1.837 0.793 -4.326
68 HD1 TYR 10 HD1 TYR 10 -4.931 0.631 -2.492
69 HD2 TYR 10 HD2 TYR 10 -1.475 -1.583 -3.611
70 HE1 TYR 10 HE1 TYR 10 -6.117 -1.462 -2.004
71 HE2 TYR 10 HE2 TYR 10 -2.650 -3.674 -3.129
72 HH TYR 10 HH TYR 10 -5.978 -3.880 -2.667
73 H GLU 11 H GLU 11 -1.297 3.930 -2.235
74 HA GLU 11 HA GLU 11 0.823 4.146 -4.189
75 HB2 GLU 11 HB2 GLU 11 -1.113 5.683 -4.281
76 HB3 GLU 11 HB3 GLU 11 -0.654 6.338 -2.696
77 HG2 GLU 11 HG2 GLU 11 1.372 7.243 -3.589
78 HG3 GLU 11 HG3 GLU 11 1.099 6.440 -5.151
79 H GLN 12 H GLN 12 0.376 4.843 -0.727
80 HA GLN 12 HA GLN 12 3.015 5.981 -0.530
81 HB2 GLN 12 HB2 GLN 12 1.006 5.355 1.637
82 HB3 GLN 12 HB3 GLN 12 2.490 6.266 1.843
83 HG2 GLN 12 HG2 GLN 12 0.246 7.042 0.020
84 HG3 GLN 12 HG3 GLN 12 0.508 7.681 1.635
85 HE21 GLN 12 HE21 GLN 12 1.596 7.642 -1.635
86 HE22 GLN 12 HE22 GLN 12 2.665 9.000 -1.518
87 H CYS 13 H CYS 13 1.736 2.827 -0.338
88 HA CYS 13 HA CYS 13 3.224 1.712 1.740
89 HB2 CYS 13 HB2 CYS 13 2.802 -0.464 0.639
90 HB3 CYS 13 HB3 CYS 13 1.345 0.537 0.675
91 H ASN 14 H ASN 14 4.035 1.666 -1.756
92 HA ASN 14 HA ASN 14 6.663 0.641 -1.265
93 HB2 ASN 14 HB2 ASN 14 5.463 0.398 -3.467
94 HB3 ASN 14 HB3 ASN 14 5.732 2.116 -3.750
95 HD21 ASN 14 HD21 ASN 14 8.021 -0.117 -2.239
96 HD22 ASN 14 HD22 ASN 14 9.208 0.004 -3.492
97 H VAL 15 H VAL 15 5.298 3.834 -1.344
98 HA VAL 15 HA VAL 15 7.685 5.295 -1.724
99 HB VAL 15 HB VAL 15 5.080 6.073 -0.404
100 HG11 VAL 15 HG11 VAL 15 7.405 7.857 -1.136
101 HG12 VAL 15 HG12 VAL 15 6.892 7.451 0.500
102 HG13 VAL 15 HG13 VAL 15 5.834 8.397 -0.547
103 HG21 VAL 15 HG21 VAL 15 4.908 5.624 -2.792
104 HG22 VAL 15 HG22 VAL 15 6.255 6.714 -3.113
105 HG23 VAL 15 HG23 VAL 15 4.737 7.350 -2.484
106 H ASN 16 H ASN 16 6.016 4.122 1.185
107 HA ASN 16 HA ASN 16 7.872 5.280 3.019
108 HB2 ASN 16 HB2 ASN 16 6.069 2.856 3.356
109 HB3 ASN 16 HB3 ASN 16 6.938 3.672 4.659
110 HD21 ASN 16 HD21 ASN 16 6.447 6.323 3.566
111 HD22 ASN 16 HD22 ASN 16 4.782 6.662 3.886
112 H LYS 17 H LYS 17 7.380 1.798 2.592
113 HA LYS 17 HA LYS 17 9.661 1.173 1.217
114 HB2 LYS 17 HB2 LYS 17 11.116 0.173 2.992
115 HB3 LYS 17 HB3 LYS 17 11.057 1.937 2.999
116 HG2 LYS 17 HG2 LYS 17 10.675 1.787 5.183
117 HG3 LYS 17 HG3 LYS 17 9.051 1.234 4.767
118 HD2 LYS 17 HD2 LYS 17 9.874 -1.127 4.804
119 HD3 LYS 17 HD3 LYS 17 11.480 -0.515 5.262
120 HE2 LYS 17 HE2 LYS 17 10.576 0.401 7.318
121 HE3 LYS 17 HE3 LYS 17 8.950 -0.103 6.858
122 HZ1 LYS 17 HZ1 LYS 17 11.244 -1.913 7.383
123 HZ2 LYS 17 HZ2 LYS 17 9.697 -2.403 6.915
124 HZ3 LYS 17 HZ3 LYS 17 9.928 -1.654 8.412
125 H VAL 18 H VAL 18 7.926 -0.185 0.340
126 HA VAL 18 HA VAL 18 8.065 -2.792 1.626
127 HB VAL 18 HB VAL 18 5.814 -3.292 1.826
128 HG11 VAL 18 HG11 VAL 18 6.356 -1.590 3.487
129 HG12 VAL 18 HG12 VAL 18 4.654 -1.545 3.031
130 HG13 VAL 18 HG13 VAL 18 5.768 -0.332 2.398
131 HG21 VAL 18 HG21 VAL 18 3.982 -2.110 0.719
132 HG22 VAL 18 HG22 VAL 18 5.176 -2.740 -0.422
133 HG23 VAL 18 HG23 VAL 18 5.150 -1.017 -0.030
134 HA PRO 19 HA PRO 19 8.195 -4.059 -2.708
135 HB2 PRO 19 HB2 PRO 19 7.384 -6.691 -1.675
136 HB3 PRO 19 HB3 PRO 19 8.857 -6.240 -2.554
137 HG2 PRO 19 HG2 PRO 19 8.913 -6.877 0.058
138 HG3 PRO 19 HG3 PRO 19 9.987 -5.653 -0.643
139 HD2 PRO 19 HD2 PRO 19 7.481 -5.258 0.962
140 HD3 PRO 19 HD3 PRO 19 9.021 -4.366 1.008
141 H PHE 20 H PHE 20 6.627 -4.756 -4.305
142 HA PHE 20 HA PHE 20 4.059 -3.809 -3.928
143 HB2 PHE 20 HB2 PHE 20 5.120 -4.283 -6.149
144 HB3 PHE 20 HB3 PHE 20 4.793 -5.993 -5.891
145 HD1 PHE 20 HD1 PHE 20 3.312 -2.714 -6.539
146 HD2 PHE 20 HD2 PHE 20 2.560 -6.877 -6.071
147 HE1 PHE 20 HE1 PHE 20 1.063 -2.412 -7.486
148 HE2 PHE 20 HE2 PHE 20 0.314 -6.582 -7.025
149 HZ PHE 20 HZ PHE 20 -0.437 -4.349 -7.731
150 H ASP 21 H ASP 21 5.168 -7.180 -3.655
151 HA ASP 21 HA ASP 21 2.656 -8.340 -3.221
152 HB2 ASP 21 HB2 ASP 21 3.901 -10.218 -2.174
153 HB3 ASP 21 HB3 ASP 21 4.559 -9.739 -3.735
154 H GLN 22 H GLN 22 4.956 -6.935 -0.933
155 HA GLN 22 HA GLN 22 3.485 -7.504 1.412
156 HB2 GLN 22 HB2 GLN 22 5.836 -6.861 1.476
157 HB3 GLN 22 HB3 GLN 22 5.437 -5.277 0.819
158 HG2 GLN 22 HG2 GLN 22 5.793 -5.070 3.166
159 HG3 GLN 22 HG3 GLN 22 4.073 -4.832 2.825
160 HE21 GLN 22 HE21 GLN 22 5.562 -7.993 2.836
161 HE22 GLN 22 HE22 GLN 22 4.780 -8.559 4.272
162 H CYS 23 H CYS 23 3.446 -4.827 -0.888
163 HA CYS 23 HA CYS 23 1.750 -3.089 0.545
164 HB2 CYS 23 HB2 CYS 23 3.000 -2.440 -1.552
165 HB3 CYS 23 HB3 CYS 23 1.837 -3.394 -2.474
166 H TYR 24 H TYR 24 1.023 -5.640 -1.798
167 HA TYR 24 HA TYR 24 -1.768 -5.430 -1.674
168 HB2 TYR 24 HB2 TYR 24 -0.644 -6.768 -3.406
169 HB3 TYR 24 HB3 TYR 24 -0.062 -7.896 -2.169
170 HD1 TYR 24 HD1 TYR 24 -1.402 -9.681 -1.441
171 HD2 TYR 24 HD2 TYR 24 -3.134 -6.599 -3.800
172 HE1 TYR 24 HE1 TYR 24 -3.443 -11.021 -1.683
173 HE2 TYR 24 HE2 TYR 24 -5.180 -7.929 -4.050
174 HH TYR 24 HH TYR 24 -5.805 -10.367 -3.967
175 H GLN 25 H GLN 25 0.533 -7.116 0.398
176 HA GLN 25 HA GLN 25 -1.361 -8.747 1.732
177 HB2 GLN 25 HB2 GLN 25 1.377 -7.768 2.571
178 HB3 GLN 25 HB3 GLN 25 0.413 -8.835 3.575
179 HG2 GLN 25 HG2 GLN 25 0.440 -10.533 1.773
180 HG3 GLN 25 HG3 GLN 25 1.458 -9.471 0.803
181 HE21 GLN 25 HE21 GLN 25 1.285 -11.466 3.643
182 HE22 GLN 25 HE22 GLN 25 2.992 -11.579 3.904
183 H MET 26 H MET 26 -0.156 -5.501 2.376
184 HA MET 26 HA MET 26 -1.536 -5.379 4.905
185 HB2 MET 26 HB2 MET 26 0.561 -4.233 4.785
186 HB3 MET 26 HB3 MET 26 0.072 -3.378 3.331
187 HG2 MET 26 HG2 MET 26 -1.631 -2.162 4.650
188 HG3 MET 26 HG3 MET 26 -1.040 -2.969 6.103
189 HE1 MET 26 HE1 MET 26 1.570 -0.068 3.614
190 HE2 MET 26 HE2 MET 26 -0.026 -0.621 3.111
191 HE3 MET 26 HE3 MET 26 1.328 -1.750 3.150
192 H CYS 27 H CYS 27 -1.949 -3.919 1.679
193 HA CYS 27 HA CYS 27 -4.171 -2.349 2.678
194 HB2 CYS 27 HB2 CYS 27 -3.138 -2.524 -0.166
195 HB3 CYS 27 HB3 CYS 27 -4.204 -1.282 0.515
196 H SER 28 H SER 28 -3.881 -5.450 1.169
197 HA SER 28 HA SER 28 -6.277 -5.415 -0.285
198 HB2 SER 28 HB2 SER 28 -6.215 -7.922 -0.159
199 HB3 SER 28 HB3 SER 28 -4.750 -7.163 -0.790
200 HG SER 28 HG SER 28 -3.679 -7.675 1.013
201 HA PRO 29 HA PRO 29 -8.525 -7.230 3.682
202 HB2 PRO 29 HB2 PRO 29 -6.908 -5.834 5.748
203 HB3 PRO 29 HB3 PRO 29 -7.676 -7.434 5.810
204 HG2 PRO 29 HG2 PRO 29 -5.046 -7.258 5.508
205 HG3 PRO 29 HG3 PRO 29 -5.978 -8.443 4.557
206 HD2 PRO 29 HD2 PRO 29 -4.888 -5.765 3.705
207 HD3 PRO 29 HD3 PRO 29 -4.883 -7.319 2.831
208 H LEU 30 H LEU 30 -7.173 -4.159 3.090
209 HA LEU 30 HA LEU 30 -9.228 -2.648 4.475
210 HB2 LEU 30 HB2 LEU 30 -6.748 -1.981 4.183
211 HB3 LEU 30 HB3 LEU 30 -7.179 -1.612 2.505
212 HG LEU 30 HG LEU 30 -8.267 -0.240 4.988
213 HD11 LEU 30 HD11 LEU 30 -7.053 1.710 4.036
214 HD12 LEU 30 HD12 LEU 30 -6.353 0.633 2.827
215 HD13 LEU 30 HD13 LEU 30 -5.993 0.393 4.537
216 HD21 LEU 30 HD21 LEU 30 -8.796 0.404 2.080
217 HD22 LEU 30 HD22 LEU 30 -9.398 1.291 3.482
218 HD23 LEU 30 HD23 LEU 30 -9.951 -0.358 3.175
219 H GLU 31 H GLU 31 -8.058 -2.983 1.157
220 HA GLU 31 HA GLU 31 -10.240 -1.560 0.013
221 HB2 GLU 31 HB2 GLU 31 -7.859 -1.811 -0.900
222 HB3 GLU 31 HB3 GLU 31 -8.356 -3.417 -1.444
223 HG2 GLU 31 HG2 GLU 31 -9.754 -0.880 -2.300
224 HG3 GLU 31 HG3 GLU 31 -8.401 -1.595 -3.183
225 H ARG 32 H ARG 32 -9.481 -4.999 0.352
226 HA ARG 32 HA ARG 32 -12.160 -5.609 -0.661
227 HB2 ARG 32 HB2 ARG 32 -10.407 -5.788 -2.502
228 HB3 ARG 32 HB3 ARG 32 -9.673 -7.089 -1.559
229 HG2 ARG 32 HG2 ARG 32 -11.020 -8.073 -3.291
230 HG3 ARG 32 HG3 ARG 32 -11.797 -8.369 -1.735
231 HD2 ARG 32 HD2 ARG 32 -13.196 -7.581 -3.797
232 HD3 ARG 32 HD3 ARG 32 -13.560 -6.963 -2.192
233 HE ARG 32 HE ARG 32 -11.744 -5.190 -3.303
234 HH11 ARG 32 HH11 ARG 32 -14.941 -6.382 -4.096
235 HH12 ARG 32 HH12 ARG 32 -15.438 -4.909 -4.864
236 HH21 ARG 32 HH21 ARG 32 -12.391 -3.245 -4.297
237 HH22 ARG 32 HH22 ARG 32 -13.984 -3.128 -4.990
238 H SER 33 H SER 33 -12.895 -6.261 1.325
239 HA SER 33 HA SER 33 -11.929 -8.880 2.168
240 HB2 SER 33 HB2 SER 33 -10.793 -7.027 3.569
241 HB3 SER 33 HB3 SER 33 -12.389 -6.747 4.262
242 HG SER 33 HG SER 33 -12.399 -8.864 5.018
Start of MODEL 15
1 HA ALA 1 HA ALA 1 -15.710 0.085 0.980
2 HB1 ALA 1 HB1 ALA 1 -17.982 0.170 1.905
3 HB2 ALA 1 HB2 ALA 1 -17.487 1.723 1.235
4 HB3 ALA 1 HB3 ALA 1 -17.487 1.476 2.981
5 H SER 2 H SER 2 -13.624 0.887 0.829
6 HA SER 2 HA SER 2 -13.387 3.699 1.416
7 HB2 SER 2 HB2 SER 2 -12.651 2.344 3.555
8 HB3 SER 2 HB3 SER 2 -11.194 2.013 2.615
9 HG SER 2 HG SER 2 -11.826 4.209 3.978
10 HA PRO 3 HA PRO 3 -11.138 1.564 -2.264
11 HB2 PRO 3 HB2 PRO 3 -12.677 3.606 -3.775
12 HB3 PRO 3 HB3 PRO 3 -12.385 1.895 -4.154
13 HG2 PRO 3 HG2 PRO 3 -14.765 2.726 -3.286
14 HG3 PRO 3 HG3 PRO 3 -14.090 1.161 -2.790
15 HD2 PRO 3 HD2 PRO 3 -14.268 3.716 -1.209
16 HD3 PRO 3 HD3 PRO 3 -14.432 2.023 -0.662
17 H GLN 4 H GLN 4 -11.954 5.041 -2.087
18 HA GLN 4 HA GLN 4 -9.661 5.855 -3.523
19 HB2 GLN 4 HB2 GLN 4 -11.540 7.380 -1.727
20 HB3 GLN 4 HB3 GLN 4 -10.210 8.143 -2.584
21 HG2 GLN 4 HG2 GLN 4 -12.209 6.526 -4.112
22 HG3 GLN 4 HG3 GLN 4 -12.606 8.168 -3.616
23 HE21 GLN 4 HE21 GLN 4 -9.334 7.240 -4.430
24 HE22 GLN 4 HE22 GLN 4 -9.260 8.109 -5.921
25 H GLN 5 H GLN 5 -10.353 5.773 -0.057
26 HA GLN 5 HA GLN 5 -7.876 6.878 0.736
27 HB2 GLN 5 HB2 GLN 5 -9.814 5.120 2.251
28 HB3 GLN 5 HB3 GLN 5 -8.395 5.861 2.975
29 HG2 GLN 5 HG2 GLN 5 -10.189 7.269 3.545
30 HG3 GLN 5 HG3 GLN 5 -9.345 8.093 2.238
31 HE21 GLN 5 HE21 GLN 5 -11.513 5.351 1.831
32 HE22 GLN 5 HE22 GLN 5 -12.748 6.229 0.979
33 H ALA 6 H ALA 6 -8.868 3.638 -0.080
34 HA ALA 6 HA ALA 6 -6.614 2.278 0.937
35 HB1 ALA 6 HB1 ALA 6 -7.209 0.467 -0.547
36 HB2 ALA 6 HB2 ALA 6 -8.263 1.534 -1.471
37 HB3 ALA 6 HB3 ALA 6 -8.666 1.126 0.199
38 H LYS 7 H LYS 7 -7.190 4.056 -2.024
39 HA LYS 7 HA LYS 7 -4.900 3.268 -3.449
40 HB2 LYS 7 HB2 LYS 7 -6.742 4.535 -4.479
41 HB3 LYS 7 HB3 LYS 7 -6.341 5.930 -3.489
42 HG2 LYS 7 HG2 LYS 7 -5.503 6.239 -5.723
43 HG3 LYS 7 HG3 LYS 7 -4.142 6.068 -4.585
44 HD2 LYS 7 HD2 LYS 7 -3.940 3.683 -5.234
45 HD3 LYS 7 HD3 LYS 7 -5.249 3.897 -6.401
46 HE2 LYS 7 HE2 LYS 7 -3.059 4.015 -7.502
47 HE3 LYS 7 HE3 LYS 7 -3.905 5.560 -7.601
48 HZ1 LYS 7 HZ1 LYS 7 -2.563 6.388 -5.786
49 HZ2 LYS 7 HZ2 LYS 7 -1.566 5.820 -7.027
50 HZ3 LYS 7 HZ3 LYS 7 -1.788 4.892 -5.635
51 H TYR 8 H TYR 8 -5.386 5.568 -0.868
52 HA TYR 8 HA TYR 8 -2.869 6.859 -1.034
53 HB2 TYR 8 HB2 TYR 8 -4.786 7.817 0.196
54 HB3 TYR 8 HB3 TYR 8 -4.691 6.500 1.366
55 HD1 TYR 8 HD1 TYR 8 -3.120 6.549 3.144
56 HD2 TYR 8 HD2 TYR 8 -2.950 9.489 0.077
57 HE1 TYR 8 HE1 TYR 8 -1.536 7.851 4.494
58 HE2 TYR 8 HE2 TYR 8 -1.362 10.803 1.419
59 HH TYR 8 HH TYR 8 0.259 9.567 4.081
60 H CYS 9 H CYS 9 -4.019 3.990 0.679
61 HA CYS 9 HA CYS 9 -1.626 3.432 2.069
62 HB2 CYS 9 HB2 CYS 9 -3.589 2.173 2.679
63 HB3 CYS 9 HB3 CYS 9 -3.783 1.559 1.030
64 H TYR 10 H TYR 10 -2.791 2.362 -1.094
65 HA TYR 10 HA TYR 10 -0.548 0.764 -1.704
66 HB2 TYR 10 HB2 TYR 10 -2.787 1.932 -3.344
67 HB3 TYR 10 HB3 TYR 10 -1.435 1.108 -4.128
68 HD1 TYR 10 HD1 TYR 10 -1.079 -1.268 -3.811
69 HD2 TYR 10 HD2 TYR 10 -4.432 0.674 -2.051
70 HE1 TYR 10 HE1 TYR 10 -2.147 -3.440 -3.455
71 HE2 TYR 10 HE2 TYR 10 -5.503 -1.497 -1.690
72 HH TYR 10 HH TYR 10 -5.395 -3.793 -2.721
73 H GLU 11 H GLU 11 -1.123 4.200 -2.082
74 HA GLU 11 HA GLU 11 1.118 4.528 -3.836
75 HB2 GLU 11 HB2 GLU 11 0.704 6.868 -3.750
76 HB3 GLU 11 HB3 GLU 11 -0.881 6.075 -3.768
77 HG2 GLU 11 HG2 GLU 11 -1.095 6.433 -1.383
78 HG3 GLU 11 HG3 GLU 11 0.514 7.183 -1.344
79 H GLN 12 H GLN 12 0.542 5.174 -0.367
80 HA GLN 12 HA GLN 12 3.171 6.186 0.027
81 HB2 GLN 12 HB2 GLN 12 1.015 5.357 1.964
82 HB3 GLN 12 HB3 GLN 12 2.551 6.033 2.473
83 HG2 GLN 12 HG2 GLN 12 0.918 7.491 0.470
84 HG3 GLN 12 HG3 GLN 12 0.451 7.537 2.161
85 HE21 GLN 12 HE21 GLN 12 3.790 7.272 1.241
86 HE22 GLN 12 HE22 GLN 12 4.244 8.878 1.703
87 H CYS 13 H CYS 13 1.808 2.987 0.152
88 HA CYS 13 HA CYS 13 3.621 1.794 1.935
89 HB2 CYS 13 HB2 CYS 13 2.959 -0.335 0.940
90 HB3 CYS 13 HB3 CYS 13 1.531 0.698 1.078
91 H ASN 14 H ASN 14 3.778 2.118 -1.599
92 HA ASN 14 HA ASN 14 6.417 1.006 -1.759
93 HB2 ASN 14 HB2 ASN 14 4.799 0.957 -3.663
94 HB3 ASN 14 HB3 ASN 14 4.969 2.701 -3.822
95 HD21 ASN 14 HD21 ASN 14 7.624 0.495 -3.078
96 HD22 ASN 14 HD22 ASN 14 8.454 0.732 -4.576
97 H VAL 15 H VAL 15 5.132 4.212 -1.280
98 HA VAL 15 HA VAL 15 7.478 5.646 -1.968
99 HB VAL 15 HB VAL 15 5.151 6.421 -0.200
100 HG11 VAL 15 HG11 VAL 15 7.410 8.158 -1.209
101 HG12 VAL 15 HG12 VAL 15 7.136 7.686 0.467
102 HG13 VAL 15 HG13 VAL 15 5.976 8.729 -0.356
103 HG21 VAL 15 HG21 VAL 15 5.889 7.228 -3.015
104 HG22 VAL 15 HG22 VAL 15 4.501 7.822 -2.104
105 HG23 VAL 15 HG23 VAL 15 4.593 6.123 -2.565
106 H ASN 16 H ASN 16 6.248 4.295 1.084
107 HA ASN 16 HA ASN 16 8.370 5.394 2.657
108 HB2 ASN 16 HB2 ASN 16 6.631 2.969 3.236
109 HB3 ASN 16 HB3 ASN 16 7.647 3.818 4.403
110 HD21 ASN 16 HD21 ASN 16 6.928 6.452 3.297
111 HD22 ASN 16 HD22 ASN 16 5.315 6.754 3.859
112 H LYS 17 H LYS 17 7.776 1.921 2.314
113 HA LYS 17 HA LYS 17 9.725 1.243 0.514
114 HB2 LYS 17 HB2 LYS 17 10.850 1.666 3.185
115 HB3 LYS 17 HB3 LYS 17 11.176 0.056 2.530
116 HG2 LYS 17 HG2 LYS 17 12.119 1.101 0.503
117 HG3 LYS 17 HG3 LYS 17 11.845 2.697 1.216
118 HD2 LYS 17 HD2 LYS 17 13.298 1.942 3.164
119 HD3 LYS 17 HD3 LYS 17 13.684 0.505 2.195
120 HE2 LYS 17 HE2 LYS 17 14.217 3.375 1.412
121 HE3 LYS 17 HE3 LYS 17 15.416 2.200 1.943
122 HZ1 LYS 17 HZ1 LYS 17 13.766 2.008 -0.517
123 HZ2 LYS 17 HZ2 LYS 17 14.896 0.860 -0.009
124 HZ3 LYS 17 HZ3 LYS 17 15.406 2.408 -0.452
125 H VAL 18 H VAL 18 7.810 -0.143 0.090
126 HA VAL 18 HA VAL 18 8.237 -2.673 1.497
127 HB VAL 18 HB VAL 18 6.033 -3.157 2.024
128 HG11 VAL 18 HG11 VAL 18 5.036 -1.301 3.232
129 HG12 VAL 18 HG12 VAL 18 6.073 -0.161 2.372
130 HG13 VAL 18 HG13 VAL 18 6.786 -1.344 3.470
131 HG21 VAL 18 HG21 VAL 18 4.061 -2.064 1.080
132 HG22 VAL 18 HG22 VAL 18 5.101 -2.769 -0.162
133 HG23 VAL 18 HG23 VAL 18 5.109 -1.023 0.108
134 HA PRO 19 HA PRO 19 8.050 -4.264 -2.704
135 HB2 PRO 19 HB2 PRO 19 7.094 -6.749 -1.416
136 HB3 PRO 19 HB3 PRO 19 8.513 -6.496 -2.449
137 HG2 PRO 19 HG2 PRO 19 8.771 -6.919 0.185
138 HG3 PRO 19 HG3 PRO 19 9.844 -5.819 -0.700
139 HD2 PRO 19 HD2 PRO 19 7.533 -5.157 1.093
140 HD3 PRO 19 HD3 PRO 19 9.104 -4.340 0.904
141 H PHE 20 H PHE 20 6.382 -4.902 -4.211
142 HA PHE 20 HA PHE 20 3.877 -3.794 -3.687
143 HB2 PHE 20 HB2 PHE 20 4.848 -4.212 -5.976
144 HB3 PHE 20 HB3 PHE 20 4.410 -5.907 -5.786
145 HD1 PHE 20 HD1 PHE 20 3.158 -2.514 -6.265
146 HD2 PHE 20 HD2 PHE 20 2.102 -6.616 -5.855
147 HE1 PHE 20 HE1 PHE 20 0.894 -2.009 -7.086
148 HE2 PHE 20 HE2 PHE 20 -0.163 -6.118 -6.677
149 HZ PHE 20 HZ PHE 20 -0.769 -3.812 -7.294
150 H ASP 21 H ASP 21 4.906 -7.191 -3.577
151 HA ASP 21 HA ASP 21 2.417 -8.341 -3.066
152 HB2 ASP 21 HB2 ASP 21 3.703 -10.201 -1.988
153 HB3 ASP 21 HB3 ASP 21 4.263 -9.777 -3.602
154 H GLN 22 H GLN 22 4.776 -6.949 -0.829
155 HA GLN 22 HA GLN 22 3.381 -7.533 1.547
156 HB2 GLN 22 HB2 GLN 22 5.729 -6.878 1.561
157 HB3 GLN 22 HB3 GLN 22 5.308 -5.284 0.936
158 HG2 GLN 22 HG2 GLN 22 5.686 -5.084 3.269
159 HG3 GLN 22 HG3 GLN 22 3.947 -4.916 2.981
160 HE21 GLN 22 HE21 GLN 22 6.454 -6.894 4.318
161 HE22 GLN 22 HE22 GLN 22 5.417 -7.954 5.214
162 H CYS 23 H CYS 23 3.331 -4.755 -0.644
163 HA CYS 23 HA CYS 23 1.596 -3.134 0.868
164 HB2 CYS 23 HB2 CYS 23 2.895 -2.371 -1.178
165 HB3 CYS 23 HB3 CYS 23 1.697 -3.217 -2.161
166 H TYR 24 H TYR 24 0.962 -5.559 -1.608
167 HA TYR 24 HA TYR 24 -1.837 -5.366 -1.614
168 HB2 TYR 24 HB2 TYR 24 -0.562 -6.585 -3.347
169 HB3 TYR 24 HB3 TYR 24 -0.086 -7.792 -2.147
170 HD1 TYR 24 HD1 TYR 24 -2.970 -6.401 -3.996
171 HD2 TYR 24 HD2 TYR 24 -1.502 -9.596 -1.608
172 HE1 TYR 24 HE1 TYR 24 -4.958 -7.725 -4.553
173 HE2 TYR 24 HE2 TYR 24 -3.486 -10.926 -2.153
174 HH TYR 24 HH TYR 24 -5.569 -10.172 -4.656
175 H GLN 25 H GLN 25 0.373 -7.301 0.389
176 HA GLN 25 HA GLN 25 -1.683 -8.907 1.512
177 HB2 GLN 25 HB2 GLN 25 1.167 -8.359 2.300
178 HB3 GLN 25 HB3 GLN 25 0.108 -9.279 3.361
179 HG2 GLN 25 HG2 GLN 25 0.768 -10.011 0.498
180 HG3 GLN 25 HG3 GLN 25 1.454 -10.753 1.942
181 HE21 GLN 25 HE21 GLN 25 0.191 -12.108 3.196
182 HE22 GLN 25 HE22 GLN 25 -1.292 -12.786 2.612
183 H MET 26 H MET 26 -0.377 -5.788 2.361
184 HA MET 26 HA MET 26 -1.509 -5.813 4.992
185 HB2 MET 26 HB2 MET 26 0.478 -4.525 4.690
186 HB3 MET 26 HB3 MET 26 -0.212 -3.672 3.320
187 HG2 MET 26 HG2 MET 26 -1.789 -2.537 4.808
188 HG3 MET 26 HG3 MET 26 -1.108 -3.401 6.187
189 HE1 MET 26 HE1 MET 26 1.152 -2.077 3.210
190 HE2 MET 26 HE2 MET 26 1.383 -0.401 3.695
191 HE3 MET 26 HE3 MET 26 -0.217 -0.967 3.217
192 H CYS 27 H CYS 27 -2.365 -4.173 1.924
193 HA CYS 27 HA CYS 27 -4.780 -3.250 3.319
194 HB2 CYS 27 HB2 CYS 27 -3.233 -2.003 1.054
195 HB3 CYS 27 HB3 CYS 27 -4.900 -1.519 1.435
196 H SER 28 H SER 28 -4.096 -5.711 1.229
197 HA SER 28 HA SER 28 -6.278 -5.566 -0.502
198 HB2 SER 28 HB2 SER 28 -6.262 -8.136 -0.382
199 HB3 SER 28 HB3 SER 28 -4.807 -7.327 -0.980
200 HG SER 28 HG SER 28 -3.778 -7.760 0.890
201 HA PRO 29 HA PRO 29 -9.071 -7.424 3.051
202 HB2 PRO 29 HB2 PRO 29 -7.604 -6.407 5.422
203 HB3 PRO 29 HB3 PRO 29 -8.468 -7.944 5.203
204 HG2 PRO 29 HG2 PRO 29 -5.811 -7.917 5.223
205 HG3 PRO 29 HG3 PRO 29 -6.692 -8.935 4.054
206 HD2 PRO 29 HD2 PRO 29 -5.376 -6.254 3.616
207 HD3 PRO 29 HD3 PRO 29 -5.327 -7.716 2.597
208 H LEU 30 H LEU 30 -7.402 -4.442 2.890
209 HA LEU 30 HA LEU 30 -9.304 -2.863 4.363
210 HB2 LEU 30 HB2 LEU 30 -6.803 -2.347 3.942
211 HB3 LEU 30 HB3 LEU 30 -7.316 -1.851 2.322
212 HG LEU 30 HG LEU 30 -8.178 -0.570 4.939
213 HD11 LEU 30 HD11 LEU 30 -6.848 1.339 4.114
214 HD12 LEU 30 HD12 LEU 30 -6.305 0.351 2.756
215 HD13 LEU 30 HD13 LEU 30 -5.863 -0.096 4.406
216 HD21 LEU 30 HD21 LEU 30 -9.254 1.126 3.596
217 HD22 LEU 30 HD22 LEU 30 -9.916 -0.453 3.168
218 HD23 LEU 30 HD23 LEU 30 -8.742 0.327 2.109
219 H GLU 31 H GLU 31 -8.419 -3.210 0.952
220 HA GLU 31 HA GLU 31 -10.639 -1.585 0.097
221 HB2 GLU 31 HB2 GLU 31 -8.288 -1.800 -0.998
222 HB3 GLU 31 HB3 GLU 31 -8.925 -3.286 -1.710
223 HG2 GLU 31 HG2 GLU 31 -10.178 -0.559 -2.083
224 HG3 GLU 31 HG3 GLU 31 -9.022 -1.293 -3.203
225 H ARG 32 H ARG 32 -9.683 -4.829 -0.954
226 HA ARG 32 HA ARG 32 -12.222 -5.990 -0.310
227 HB2 ARG 32 HB2 ARG 32 -11.493 -5.355 -3.171
228 HB3 ARG 32 HB3 ARG 32 -12.473 -6.774 -2.804
229 HG2 ARG 32 HG2 ARG 32 -13.276 -4.008 -1.885
230 HG3 ARG 32 HG3 ARG 32 -13.683 -4.604 -3.495
231 HD2 ARG 32 HD2 ARG 32 -14.601 -5.664 -0.822
232 HD3 ARG 32 HD3 ARG 32 -15.568 -5.046 -2.156
233 HE ARG 32 HE ARG 32 -14.413 -7.133 -3.318
234 HH11 ARG 32 HH11 ARG 32 -16.010 -6.857 -0.218
235 HH12 ARG 32 HH12 ARG 32 -16.490 -8.525 -0.174
236 HH21 ARG 32 HH21 ARG 32 -15.023 -9.323 -3.268
237 HH22 ARG 32 HH22 ARG 32 -15.920 -9.934 -1.913
238 H SER 33 H SER 33 -11.858 -8.052 0.206
239 HA SER 33 HA SER 33 -9.606 -9.449 -1.057
240 HB2 SER 33 HB2 SER 33 -8.919 -8.417 1.184
241 HB3 SER 33 HB3 SER 33 -10.046 -9.542 1.940
242 HG SER 33 HG SER 33 -7.878 -10.285 0.259
Start of MODEL 16
1 HA ALA 1 HA ALA 1 -17.355 2.887 -1.243
2 HB1 ALA 1 HB1 ALA 1 -19.017 4.633 -0.819
3 HB2 ALA 1 HB2 ALA 1 -18.804 4.410 0.917
4 HB3 ALA 1 HB3 ALA 1 -19.470 3.106 -0.064
5 H SER 2 H SER 2 -14.851 3.224 -0.569
6 HA SER 2 HA SER 2 -14.312 5.992 -1.114
7 HB2 SER 2 HB2 SER 2 -14.679 5.969 1.418
8 HB3 SER 2 HB3 SER 2 -13.251 4.939 1.527
9 HG SER 2 HG SER 2 -13.443 7.639 1.077
10 HA PRO 3 HA PRO 3 -11.363 2.632 -2.596
11 HB2 PRO 3 HB2 PRO 3 -11.487 4.324 -5.034
12 HB3 PRO 3 HB3 PRO 3 -11.586 2.557 -4.872
13 HG2 PRO 3 HG2 PRO 3 -13.756 4.001 -5.428
14 HG3 PRO 3 HG3 PRO 3 -13.833 2.594 -4.346
15 HD2 PRO 3 HD2 PRO 3 -13.837 5.522 -3.627
16 HD3 PRO 3 HD3 PRO 3 -14.750 4.164 -2.897
17 H GLN 4 H GLN 4 -11.317 6.071 -2.395
18 HA GLN 4 HA GLN 4 -8.659 6.548 -3.183
19 HB2 GLN 4 HB2 GLN 4 -8.843 8.698 -2.087
20 HB3 GLN 4 HB3 GLN 4 -10.313 8.350 -2.981
21 HG2 GLN 4 HG2 GLN 4 -11.577 8.067 -1.051
22 HG3 GLN 4 HG3 GLN 4 -10.159 7.721 -0.060
23 HE21 GLN 4 HE21 GLN 4 -10.249 10.373 -2.314
24 HE22 GLN 4 HE22 GLN 4 -10.295 11.633 -1.126
25 H GLN 5 H GLN 5 -10.026 5.411 -0.190
26 HA GLN 5 HA GLN 5 -7.766 5.963 1.435
27 HB2 GLN 5 HB2 GLN 5 -8.783 4.637 3.131
28 HB3 GLN 5 HB3 GLN 5 -10.086 5.468 2.300
29 HG2 GLN 5 HG2 GLN 5 -10.586 3.426 1.039
30 HG3 GLN 5 HG3 GLN 5 -9.275 2.599 1.872
31 HE21 GLN 5 HE21 GLN 5 -11.361 4.894 3.477
32 HE22 GLN 5 HE22 GLN 5 -12.180 3.737 4.470
33 H ALA 6 H ALA 6 -8.768 3.197 -0.452
34 HA ALA 6 HA ALA 6 -6.584 1.531 0.268
35 HB1 ALA 6 HB1 ALA 6 -7.256 0.135 -1.600
36 HB2 ALA 6 HB2 ALA 6 -8.286 1.424 -2.222
37 HB3 ALA 6 HB3 ALA 6 -8.676 0.650 -0.686
38 H LYS 7 H LYS 7 -7.185 3.833 -2.319
39 HA LYS 7 HA LYS 7 -4.842 3.330 -3.805
40 HB2 LYS 7 HB2 LYS 7 -6.754 4.560 -4.735
41 HB3 LYS 7 HB3 LYS 7 -6.500 5.855 -3.574
42 HG2 LYS 7 HG2 LYS 7 -4.357 6.397 -4.604
43 HG3 LYS 7 HG3 LYS 7 -4.567 5.056 -5.762
44 HD2 LYS 7 HD2 LYS 7 -6.574 6.152 -6.674
45 HD3 LYS 7 HD3 LYS 7 -6.407 7.464 -5.501
46 HE2 LYS 7 HE2 LYS 7 -4.436 6.759 -7.679
47 HE3 LYS 7 HE3 LYS 7 -5.529 8.143 -7.679
48 HZ1 LYS 7 HZ1 LYS 7 -4.383 8.914 -5.643
49 HZ2 LYS 7 HZ2 LYS 7 -3.377 8.860 -6.999
50 HZ3 LYS 7 HZ3 LYS 7 -3.266 7.656 -5.821
51 H TYR 8 H TYR 8 -5.539 5.464 -1.085
52 HA TYR 8 HA TYR 8 -3.084 6.827 -1.003
53 HB2 TYR 8 HB2 TYR 8 -5.088 7.489 0.316
54 HB3 TYR 8 HB3 TYR 8 -4.863 6.059 1.327
55 HD1 TYR 8 HD1 TYR 8 -3.322 9.267 0.332
56 HD2 TYR 8 HD2 TYR 8 -3.343 6.066 3.129
57 HE1 TYR 8 HE1 TYR 8 -1.813 10.544 1.793
58 HE2 TYR 8 HE2 TYR 8 -1.835 7.330 4.599
59 HH TYR 8 HH TYR 8 -1.159 10.648 4.122
60 H CYS 9 H CYS 9 -4.133 3.764 0.368
61 HA CYS 9 HA CYS 9 -1.799 3.196 1.849
62 HB2 CYS 9 HB2 CYS 9 -3.954 2.020 2.184
63 HB3 CYS 9 HB3 CYS 9 -3.772 1.245 0.605
64 H TYR 10 H TYR 10 -2.808 2.165 -1.412
65 HA TYR 10 HA TYR 10 -0.445 0.744 -2.013
66 HB2 TYR 10 HB2 TYR 10 -2.618 1.949 -3.729
67 HB3 TYR 10 HB3 TYR 10 -1.199 1.183 -4.449
68 HD1 TYR 10 HD1 TYR 10 -0.748 -1.228 -3.965
69 HD2 TYR 10 HD2 TYR 10 -4.425 0.635 -2.905
70 HE1 TYR 10 HE1 TYR 10 -1.812 -3.427 -3.800
71 HE2 TYR 10 HE2 TYR 10 -5.493 -1.565 -2.741
72 HH TYR 10 HH TYR 10 -3.732 -4.470 -2.695
73 H GLU 11 H GLU 11 -1.200 4.126 -2.103
74 HA GLU 11 HA GLU 11 0.981 4.897 -3.763
75 HB2 GLU 11 HB2 GLU 11 -1.067 6.311 -3.286
76 HB3 GLU 11 HB3 GLU 11 -0.390 6.583 -1.664
77 HG2 GLU 11 HG2 GLU 11 0.091 8.450 -3.142
78 HG3 GLU 11 HG3 GLU 11 1.581 7.616 -2.639
79 H GLN 12 H GLN 12 0.455 5.212 -0.249
80 HA GLN 12 HA GLN 12 3.119 6.134 0.158
81 HB2 GLN 12 HB2 GLN 12 0.998 5.312 2.145
82 HB3 GLN 12 HB3 GLN 12 2.526 6.061 2.565
83 HG2 GLN 12 HG2 GLN 12 0.514 7.308 0.736
84 HG3 GLN 12 HG3 GLN 12 0.589 7.603 2.466
85 HE21 GLN 12 HE21 GLN 12 2.109 8.123 -0.594
86 HE22 GLN 12 HE22 GLN 12 3.213 9.357 -0.072
87 H CYS 13 H CYS 13 1.771 2.970 0.028
88 HA CYS 13 HA CYS 13 3.295 1.683 1.998
89 HB2 CYS 13 HB2 CYS 13 2.756 -0.409 0.833
90 HB3 CYS 13 HB3 CYS 13 1.334 0.641 0.881
91 H ASN 14 H ASN 14 3.952 1.629 -1.531
92 HA ASN 14 HA ASN 14 6.596 0.657 -1.104
93 HB2 ASN 14 HB2 ASN 14 6.982 0.914 -3.465
94 HB3 ASN 14 HB3 ASN 14 5.367 0.263 -3.236
95 HD21 ASN 14 HD21 ASN 14 4.056 2.754 -2.621
96 HD22 ASN 14 HD22 ASN 14 4.056 3.694 -4.069
97 H VAL 15 H VAL 15 5.237 3.848 -1.290
98 HA VAL 15 HA VAL 15 7.546 5.341 -1.766
99 HB VAL 15 HB VAL 15 5.070 5.996 -0.170
100 HG11 VAL 15 HG11 VAL 15 7.356 7.847 -0.856
101 HG12 VAL 15 HG12 VAL 15 6.920 7.293 0.760
102 HG13 VAL 15 HG13 VAL 15 5.821 8.333 -0.142
103 HG21 VAL 15 HG21 VAL 15 6.071 6.953 -2.858
104 HG22 VAL 15 HG22 VAL 15 4.571 7.453 -2.080
105 HG23 VAL 15 HG23 VAL 15 4.782 5.780 -2.594
106 H ASN 16 H ASN 16 6.205 4.083 1.287
107 HA ASN 16 HA ASN 16 8.307 5.174 2.883
108 HB2 ASN 16 HB2 ASN 16 6.446 2.838 3.450
109 HB3 ASN 16 HB3 ASN 16 7.509 3.606 4.635
110 HD21 ASN 16 HD21 ASN 16 7.009 6.273 3.486
111 HD22 ASN 16 HD22 ASN 16 5.427 6.710 4.034
112 H LYS 17 H LYS 17 7.655 1.702 2.526
113 HA LYS 17 HA LYS 17 9.759 1.055 0.872
114 HB2 LYS 17 HB2 LYS 17 11.364 -0.012 2.445
115 HB3 LYS 17 HB3 LYS 17 11.325 1.753 2.552
116 HG2 LYS 17 HG2 LYS 17 9.950 1.603 4.572
117 HG3 LYS 17 HG3 LYS 17 9.975 -0.162 4.458
118 HD2 LYS 17 HD2 LYS 17 12.392 -0.185 4.679
119 HD3 LYS 17 HD3 LYS 17 12.442 1.589 4.735
120 HE2 LYS 17 HE2 LYS 17 12.624 0.758 6.981
121 HE3 LYS 17 HE3 LYS 17 11.021 1.465 6.797
122 HZ1 LYS 17 HZ1 LYS 17 11.642 -1.433 6.643
123 HZ2 LYS 17 HZ2 LYS 17 10.104 -0.741 6.514
124 HZ3 LYS 17 HZ3 LYS 17 10.951 -0.648 7.972
125 H VAL 18 H VAL 18 7.882 -0.247 0.186
126 HA VAL 18 HA VAL 18 8.101 -2.865 1.442
127 HB VAL 18 HB VAL 18 5.856 -3.313 1.810
128 HG11 VAL 18 HG11 VAL 18 6.588 -1.656 3.441
129 HG12 VAL 18 HG12 VAL 18 4.858 -1.528 3.117
130 HG13 VAL 18 HG13 VAL 18 5.977 -0.359 2.410
131 HG21 VAL 18 HG21 VAL 18 5.098 -0.985 0.059
132 HG22 VAL 18 HG22 VAL 18 3.978 -2.094 0.855
133 HG23 VAL 18 HG23 VAL 18 5.078 -2.691 -0.392
134 HA PRO 19 HA PRO 19 8.035 -4.130 -2.876
135 HB2 PRO 19 HB2 PRO 19 7.217 -6.740 -1.763
136 HB3 PRO 19 HB3 PRO 19 8.635 -6.336 -2.748
137 HG2 PRO 19 HG2 PRO 19 8.875 -6.924 -0.143
138 HG3 PRO 19 HG3 PRO 19 9.899 -5.707 -0.930
139 HD2 PRO 19 HD2 PRO 19 7.504 -5.298 0.836
140 HD3 PRO 19 HD3 PRO 19 9.043 -4.404 0.769
141 H PHE 20 H PHE 20 6.397 -4.834 -4.416
142 HA PHE 20 HA PHE 20 3.881 -3.782 -3.935
143 HB2 PHE 20 HB2 PHE 20 4.820 -4.284 -6.202
144 HB3 PHE 20 HB3 PHE 20 4.454 -5.984 -5.929
145 HD1 PHE 20 HD1 PHE 20 2.189 -6.802 -6.017
146 HD2 PHE 20 HD2 PHE 20 3.039 -2.659 -6.498
147 HE1 PHE 20 HE1 PHE 20 -0.094 -6.436 -6.857
148 HE2 PHE 20 HE2 PHE 20 0.758 -2.286 -7.339
149 HZ PHE 20 HZ PHE 20 -0.812 -4.174 -7.517
150 H ASP 21 H ASP 21 4.895 -7.179 -3.660
151 HA ASP 21 HA ASP 21 2.359 -8.263 -3.154
152 HB2 ASP 21 HB2 ASP 21 3.484 -10.209 -2.273
153 HB3 ASP 21 HB3 ASP 21 4.366 -9.638 -3.683
154 H GLN 22 H GLN 22 4.761 -6.881 -0.947
155 HA GLN 22 HA GLN 22 3.336 -7.407 1.433
156 HB2 GLN 22 HB2 GLN 22 5.712 -6.785 1.427
157 HB3 GLN 22 HB3 GLN 22 5.289 -5.177 0.847
158 HG2 GLN 22 HG2 GLN 22 5.677 -5.061 3.194
159 HG3 GLN 22 HG3 GLN 22 3.947 -4.841 2.895
160 HE21 GLN 22 HE21 GLN 22 5.582 -7.946 2.785
161 HE22 GLN 22 HE22 GLN 22 4.817 -8.602 4.195
162 H CYS 23 H CYS 23 3.325 -4.720 -0.853
163 HA CYS 23 HA CYS 23 1.641 -2.997 0.609
164 HB2 CYS 23 HB2 CYS 23 2.925 -2.330 -1.470
165 HB3 CYS 23 HB3 CYS 23 1.726 -3.217 -2.416
166 H TYR 24 H TYR 24 0.905 -5.501 -1.788
167 HA TYR 24 HA TYR 24 -1.882 -5.251 -1.715
168 HB2 TYR 24 HB2 TYR 24 -0.718 -6.623 -3.409
169 HB3 TYR 24 HB3 TYR 24 -0.237 -7.770 -2.148
170 HD1 TYR 24 HD1 TYR 24 -3.109 -6.415 -4.027
171 HD2 TYR 24 HD2 TYR 24 -1.743 -9.409 -1.338
172 HE1 TYR 24 HE1 TYR 24 -5.206 -7.652 -4.348
173 HE2 TYR 24 HE2 TYR 24 -3.831 -10.654 -1.649
174 HH TYR 24 HH TYR 24 -6.086 -9.887 -4.118
175 H GLN 25 H GLN 25 0.349 -6.978 0.410
176 HA GLN 25 HA GLN 25 -1.678 -8.535 1.680
177 HB2 GLN 25 HB2 GLN 25 1.192 -7.939 2.376
178 HB3 GLN 25 HB3 GLN 25 0.156 -8.851 3.466
179 HG2 GLN 25 HG2 GLN 25 0.776 -9.639 0.607
180 HG3 GLN 25 HG3 GLN 25 1.529 -10.320 2.046
181 HE21 GLN 25 HE21 GLN 25 -0.053 -11.592 -0.043
182 HE22 GLN 25 HE22 GLN 25 -1.382 -12.356 0.764
183 H MET 26 H MET 26 -0.368 -5.353 2.259
184 HA MET 26 HA MET 26 -1.736 -5.181 4.815
185 HB2 MET 26 HB2 MET 26 0.383 -4.086 4.760
186 HB3 MET 26 HB3 MET 26 -0.014 -3.261 3.261
187 HG2 MET 26 HG2 MET 26 -1.742 -1.961 4.468
188 HG3 MET 26 HG3 MET 26 -1.232 -2.735 5.969
189 HE1 MET 26 HE1 MET 26 0.020 -0.620 2.916
190 HE2 MET 26 HE2 MET 26 1.388 -1.710 3.143
191 HE3 MET 26 HE3 MET 26 1.560 0.004 3.505
192 H CYS 27 H CYS 27 -1.974 -3.698 1.586
193 HA CYS 27 HA CYS 27 -4.146 -2.007 2.395
194 HB2 CYS 27 HB2 CYS 27 -3.193 -2.591 -0.427
195 HB3 CYS 27 HB3 CYS 27 -4.168 -1.210 0.120
196 H SER 28 H SER 28 -3.960 -5.194 0.924
197 HA SER 28 HA SER 28 -6.557 -5.151 -0.180
198 HB2 SER 28 HB2 SER 28 -4.999 -6.840 -0.949
199 HB3 SER 28 HB3 SER 28 -4.952 -7.575 0.657
200 HG SER 28 HG SER 28 -6.753 -7.902 -1.344
201 HA PRO 29 HA PRO 29 -8.122 -7.197 4.004
202 HB2 PRO 29 HB2 PRO 29 -5.994 -6.106 5.785
203 HB3 PRO 29 HB3 PRO 29 -6.900 -7.629 5.913
204 HG2 PRO 29 HG2 PRO 29 -4.392 -7.678 5.066
205 HG3 PRO 29 HG3 PRO 29 -5.625 -8.682 4.259
206 HD2 PRO 29 HD2 PRO 29 -4.423 -6.070 3.363
207 HD3 PRO 29 HD3 PRO 29 -4.806 -7.525 2.415
208 H LEU 30 H LEU 30 -6.543 -4.133 3.605
209 HA LEU 30 HA LEU 30 -8.149 -2.623 5.413
210 HB2 LEU 30 HB2 LEU 30 -5.896 -1.978 4.308
211 HB3 LEU 30 HB3 LEU 30 -6.864 -1.588 2.877
212 HG LEU 30 HG LEU 30 -6.992 -0.232 5.592
213 HD11 LEU 30 HD11 LEU 30 -6.182 1.712 4.331
214 HD12 LEU 30 HD12 LEU 30 -6.082 0.719 2.877
215 HD13 LEU 30 HD13 LEU 30 -5.045 0.365 4.261
216 HD21 LEU 30 HD21 LEU 30 -8.575 0.382 3.089
217 HD22 LEU 30 HD22 LEU 30 -8.583 1.317 4.587
218 HD23 LEU 30 HD23 LEU 30 -9.227 -0.327 4.570
219 H GLU 31 H GLU 31 -8.155 -3.001 1.903
220 HA GLU 31 HA GLU 31 -10.590 -1.597 1.501
221 HB2 GLU 31 HB2 GLU 31 -8.695 -1.970 -0.174
222 HB3 GLU 31 HB3 GLU 31 -9.357 -3.595 -0.401
223 HG2 GLU 31 HG2 GLU 31 -10.931 -1.058 -0.884
224 HG3 GLU 31 HG3 GLU 31 -10.032 -1.923 -2.136
225 H ARG 32 H ARG 32 -9.771 -5.053 1.536
226 HA ARG 32 HA ARG 32 -12.608 -5.646 1.984
227 HB2 ARG 32 HB2 ARG 32 -11.953 -5.926 -0.474
228 HB3 ARG 32 HB3 ARG 32 -10.869 -7.216 0.057
229 HG2 ARG 32 HG2 ARG 32 -12.871 -8.237 -0.767
230 HG3 ARG 32 HG3 ARG 32 -12.848 -8.423 0.985
231 HD2 ARG 32 HD2 ARG 32 -15.015 -7.644 -0.318
232 HD3 ARG 32 HD3 ARG 32 -14.642 -7.047 1.293
233 HE ARG 32 HE ARG 32 -13.501 -5.363 -0.690
234 HH11 ARG 32 HH11 ARG 32 -16.580 -6.191 0.766
235 HH12 ARG 32 HH12 ARG 32 -17.275 -4.628 0.483
236 HH21 ARG 32 HH21 ARG 32 -14.392 -3.301 -1.043
237 HH22 ARG 32 HH22 ARG 32 -16.039 -2.991 -0.568
238 H SER 33 H SER 33 -12.755 -6.797 3.815
239 HA SER 33 HA SER 33 -10.594 -8.679 4.479
240 HB2 SER 33 HB2 SER 33 -10.274 -6.415 5.634
241 HB3 SER 33 HB3 SER 33 -11.744 -6.778 6.538
242 HG SER 33 HG SER 33 -9.616 -7.378 7.490
Start of MODEL 17
1 HA ALA 1 HA ALA 1 -17.202 1.860 2.082
2 HB1 ALA 1 HB1 ALA 1 -16.365 2.423 4.283
3 HB2 ALA 1 HB2 ALA 1 -14.881 1.524 3.972
4 HB3 ALA 1 HB3 ALA 1 -16.422 0.673 4.079
5 H SER 2 H SER 2 -13.962 1.975 0.946
6 HA SER 2 HA SER 2 -14.122 4.752 0.282
7 HB2 SER 2 HB2 SER 2 -13.650 4.849 2.768
8 HB3 SER 2 HB3 SER 2 -12.127 4.021 2.450
9 HG SER 2 HG SER 2 -12.149 6.422 2.564
10 HA PRO 3 HA PRO 3 -11.294 2.055 -2.312
11 HB2 PRO 3 HB2 PRO 3 -12.386 4.022 -4.277
12 HB3 PRO 3 HB3 PRO 3 -12.102 2.275 -4.464
13 HG2 PRO 3 HG2 PRO 3 -14.564 3.170 -4.136
14 HG3 PRO 3 HG3 PRO 3 -14.022 1.714 -3.272
15 HD2 PRO 3 HD2 PRO 3 -14.360 4.515 -2.200
16 HD3 PRO 3 HD3 PRO 3 -14.760 2.944 -1.439
17 H GLN 4 H GLN 4 -11.707 5.511 -1.900
18 HA GLN 4 HA GLN 4 -9.300 6.280 -3.207
19 HB2 GLN 4 HB2 GLN 4 -10.978 7.740 -1.165
20 HB3 GLN 4 HB3 GLN 4 -9.589 8.443 -1.975
21 HG2 GLN 4 HG2 GLN 4 -10.751 8.081 -4.159
22 HG3 GLN 4 HG3 GLN 4 -12.171 7.553 -3.260
23 HE21 GLN 4 HE21 GLN 4 -10.038 10.092 -2.160
24 HE22 GLN 4 HE22 GLN 4 -11.166 11.391 -2.369
25 H GLN 5 H GLN 5 -10.124 5.617 0.165
26 HA GLN 5 HA GLN 5 -7.639 6.446 1.221
27 HB2 GLN 5 HB2 GLN 5 -8.318 5.587 3.276
28 HB3 GLN 5 HB3 GLN 5 -9.844 5.960 2.493
29 HG2 GLN 5 HG2 GLN 5 -10.093 3.604 1.868
30 HG3 GLN 5 HG3 GLN 5 -8.563 3.238 2.659
31 HE21 GLN 5 HE21 GLN 5 -9.122 5.133 4.849
32 HE22 GLN 5 HE22 GLN 5 -10.291 4.343 5.852
33 H ALA 6 H ALA 6 -8.758 3.473 -0.167
34 HA ALA 6 HA ALA 6 -6.573 1.840 0.591
35 HB1 ALA 6 HB1 ALA 6 -7.292 0.356 -1.213
36 HB2 ALA 6 HB2 ALA 6 -8.387 1.605 -1.805
37 HB3 ALA 6 HB3 ALA 6 -8.655 0.878 -0.218
38 H LYS 7 H LYS 7 -7.169 3.962 -2.155
39 HA LYS 7 HA LYS 7 -4.863 3.237 -3.625
40 HB2 LYS 7 HB2 LYS 7 -6.808 4.472 -4.575
41 HB3 LYS 7 HB3 LYS 7 -6.328 5.882 -3.649
42 HG2 LYS 7 HG2 LYS 7 -5.639 6.035 -5.987
43 HG3 LYS 7 HG3 LYS 7 -4.247 6.041 -4.873
44 HD2 LYS 7 HD2 LYS 7 -3.746 4.601 -6.772
45 HD3 LYS 7 HD3 LYS 7 -3.944 3.609 -5.323
46 HE2 LYS 7 HE2 LYS 7 -5.073 2.552 -7.201
47 HE3 LYS 7 HE3 LYS 7 -6.257 3.105 -6.018
48 HZ1 LYS 7 HZ1 LYS 7 -6.912 3.610 -8.302
49 HZ2 LYS 7 HZ2 LYS 7 -5.530 4.561 -8.499
50 HZ3 LYS 7 HZ3 LYS 7 -6.719 5.019 -7.389
51 H TYR 8 H TYR 8 -5.462 5.517 -1.040
52 HA TYR 8 HA TYR 8 -2.964 6.823 -1.029
53 HB2 TYR 8 HB2 TYR 8 -4.940 7.623 0.232
54 HB3 TYR 8 HB3 TYR 8 -4.811 6.222 1.295
55 HD1 TYR 8 HD1 TYR 8 -3.313 6.208 3.130
56 HD2 TYR 8 HD2 TYR 8 -3.147 9.353 0.272
57 HE1 TYR 8 HE1 TYR 8 -1.837 7.479 4.627
58 HE2 TYR 8 HE2 TYR 8 -1.673 10.637 1.761
59 HH TYR 8 HH TYR 8 -0.191 9.272 4.517
60 H CYS 9 H CYS 9 -4.124 3.869 0.517
61 HA CYS 9 HA CYS 9 -1.831 3.269 2.031
62 HB2 CYS 9 HB2 CYS 9 -4.077 2.152 2.259
63 HB3 CYS 9 HB3 CYS 9 -3.741 1.270 0.766
64 H TYR 10 H TYR 10 -2.786 2.273 -1.234
65 HA TYR 10 HA TYR 10 -0.446 0.757 -1.747
66 HB2 TYR 10 HB2 TYR 10 -2.626 1.875 -3.507
67 HB3 TYR 10 HB3 TYR 10 -1.207 1.086 -4.202
68 HD1 TYR 10 HD1 TYR 10 -0.740 -1.282 -3.664
69 HD2 TYR 10 HD2 TYR 10 -4.395 0.585 -2.541
70 HE1 TYR 10 HE1 TYR 10 -1.764 -3.480 -3.364
71 HE2 TYR 10 HE2 TYR 10 -5.429 -1.618 -2.234
72 HH TYR 10 HH TYR 10 -5.139 -3.907 -2.935
73 H GLU 11 H GLU 11 -1.208 4.165 -2.160
74 HA GLU 11 HA GLU 11 1.019 4.683 -3.846
75 HB2 GLU 11 HB2 GLU 11 -0.946 6.209 -3.731
76 HB3 GLU 11 HB3 GLU 11 -0.471 6.654 -2.076
77 HG2 GLU 11 HG2 GLU 11 1.677 7.503 -2.970
78 HG3 GLU 11 HG3 GLU 11 1.094 7.150 -4.612
79 H GLN 12 H GLN 12 0.501 4.998 -0.322
80 HA GLN 12 HA GLN 12 3.103 6.176 -0.015
81 HB2 GLN 12 HB2 GLN 12 1.057 5.334 2.040
82 HB3 GLN 12 HB3 GLN 12 2.531 6.216 2.398
83 HG2 GLN 12 HG2 GLN 12 0.618 7.290 0.392
84 HG3 GLN 12 HG3 GLN 12 0.285 7.471 2.108
85 HE21 GLN 12 HE21 GLN 12 3.538 7.469 0.846
86 HE22 GLN 12 HE22 GLN 12 3.851 9.143 1.142
87 H CYS 13 H CYS 13 1.807 2.967 0.180
88 HA CYS 13 HA CYS 13 3.507 1.851 2.096
89 HB2 CYS 13 HB2 CYS 13 2.963 -0.323 1.089
90 HB3 CYS 13 HB3 CYS 13 1.514 0.688 1.169
91 H ASN 14 H ASN 14 3.938 1.794 -1.457
92 HA ASN 14 HA ASN 14 6.596 0.791 -1.220
93 HB2 ASN 14 HB2 ASN 14 6.750 1.352 -3.693
94 HB3 ASN 14 HB3 ASN 14 5.492 0.221 -3.223
95 HD21 ASN 14 HD21 ASN 14 5.403 3.771 -2.971
96 HD22 ASN 14 HD22 ASN 14 4.072 3.965 -4.061
97 H VAL 15 H VAL 15 5.264 3.993 -1.238
98 HA VAL 15 HA VAL 15 7.625 5.383 -1.949
99 HB VAL 15 HB VAL 15 5.192 6.262 -0.391
100 HG11 VAL 15 HG11 VAL 15 7.084 7.586 0.386
101 HG12 VAL 15 HG12 VAL 15 6.024 8.569 -0.624
102 HG13 VAL 15 HG13 VAL 15 7.536 7.947 -1.279
103 HG21 VAL 15 HG21 VAL 15 4.698 7.545 -2.418
104 HG22 VAL 15 HG22 VAL 15 4.857 5.828 -2.783
105 HG23 VAL 15 HG23 VAL 15 6.172 6.936 -3.170
106 H ASN 16 H ASN 16 6.331 4.221 1.140
107 HA ASN 16 HA ASN 16 8.448 5.384 2.688
108 HB2 ASN 16 HB2 ASN 16 6.712 2.984 3.371
109 HB3 ASN 16 HB3 ASN 16 7.693 3.922 4.500
110 HD21 ASN 16 HD21 ASN 16 6.937 6.465 3.203
111 HD22 ASN 16 HD22 ASN 16 5.313 6.766 3.724
112 H LYS 17 H LYS 17 7.808 1.898 2.446
113 HA LYS 17 HA LYS 17 9.799 1.218 0.689
114 HB2 LYS 17 HB2 LYS 17 11.576 0.258 2.066
115 HB3 LYS 17 HB3 LYS 17 11.433 1.995 2.345
116 HG2 LYS 17 HG2 LYS 17 10.183 -0.042 4.182
117 HG3 LYS 17 HG3 LYS 17 11.856 0.486 4.362
118 HD2 LYS 17 HD2 LYS 17 11.113 2.807 4.624
119 HD3 LYS 17 HD3 LYS 17 9.418 2.305 4.441
120 HE2 LYS 17 HE2 LYS 17 9.986 2.597 6.798
121 HE3 LYS 17 HE3 LYS 17 9.645 0.902 6.455
122 HZ1 LYS 17 HZ1 LYS 17 12.360 2.088 6.660
123 HZ2 LYS 17 HZ2 LYS 17 12.006 0.455 6.408
124 HZ3 LYS 17 HZ3 LYS 17 11.596 1.192 7.871
125 H VAL 18 H VAL 18 7.896 -0.117 0.134
126 HA VAL 18 HA VAL 18 8.204 -2.697 1.447
127 HB VAL 18 HB VAL 18 6.050 -3.120 2.087
128 HG11 VAL 18 HG11 VAL 18 5.042 -1.263 3.256
129 HG12 VAL 18 HG12 VAL 18 5.993 -0.112 2.315
130 HG13 VAL 18 HG13 VAL 18 6.797 -1.218 3.433
131 HG21 VAL 18 HG21 VAL 18 4.034 -2.125 1.141
132 HG22 VAL 18 HG22 VAL 18 5.073 -2.840 -0.096
133 HG23 VAL 18 HG23 VAL 18 5.029 -1.086 0.113
134 HA PRO 19 HA PRO 19 7.931 -4.074 -2.813
135 HB2 PRO 19 HB2 PRO 19 7.162 -6.661 -1.621
136 HB3 PRO 19 HB3 PRO 19 8.546 -6.273 -2.660
137 HG2 PRO 19 HG2 PRO 19 8.879 -6.806 -0.057
138 HG3 PRO 19 HG3 PRO 19 9.863 -5.593 -0.898
139 HD2 PRO 19 HD2 PRO 19 7.516 -5.175 0.932
140 HD3 PRO 19 HD3 PRO 19 9.048 -4.276 0.808
141 H PHE 20 H PHE 20 6.263 -4.754 -4.296
142 HA PHE 20 HA PHE 20 3.743 -3.739 -3.717
143 HB2 PHE 20 HB2 PHE 20 4.550 -4.043 -6.023
144 HB3 PHE 20 HB3 PHE 20 4.414 -5.789 -5.844
145 HD1 PHE 20 HD1 PHE 20 2.319 -6.892 -6.057
146 HD2 PHE 20 HD2 PHE 20 2.511 -2.640 -6.018
147 HE1 PHE 20 HE1 PHE 20 -0.026 -6.785 -6.790
148 HE2 PHE 20 HE2 PHE 20 0.164 -2.527 -6.751
149 HZ PHE 20 HZ PHE 20 -1.107 -4.600 -7.138
150 H ASP 21 H ASP 21 4.812 -7.124 -3.665
151 HA ASP 21 HA ASP 21 2.303 -8.284 -3.200
152 HB2 ASP 21 HB2 ASP 21 3.616 -10.214 -2.284
153 HB3 ASP 21 HB3 ASP 21 4.121 -9.686 -3.887
154 H GLN 22 H GLN 22 4.688 -6.963 -0.958
155 HA GLN 22 HA GLN 22 3.286 -7.693 1.403
156 HB2 GLN 22 HB2 GLN 22 5.631 -7.146 1.555
157 HB3 GLN 22 HB3 GLN 22 5.355 -5.548 0.871
158 HG2 GLN 22 HG2 GLN 22 4.025 -4.951 2.845
159 HG3 GLN 22 HG3 GLN 22 4.372 -6.541 3.535
160 HE21 GLN 22 HE21 GLN 22 7.092 -6.637 2.564
161 HE22 GLN 22 HE22 GLN 22 7.998 -5.532 3.542
162 H CYS 23 H CYS 23 3.317 -4.818 -0.663
163 HA CYS 23 HA CYS 23 1.596 -3.222 0.904
164 HB2 CYS 23 HB2 CYS 23 2.920 -2.402 -1.106
165 HB3 CYS 23 HB3 CYS 23 1.717 -3.193 -2.127
166 H TYR 24 H TYR 24 0.958 -5.551 -1.662
167 HA TYR 24 HA TYR 24 -1.829 -5.328 -1.739
168 HB2 TYR 24 HB2 TYR 24 -0.303 -6.617 -3.346
169 HB3 TYR 24 HB3 TYR 24 -0.300 -7.912 -2.139
170 HD1 TYR 24 HD1 TYR 24 -2.410 -9.089 -1.598
171 HD2 TYR 24 HD2 TYR 24 -2.162 -6.275 -4.771
172 HE1 TYR 24 HE1 TYR 24 -4.493 -9.980 -2.540
173 HE2 TYR 24 HE2 TYR 24 -4.241 -7.157 -5.728
174 HH TYR 24 HH TYR 24 -5.533 -9.285 -5.678
175 H GLN 25 H GLN 25 0.299 -7.096 0.440
176 HA GLN 25 HA GLN 25 -1.764 -8.763 1.496
177 HB2 GLN 25 HB2 GLN 25 0.658 -9.358 1.467
178 HB3 GLN 25 HB3 GLN 25 0.950 -8.096 2.661
179 HG2 GLN 25 HG2 GLN 25 0.829 -10.311 3.686
180 HG3 GLN 25 HG3 GLN 25 -0.457 -9.256 4.271
181 HE21 GLN 25 HE21 GLN 25 -1.734 -10.982 4.898
182 HE22 GLN 25 HE22 GLN 25 -2.540 -12.007 3.762
183 H MET 26 H MET 26 -0.489 -5.608 2.271
184 HA MET 26 HA MET 26 -1.875 -5.558 4.819
185 HB2 MET 26 HB2 MET 26 0.269 -4.521 4.848
186 HB3 MET 26 HB3 MET 26 -0.088 -3.599 3.397
187 HG2 MET 26 HG2 MET 26 -1.744 -2.282 4.638
188 HG3 MET 26 HG3 MET 26 -1.368 -3.197 6.098
189 HE1 MET 26 HE1 MET 26 0.178 -0.919 3.294
190 HE2 MET 26 HE2 MET 26 1.437 -2.142 3.476
191 HE3 MET 26 HE3 MET 26 1.736 -0.485 3.997
192 H CYS 27 H CYS 27 -2.071 -3.866 1.680
193 HA CYS 27 HA CYS 27 -4.259 -2.249 2.658
194 HB2 CYS 27 HB2 CYS 27 -3.181 -2.389 -0.173
195 HB3 CYS 27 HB3 CYS 27 -4.166 -1.101 0.548
196 H SER 28 H SER 28 -4.010 -5.250 0.901
197 HA SER 28 HA SER 28 -6.480 -5.125 -0.431
198 HB2 SER 28 HB2 SER 28 -5.024 -6.851 -1.139
199 HB3 SER 28 HB3 SER 28 -4.916 -7.536 0.489
200 HG SER 28 HG SER 28 -6.769 -7.954 -1.467
201 HA PRO 29 HA PRO 29 -8.499 -7.264 3.534
202 HB2 PRO 29 HB2 PRO 29 -6.608 -6.091 5.524
203 HB3 PRO 29 HB3 PRO 29 -7.491 -7.632 5.580
204 HG2 PRO 29 HG2 PRO 29 -4.908 -7.644 5.007
205 HG3 PRO 29 HG3 PRO 29 -6.026 -8.681 4.084
206 HD2 PRO 29 HD2 PRO 29 -4.773 -6.063 3.289
207 HD3 PRO 29 HD3 PRO 29 -5.042 -7.531 2.319
208 H LEU 30 H LEU 30 -6.980 -4.166 3.296
209 HA LEU 30 HA LEU 30 -8.862 -2.711 4.896
210 HB2 LEU 30 HB2 LEU 30 -6.435 -2.071 4.251
211 HB3 LEU 30 HB3 LEU 30 -7.122 -1.595 2.690
212 HG LEU 30 HG LEU 30 -7.735 -0.359 5.396
213 HD11 LEU 30 HD11 LEU 30 -6.663 1.619 4.397
214 HD12 LEU 30 HD12 LEU 30 -6.282 0.668 2.959
215 HD13 LEU 30 HD13 LEU 30 -5.558 0.248 4.513
216 HD21 LEU 30 HD21 LEU 30 -9.085 1.267 4.193
217 HD22 LEU 30 HD22 LEU 30 -9.725 -0.359 3.937
218 HD23 LEU 30 HD23 LEU 30 -8.782 0.428 2.670
219 H GLU 31 H GLU 31 -8.334 -3.225 1.444
220 HA GLU 31 HA GLU 31 -10.593 -1.591 0.718
221 HB2 GLU 31 HB2 GLU 31 -8.427 -1.736 -0.575
222 HB3 GLU 31 HB3 GLU 31 -8.914 -3.359 -1.072
223 HG2 GLU 31 HG2 GLU 31 -10.899 -1.243 -1.607
224 HG3 GLU 31 HG3 GLU 31 -9.384 -1.116 -2.510
225 H ARG 32 H ARG 32 -9.764 -4.941 -0.130
226 HA ARG 32 HA ARG 32 -11.012 -6.836 -0.410
227 HB2 ARG 32 HB2 ARG 32 -12.707 -5.440 1.673
228 HB3 ARG 32 HB3 ARG 32 -13.015 -7.091 1.126
229 HG2 ARG 32 HG2 ARG 32 -10.742 -7.732 1.951
230 HG3 ARG 32 HG3 ARG 32 -10.519 -6.084 2.536
231 HD2 ARG 32 HD2 ARG 32 -12.534 -8.117 3.496
232 HD3 ARG 32 HD3 ARG 32 -11.167 -7.447 4.379
233 HE ARG 32 HE ARG 32 -12.878 -5.353 3.600
234 HH11 ARG 32 HH11 ARG 32 -12.743 -8.054 5.815
235 HH12 ARG 32 HH12 ARG 32 -13.798 -7.321 6.979
236 HH21 ARG 32 HH21 ARG 32 -14.279 -4.383 5.125
237 HH22 ARG 32 HH22 ARG 32 -14.675 -5.230 6.584
238 H SER 33 H SER 33 -11.481 -6.254 -2.601
239 HA SER 33 HA SER 33 -14.025 -5.088 -3.260
240 HB2 SER 33 HB2 SER 33 -12.272 -6.839 -5.020
241 HB3 SER 33 HB3 SER 33 -13.553 -5.756 -5.554
242 HG SER 33 HG SER 33 -11.843 -4.340 -4.076
Start of MODEL 18
1 HA ALA 1 HA ALA 1 -15.734 0.961 -1.724
2 HB1 ALA 1 HB1 ALA 1 -18.107 0.876 -1.111
3 HB2 ALA 1 HB2 ALA 1 -17.742 2.277 -2.119
4 HB3 ALA 1 HB3 ALA 1 -17.970 2.476 -0.382
5 H SER 2 H SER 2 -13.624 1.938 -1.247
6 HA SER 2 HA SER 2 -13.720 4.789 -1.708
7 HB2 SER 2 HB2 SER 2 -13.768 4.586 0.818
8 HB3 SER 2 HB3 SER 2 -12.202 3.781 0.719
9 HG SER 2 HG SER 2 -12.741 6.403 0.678
10 HA PRO 3 HA PRO 3 -10.381 2.338 -3.865
11 HB2 PRO 3 HB2 PRO 3 -11.118 4.219 -6.036
12 HB3 PRO 3 HB3 PRO 3 -10.880 2.459 -6.094
13 HG2 PRO 3 HG2 PRO 3 -13.324 3.515 -6.242
14 HG3 PRO 3 HG3 PRO 3 -13.018 2.008 -5.352
15 HD2 PRO 3 HD2 PRO 3 -13.437 4.788 -4.255
16 HD3 PRO 3 HD3 PRO 3 -14.023 3.213 -3.632
17 H GLN 4 H GLN 4 -10.975 5.601 -3.065
18 HA GLN 4 HA GLN 4 -8.424 6.573 -4.021
19 HB2 GLN 4 HB2 GLN 4 -10.540 7.931 -2.345
20 HB3 GLN 4 HB3 GLN 4 -9.077 8.709 -2.927
21 HG2 GLN 4 HG2 GLN 4 -9.828 8.237 -5.265
22 HG3 GLN 4 HG3 GLN 4 -11.349 7.640 -4.603
23 HE21 GLN 4 HE21 GLN 4 -11.302 9.666 -2.448
24 HE22 GLN 4 HE22 GLN 4 -11.760 11.151 -3.211
25 H GLN 5 H GLN 5 -9.943 5.979 -0.849
26 HA GLN 5 HA GLN 5 -7.622 6.736 0.592
27 HB2 GLN 5 HB2 GLN 5 -8.730 6.148 2.539
28 HB3 GLN 5 HB3 GLN 5 -10.061 6.523 1.461
29 HG2 GLN 5 HG2 GLN 5 -10.923 4.558 2.037
30 HG3 GLN 5 HG3 GLN 5 -9.642 3.815 1.080
31 HE21 GLN 5 HE21 GLN 5 -7.545 4.714 2.948
32 HE22 GLN 5 HE22 GLN 5 -7.682 3.686 4.334
33 H ALA 6 H ALA 6 -8.770 3.708 -0.710
34 HA ALA 6 HA ALA 6 -6.782 2.073 0.471
35 HB1 ALA 6 HB1 ALA 6 -8.769 1.078 -0.518
36 HB2 ALA 6 HB2 ALA 6 -7.313 0.451 -1.296
37 HB3 ALA 6 HB3 ALA 6 -8.289 1.671 -2.108
38 H LYS 7 H LYS 7 -6.898 4.002 -2.459
39 HA LYS 7 HA LYS 7 -4.461 3.074 -3.557
40 HB2 LYS 7 HB2 LYS 7 -6.279 4.377 -4.761
41 HB3 LYS 7 HB3 LYS 7 -5.661 5.816 -3.962
42 HG2 LYS 7 HG2 LYS 7 -4.813 5.619 -6.238
43 HG3 LYS 7 HG3 LYS 7 -3.496 5.517 -5.039
44 HD2 LYS 7 HD2 LYS 7 -3.347 3.137 -5.295
45 HD3 LYS 7 HD3 LYS 7 -4.842 3.076 -6.233
46 HE2 LYS 7 HE2 LYS 7 -2.263 4.390 -7.101
47 HE3 LYS 7 HE3 LYS 7 -2.867 2.838 -7.680
48 HZ1 LYS 7 HZ1 LYS 7 -4.163 5.484 -8.064
49 HZ2 LYS 7 HZ2 LYS 7 -4.821 4.006 -8.555
50 HZ3 LYS 7 HZ3 LYS 7 -3.384 4.564 -9.249
51 H TYR 8 H TYR 8 -5.282 5.469 -1.154
52 HA TYR 8 HA TYR 8 -2.769 6.749 -1.019
53 HB2 TYR 8 HB2 TYR 8 -4.840 7.695 -0.018
54 HB3 TYR 8 HB3 TYR 8 -4.792 6.424 1.209
55 HD1 TYR 8 HD1 TYR 8 -2.880 9.294 -0.149
56 HD2 TYR 8 HD2 TYR 8 -3.504 6.695 3.158
57 HE1 TYR 8 HE1 TYR 8 -1.401 10.699 1.222
58 HE2 TYR 8 HE2 TYR 8 -2.029 8.091 4.540
59 HH TYR 8 HH TYR 8 -0.203 9.700 4.245
60 H CYS 9 H CYS 9 -4.163 3.992 0.725
61 HA CYS 9 HA CYS 9 -2.060 3.394 2.441
62 HB2 CYS 9 HB2 CYS 9 -4.032 2.081 2.704
63 HB3 CYS 9 HB3 CYS 9 -4.029 1.581 1.006
64 H TYR 10 H TYR 10 -2.590 2.216 -0.849
65 HA TYR 10 HA TYR 10 -0.191 0.743 -1.012
66 HB2 TYR 10 HB2 TYR 10 -2.132 1.763 -3.090
67 HB3 TYR 10 HB3 TYR 10 -0.670 0.871 -3.531
68 HD1 TYR 10 HD1 TYR 10 -0.373 -1.443 -2.784
69 HD2 TYR 10 HD2 TYR 10 -4.044 0.614 -2.155
70 HE1 TYR 10 HE1 TYR 10 -1.499 -3.570 -2.392
71 HE2 TYR 10 HE2 TYR 10 -5.179 -1.517 -1.760
72 HH TYR 10 HH TYR 10 -4.855 -3.917 -2.343
73 H GLU 11 H GLU 11 -0.999 4.073 -1.819
74 HA GLU 11 HA GLU 11 1.322 4.783 -3.203
75 HB2 GLU 11 HB2 GLU 11 -0.739 6.213 -2.928
76 HB3 GLU 11 HB3 GLU 11 -0.198 6.533 -1.265
77 HG2 GLU 11 HG2 GLU 11 0.416 8.381 -2.658
78 HG3 GLU 11 HG3 GLU 11 1.883 7.503 -2.164
79 H GLN 12 H GLN 12 0.589 4.936 0.276
80 HA GLN 12 HA GLN 12 3.029 6.098 1.043
81 HB2 GLN 12 HB2 GLN 12 1.262 4.315 2.733
82 HB3 GLN 12 HB3 GLN 12 2.499 5.412 3.315
83 HG2 GLN 12 HG2 GLN 12 0.019 6.219 1.845
84 HG3 GLN 12 HG3 GLN 12 0.261 6.303 3.582
85 HE21 GLN 12 HE21 GLN 12 1.117 7.633 0.505
86 HE22 GLN 12 HE22 GLN 12 1.836 9.091 1.104
87 H CYS 13 H CYS 13 2.160 2.820 0.302
88 HA CYS 13 HA CYS 13 4.274 1.518 1.604
89 HB2 CYS 13 HB2 CYS 13 2.618 0.772 -0.808
90 HB3 CYS 13 HB3 CYS 13 3.918 -0.260 -0.212
91 H ASN 14 H ASN 14 4.058 2.672 -1.790
92 HA ASN 14 HA ASN 14 6.808 1.996 -2.255
93 HB2 ASN 14 HB2 ASN 14 6.454 3.282 -4.419
94 HB3 ASN 14 HB3 ASN 14 5.405 1.894 -4.162
95 HD21 ASN 14 HD21 ASN 14 5.511 5.439 -4.134
96 HD22 ASN 14 HD22 ASN 14 3.789 5.646 -4.271
97 H VAL 15 H VAL 15 5.077 4.825 -1.200
98 HA VAL 15 HA VAL 15 7.100 6.729 -1.574
99 HB VAL 15 HB VAL 15 4.904 6.580 0.493
100 HG11 VAL 15 HG11 VAL 15 6.786 8.885 -0.040
101 HG12 VAL 15 HG12 VAL 15 6.759 7.893 1.417
102 HG13 VAL 15 HG13 VAL 15 5.382 8.924 1.028
103 HG21 VAL 15 HG21 VAL 15 4.174 6.912 -1.825
104 HG22 VAL 15 HG22 VAL 15 5.254 8.299 -1.970
105 HG23 VAL 15 HG23 VAL 15 3.888 8.358 -0.857
106 H ASN 16 H ASN 16 6.491 4.479 1.136
107 HA ASN 16 HA ASN 16 8.835 5.516 2.517
108 HB2 ASN 16 HB2 ASN 16 7.113 3.116 3.226
109 HB3 ASN 16 HB3 ASN 16 8.308 3.897 4.265
110 HD21 ASN 16 HD21 ASN 16 7.485 6.576 3.358
111 HD22 ASN 16 HD22 ASN 16 5.991 6.889 4.171
112 H LYS 17 H LYS 17 7.997 2.108 2.038
113 HA LYS 17 HA LYS 17 9.752 1.408 0.074
114 HB2 LYS 17 HB2 LYS 17 11.638 2.091 1.402
115 HB3 LYS 17 HB3 LYS 17 11.027 1.223 2.816
116 HG2 LYS 17 HG2 LYS 17 12.835 -0.046 1.967
117 HG3 LYS 17 HG3 LYS 17 11.361 -0.913 1.532
118 HD2 LYS 17 HD2 LYS 17 11.515 0.024 -0.779
119 HD3 LYS 17 HD3 LYS 17 12.997 0.878 -0.298
120 HE2 LYS 17 HE2 LYS 17 14.148 -1.182 0.062
121 HE3 LYS 17 HE3 LYS 17 12.666 -2.114 -0.142
122 HZ1 LYS 17 HZ1 LYS 17 14.119 -2.141 -2.112
123 HZ2 LYS 17 HZ2 LYS 17 13.919 -0.470 -2.274
124 HZ3 LYS 17 HZ3 LYS 17 12.592 -1.501 -2.444
125 H VAL 18 H VAL 18 7.814 0.073 -0.244
126 HA VAL 18 HA VAL 18 8.227 -2.510 0.970
127 HB VAL 18 HB VAL 18 6.591 -2.506 2.494
128 HG11 VAL 18 HG11 VAL 18 5.158 -0.565 2.936
129 HG12 VAL 18 HG12 VAL 18 5.720 0.173 1.437
130 HG13 VAL 18 HG13 VAL 18 6.857 -0.122 2.749
131 HG21 VAL 18 HG21 VAL 18 4.218 -2.462 1.791
132 HG22 VAL 18 HG22 VAL 18 5.222 -3.509 0.784
133 HG23 VAL 18 HG23 VAL 18 4.735 -1.927 0.190
134 HA PRO 19 HA PRO 19 7.252 -3.654 -3.206
135 HB2 PRO 19 HB2 PRO 19 6.723 -6.318 -2.063
136 HB3 PRO 19 HB3 PRO 19 7.918 -5.836 -3.281
137 HG2 PRO 19 HG2 PRO 19 8.629 -6.512 -0.774
138 HG3 PRO 19 HG3 PRO 19 9.497 -5.292 -1.722
139 HD2 PRO 19 HD2 PRO 19 7.553 -4.909 0.519
140 HD3 PRO 19 HD3 PRO 19 9.008 -3.979 0.089
141 H PHE 20 H PHE 20 5.409 -4.174 -4.440
142 HA PHE 20 HA PHE 20 2.932 -3.504 -3.345
143 HB2 PHE 20 HB2 PHE 20 3.412 -3.368 -5.765
144 HB3 PHE 20 HB3 PHE 20 3.430 -5.127 -5.854
145 HD1 PHE 20 HD1 PHE 20 1.415 -6.379 -5.955
146 HD2 PHE 20 HD2 PHE 20 1.305 -2.186 -5.243
147 HE1 PHE 20 HE1 PHE 20 -1.018 -6.384 -6.326
148 HE2 PHE 20 HE2 PHE 20 -1.129 -2.183 -5.613
149 HZ PHE 20 HZ PHE 20 -2.293 -4.285 -6.154
150 H ASP 21 H ASP 21 4.373 -6.687 -3.910
151 HA ASP 21 HA ASP 21 2.124 -8.250 -3.343
152 HB2 ASP 21 HB2 ASP 21 3.725 -10.071 -2.848
153 HB3 ASP 21 HB3 ASP 21 4.116 -9.229 -4.342
154 H GLN 22 H GLN 22 4.549 -6.877 -1.175
155 HA GLN 22 HA GLN 22 3.432 -8.055 1.172
156 HB2 GLN 22 HB2 GLN 22 5.778 -7.390 1.126
157 HB3 GLN 22 HB3 GLN 22 5.328 -5.717 0.843
158 HG2 GLN 22 HG2 GLN 22 4.126 -5.771 3.047
159 HG3 GLN 22 HG3 GLN 22 4.872 -7.350 3.318
160 HE21 GLN 22 HE21 GLN 22 6.026 -6.664 5.085
161 HE22 GLN 22 HE22 GLN 22 7.386 -5.602 4.960
162 H CYS 23 H CYS 23 3.154 -4.899 -0.431
163 HA CYS 23 HA CYS 23 1.577 -3.663 1.563
164 HB2 CYS 23 HB2 CYS 23 2.701 -2.527 -0.455
165 HB3 CYS 23 HB3 CYS 23 1.302 -3.062 -1.385
166 H TYR 24 H TYR 24 0.787 -5.695 -1.173
167 HA TYR 24 HA TYR 24 -2.000 -5.470 -1.120
168 HB2 TYR 24 HB2 TYR 24 -0.503 -6.641 -2.870
169 HB3 TYR 24 HB3 TYR 24 -0.544 -8.034 -1.778
170 HD1 TYR 24 HD1 TYR 24 -2.557 -9.348 -1.522
171 HD2 TYR 24 HD2 TYR 24 -2.502 -5.911 -4.026
172 HE1 TYR 24 HE1 TYR 24 -4.678 -10.058 -2.537
173 HE2 TYR 24 HE2 TYR 24 -4.623 -6.605 -5.043
174 HH TYR 24 HH TYR 24 -6.482 -9.290 -3.784
175 H GLN 25 H GLN 25 0.210 -7.278 0.908
176 HA GLN 25 HA GLN 25 -1.862 -8.991 1.942
177 HB2 GLN 25 HB2 GLN 25 1.024 -8.533 2.702
178 HB3 GLN 25 HB3 GLN 25 -0.037 -9.530 3.692
179 HG2 GLN 25 HG2 GLN 25 0.604 -10.030 0.773
180 HG3 GLN 25 HG3 GLN 25 1.307 -10.883 2.145
181 HE21 GLN 25 HE21 GLN 25 -1.502 -10.457 0.164
182 HE22 GLN 25 HE22 GLN 25 -2.382 -11.824 0.762
183 H MET 26 H MET 26 -0.760 -5.826 2.599
184 HA MET 26 HA MET 26 -1.775 -5.838 5.317
185 HB2 MET 26 HB2 MET 26 0.238 -4.582 4.973
186 HB3 MET 26 HB3 MET 26 -0.469 -3.728 3.613
187 HG2 MET 26 HG2 MET 26 -2.032 -2.599 5.135
188 HG3 MET 26 HG3 MET 26 -1.291 -3.439 6.498
189 HE1 MET 26 HE1 MET 26 0.531 -2.013 3.330
190 HE2 MET 26 HE2 MET 26 1.052 -0.428 3.883
191 HE3 MET 26 HE3 MET 26 -0.663 -0.751 3.624
192 H CYS 27 H CYS 27 -2.627 -4.349 2.183
193 HA CYS 27 HA CYS 27 -5.058 -3.355 3.498
194 HB2 CYS 27 HB2 CYS 27 -3.444 -2.234 1.233
195 HB3 CYS 27 HB3 CYS 27 -5.175 -1.848 1.361
196 H SER 28 H SER 28 -4.310 -5.972 1.664
197 HA SER 28 HA SER 28 -6.512 -6.109 -0.043
198 HB2 SER 28 HB2 SER 28 -6.404 -8.635 0.397
199 HB3 SER 28 HB3 SER 28 -4.981 -7.858 -0.305
200 HG SER 28 HG SER 28 -3.891 -8.176 1.492
201 HA PRO 29 HA PRO 29 -9.157 -7.629 3.806
202 HB2 PRO 29 HB2 PRO 29 -7.764 -6.020 5.885
203 HB3 PRO 29 HB3 PRO 29 -8.537 -7.614 6.022
204 HG2 PRO 29 HG2 PRO 29 -5.889 -7.443 5.980
205 HG3 PRO 29 HG3 PRO 29 -6.717 -8.727 5.062
206 HD2 PRO 29 HD2 PRO 29 -5.542 -6.137 4.060
207 HD3 PRO 29 HD3 PRO 29 -5.451 -7.772 3.351
208 H LEU 30 H LEU 30 -7.814 -4.653 2.903
209 HA LEU 30 HA LEU 30 -9.987 -3.038 3.974
210 HB2 LEU 30 HB2 LEU 30 -7.454 -2.378 3.785
211 HB3 LEU 30 HB3 LEU 30 -7.849 -2.065 2.087
212 HG LEU 30 HG LEU 30 -8.934 -0.638 4.533
213 HD11 LEU 30 HD11 LEU 30 -6.718 0.061 3.823
214 HD12 LEU 30 HD12 LEU 30 -7.898 1.316 3.449
215 HD13 LEU 30 HD13 LEU 30 -7.290 0.268 2.168
216 HD21 LEU 30 HD21 LEU 30 -10.266 0.738 3.042
217 HD22 LEU 30 HD22 LEU 30 -10.745 -0.953 2.875
218 HD23 LEU 30 HD23 LEU 30 -9.728 -0.198 1.649
219 H GLU 31 H GLU 31 -8.459 -3.317 0.764
220 HA GLU 31 HA GLU 31 -10.930 -2.459 -0.472
221 HB2 GLU 31 HB2 GLU 31 -8.440 -1.879 -1.144
222 HB3 GLU 31 HB3 GLU 31 -8.573 -3.380 -2.068
223 HG2 GLU 31 HG2 GLU 31 -10.472 -1.042 -2.355
224 HG3 GLU 31 HG3 GLU 31 -9.049 -1.304 -3.370
225 H ARG 32 H ARG 32 -8.758 -5.135 -1.349
226 HA ARG 32 HA ARG 32 -10.884 -7.078 -1.286
227 HB2 ARG 32 HB2 ARG 32 -9.842 -5.957 -3.876
228 HB3 ARG 32 HB3 ARG 32 -10.326 -7.654 -3.801
229 HG2 ARG 32 HG2 ARG 32 -12.596 -7.030 -3.207
230 HG3 ARG 32 HG3 ARG 32 -12.130 -5.335 -3.047
231 HD2 ARG 32 HD2 ARG 32 -13.340 -5.988 -5.167
232 HD3 ARG 32 HD3 ARG 32 -11.843 -5.086 -5.375
233 HE ARG 32 HE ARG 32 -11.415 -7.909 -5.474
234 HH11 ARG 32 HH11 ARG 32 -12.549 -5.179 -7.329
235 HH12 ARG 32 HH12 ARG 32 -12.156 -5.888 -8.862
236 HH21 ARG 32 HH21 ARG 32 -10.867 -8.849 -7.482
237 HH22 ARG 32 HH22 ARG 32 -11.197 -7.985 -8.949
238 H SER 33 H SER 33 -10.124 -9.204 -1.486
239 HA SER 33 HA SER 33 -7.187 -9.429 -1.306
240 HB2 SER 33 HB2 SER 33 -9.235 -11.294 -0.055
241 HB3 SER 33 HB3 SER 33 -7.489 -11.325 0.184
242 HG SER 33 HG SER 33 -9.166 -9.139 0.876
Start of MODEL 19
1 HA ALA 1 HA ALA 1 -16.823 1.161 0.742
2 HB1 ALA 1 HB1 ALA 1 -14.135 -0.140 1.156
3 HB2 ALA 1 HB2 ALA 1 -15.692 -0.967 1.186
4 HB3 ALA 1 HB3 ALA 1 -15.315 0.245 2.410
5 H SER 2 H SER 2 -13.443 1.747 -0.260
6 HA SER 2 HA SER 2 -13.639 4.535 0.495
7 HB2 SER 2 HB2 SER 2 -13.185 3.226 2.664
8 HB3 SER 2 HB3 SER 2 -11.611 2.836 1.973
9 HG SER 2 HG SER 2 -12.337 5.514 1.930
10 HA PRO 3 HA PRO 3 -10.912 3.186 -3.117
11 HB2 PRO 3 HB2 PRO 3 -11.921 5.826 -4.061
12 HB3 PRO 3 HB3 PRO 3 -11.743 4.295 -4.946
13 HG2 PRO 3 HG2 PRO 3 -14.141 5.141 -4.160
14 HG3 PRO 3 HG3 PRO 3 -13.703 3.422 -4.099
15 HD2 PRO 3 HD2 PRO 3 -13.921 5.388 -1.839
16 HD3 PRO 3 HD3 PRO 3 -14.294 3.637 -1.874
17 H GLN 4 H GLN 4 -11.222 6.591 -2.045
18 HA GLN 4 HA GLN 4 -8.638 7.310 -2.909
19 HB2 GLN 4 HB2 GLN 4 -10.487 8.607 -0.912
20 HB3 GLN 4 HB3 GLN 4 -8.932 9.295 -1.349
21 HG2 GLN 4 HG2 GLN 4 -9.658 9.479 -3.681
22 HG3 GLN 4 HG3 GLN 4 -11.219 8.778 -3.255
23 HE21 GLN 4 HE21 GLN 4 -10.632 11.395 -4.403
24 HE22 GLN 4 HE22 GLN 4 -11.274 12.561 -3.292
25 H GLN 5 H GLN 5 -9.838 6.327 0.256
26 HA GLN 5 HA GLN 5 -7.361 6.782 1.568
27 HB2 GLN 5 HB2 GLN 5 -9.788 5.194 2.363
28 HB3 GLN 5 HB3 GLN 5 -8.360 5.314 3.381
29 HG2 GLN 5 HG2 GLN 5 -9.991 7.665 2.422
30 HG3 GLN 5 HG3 GLN 5 -10.129 6.919 4.013
31 HE21 GLN 5 HE21 GLN 5 -7.239 6.448 4.217
32 HE22 GLN 5 HE22 GLN 5 -6.532 7.994 4.539
33 H ALA 6 H ALA 6 -8.832 3.949 0.076
34 HA ALA 6 HA ALA 6 -6.764 2.143 0.808
35 HB1 ALA 6 HB1 ALA 6 -8.939 1.331 0.067
36 HB2 ALA 6 HB2 ALA 6 -7.650 0.697 -0.958
37 HB3 ALA 6 HB3 ALA 6 -8.662 2.019 -1.535
38 H LYS 7 H LYS 7 -7.264 4.292 -1.945
39 HA LYS 7 HA LYS 7 -5.057 3.421 -3.477
40 HB2 LYS 7 HB2 LYS 7 -6.891 4.839 -4.369
41 HB3 LYS 7 HB3 LYS 7 -6.310 6.176 -3.392
42 HG2 LYS 7 HG2 LYS 7 -5.621 6.380 -5.723
43 HG3 LYS 7 HG3 LYS 7 -4.224 6.235 -4.625
44 HD2 LYS 7 HD2 LYS 7 -3.863 4.847 -6.602
45 HD3 LYS 7 HD3 LYS 7 -4.090 3.817 -5.184
46 HE2 LYS 7 HE2 LYS 7 -5.328 2.907 -7.071
47 HE3 LYS 7 HE3 LYS 7 -6.442 3.479 -5.833
48 HZ1 LYS 7 HZ1 LYS 7 -5.702 4.985 -8.281
49 HZ2 LYS 7 HZ2 LYS 7 -6.834 5.466 -7.119
50 HZ3 LYS 7 HZ3 LYS 7 -7.130 4.104 -8.074
51 H TYR 8 H TYR 8 -5.398 5.753 -0.880
52 HA TYR 8 HA TYR 8 -2.820 6.861 -0.933
53 HB2 TYR 8 HB2 TYR 8 -4.659 7.816 0.387
54 HB3 TYR 8 HB3 TYR 8 -4.667 6.385 1.419
55 HD1 TYR 8 HD1 TYR 8 -3.248 6.230 3.279
56 HD2 TYR 8 HD2 TYR 8 -2.624 9.310 0.417
57 HE1 TYR 8 HE1 TYR 8 -1.645 7.301 4.797
58 HE2 TYR 8 HE2 TYR 8 -1.018 10.399 1.930
59 HH TYR 8 HH TYR 8 -0.423 10.474 4.254
60 H CYS 9 H CYS 9 -4.103 3.964 0.617
61 HA CYS 9 HA CYS 9 -1.755 3.244 2.019
62 HB2 CYS 9 HB2 CYS 9 -4.064 2.295 2.420
63 HB3 CYS 9 HB3 CYS 9 -3.868 1.337 0.946
64 H TYR 10 H TYR 10 -3.029 2.207 -1.136
65 HA TYR 10 HA TYR 10 -0.846 0.537 -1.807
66 HB2 TYR 10 HB2 TYR 10 -2.996 1.879 -3.445
67 HB3 TYR 10 HB3 TYR 10 -1.698 0.964 -4.210
68 HD1 TYR 10 HD1 TYR 10 -1.446 -1.463 -3.669
69 HD2 TYR 10 HD2 TYR 10 -4.866 0.782 -2.496
70 HE1 TYR 10 HE1 TYR 10 -2.718 -3.546 -3.407
71 HE2 TYR 10 HE2 TYR 10 -6.140 -1.292 -2.231
72 HH TYR 10 HH TYR 10 -6.068 -3.611 -3.152
73 H GLU 11 H GLU 11 -1.309 3.977 -2.042
74 HA GLU 11 HA GLU 11 0.844 4.333 -3.899
75 HB2 GLU 11 HB2 GLU 11 -1.123 5.894 -3.719
76 HB3 GLU 11 HB3 GLU 11 -0.472 6.447 -2.162
77 HG2 GLU 11 HG2 GLU 11 1.580 7.173 -3.323
78 HG3 GLU 11 HG3 GLU 11 0.839 6.695 -4.869
79 H GLN 12 H GLN 12 0.413 4.910 -0.394
80 HA GLN 12 HA GLN 12 3.084 5.926 -0.168
81 HB2 GLN 12 HB2 GLN 12 0.940 5.334 1.870
82 HB3 GLN 12 HB3 GLN 12 2.510 5.998 2.290
83 HG2 GLN 12 HG2 GLN 12 0.890 7.337 0.196
84 HG3 GLN 12 HG3 GLN 12 0.454 7.543 1.888
85 HE21 GLN 12 HE21 GLN 12 3.760 7.059 0.974
86 HE22 GLN 12 HE22 GLN 12 4.291 8.673 1.292
87 H CYS 13 H CYS 13 1.665 2.802 0.049
88 HA CYS 13 HA CYS 13 3.286 1.599 1.978
89 HB2 CYS 13 HB2 CYS 13 2.726 -0.537 0.878
90 HB3 CYS 13 HB3 CYS 13 1.296 0.497 0.981
91 H ASN 14 H ASN 14 3.793 1.643 -1.564
92 HA ASN 14 HA ASN 14 6.441 0.582 -1.315
93 HB2 ASN 14 HB2 ASN 14 6.607 1.246 -3.769
94 HB3 ASN 14 HB3 ASN 14 5.348 0.089 -3.360
95 HD21 ASN 14 HD21 ASN 14 3.147 0.784 -3.434
96 HD22 ASN 14 HD22 ASN 14 2.695 2.235 -4.258
97 H VAL 15 H VAL 15 5.101 3.811 -1.494
98 HA VAL 15 HA VAL 15 7.470 5.181 -2.136
99 HB VAL 15 HB VAL 15 5.050 6.120 -0.587
100 HG11 VAL 15 HG11 VAL 15 5.873 8.402 -0.952
101 HG12 VAL 15 HG12 VAL 15 7.351 7.755 -1.665
102 HG13 VAL 15 HG13 VAL 15 6.995 7.466 0.038
103 HG21 VAL 15 HG21 VAL 15 4.479 7.275 -2.659
104 HG22 VAL 15 HG22 VAL 15 4.644 5.543 -2.943
105 HG23 VAL 15 HG23 VAL 15 5.933 6.644 -3.428
106 H ASN 16 H ASN 16 6.034 4.294 0.996
107 HA ASN 16 HA ASN 16 8.101 5.459 2.552
108 HB2 ASN 16 HB2 ASN 16 6.190 3.186 3.188
109 HB3 ASN 16 HB3 ASN 16 7.280 3.929 4.367
110 HD21 ASN 16 HD21 ASN 16 4.367 3.839 4.440
111 HD22 ASN 16 HD22 ASN 16 3.841 5.487 4.451
112 H LYS 17 H LYS 17 7.499 1.951 2.395
113 HA LYS 17 HA LYS 17 9.654 1.259 0.816
114 HB2 LYS 17 HB2 LYS 17 10.968 2.190 2.769
115 HB3 LYS 17 HB3 LYS 17 10.333 0.844 3.725
116 HG2 LYS 17 HG2 LYS 17 11.397 -0.748 2.204
117 HG3 LYS 17 HG3 LYS 17 12.028 0.591 1.233
118 HD2 LYS 17 HD2 LYS 17 13.212 1.426 3.299
119 HD3 LYS 17 HD3 LYS 17 12.675 -0.057 4.116
120 HE2 LYS 17 HE2 LYS 17 13.878 -1.411 2.484
121 HE3 LYS 17 HE3 LYS 17 14.396 0.045 1.636
122 HZ1 LYS 17 HZ1 LYS 17 15.635 0.723 3.568
123 HZ2 LYS 17 HZ2 LYS 17 16.105 -0.842 3.131
124 HZ3 LYS 17 HZ3 LYS 17 15.076 -0.607 4.450
125 H VAL 18 H VAL 18 7.771 -0.120 0.199
126 HA VAL 18 HA VAL 18 8.154 -2.679 1.538
127 HB VAL 18 HB VAL 18 5.950 -3.250 1.952
128 HG11 VAL 18 HG11 VAL 18 6.595 -1.461 3.492
129 HG12 VAL 18 HG12 VAL 18 4.855 -1.508 3.212
130 HG13 VAL 18 HG13 VAL 18 5.841 -0.274 2.426
131 HG21 VAL 18 HG21 VAL 18 5.102 -2.783 -0.260
132 HG22 VAL 18 HG22 VAL 18 5.015 -1.058 0.110
133 HG23 VAL 18 HG23 VAL 18 3.979 -2.201 0.974
134 HA PRO 19 HA PRO 19 8.062 -4.087 -2.747
135 HB2 PRO 19 HB2 PRO 19 7.358 -6.699 -1.573
136 HB3 PRO 19 HB3 PRO 19 8.762 -6.260 -2.563
137 HG2 PRO 19 HG2 PRO 19 9.022 -6.788 0.050
138 HG3 PRO 19 HG3 PRO 19 9.996 -5.545 -0.756
139 HD2 PRO 19 HD2 PRO 19 7.568 -5.199 0.983
140 HD3 PRO 19 HD3 PRO 19 9.080 -4.257 0.930
141 H PHE 20 H PHE 20 6.415 -4.869 -4.249
142 HA PHE 20 HA PHE 20 3.856 -3.960 -3.710
143 HB2 PHE 20 HB2 PHE 20 4.621 -4.363 -6.006
144 HB3 PHE 20 HB3 PHE 20 4.597 -6.100 -5.721
145 HD1 PHE 20 HD1 PHE 20 2.493 -3.089 -6.010
146 HD2 PHE 20 HD2 PHE 20 2.576 -7.339 -5.828
147 HE1 PHE 20 HE1 PHE 20 0.124 -3.160 -6.666
148 HE2 PHE 20 HE2 PHE 20 0.209 -7.418 -6.488
149 HZ PHE 20 HZ PHE 20 -1.019 -5.328 -6.905
150 H ASP 21 H ASP 21 5.080 -7.280 -3.399
151 HA ASP 21 HA ASP 21 2.635 -8.521 -2.883
152 HB2 ASP 21 HB2 ASP 21 3.892 -10.340 -1.864
153 HB3 ASP 21 HB3 ASP 21 4.682 -9.804 -3.340
154 H GLN 22 H GLN 22 4.826 -6.821 -0.712
155 HA GLN 22 HA GLN 22 3.381 -7.431 1.658
156 HB2 GLN 22 HB2 GLN 22 5.733 -6.717 1.690
157 HB3 GLN 22 HB3 GLN 22 5.250 -5.122 1.115
158 HG2 GLN 22 HG2 GLN 22 5.605 -5.074 3.493
159 HG3 GLN 22 HG3 GLN 22 3.889 -4.826 3.132
160 HE21 GLN 22 HE21 GLN 22 3.251 -5.496 5.183
161 HE22 GLN 22 HE22 GLN 22 3.298 -7.162 5.659
162 H CYS 23 H CYS 23 3.241 -4.833 -0.718
163 HA CYS 23 HA CYS 23 1.407 -3.196 0.712
164 HB2 CYS 23 HB2 CYS 23 2.766 -2.495 -1.347
165 HB3 CYS 23 HB3 CYS 23 1.566 -3.363 -2.308
166 H TYR 24 H TYR 24 0.993 -5.754 -1.691
167 HA TYR 24 HA TYR 24 -1.828 -5.754 -1.732
168 HB2 TYR 24 HB2 TYR 24 -0.435 -6.865 -3.447
169 HB3 TYR 24 HB3 TYR 24 0.117 -8.033 -2.236
170 HD1 TYR 24 HD1 TYR 24 -2.846 -6.860 -4.112
171 HD2 TYR 24 HD2 TYR 24 -1.155 -9.947 -1.728
172 HE1 TYR 24 HE1 TYR 24 -4.738 -8.315 -4.668
173 HE2 TYR 24 HE2 TYR 24 -3.045 -11.412 -2.277
174 HH TYR 24 HH TYR 24 -5.274 -11.338 -3.061
175 H GLN 25 H GLN 25 0.492 -7.035 0.506
176 HA GLN 25 HA GLN 25 -1.249 -8.931 1.739
177 HB2 GLN 25 HB2 GLN 25 1.272 -9.012 1.759
178 HB3 GLN 25 HB3 GLN 25 1.249 -7.641 2.867
179 HG2 GLN 25 HG2 GLN 25 1.567 -9.724 4.076
180 HG3 GLN 25 HG3 GLN 25 0.021 -8.992 4.506
181 HE21 GLN 25 HE21 GLN 25 1.585 -11.573 2.766
182 HE22 GLN 25 HE22 GLN 25 0.183 -12.576 2.602
183 H MET 26 H MET 26 -0.312 -5.586 2.355
184 HA MET 26 HA MET 26 -1.862 -5.535 4.809
185 HB2 MET 26 HB2 MET 26 0.255 -4.472 4.978
186 HB3 MET 26 HB3 MET 26 -0.002 -3.576 3.490
187 HG2 MET 26 HG2 MET 26 -1.762 -2.260 4.595
188 HG3 MET 26 HG3 MET 26 -1.464 -3.144 6.092
189 HE1 MET 26 HE1 MET 26 1.427 -2.078 3.589
190 HE2 MET 26 HE2 MET 26 1.744 -0.436 4.145
191 HE3 MET 26 HE3 MET 26 0.208 -0.822 3.372
192 H CYS 27 H CYS 27 -1.848 -3.766 1.693
193 HA CYS 27 HA CYS 27 -4.057 -2.132 2.578
194 HB2 CYS 27 HB2 CYS 27 -2.738 -2.257 -0.156
195 HB3 CYS 27 HB3 CYS 27 -3.864 -1.010 0.415
196 H SER 28 H SER 28 -3.723 -4.950 0.502
197 HA SER 28 HA SER 28 -6.128 -4.605 -0.884
198 HB2 SER 28 HB2 SER 28 -4.701 -7.199 -0.333
199 HB3 SER 28 HB3 SER 28 -5.927 -6.915 -1.580
200 HG SER 28 HG SER 28 -4.423 -5.156 -2.270
201 HA PRO 29 HA PRO 29 -8.197 -7.476 2.589
202 HB2 PRO 29 HB2 PRO 29 -6.523 -6.342 4.789
203 HB3 PRO 29 HB3 PRO 29 -7.297 -7.938 4.673
204 HG2 PRO 29 HG2 PRO 29 -4.695 -7.735 4.246
205 HG3 PRO 29 HG3 PRO 29 -5.690 -8.751 3.174
206 HD2 PRO 29 HD2 PRO 29 -4.562 -6.009 2.682
207 HD3 PRO 29 HD3 PRO 29 -4.708 -7.390 1.568
208 H LEU 30 H LEU 30 -6.835 -4.277 3.079
209 HA LEU 30 HA LEU 30 -8.974 -3.107 4.521
210 HB2 LEU 30 HB2 LEU 30 -6.607 -2.204 4.196
211 HB3 LEU 30 HB3 LEU 30 -7.101 -1.741 2.560
212 HG LEU 30 HG LEU 30 -8.230 -0.625 5.153
213 HD11 LEU 30 HD11 LEU 30 -7.084 1.436 4.431
214 HD12 LEU 30 HD12 LEU 30 -6.389 0.557 3.067
215 HD13 LEU 30 HD13 LEU 30 -5.953 0.112 4.719
216 HD21 LEU 30 HD21 LEU 30 -8.759 0.265 2.311
217 HD22 LEU 30 HD22 LEU 30 -9.430 0.963 3.786
218 HD23 LEU 30 HD23 LEU 30 -9.882 -0.672 3.298
219 H GLU 31 H GLU 31 -8.158 -3.242 1.111
220 HA GLU 31 HA GLU 31 -10.379 -1.664 0.272
221 HB2 GLU 31 HB2 GLU 31 -8.098 -1.873 -0.858
222 HB3 GLU 31 HB3 GLU 31 -8.658 -3.433 -1.472
223 HG2 GLU 31 HG2 GLU 31 -10.269 -0.962 -2.001
224 HG3 GLU 31 HG3 GLU 31 -8.824 -1.309 -2.962
225 H ARG 32 H ARG 32 -9.626 -5.139 0.053
226 HA ARG 32 HA ARG 32 -12.521 -5.674 0.017
227 HB2 ARG 32 HB2 ARG 32 -10.504 -7.144 -1.719
228 HB3 ARG 32 HB3 ARG 32 -12.210 -7.557 -1.564
229 HG2 ARG 32 HG2 ARG 32 -11.082 -5.032 -2.808
230 HG3 ARG 32 HG3 ARG 32 -11.750 -6.408 -3.680
231 HD2 ARG 32 HD2 ARG 32 -13.156 -4.318 -2.056
232 HD3 ARG 32 HD3 ARG 32 -13.479 -4.871 -3.692
233 HE ARG 32 HE ARG 32 -13.921 -6.933 -1.766
234 HH11 ARG 32 HH11 ARG 32 -15.325 -4.105 -3.263
235 HH12 ARG 32 HH12 ARG 32 -16.958 -4.574 -2.923
236 HH21 ARG 32 HH21 ARG 32 -16.068 -7.561 -1.314
237 HH22 ARG 32 HH22 ARG 32 -17.381 -6.550 -1.821
238 H SER 33 H SER 33 -13.133 -7.470 1.202
239 HA SER 33 HA SER 33 -11.154 -9.340 2.164
240 HB2 SER 33 HB2 SER 33 -10.937 -7.333 3.704
241 HB3 SER 33 HB3 SER 33 -12.595 -7.636 4.217
242 HG SER 33 HG SER 33 -10.953 -9.848 4.313
Start of MODEL 20
1 HA ALA 1 HA ALA 1 -15.767 1.102 -1.244
2 HB1 ALA 1 HB1 ALA 1 -17.911 2.398 0.433
3 HB2 ALA 1 HB2 ALA 1 -18.188 1.450 -1.026
4 HB3 ALA 1 HB3 ALA 1 -17.305 2.974 -1.121
5 H SER 2 H SER 2 -13.720 1.613 -0.725
6 HA SER 2 HA SER 2 -13.336 3.902 1.044
7 HB2 SER 2 HB2 SER 2 -11.789 1.298 1.379
8 HB3 SER 2 HB3 SER 2 -11.429 2.801 2.222
9 HG SER 2 HG SER 2 -13.943 2.425 2.680
10 HA PRO 3 HA PRO 3 -11.259 3.389 -3.202
11 HB2 PRO 3 HB2 PRO 3 -12.126 6.196 -3.570
12 HB3 PRO 3 HB3 PRO 3 -12.314 4.798 -4.651
13 HG2 PRO 3 HG2 PRO 3 -14.396 5.810 -3.313
14 HG3 PRO 3 HG3 PRO 3 -14.222 4.068 -3.600
15 HD2 PRO 3 HD2 PRO 3 -13.711 5.614 -1.067
16 HD3 PRO 3 HD3 PRO 3 -14.418 3.985 -1.290
17 H GLN 4 H GLN 4 -11.203 6.698 -1.865
18 HA GLN 4 HA GLN 4 -8.603 7.212 -2.781
19 HB2 GLN 4 HB2 GLN 4 -10.187 9.002 -2.307
20 HB3 GLN 4 HB3 GLN 4 -10.204 8.570 -0.603
21 HG2 GLN 4 HG2 GLN 4 -7.832 9.174 -0.434
22 HG3 GLN 4 HG3 GLN 4 -7.835 9.644 -2.132
23 HE21 GLN 4 HE21 GLN 4 -10.518 10.221 0.037
24 HE22 GLN 4 HE22 GLN 4 -10.353 11.944 0.084
25 H GLN 5 H GLN 5 -9.803 6.044 0.310
26 HA GLN 5 HA GLN 5 -7.367 6.272 1.721
27 HB2 GLN 5 HB2 GLN 5 -9.711 4.427 2.146
28 HB3 GLN 5 HB3 GLN 5 -8.342 4.511 3.238
29 HG2 GLN 5 HG2 GLN 5 -8.840 6.877 3.674
30 HG3 GLN 5 HG3 GLN 5 -10.230 6.776 2.595
31 HE21 GLN 5 HE21 GLN 5 -9.256 4.199 4.761
32 HE22 GLN 5 HE22 GLN 5 -10.620 4.323 5.821
33 H ALA 6 H ALA 6 -8.781 3.638 -0.159
34 HA ALA 6 HA ALA 6 -6.703 1.776 0.266
35 HB1 ALA 6 HB1 ALA 6 -8.853 1.082 -0.641
36 HB2 ALA 6 HB2 ALA 6 -7.554 0.651 -1.755
37 HB3 ALA 6 HB3 ALA 6 -8.573 2.048 -2.092
38 H LYS 7 H LYS 7 -7.200 4.295 -2.159
39 HA LYS 7 HA LYS 7 -4.936 3.675 -3.743
40 HB2 LYS 7 HB2 LYS 7 -6.388 6.306 -3.381
41 HB3 LYS 7 HB3 LYS 7 -5.184 5.998 -4.620
42 HG2 LYS 7 HG2 LYS 7 -7.852 4.623 -4.317
43 HG3 LYS 7 HG3 LYS 7 -7.399 5.831 -5.549
44 HD2 LYS 7 HD2 LYS 7 -5.710 4.281 -6.445
45 HD3 LYS 7 HD3 LYS 7 -6.132 3.091 -5.209
46 HE2 LYS 7 HE2 LYS 7 -7.928 4.115 -7.413
47 HE3 LYS 7 HE3 LYS 7 -7.218 2.503 -7.304
48 HZ1 LYS 7 HZ1 LYS 7 -8.495 2.159 -5.252
49 HZ2 LYS 7 HZ2 LYS 7 -9.493 2.448 -6.583
50 HZ3 LYS 7 HZ3 LYS 7 -9.225 3.673 -5.452
51 H TYR 8 H TYR 8 -5.413 5.732 -0.939
52 HA TYR 8 HA TYR 8 -2.854 6.907 -0.868
53 HB2 TYR 8 HB2 TYR 8 -4.854 7.672 0.437
54 HB3 TYR 8 HB3 TYR 8 -4.653 6.260 1.474
55 HD1 TYR 8 HD1 TYR 8 -3.175 6.305 3.298
56 HD2 TYR 8 HD2 TYR 8 -2.990 9.375 0.360
57 HE1 TYR 8 HE1 TYR 8 -1.654 7.585 4.744
58 HE2 TYR 8 HE2 TYR 8 -1.468 10.664 1.794
59 HH TYR 8 HH TYR 8 0.097 9.352 4.469
60 H CYS 9 H CYS 9 -4.159 3.938 0.524
61 HA CYS 9 HA CYS 9 -1.875 3.194 1.996
62 HB2 CYS 9 HB2 CYS 9 -4.160 2.186 2.264
63 HB3 CYS 9 HB3 CYS 9 -3.916 1.325 0.739
64 H TYR 10 H TYR 10 -2.947 2.227 -1.271
65 HA TYR 10 HA TYR 10 -0.659 0.650 -1.822
66 HB2 TYR 10 HB2 TYR 10 -2.742 1.925 -3.606
67 HB3 TYR 10 HB3 TYR 10 -1.384 1.008 -4.263
68 HD1 TYR 10 HD1 TYR 10 -4.671 0.823 -2.831
69 HD2 TYR 10 HD2 TYR 10 -1.123 -1.410 -3.555
70 HE1 TYR 10 HE1 TYR 10 -5.930 -1.261 -2.556
71 HE2 TYR 10 HE2 TYR 10 -2.376 -3.505 -3.277
72 HH TYR 10 HH TYR 10 -5.777 -3.609 -3.222
73 H GLU 11 H GLU 11 -1.257 4.072 -2.041
74 HA GLU 11 HA GLU 11 1.007 4.612 -3.686
75 HB2 GLU 11 HB2 GLU 11 -0.876 6.199 -3.533
76 HB3 GLU 11 HB3 GLU 11 -0.503 6.477 -1.820
77 HG2 GLU 11 HG2 GLU 11 1.749 7.296 -2.543
78 HG3 GLU 11 HG3 GLU 11 1.163 7.209 -4.220
79 H GLN 12 H GLN 12 0.406 4.953 -0.167
80 HA GLN 12 HA GLN 12 3.039 5.966 0.249
81 HB2 GLN 12 HB2 GLN 12 0.940 5.088 2.240
82 HB3 GLN 12 HB3 GLN 12 2.442 5.889 2.651
83 HG2 GLN 12 HG2 GLN 12 0.610 7.151 0.688
84 HG3 GLN 12 HG3 GLN 12 0.247 7.238 2.403
85 HE21 GLN 12 HE21 GLN 12 3.521 7.178 1.241
86 HE22 GLN 12 HE22 GLN 12 3.891 8.828 1.610
87 H CYS 13 H CYS 13 1.688 2.790 0.195
88 HA CYS 13 HA CYS 13 3.399 1.513 2.013
89 HB2 CYS 13 HB2 CYS 13 2.819 -0.568 0.864
90 HB3 CYS 13 HB3 CYS 13 1.376 0.444 1.004
91 H ASN 14 H ASN 14 3.764 1.882 -1.527
92 HA ASN 14 HA ASN 14 6.458 0.863 -1.409
93 HB2 ASN 14 HB2 ASN 14 6.560 1.275 -3.799
94 HB3 ASN 14 HB3 ASN 14 5.044 0.483 -3.406
95 HD21 ASN 14 HD21 ASN 14 3.072 1.746 -3.558
96 HD22 ASN 14 HD22 ASN 14 3.055 3.224 -4.459
97 H VAL 15 H VAL 15 4.981 4.030 -1.365
98 HA VAL 15 HA VAL 15 7.271 5.542 -2.000
99 HB VAL 15 HB VAL 15 4.878 6.288 -0.311
100 HG11 VAL 15 HG11 VAL 15 5.611 8.631 -0.606
101 HG12 VAL 15 HG12 VAL 15 7.105 8.050 -1.338
102 HG13 VAL 15 HG13 VAL 15 6.752 7.684 0.350
103 HG21 VAL 15 HG21 VAL 15 4.369 5.863 -2.668
104 HG22 VAL 15 HG22 VAL 15 5.630 6.999 -3.151
105 HG23 VAL 15 HG23 VAL 15 4.205 7.578 -2.287
106 H ASN 16 H ASN 16 6.136 4.120 1.029
107 HA ASN 16 HA ASN 16 8.218 5.373 2.576
108 HB2 ASN 16 HB2 ASN 16 6.430 3.006 3.229
109 HB3 ASN 16 HB3 ASN 16 7.548 3.772 4.364
110 HD21 ASN 16 HD21 ASN 16 6.961 6.448 3.240
111 HD22 ASN 16 HD22 ASN 16 5.411 6.874 3.886
112 H LYS 17 H LYS 17 7.681 1.874 2.272
113 HA LYS 17 HA LYS 17 9.760 1.277 0.581
114 HB2 LYS 17 HB2 LYS 17 11.213 2.164 2.427
115 HB3 LYS 17 HB3 LYS 17 10.600 0.868 3.463
116 HG2 LYS 17 HG2 LYS 17 12.589 -0.031 2.761
117 HG3 LYS 17 HG3 LYS 17 11.480 -0.694 1.556
118 HD2 LYS 17 HD2 LYS 17 12.142 1.145 -0.020
119 HD3 LYS 17 HD3 LYS 17 13.259 1.748 1.222
120 HE2 LYS 17 HE2 LYS 17 14.495 -0.347 1.141
121 HE3 LYS 17 HE3 LYS 17 13.378 -0.976 -0.069
122 HZ1 LYS 17 HZ1 LYS 17 15.197 1.350 -0.386
123 HZ2 LYS 17 HZ2 LYS 17 14.065 0.852 -1.537
124 HZ3 LYS 17 HZ3 LYS 17 15.353 -0.160 -1.131
125 H VAL 18 H VAL 18 7.946 -0.171 -0.007
126 HA VAL 18 HA VAL 18 8.324 -2.710 1.375
127 HB VAL 18 HB VAL 18 6.105 -3.248 1.810
128 HG11 VAL 18 HG11 VAL 18 6.835 -1.537 3.385
129 HG12 VAL 18 HG12 VAL 18 5.094 -1.472 3.118
130 HG13 VAL 18 HG13 VAL 18 6.147 -0.281 2.354
131 HG21 VAL 18 HG21 VAL 18 5.191 -0.982 0.049
132 HG22 VAL 18 HG22 VAL 18 4.150 -2.132 0.895
133 HG23 VAL 18 HG23 VAL 18 5.234 -2.692 -0.381
134 HA PRO 19 HA PRO 19 8.095 -4.231 -2.855
135 HB2 PRO 19 HB2 PRO 19 7.313 -6.785 -1.611
136 HB3 PRO 19 HB3 PRO 19 8.715 -6.422 -2.633
137 HG2 PRO 19 HG2 PRO 19 8.985 -6.899 -0.003
138 HG3 PRO 19 HG3 PRO 19 10.008 -5.730 -0.859
139 HD2 PRO 19 HD2 PRO 19 7.641 -5.218 0.916
140 HD3 PRO 19 HD3 PRO 19 9.186 -4.340 0.788
141 H PHE 20 H PHE 20 6.416 -4.980 -4.310
142 HA PHE 20 HA PHE 20 3.874 -3.996 -3.778
143 HB2 PHE 20 HB2 PHE 20 4.728 -4.479 -6.062
144 HB3 PHE 20 HB3 PHE 20 4.538 -6.199 -5.746
145 HD1 PHE 20 HD1 PHE 20 2.396 -7.252 -5.826
146 HD2 PHE 20 HD2 PHE 20 2.753 -3.032 -6.248
147 HE1 PHE 20 HE1 PHE 20 0.064 -7.136 -6.599
148 HE2 PHE 20 HE2 PHE 20 0.419 -2.910 -7.020
149 HZ PHE 20 HZ PHE 20 -0.927 -4.965 -7.196
150 H ASP 21 H ASP 21 5.046 -7.333 -3.472
151 HA ASP 21 HA ASP 21 2.627 -8.561 -2.840
152 HB2 ASP 21 HB2 ASP 21 4.018 -10.284 -1.667
153 HB3 ASP 21 HB3 ASP 21 4.529 -9.938 -3.316
154 H GLN 22 H GLN 22 4.900 -6.859 -0.735
155 HA GLN 22 HA GLN 22 3.524 -7.380 1.685
156 HB2 GLN 22 HB2 GLN 22 5.844 -6.625 1.657
157 HB3 GLN 22 HB3 GLN 22 5.353 -5.088 0.955
158 HG2 GLN 22 HG2 GLN 22 5.747 -4.816 3.306
159 HG3 GLN 22 HG3 GLN 22 4.020 -4.623 2.968
160 HE21 GLN 22 HE21 GLN 22 2.582 -6.163 3.684
161 HE22 GLN 22 HE22 GLN 22 3.003 -7.358 4.866
162 H CYS 23 H CYS 23 3.314 -4.805 -0.721
163 HA CYS 23 HA CYS 23 1.511 -3.154 0.717
164 HB2 CYS 23 HB2 CYS 23 2.823 -2.496 -1.386
165 HB3 CYS 23 HB3 CYS 23 1.596 -3.373 -2.303
166 H TYR 24 H TYR 24 1.025 -5.783 -1.581
167 HA TYR 24 HA TYR 24 -1.774 -5.724 -1.698
168 HB2 TYR 24 HB2 TYR 24 -0.393 -7.048 -3.247
169 HB3 TYR 24 HB3 TYR 24 0.110 -8.098 -1.911
170 HD1 TYR 24 HD1 TYR 24 -1.272 -9.877 -1.164
171 HD2 TYR 24 HD2 TYR 24 -2.741 -7.101 -4.024
172 HE1 TYR 24 HE1 TYR 24 -3.194 -11.341 -1.589
173 HE2 TYR 24 HE2 TYR 24 -4.664 -8.561 -4.461
174 HH TYR 24 HH TYR 24 -5.270 -10.928 -4.249
175 H GLN 25 H GLN 25 0.399 -6.970 0.740
176 HA GLN 25 HA GLN 25 -1.535 -8.705 1.937
177 HB2 GLN 25 HB2 GLN 25 1.184 -7.733 2.781
178 HB3 GLN 25 HB3 GLN 25 0.156 -8.615 3.906
179 HG2 GLN 25 HG2 GLN 25 1.057 -9.654 1.210
180 HG3 GLN 25 HG3 GLN 25 1.756 -10.092 2.767
181 HE21 GLN 25 HE21 GLN 25 0.428 -11.733 0.733
182 HE22 GLN 25 HE22 GLN 25 -0.871 -12.529 1.556
183 H MET 26 H MET 26 -0.558 -5.367 2.471
184 HA MET 26 HA MET 26 -2.248 -5.226 4.840
185 HB2 MET 26 HB2 MET 26 -0.543 -3.134 3.498
186 HB3 MET 26 HB3 MET 26 -1.475 -2.856 4.957
187 HG2 MET 26 HG2 MET 26 -0.122 -4.566 6.115
188 HG3 MET 26 HG3 MET 26 0.837 -4.773 4.648
189 HE1 MET 26 HE1 MET 26 2.366 -1.106 4.335
190 HE2 MET 26 HE2 MET 26 0.816 -1.626 3.682
191 HE3 MET 26 HE3 MET 26 2.228 -2.675 3.544
192 H CYS 27 H CYS 27 -2.102 -3.694 1.624
193 HA CYS 27 HA CYS 27 -4.346 -2.022 2.286
194 HB2 CYS 27 HB2 CYS 27 -2.966 -2.352 -0.395
195 HB3 CYS 27 HB3 CYS 27 -4.033 -1.025 0.103
196 H SER 28 H SER 28 -3.936 -4.993 0.422
197 HA SER 28 HA SER 28 -6.375 -4.745 -0.965
198 HB2 SER 28 HB2 SER 28 -4.850 -7.281 -0.381
199 HB3 SER 28 HB3 SER 28 -6.120 -7.073 -1.596
200 HG SER 28 HG SER 28 -4.505 -5.163 -2.136
201 HA PRO 29 HA PRO 29 -8.313 -7.542 2.586
202 HB2 PRO 29 HB2 PRO 29 -6.506 -6.594 4.762
203 HB3 PRO 29 HB3 PRO 29 -7.319 -8.163 4.578
204 HG2 PRO 29 HG2 PRO 29 -4.729 -7.981 4.065
205 HG3 PRO 29 HG3 PRO 29 -5.788 -8.917 2.977
206 HD2 PRO 29 HD2 PRO 29 -4.646 -6.156 2.602
207 HD3 PRO 29 HD3 PRO 29 -4.820 -7.478 1.424
208 H LEU 30 H LEU 30 -6.803 -4.422 3.029
209 HA LEU 30 HA LEU 30 -8.736 -3.190 4.679
210 HB2 LEU 30 HB2 LEU 30 -6.381 -2.355 4.045
211 HB3 LEU 30 HB3 LEU 30 -7.107 -1.829 2.519
212 HG LEU 30 HG LEU 30 -7.690 -0.761 5.303
213 HD11 LEU 30 HD11 LEU 30 -5.609 0.012 4.278
214 HD12 LEU 30 HD12 LEU 30 -6.793 1.317 4.373
215 HD13 LEU 30 HD13 LEU 30 -6.496 0.506 2.833
216 HD21 LEU 30 HD21 LEU 30 -9.770 -0.817 3.992
217 HD22 LEU 30 HD22 LEU 30 -8.967 0.054 2.684
218 HD23 LEU 30 HD23 LEU 30 -9.203 0.836 4.248
219 H GLU 31 H GLU 31 -8.197 -2.981 1.197
220 HA GLU 31 HA GLU 31 -10.518 -1.524 0.599
221 HB2 GLU 31 HB2 GLU 31 -8.574 -1.672 -0.915
222 HB3 GLU 31 HB3 GLU 31 -8.934 -3.379 -1.203
223 HG2 GLU 31 HG2 GLU 31 -11.137 -2.682 -2.140
224 HG3 GLU 31 HG3 GLU 31 -10.610 -1.000 -2.003
225 H ARG 32 H ARG 32 -9.869 -5.005 0.198
226 HA ARG 32 HA ARG 32 -12.625 -5.615 0.773
227 HB2 ARG 32 HB2 ARG 32 -12.887 -5.078 -1.575
228 HB3 ARG 32 HB3 ARG 32 -11.472 -6.047 -1.996
229 HG2 ARG 32 HG2 ARG 32 -13.432 -7.274 -2.645
230 HG3 ARG 32 HG3 ARG 32 -12.704 -8.087 -1.262
231 HD2 ARG 32 HD2 ARG 32 -15.228 -7.859 -1.262
232 HD3 ARG 32 HD3 ARG 32 -14.399 -7.345 0.202
233 HE ARG 32 HE ARG 32 -14.868 -5.222 -1.694
234 HH11 ARG 32 HH11 ARG 32 -16.217 -7.026 0.991
235 HH12 ARG 32 HH12 ARG 32 -17.329 -5.771 1.434
236 HH21 ARG 32 HH21 ARG 32 -16.330 -3.583 -1.117
237 HH22 ARG 32 HH22 ARG 32 -17.393 -3.814 0.237
238 H SER 33 H SER 33 -12.477 -7.294 2.087
239 HA SER 33 HA SER 33 -10.609 -9.460 1.390
240 HB2 SER 33 HB2 SER 33 -9.939 -7.976 3.438
241 HB3 SER 33 HB3 SER 33 -11.241 -8.825 4.268
242 HG SER 33 HG SER 33 -9.617 -10.158 4.639
Start of MODEL 21
1 HA ALA 1 HA ALA 1 -16.279 0.124 1.252
2 HB1 ALA 1 HB1 ALA 1 -15.163 -2.007 0.800
3 HB2 ALA 1 HB2 ALA 1 -14.500 -1.215 2.228
4 HB3 ALA 1 HB3 ALA 1 -13.613 -1.173 0.707
5 H SER 2 H SER 2 -13.052 0.986 -0.051
6 HA SER 2 HA SER 2 -13.153 3.519 1.364
7 HB2 SER 2 HB2 SER 2 -12.331 1.723 3.037
8 HB3 SER 2 HB3 SER 2 -10.874 1.642 2.045
9 HG SER 2 HG SER 2 -11.900 3.913 3.399
10 HA PRO 3 HA PRO 3 -10.912 3.052 -2.836
11 HB2 PRO 3 HB2 PRO 3 -12.408 5.625 -3.127
12 HB3 PRO 3 HB3 PRO 3 -12.101 4.350 -4.331
13 HG2 PRO 3 HG2 PRO 3 -14.479 4.531 -3.208
14 HG3 PRO 3 HG3 PRO 3 -13.718 2.939 -3.429
15 HD2 PRO 3 HD2 PRO 3 -13.971 4.561 -0.900
16 HD3 PRO 3 HD3 PRO 3 -14.108 2.795 -1.141
17 H GLN 4 H GLN 4 -11.387 5.990 -0.854
18 HA GLN 4 HA GLN 4 -9.115 7.303 -1.974
19 HB2 GLN 4 HB2 GLN 4 -10.725 7.908 0.507
20 HB3 GLN 4 HB3 GLN 4 -9.403 8.915 -0.064
21 HG2 GLN 4 HG2 GLN 4 -11.951 8.325 -1.572
22 HG3 GLN 4 HG3 GLN 4 -11.557 9.833 -0.748
23 HE21 GLN 4 HE21 GLN 4 -12.183 9.402 -3.555
24 HE22 GLN 4 HE22 GLN 4 -10.808 9.956 -4.452
25 H GLN 5 H GLN 5 -9.690 5.665 1.109
26 HA GLN 5 HA GLN 5 -7.047 6.103 2.055
27 HB2 GLN 5 HB2 GLN 5 -9.177 4.168 2.943
28 HB3 GLN 5 HB3 GLN 5 -7.617 4.308 3.736
29 HG2 GLN 5 HG2 GLN 5 -8.098 6.678 4.224
30 HG3 GLN 5 HG3 GLN 5 -9.689 6.491 3.491
31 HE21 GLN 5 HE21 GLN 5 -10.011 3.772 4.543
32 HE22 GLN 5 HE22 GLN 5 -10.338 3.958 6.235
33 H ALA 6 H ALA 6 -8.608 3.499 0.299
34 HA ALA 6 HA ALA 6 -6.482 1.655 0.382
35 HB1 ALA 6 HB1 ALA 6 -8.684 0.988 -0.386
36 HB2 ALA 6 HB2 ALA 6 -7.485 0.676 -1.643
37 HB3 ALA 6 HB3 ALA 6 -8.551 2.069 -1.772
38 H LYS 7 H LYS 7 -7.237 4.300 -1.843
39 HA LYS 7 HA LYS 7 -5.099 3.836 -3.625
40 HB2 LYS 7 HB2 LYS 7 -7.065 5.279 -4.136
41 HB3 LYS 7 HB3 LYS 7 -6.464 6.465 -2.990
42 HG2 LYS 7 HG2 LYS 7 -5.948 7.112 -5.271
43 HG3 LYS 7 HG3 LYS 7 -4.459 6.797 -4.342
44 HD2 LYS 7 HD2 LYS 7 -4.249 4.600 -5.376
45 HD3 LYS 7 HD3 LYS 7 -5.783 4.817 -6.226
46 HE2 LYS 7 HE2 LYS 7 -3.856 5.224 -7.710
47 HE3 LYS 7 HE3 LYS 7 -4.835 6.675 -7.493
48 HZ1 LYS 7 HZ1 LYS 7 -2.277 6.075 -6.111
49 HZ2 LYS 7 HZ2 LYS 7 -3.220 7.455 -5.854
50 HZ3 LYS 7 HZ3 LYS 7 -2.499 7.196 -7.360
51 H TYR 8 H TYR 8 -5.372 5.702 -0.647
52 HA TYR 8 HA TYR 8 -2.796 6.876 -0.751
53 HB2 TYR 8 HB2 TYR 8 -4.640 7.644 0.763
54 HB3 TYR 8 HB3 TYR 8 -4.407 6.175 1.713
55 HD1 TYR 8 HD1 TYR 8 -2.923 9.400 0.769
56 HD2 TYR 8 HD2 TYR 8 -2.553 5.943 3.217
57 HE1 TYR 8 HE1 TYR 8 -1.198 10.536 2.101
58 HE2 TYR 8 HE2 TYR 8 -0.824 7.066 4.558
59 HH TYR 8 HH TYR 8 -0.217 10.401 4.348
60 H CYS 9 H CYS 9 -4.046 3.851 0.525
61 HA CYS 9 HA CYS 9 -1.706 3.038 1.870
62 HB2 CYS 9 HB2 CYS 9 -4.011 2.059 2.182
63 HB3 CYS 9 HB3 CYS 9 -3.787 1.199 0.652
64 H TYR 10 H TYR 10 -2.948 2.108 -1.358
65 HA TYR 10 HA TYR 10 -0.664 0.569 -2.023
66 HB2 TYR 10 HB2 TYR 10 -2.846 1.811 -3.711
67 HB3 TYR 10 HB3 TYR 10 -1.505 0.913 -4.426
68 HD1 TYR 10 HD1 TYR 10 -1.190 -1.499 -3.779
69 HD2 TYR 10 HD2 TYR 10 -4.710 0.686 -2.799
70 HE1 TYR 10 HE1 TYR 10 -2.401 -3.613 -3.454
71 HE2 TYR 10 HE2 TYR 10 -5.926 -1.418 -2.467
72 HH TYR 10 HH TYR 10 -5.795 -3.753 -3.175
73 H GLU 11 H GLU 11 -1.398 3.976 -2.329
74 HA GLU 11 HA GLU 11 0.711 4.610 -4.105
75 HB2 GLU 11 HB2 GLU 11 -1.302 6.072 -3.555
76 HB3 GLU 11 HB3 GLU 11 -0.482 6.437 -2.022
77 HG2 GLU 11 HG2 GLU 11 1.374 7.425 -3.198
78 HG3 GLU 11 HG3 GLU 11 0.638 7.008 -4.764
79 H GLN 12 H GLN 12 0.401 5.091 -0.584
80 HA GLN 12 HA GLN 12 3.113 5.968 -0.425
81 HB2 GLN 12 HB2 GLN 12 1.027 5.449 1.688
82 HB3 GLN 12 HB3 GLN 12 2.625 6.089 2.035
83 HG2 GLN 12 HG2 GLN 12 0.944 7.437 -0.008
84 HG3 GLN 12 HG3 GLN 12 0.575 7.668 1.695
85 HE21 GLN 12 HE21 GLN 12 3.832 7.142 0.594
86 HE22 GLN 12 HE22 GLN 12 4.398 8.749 0.893
87 H CYS 13 H CYS 13 1.629 2.863 -0.169
88 HA CYS 13 HA CYS 13 3.188 1.684 1.817
89 HB2 CYS 13 HB2 CYS 13 2.639 -0.479 0.795
90 HB3 CYS 13 HB3 CYS 13 1.219 0.572 0.795
91 H ASN 14 H ASN 14 3.827 1.484 -1.709
92 HA ASN 14 HA ASN 14 6.458 0.487 -1.235
93 HB2 ASN 14 HB2 ASN 14 6.835 0.559 -3.588
94 HB3 ASN 14 HB3 ASN 14 5.185 0.021 -3.344
95 HD21 ASN 14 HD21 ASN 14 3.997 2.614 -2.927
96 HD22 ASN 14 HD22 ASN 14 4.083 3.455 -4.433
97 H VAL 15 H VAL 15 5.157 3.690 -1.562
98 HA VAL 15 HA VAL 15 7.568 5.035 -2.142
99 HB VAL 15 HB VAL 15 5.074 6.042 -0.764
100 HG11 VAL 15 HG11 VAL 15 5.930 8.304 -1.218
101 HG12 VAL 15 HG12 VAL 15 7.438 7.606 -1.807
102 HG13 VAL 15 HG13 VAL 15 6.983 7.417 -0.114
103 HG21 VAL 15 HG21 VAL 15 4.731 5.371 -3.091
104 HG22 VAL 15 HG22 VAL 15 6.082 6.387 -3.593
105 HG23 VAL 15 HG23 VAL 15 4.626 7.124 -2.924
106 H ASN 16 H ASN 16 5.930 4.264 0.924
107 HA ASN 16 HA ASN 16 7.855 5.472 2.610
108 HB2 ASN 16 HB2 ASN 16 6.067 3.077 3.173
109 HB3 ASN 16 HB3 ASN 16 6.948 4.009 4.386
110 HD21 ASN 16 HD21 ASN 16 6.386 6.563 3.051
111 HD22 ASN 16 HD22 ASN 16 4.724 6.903 3.396
112 H LYS 17 H LYS 17 7.368 1.958 2.447
113 HA LYS 17 HA LYS 17 9.539 1.319 0.888
114 HB2 LYS 17 HB2 LYS 17 10.953 2.195 2.711
115 HB3 LYS 17 HB3 LYS 17 10.216 1.031 3.822
116 HG2 LYS 17 HG2 LYS 17 11.145 -0.823 2.586
117 HG3 LYS 17 HG3 LYS 17 11.767 0.269 1.345
118 HD2 LYS 17 HD2 LYS 17 13.313 1.268 2.868
119 HD3 LYS 17 HD3 LYS 17 12.604 0.418 4.257
120 HE2 LYS 17 HE2 LYS 17 13.323 -1.724 3.276
121 HE3 LYS 17 HE3 LYS 17 14.027 -0.861 1.910
122 HZ1 LYS 17 HZ1 LYS 17 14.866 -0.628 4.746
123 HZ2 LYS 17 HZ2 LYS 17 15.513 0.271 3.469
124 HZ3 LYS 17 HZ3 LYS 17 15.720 -1.406 3.512
125 H VAL 18 H VAL 18 7.705 -0.081 0.243
126 HA VAL 18 HA VAL 18 8.064 -2.632 1.602
127 HB VAL 18 HB VAL 18 5.851 -3.204 1.963
128 HG11 VAL 18 HG11 VAL 18 5.743 -0.225 2.435
129 HG12 VAL 18 HG12 VAL 18 6.461 -1.417 3.520
130 HG13 VAL 18 HG13 VAL 18 4.727 -1.451 3.197
131 HG21 VAL 18 HG21 VAL 18 5.050 -2.747 -0.260
132 HG22 VAL 18 HG22 VAL 18 4.974 -1.017 0.089
133 HG23 VAL 18 HG23 VAL 18 3.907 -2.139 0.941
134 HA PRO 19 HA PRO 19 8.094 -4.073 -2.666
135 HB2 PRO 19 HB2 PRO 19 7.401 -6.679 -1.483
136 HB3 PRO 19 HB3 PRO 19 8.821 -6.225 -2.443
137 HG2 PRO 19 HG2 PRO 19 9.010 -6.733 0.189
138 HG3 PRO 19 HG3 PRO 19 10.008 -5.502 -0.611
139 HD2 PRO 19 HD2 PRO 19 7.553 -5.133 1.077
140 HD3 PRO 19 HD3 PRO 19 9.055 -4.178 1.017
141 H PHE 20 H PHE 20 6.485 -4.927 -4.191
142 HA PHE 20 HA PHE 20 3.933 -3.936 -3.702
143 HB2 PHE 20 HB2 PHE 20 4.877 -4.418 -5.976
144 HB3 PHE 20 HB3 PHE 20 4.541 -6.124 -5.699
145 HD1 PHE 20 HD1 PHE 20 3.057 -2.817 -6.219
146 HD2 PHE 20 HD2 PHE 20 2.296 -6.981 -5.787
147 HE1 PHE 20 HE1 PHE 20 0.754 -2.474 -7.015
148 HE2 PHE 20 HE2 PHE 20 -0.009 -6.644 -6.586
149 HZ PHE 20 HZ PHE 20 -0.781 -4.390 -7.201
150 H ASP 21 H ASP 21 5.082 -7.281 -3.389
151 HA ASP 21 HA ASP 21 2.585 -8.470 -2.908
152 HB2 ASP 21 HB2 ASP 21 3.772 -10.359 -2.024
153 HB3 ASP 21 HB3 ASP 21 4.706 -9.727 -3.374
154 H GLN 22 H GLN 22 4.889 -6.950 -0.693
155 HA GLN 22 HA GLN 22 3.464 -7.473 1.696
156 HB2 GLN 22 HB2 GLN 22 5.794 -6.763 1.724
157 HB3 GLN 22 HB3 GLN 22 5.358 -5.218 1.000
158 HG2 GLN 22 HG2 GLN 22 5.690 -4.845 3.305
159 HG3 GLN 22 HG3 GLN 22 3.946 -4.773 3.010
160 HE21 GLN 22 HE21 GLN 22 3.431 -5.224 5.124
161 HE22 GLN 22 HE22 GLN 22 3.649 -6.795 5.823
162 H CYS 23 H CYS 23 3.330 -4.863 -0.679
163 HA CYS 23 HA CYS 23 1.505 -3.203 0.719
164 HB2 CYS 23 HB2 CYS 23 2.840 -2.526 -1.343
165 HB3 CYS 23 HB3 CYS 23 1.690 -3.463 -2.300
166 H TYR 24 H TYR 24 1.056 -5.827 -1.594
167 HA TYR 24 HA TYR 24 -1.757 -5.753 -1.696
168 HB2 TYR 24 HB2 TYR 24 -0.183 -6.996 -3.258
169 HB3 TYR 24 HB3 TYR 24 -0.029 -8.225 -1.991
170 HD1 TYR 24 HD1 TYR 24 -2.073 -6.926 -4.672
171 HD2 TYR 24 HD2 TYR 24 -2.034 -9.531 -1.318
172 HE1 TYR 24 HE1 TYR 24 -4.077 -8.058 -5.533
173 HE2 TYR 24 HE2 TYR 24 -4.037 -10.662 -2.161
174 HH TYR 24 HH TYR 24 -5.920 -10.209 -3.638
175 H GLN 25 H GLN 25 0.464 -7.021 0.668
176 HA GLN 25 HA GLN 25 -1.357 -8.848 1.900
177 HB2 GLN 25 HB2 GLN 25 1.168 -7.528 2.937
178 HB3 GLN 25 HB3 GLN 25 0.239 -8.677 3.882
179 HG2 GLN 25 HG2 GLN 25 0.671 -10.412 2.174
180 HG3 GLN 25 HG3 GLN 25 1.635 -9.258 1.255
181 HE21 GLN 25 HE21 GLN 25 3.481 -10.492 1.431
182 HE22 GLN 25 HE22 GLN 25 4.360 -10.642 2.914
183 H MET 26 H MET 26 -0.486 -5.486 2.429
184 HA MET 26 HA MET 26 -2.180 -5.336 4.780
185 HB2 MET 26 HB2 MET 26 -0.100 -4.229 5.023
186 HB3 MET 26 HB3 MET 26 -0.247 -3.458 3.454
187 HG2 MET 26 HG2 MET 26 -2.097 -2.077 4.332
188 HG3 MET 26 HG3 MET 26 -1.859 -2.814 5.917
189 HE1 MET 26 HE1 MET 26 1.416 -0.270 3.861
190 HE2 MET 26 HE2 MET 26 -0.043 -0.830 3.042
191 HE3 MET 26 HE3 MET 26 1.205 -1.985 3.517
192 H CYS 27 H CYS 27 -1.997 -3.785 1.568
193 HA CYS 27 HA CYS 27 -4.210 -2.069 2.206
194 HB2 CYS 27 HB2 CYS 27 -2.858 -2.491 -0.477
195 HB3 CYS 27 HB3 CYS 27 -3.907 -1.138 -0.008
196 H SER 28 H SER 28 -3.897 -5.110 0.456
197 HA SER 28 HA SER 28 -6.277 -4.871 -1.005
198 HB2 SER 28 HB2 SER 28 -4.822 -7.375 -0.161
199 HB3 SER 28 HB3 SER 28 -6.159 -7.321 -1.322
200 HG SER 28 HG SER 28 -4.472 -5.469 -2.088
201 HA PRO 29 HA PRO 29 -8.504 -7.209 2.737
202 HB2 PRO 29 HB2 PRO 29 -6.739 -6.023 4.835
203 HB3 PRO 29 HB3 PRO 29 -7.622 -7.564 4.847
204 HG2 PRO 29 HG2 PRO 29 -5.011 -7.574 4.418
205 HG3 PRO 29 HG3 PRO 29 -6.076 -8.614 3.436
206 HD2 PRO 29 HD2 PRO 29 -4.771 -6.004 2.703
207 HD3 PRO 29 HD3 PRO 29 -5.009 -7.466 1.718
208 H LEU 30 H LEU 30 -6.854 -4.115 3.101
209 HA LEU 30 HA LEU 30 -8.919 -2.682 4.383
210 HB2 LEU 30 HB2 LEU 30 -6.456 -2.034 4.074
211 HB3 LEU 30 HB3 LEU 30 -6.895 -1.563 2.424
212 HG LEU 30 HG LEU 30 -7.961 -0.297 4.976
213 HD11 LEU 30 HD11 LEU 30 -6.606 1.633 4.253
214 HD12 LEU 30 HD12 LEU 30 -5.962 0.661 2.927
215 HD13 LEU 30 HD13 LEU 30 -5.615 0.214 4.599
216 HD21 LEU 30 HD21 LEU 30 -8.330 0.556 2.097
217 HD22 LEU 30 HD22 LEU 30 -8.936 1.392 3.530
218 HD23 LEU 30 HD23 LEU 30 -9.569 -0.201 3.100
219 H GLU 31 H GLU 31 -8.095 -3.193 1.014
220 HA GLU 31 HA GLU 31 -10.099 -1.400 0.040
221 HB2 GLU 31 HB2 GLU 31 -7.945 -1.760 -1.126
222 HB3 GLU 31 HB3 GLU 31 -8.424 -3.428 -1.460
223 HG2 GLU 31 HG2 GLU 31 -10.291 -2.623 -2.817
224 HG3 GLU 31 HG3 GLU 31 -9.814 -0.952 -2.492
225 H ARG 32 H ARG 32 -9.858 -4.910 0.374
226 HA ARG 32 HA ARG 32 -12.725 -5.101 -0.082
227 HB2 ARG 32 HB2 ARG 32 -11.768 -5.362 -2.348
228 HB3 ARG 32 HB3 ARG 32 -10.720 -6.653 -1.751
229 HG2 ARG 32 HG2 ARG 32 -12.456 -7.814 -2.803
230 HG3 ARG 32 HG3 ARG 32 -12.883 -7.875 -1.094
231 HD2 ARG 32 HD2 ARG 32 -14.093 -6.129 -3.241
232 HD3 ARG 32 HD3 ARG 32 -14.866 -7.410 -2.317
233 HE ARG 32 HE ARG 32 -13.996 -4.849 -1.135
234 HH11 ARG 32 HH11 ARG 32 -16.285 -7.489 -1.395
235 HH12 ARG 32 HH12 ARG 32 -17.356 -6.841 -0.200
236 HH21 ARG 32 HH21 ARG 32 -15.404 -4.000 0.435
237 HH22 ARG 32 HH22 ARG 32 -16.864 -4.847 0.834
238 H SER 33 H SER 33 -13.539 -6.347 1.451
239 HA SER 33 HA SER 33 -12.397 -8.941 2.006
240 HB2 SER 33 HB2 SER 33 -12.607 -6.857 4.206
241 HB3 SER 33 HB3 SER 33 -12.414 -8.584 4.502
242 HG SER 33 HG SER 33 -10.609 -7.455 2.730
Start of MODEL 22
1 HA ALA 1 HA ALA 1 -15.524 1.115 1.612
2 HB1 ALA 1 HB1 ALA 1 -15.568 1.478 -0.800
3 HB2 ALA 1 HB2 ALA 1 -17.069 2.389 -0.646
4 HB3 ALA 1 HB3 ALA 1 -17.040 0.669 -0.260
5 H SER 2 H SER 2 -13.802 2.372 0.322
6 HA SER 2 HA SER 2 -13.866 5.233 0.465
7 HB2 SER 2 HB2 SER 2 -13.516 4.576 2.902
8 HB3 SER 2 HB3 SER 2 -11.979 3.865 2.410
9 HG SER 2 HG SER 2 -12.666 6.565 1.871
10 HA PRO 3 HA PRO 3 -11.109 3.083 -2.683
11 HB2 PRO 3 HB2 PRO 3 -12.076 5.545 -4.078
12 HB3 PRO 3 HB3 PRO 3 -11.833 3.904 -4.722
13 HG2 PRO 3 HG2 PRO 3 -14.274 4.738 -4.198
14 HG3 PRO 3 HG3 PRO 3 -13.779 3.099 -3.721
15 HD2 PRO 3 HD2 PRO 3 -14.085 5.544 -1.986
16 HD3 PRO 3 HD3 PRO 3 -14.510 3.837 -1.645
17 H GLN 4 H GLN 4 -11.301 6.360 -1.442
18 HA GLN 4 HA GLN 4 -8.813 7.219 -2.546
19 HB2 GLN 4 HB2 GLN 4 -10.477 8.366 -0.301
20 HB3 GLN 4 HB3 GLN 4 -9.008 9.113 -0.914
21 HG2 GLN 4 HG2 GLN 4 -11.527 8.608 -2.501
22 HG3 GLN 4 HG3 GLN 4 -10.986 10.165 -1.880
23 HE21 GLN 4 HE21 GLN 4 -8.170 9.612 -2.514
24 HE22 GLN 4 HE22 GLN 4 -8.036 9.772 -4.233
25 H GLN 5 H GLN 5 -9.804 6.026 0.647
26 HA GLN 5 HA GLN 5 -7.237 6.362 1.793
27 HB2 GLN 5 HB2 GLN 5 -8.056 5.408 3.724
28 HB3 GLN 5 HB3 GLN 5 -9.533 5.989 2.980
29 HG2 GLN 5 HG2 GLN 5 -10.015 3.749 2.157
30 HG3 GLN 5 HG3 GLN 5 -8.510 3.160 2.855
31 HE21 GLN 5 HE21 GLN 5 -8.826 4.882 5.245
32 HE22 GLN 5 HE22 GLN 5 -10.041 4.108 6.205
33 H ALA 6 H ALA 6 -8.774 3.791 0.035
34 HA ALA 6 HA ALA 6 -6.783 1.822 0.417
35 HB1 ALA 6 HB1 ALA 6 -8.961 1.228 -0.470
36 HB2 ALA 6 HB2 ALA 6 -7.694 0.778 -1.613
37 HB3 ALA 6 HB3 ALA 6 -8.667 2.214 -1.902
38 H LYS 7 H LYS 7 -7.234 4.325 -2.050
39 HA LYS 7 HA LYS 7 -4.979 3.617 -3.593
40 HB2 LYS 7 HB2 LYS 7 -6.811 5.066 -4.433
41 HB3 LYS 7 HB3 LYS 7 -6.290 6.333 -3.332
42 HG2 LYS 7 HG2 LYS 7 -5.482 6.796 -5.552
43 HG3 LYS 7 HG3 LYS 7 -4.115 6.430 -4.473
44 HD2 LYS 7 HD2 LYS 7 -4.141 4.084 -5.347
45 HD3 LYS 7 HD3 LYS 7 -5.394 4.560 -6.498
46 HE2 LYS 7 HE2 LYS 7 -2.575 5.638 -6.334
47 HE3 LYS 7 HE3 LYS 7 -3.225 4.596 -7.599
48 HZ1 LYS 7 HZ1 LYS 7 -4.731 6.373 -8.236
49 HZ2 LYS 7 HZ2 LYS 7 -3.126 6.901 -8.298
50 HZ3 LYS 7 HZ3 LYS 7 -4.119 7.370 -7.015
51 H TYR 8 H TYR 8 -5.435 5.742 -0.826
52 HA TYR 8 HA TYR 8 -2.864 6.874 -0.747
53 HB2 TYR 8 HB2 TYR 8 -4.803 7.658 0.609
54 HB3 TYR 8 HB3 TYR 8 -4.667 6.195 1.587
55 HD1 TYR 8 HD1 TYR 8 -3.025 9.375 0.720
56 HD2 TYR 8 HD2 TYR 8 -3.038 6.001 3.309
57 HE1 TYR 8 HE1 TYR 8 -1.456 10.526 2.220
58 HE2 TYR 8 HE2 TYR 8 -1.463 7.140 4.813
59 HH TYR 8 HH TYR 8 0.201 8.928 4.731
60 H CYS 9 H CYS 9 -4.171 3.877 0.592
61 HA CYS 9 HA CYS 9 -1.875 3.095 2.027
62 HB2 CYS 9 HB2 CYS 9 -4.172 2.089 2.283
63 HB3 CYS 9 HB3 CYS 9 -3.915 1.237 0.753
64 H TYR 10 H TYR 10 -2.976 2.225 -1.250
65 HA TYR 10 HA TYR 10 -0.684 0.664 -1.861
66 HB2 TYR 10 HB2 TYR 10 -2.842 1.908 -3.574
67 HB3 TYR 10 HB3 TYR 10 -1.481 1.033 -4.280
68 HD1 TYR 10 HD1 TYR 10 -1.139 -1.372 -3.652
69 HD2 TYR 10 HD2 TYR 10 -4.708 0.740 -2.698
70 HE1 TYR 10 HE1 TYR 10 -2.314 -3.504 -3.359
71 HE2 TYR 10 HE2 TYR 10 -5.891 -1.385 -2.399
72 HH TYR 10 HH TYR 10 -5.651 -3.757 -3.215
73 H GLU 11 H GLU 11 -1.421 4.090 -2.244
74 HA GLU 11 HA GLU 11 0.797 4.651 -3.910
75 HB2 GLU 11 HB2 GLU 11 -1.140 6.189 -3.679
76 HB3 GLU 11 HB3 GLU 11 -0.645 6.535 -2.009
77 HG2 GLU 11 HG2 GLU 11 1.486 7.440 -2.874
78 HG3 GLU 11 HG3 GLU 11 0.885 7.178 -4.529
79 H GLN 12 H GLN 12 0.335 4.942 -0.373
80 HA GLN 12 HA GLN 12 2.956 6.015 -0.021
81 HB2 GLN 12 HB2 GLN 12 0.841 5.092 1.919
82 HB3 GLN 12 HB3 GLN 12 2.389 5.741 2.435
83 HG2 GLN 12 HG2 GLN 12 0.776 7.313 0.513
84 HG3 GLN 12 HG3 GLN 12 0.257 7.249 2.192
85 HE21 GLN 12 HE21 GLN 12 3.611 7.056 1.290
86 HE22 GLN 12 HE22 GLN 12 4.063 8.609 1.903
87 H CYS 13 H CYS 13 1.718 2.797 -0.141
88 HA CYS 13 HA CYS 13 3.373 1.566 1.756
89 HB2 CYS 13 HB2 CYS 13 2.861 -0.539 0.645
90 HB3 CYS 13 HB3 CYS 13 1.407 0.461 0.676
91 H ASN 14 H ASN 14 3.900 1.728 -1.793
92 HA ASN 14 HA ASN 14 6.609 0.861 -1.471
93 HB2 ASN 14 HB2 ASN 14 6.828 1.420 -3.924
94 HB3 ASN 14 HB3 ASN 14 5.600 0.236 -3.512
95 HD21 ASN 14 HD21 ASN 14 5.384 3.794 -3.312
96 HD22 ASN 14 HD22 ASN 14 4.089 3.921 -4.453
97 H VAL 15 H VAL 15 5.065 3.972 -1.536
98 HA VAL 15 HA VAL 15 7.313 5.560 -2.116
99 HB VAL 15 HB VAL 15 4.864 6.166 -0.453
100 HG11 VAL 15 HG11 VAL 15 5.530 8.531 -0.544
101 HG12 VAL 15 HG12 VAL 15 7.054 8.067 -1.297
102 HG13 VAL 15 HG13 VAL 15 6.698 7.562 0.353
103 HG21 VAL 15 HG21 VAL 15 4.497 5.861 -2.864
104 HG22 VAL 15 HG22 VAL 15 5.705 7.101 -3.200
105 HG23 VAL 15 HG23 VAL 15 4.210 7.528 -2.368
106 H ASN 16 H ASN 16 6.079 4.220 0.924
107 HA ASN 16 HA ASN 16 8.126 5.426 2.522
108 HB2 ASN 16 HB2 ASN 16 6.344 3.037 3.105
109 HB3 ASN 16 HB3 ASN 16 7.362 3.863 4.290
110 HD21 ASN 16 HD21 ASN 16 4.497 3.524 4.421
111 HD22 ASN 16 HD22 ASN 16 3.818 5.117 4.423
112 H LYS 17 H LYS 17 7.551 1.937 2.197
113 HA LYS 17 HA LYS 17 9.783 1.224 0.748
114 HB2 LYS 17 HB2 LYS 17 11.081 2.179 2.636
115 HB3 LYS 17 HB3 LYS 17 10.299 1.025 3.722
116 HG2 LYS 17 HG2 LYS 17 11.315 -0.831 2.478
117 HG3 LYS 17 HG3 LYS 17 12.116 0.332 1.412
118 HD2 LYS 17 HD2 LYS 17 13.392 1.244 3.219
119 HD3 LYS 17 HD3 LYS 17 12.487 0.304 4.425
120 HE2 LYS 17 HE2 LYS 17 13.372 -1.770 3.357
121 HE3 LYS 17 HE3 LYS 17 14.348 -0.762 2.289
122 HZ1 LYS 17 HZ1 LYS 17 15.464 0.148 4.233
123 HZ2 LYS 17 HZ2 LYS 17 15.634 -1.534 4.170
124 HZ3 LYS 17 HZ3 LYS 17 14.537 -0.838 5.249
125 H VAL 18 H VAL 18 7.981 -0.218 0.058
126 HA VAL 18 HA VAL 18 8.175 -2.701 1.552
127 HB VAL 18 HB VAL 18 5.964 -3.131 2.011
128 HG11 VAL 18 HG11 VAL 18 5.933 -0.121 2.192
129 HG12 VAL 18 HG12 VAL 18 6.597 -1.228 3.393
130 HG13 VAL 18 HG13 VAL 18 4.867 -1.237 3.050
131 HG21 VAL 18 HG21 VAL 18 5.092 -1.112 -0.047
132 HG22 VAL 18 HG22 VAL 18 4.035 -2.170 0.896
133 HG23 VAL 18 HG23 VAL 18 5.175 -2.862 -0.262
134 HA PRO 19 HA PRO 19 8.096 -4.315 -2.653
135 HB2 PRO 19 HB2 PRO 19 7.307 -6.858 -1.411
136 HB3 PRO 19 HB3 PRO 19 8.764 -6.474 -2.346
137 HG2 PRO 19 HG2 PRO 19 8.858 -6.920 0.308
138 HG3 PRO 19 HG3 PRO 19 9.933 -5.767 -0.504
139 HD2 PRO 19 HD2 PRO 19 7.463 -5.224 1.112
140 HD3 PRO 19 HD3 PRO 19 9.012 -4.347 1.060
141 H PHE 20 H PHE 20 6.499 -5.127 -4.154
142 HA PHE 20 HA PHE 20 3.932 -4.181 -3.799
143 HB2 PHE 20 HB2 PHE 20 4.878 -4.774 -6.009
144 HB3 PHE 20 HB3 PHE 20 4.721 -6.481 -5.605
145 HD1 PHE 20 HD1 PHE 20 2.888 -3.399 -6.379
146 HD2 PHE 20 HD2 PHE 20 2.595 -7.588 -5.687
147 HE1 PHE 20 HE1 PHE 20 0.581 -3.381 -7.241
148 HE2 PHE 20 HE2 PHE 20 0.294 -7.576 -6.548
149 HZ PHE 20 HZ PHE 20 -0.716 -5.470 -7.327
150 H ASP 21 H ASP 21 5.108 -7.485 -3.219
151 HA ASP 21 HA ASP 21 2.625 -8.655 -2.704
152 HB2 ASP 21 HB2 ASP 21 3.878 -10.399 -1.458
153 HB3 ASP 21 HB3 ASP 21 4.545 -10.069 -3.051
154 H GLN 22 H GLN 22 4.847 -6.982 -0.516
155 HA GLN 22 HA GLN 22 3.267 -7.400 1.804
156 HB2 GLN 22 HB2 GLN 22 5.634 -6.810 1.970
157 HB3 GLN 22 HB3 GLN 22 5.318 -5.256 1.205
158 HG2 GLN 22 HG2 GLN 22 3.888 -4.634 3.102
159 HG3 GLN 22 HG3 GLN 22 4.270 -6.176 3.873
160 HE21 GLN 22 HE21 GLN 22 7.029 -6.160 2.960
161 HE22 GLN 22 HE22 GLN 22 7.856 -4.992 3.935
162 H CYS 23 H CYS 23 3.385 -4.870 -0.662
163 HA CYS 23 HA CYS 23 1.605 -3.076 0.596
164 HB2 CYS 23 HB2 CYS 23 2.984 -2.552 -1.481
165 HB3 CYS 23 HB3 CYS 23 1.807 -3.493 -2.398
166 H TYR 24 H TYR 24 1.054 -5.750 -1.639
167 HA TYR 24 HA TYR 24 -1.748 -5.530 -1.729
168 HB2 TYR 24 HB2 TYR 24 -0.432 -6.852 -3.362
169 HB3 TYR 24 HB3 TYR 24 -0.034 -8.011 -2.083
170 HD1 TYR 24 HD1 TYR 24 -1.578 -9.681 -1.412
171 HD2 TYR 24 HD2 TYR 24 -2.764 -6.670 -4.168
172 HE1 TYR 24 HE1 TYR 24 -3.618 -10.949 -1.909
173 HE2 TYR 24 HE2 TYR 24 -4.808 -7.932 -4.677
174 HH TYR 24 HH TYR 24 -5.632 -10.236 -4.557
175 H GLN 25 H GLN 25 0.423 -7.208 0.509
176 HA GLN 25 HA GLN 25 -1.641 -8.797 1.669
177 HB2 GLN 25 HB2 GLN 25 -0.024 -9.687 3.097
178 HB3 GLN 25 HB3 GLN 25 0.959 -9.167 1.735
179 HG2 GLN 25 HG2 GLN 25 1.597 -7.142 2.950
180 HG3 GLN 25 HG3 GLN 25 0.566 -7.619 4.294
181 HE21 GLN 25 HE21 GLN 25 1.196 -9.300 5.629
182 HE22 GLN 25 HE22 GLN 25 2.810 -9.930 5.629
183 H MET 26 H MET 26 -0.441 -5.598 2.272
184 HA MET 26 HA MET 26 -1.887 -5.406 4.779
185 HB2 MET 26 HB2 MET 26 0.231 -4.330 4.814
186 HB3 MET 26 HB3 MET 26 -0.074 -3.532 3.280
187 HG2 MET 26 HG2 MET 26 -1.791 -2.138 4.345
188 HG3 MET 26 HG3 MET 26 -1.466 -2.929 5.887
189 HE1 MET 26 HE1 MET 26 0.167 -0.836 2.983
190 HE2 MET 26 HE2 MET 26 1.412 -2.049 3.288
191 HE3 MET 26 HE3 MET 26 1.703 -0.362 3.704
192 H CYS 27 H CYS 27 -1.991 -3.880 1.553
193 HA CYS 27 HA CYS 27 -4.213 -2.231 2.386
194 HB2 CYS 27 HB2 CYS 27 -2.945 -2.472 -0.361
195 HB3 CYS 27 HB3 CYS 27 -4.051 -1.199 0.193
196 H SER 28 H SER 28 -3.878 -5.231 0.584
197 HA SER 28 HA SER 28 -6.320 -5.042 -0.802
198 HB2 SER 28 HB2 SER 28 -4.622 -6.706 -1.436
199 HB3 SER 28 HB3 SER 28 -4.973 -7.610 0.046
200 HG SER 28 HG SER 28 -6.607 -7.186 -2.218
201 HA PRO 29 HA PRO 29 -8.308 -7.461 3.036
202 HB2 PRO 29 HB2 PRO 29 -6.554 -6.096 5.038
203 HB3 PRO 29 HB3 PRO 29 -7.358 -7.676 5.142
204 HG2 PRO 29 HG2 PRO 29 -4.771 -7.588 4.618
205 HG3 PRO 29 HG3 PRO 29 -5.818 -8.701 3.698
206 HD2 PRO 29 HD2 PRO 29 -4.655 -6.057 2.860
207 HD3 PRO 29 HD3 PRO 29 -4.867 -7.551 1.915
208 H LEU 30 H LEU 30 -6.971 -4.243 2.987
209 HA LEU 30 HA LEU 30 -9.147 -2.960 4.353
210 HB2 LEU 30 HB2 LEU 30 -6.712 -2.137 4.084
211 HB3 LEU 30 HB3 LEU 30 -7.181 -1.683 2.440
212 HG LEU 30 HG LEU 30 -8.262 -0.526 5.030
213 HD11 LEU 30 HD11 LEU 30 -6.565 0.629 2.815
214 HD12 LEU 30 HD12 LEU 30 -6.039 0.256 4.458
215 HD13 LEU 30 HD13 LEU 30 -7.216 1.540 4.178
216 HD21 LEU 30 HD21 LEU 30 -10.046 -0.635 3.343
217 HD22 LEU 30 HD22 LEU 30 -9.002 0.190 2.184
218 HD23 LEU 30 HD23 LEU 30 -9.537 1.029 3.641
219 H GLU 31 H GLU 31 -7.973 -2.882 1.033
220 HA GLU 31 HA GLU 31 -10.129 -1.474 -0.060
221 HB2 GLU 31 HB2 GLU 31 -7.855 -1.698 -1.064
222 HB3 GLU 31 HB3 GLU 31 -8.239 -3.375 -1.471
223 HG2 GLU 31 HG2 GLU 31 -9.981 -1.163 -2.500
224 HG3 GLU 31 HG3 GLU 31 -8.431 -1.513 -3.280
225 H ARG 32 H ARG 32 -9.588 -4.934 0.269
226 HA ARG 32 HA ARG 32 -12.227 -5.399 -0.947
227 HB2 ARG 32 HB2 ARG 32 -9.885 -7.272 -0.513
228 HB3 ARG 32 HB3 ARG 32 -11.490 -7.850 -0.959
229 HG2 ARG 32 HG2 ARG 32 -9.812 -5.921 -2.604
230 HG3 ARG 32 HG3 ARG 32 -9.928 -7.655 -2.899
231 HD2 ARG 32 HD2 ARG 32 -11.367 -6.470 -4.428
232 HD3 ARG 32 HD3 ARG 32 -12.367 -7.379 -3.303
233 HE ARG 32 HE ARG 32 -11.834 -4.505 -2.897
234 HH11 ARG 32 HH11 ARG 32 -14.108 -7.129 -3.420
235 HH12 ARG 32 HH12 ARG 32 -15.494 -6.166 -3.022
236 HH21 ARG 32 HH21 ARG 32 -13.643 -3.256 -2.359
237 HH22 ARG 32 HH22 ARG 32 -15.231 -3.956 -2.410
238 H SER 33 H SER 33 -13.720 -5.242 0.585
239 HA SER 33 HA SER 33 -13.468 -7.047 2.887
240 HB2 SER 33 HB2 SER 33 -14.419 -4.166 3.085
241 HB3 SER 33 HB3 SER 33 -14.398 -5.339 4.400
242 HG SER 33 HG SER 33 -12.086 -4.527 2.956
Start of MODEL 23
1 HA ALA 1 HA ALA 1 -18.076 3.883 -0.494
2 HB1 ALA 1 HB1 ALA 1 -18.466 4.757 1.745
3 HB2 ALA 1 HB2 ALA 1 -17.393 3.533 2.422
4 HB3 ALA 1 HB3 ALA 1 -18.904 3.052 1.652
5 H SER 2 H SER 2 -14.906 3.176 -0.225
6 HA SER 2 HA SER 2 -14.081 5.887 -0.660
7 HB2 SER 2 HB2 SER 2 -14.257 5.754 1.885
8 HB3 SER 2 HB3 SER 2 -12.959 4.559 1.829
9 HG SER 2 HG SER 2 -12.445 6.926 2.125
10 HA PRO 3 HA PRO 3 -11.434 2.484 -2.508
11 HB2 PRO 3 HB2 PRO 3 -11.789 4.119 -4.946
12 HB3 PRO 3 HB3 PRO 3 -11.970 2.364 -4.722
13 HG2 PRO 3 HG2 PRO 3 -14.095 3.954 -5.088
14 HG3 PRO 3 HG3 PRO 3 -14.151 2.541 -4.014
15 HD2 PRO 3 HD2 PRO 3 -13.903 5.455 -3.275
16 HD3 PRO 3 HD3 PRO 3 -14.839 4.151 -2.480
17 H GLN 4 H GLN 4 -11.410 5.899 -2.229
18 HA GLN 4 HA GLN 4 -8.898 6.378 -3.491
19 HB2 GLN 4 HB2 GLN 4 -10.501 8.063 -1.565
20 HB3 GLN 4 HB3 GLN 4 -9.024 8.604 -2.351
21 HG2 GLN 4 HG2 GLN 4 -11.339 7.627 -3.986
22 HG3 GLN 4 HG3 GLN 4 -11.309 9.275 -3.369
23 HE21 GLN 4 HE21 GLN 4 -8.346 7.673 -4.285
24 HE22 GLN 4 HE22 GLN 4 -8.076 8.585 -5.726
25 H GLN 5 H GLN 5 -9.924 5.800 -0.175
26 HA GLN 5 HA GLN 5 -7.433 6.366 1.008
27 HB2 GLN 5 HB2 GLN 5 -8.238 5.379 3.003
28 HB3 GLN 5 HB3 GLN 5 -9.619 6.151 2.242
29 HG2 GLN 5 HG2 GLN 5 -10.428 4.017 1.449
30 HG3 GLN 5 HG3 GLN 5 -8.992 3.212 2.080
31 HE21 GLN 5 HE21 GLN 5 -8.937 4.834 4.510
32 HE22 GLN 5 HE22 GLN 5 -10.217 4.234 5.508
33 H ALA 6 H ALA 6 -8.706 3.527 -0.533
34 HA ALA 6 HA ALA 6 -6.655 1.735 0.247
35 HB1 ALA 6 HB1 ALA 6 -7.364 0.360 -1.657
36 HB2 ALA 6 HB2 ALA 6 -8.362 1.691 -2.245
37 HB3 ALA 6 HB3 ALA 6 -8.744 0.914 -0.707
38 H LYS 7 H LYS 7 -6.993 4.009 -2.426
39 HA LYS 7 HA LYS 7 -4.629 3.286 -3.798
40 HB2 LYS 7 HB2 LYS 7 -6.402 4.680 -4.815
41 HB3 LYS 7 HB3 LYS 7 -6.020 5.977 -3.694
42 HG2 LYS 7 HG2 LYS 7 -5.041 6.488 -5.808
43 HG3 LYS 7 HG3 LYS 7 -3.734 6.087 -4.665
44 HD2 LYS 7 HD2 LYS 7 -3.663 3.791 -5.596
45 HD3 LYS 7 HD3 LYS 7 -4.922 4.227 -6.753
46 HE2 LYS 7 HE2 LYS 7 -2.767 4.344 -7.854
47 HE3 LYS 7 HE3 LYS 7 -3.408 5.976 -7.667
48 HZ1 LYS 7 HZ1 LYS 7 -1.052 5.833 -7.117
49 HZ2 LYS 7 HZ2 LYS 7 -1.388 4.721 -5.891
50 HZ3 LYS 7 HZ3 LYS 7 -1.962 6.312 -5.773
51 H TYR 8 H TYR 8 -5.304 5.521 -1.170
52 HA TYR 8 HA TYR 8 -2.763 6.703 -0.955
53 HB2 TYR 8 HB2 TYR 8 -4.801 7.551 0.175
54 HB3 TYR 8 HB3 TYR 8 -4.778 6.141 1.234
55 HD1 TYR 8 HD1 TYR 8 -3.037 9.271 0.381
56 HD2 TYR 8 HD2 TYR 8 -3.348 6.048 3.134
57 HE1 TYR 8 HE1 TYR 8 -1.652 10.517 1.985
58 HE2 TYR 8 HE2 TYR 8 -1.954 7.277 4.742
59 HH TYR 8 HH TYR 8 -0.287 9.075 4.744
60 H CYS 9 H CYS 9 -4.141 3.796 0.506
61 HA CYS 9 HA CYS 9 -1.986 3.133 2.179
62 HB2 CYS 9 HB2 CYS 9 -4.289 2.091 2.228
63 HB3 CYS 9 HB3 CYS 9 -3.837 1.155 0.797
64 H TYR 10 H TYR 10 -2.723 2.096 -1.138
65 HA TYR 10 HA TYR 10 -0.392 0.509 -1.448
66 HB2 TYR 10 HB2 TYR 10 -2.407 1.651 -3.379
67 HB3 TYR 10 HB3 TYR 10 -0.964 0.814 -3.958
68 HD1 TYR 10 HD1 TYR 10 -4.258 0.432 -2.464
69 HD2 TYR 10 HD2 TYR 10 -0.615 -1.548 -3.409
70 HE1 TYR 10 HE1 TYR 10 -5.373 -1.735 -2.202
71 HE2 TYR 10 HE2 TYR 10 -1.718 -3.710 -3.155
72 HH TYR 10 HH TYR 10 -5.049 -4.089 -3.027
73 H GLU 11 H GLU 11 -1.115 3.879 -2.198
74 HA GLU 11 HA GLU 11 1.190 4.298 -3.789
75 HB2 GLU 11 HB2 GLU 11 -0.948 5.672 -3.796
76 HB3 GLU 11 HB3 GLU 11 -0.371 6.419 -2.293
77 HG2 GLU 11 HG2 GLU 11 1.554 7.320 -3.449
78 HG3 GLU 11 HG3 GLU 11 1.060 6.503 -4.951
79 H GLN 12 H GLN 12 0.504 4.768 -0.336
80 HA GLN 12 HA GLN 12 2.993 6.073 0.164
81 HB2 GLN 12 HB2 GLN 12 0.935 4.851 2.006
82 HB3 GLN 12 HB3 GLN 12 2.381 5.663 2.582
83 HG2 GLN 12 HG2 GLN 12 0.618 7.078 0.665
84 HG3 GLN 12 HG3 GLN 12 0.103 6.924 2.339
85 HE21 GLN 12 HE21 GLN 12 3.473 7.116 1.532
86 HE22 GLN 12 HE22 GLN 12 3.724 8.720 2.137
87 H CYS 13 H CYS 13 2.028 2.801 -0.162
88 HA CYS 13 HA CYS 13 3.804 1.464 1.491
89 HB2 CYS 13 HB2 CYS 13 2.623 0.759 -1.190
90 HB3 CYS 13 HB3 CYS 13 3.769 -0.314 -0.389
91 H ASN 14 H ASN 14 4.391 2.448 -1.915
92 HA ASN 14 HA ASN 14 7.140 1.609 -1.710
93 HB2 ASN 14 HB2 ASN 14 7.348 2.511 -4.019
94 HB3 ASN 14 HB3 ASN 14 6.036 1.357 -3.841
95 HD21 ASN 14 HD21 ASN 14 6.822 4.750 -4.370
96 HD22 ASN 14 HD22 ASN 14 5.225 5.210 -4.862
97 H VAL 15 H VAL 15 5.366 4.571 -1.359
98 HA VAL 15 HA VAL 15 7.511 6.377 -1.490
99 HB VAL 15 HB VAL 15 4.934 6.549 0.083
100 HG11 VAL 15 HG11 VAL 15 6.615 7.987 1.114
101 HG12 VAL 15 HG12 VAL 15 5.396 8.957 0.285
102 HG13 VAL 15 HG13 VAL 15 6.978 8.708 -0.453
103 HG21 VAL 15 HG21 VAL 15 5.788 7.793 -2.536
104 HG22 VAL 15 HG22 VAL 15 4.264 8.110 -1.707
105 HG23 VAL 15 HG23 VAL 15 4.608 6.498 -2.333
106 H ASN 16 H ASN 16 6.265 4.348 1.148
107 HA ASN 16 HA ASN 16 8.215 5.420 3.003
108 HB2 ASN 16 HB2 ASN 16 6.508 2.915 3.227
109 HB3 ASN 16 HB3 ASN 16 7.458 3.641 4.524
110 HD21 ASN 16 HD21 ASN 16 6.718 6.372 3.675
111 HD22 ASN 16 HD22 ASN 16 5.083 6.575 4.211
112 H LYS 17 H LYS 17 7.738 1.968 2.350
113 HA LYS 17 HA LYS 17 9.727 1.480 0.542
114 HB2 LYS 17 HB2 LYS 17 11.145 2.363 2.555
115 HB3 LYS 17 HB3 LYS 17 10.852 0.753 3.224
116 HG2 LYS 17 HG2 LYS 17 11.944 -0.286 1.345
117 HG3 LYS 17 HG3 LYS 17 12.116 1.276 0.531
118 HD2 LYS 17 HD2 LYS 17 13.439 2.032 2.596
119 HD3 LYS 17 HD3 LYS 17 13.469 0.315 3.049
120 HE2 LYS 17 HE2 LYS 17 14.600 -0.251 0.983
121 HE3 LYS 17 HE3 LYS 17 14.495 1.421 0.432
122 HZ1 LYS 17 HZ1 LYS 17 15.893 2.067 2.309
123 HZ2 LYS 17 HZ2 LYS 17 16.676 0.948 1.311
124 HZ3 LYS 17 HZ3 LYS 17 16.021 0.450 2.788
125 H VAL 18 H VAL 18 7.898 -0.029 0.040
126 HA VAL 18 HA VAL 18 8.403 -2.582 1.357
127 HB VAL 18 HB VAL 18 6.363 -3.022 2.260
128 HG11 VAL 18 HG11 VAL 18 6.997 -0.894 3.306
129 HG12 VAL 18 HG12 VAL 18 5.252 -1.149 3.283
130 HG13 VAL 18 HG13 VAL 18 5.995 -0.032 2.138
131 HG21 VAL 18 HG21 VAL 18 4.193 -2.157 1.326
132 HG22 VAL 18 HG22 VAL 18 5.145 -3.185 0.250
133 HG23 VAL 18 HG23 VAL 18 5.142 -1.437 0.020
134 HA PRO 19 HA PRO 19 7.815 -4.114 -2.828
135 HB2 PRO 19 HB2 PRO 19 6.871 -6.601 -1.547
136 HB3 PRO 19 HB3 PRO 19 8.249 -6.357 -2.635
137 HG2 PRO 19 HG2 PRO 19 8.603 -6.859 -0.022
138 HG3 PRO 19 HG3 PRO 19 9.677 -5.774 -0.928
139 HD2 PRO 19 HD2 PRO 19 7.456 -5.079 0.969
140 HD3 PRO 19 HD3 PRO 19 9.050 -4.321 0.748
141 H PHE 20 H PHE 20 6.089 -4.389 -4.221
142 HA PHE 20 HA PHE 20 3.625 -3.332 -3.413
143 HB2 PHE 20 HB2 PHE 20 4.575 -3.314 -5.758
144 HB3 PHE 20 HB3 PHE 20 4.051 -4.988 -5.902
145 HD1 PHE 20 HD1 PHE 20 1.684 -5.550 -6.005
146 HD2 PHE 20 HD2 PHE 20 2.996 -1.511 -5.742
147 HE1 PHE 20 HE1 PHE 20 -0.557 -4.781 -6.681
148 HE2 PHE 20 HE2 PHE 20 0.761 -0.734 -6.417
149 HZ PHE 20 HZ PHE 20 -1.019 -2.370 -6.885
150 H ASP 21 H ASP 21 4.634 -6.692 -3.873
151 HA ASP 21 HA ASP 21 2.059 -7.812 -3.566
152 HB2 ASP 21 HB2 ASP 21 3.251 -9.930 -3.034
153 HB3 ASP 21 HB3 ASP 21 3.790 -9.173 -4.528
154 H GLN 22 H GLN 22 4.582 -7.005 -1.216
155 HA GLN 22 HA GLN 22 3.198 -7.939 1.062
156 HB2 GLN 22 HB2 GLN 22 5.571 -7.383 1.197
157 HB3 GLN 22 HB3 GLN 22 5.228 -5.699 0.815
158 HG2 GLN 22 HG2 GLN 22 3.853 -5.590 2.899
159 HG3 GLN 22 HG3 GLN 22 4.440 -7.211 3.292
160 HE21 GLN 22 HE21 GLN 22 4.804 -4.686 4.720
161 HE22 GLN 22 HE22 GLN 22 6.516 -4.468 4.857
162 H CYS 23 H CYS 23 3.107 -4.929 -0.764
163 HA CYS 23 HA CYS 23 1.477 -3.489 1.045
164 HB2 CYS 23 HB2 CYS 23 2.687 -2.493 -0.957
165 HB3 CYS 23 HB3 CYS 23 1.399 -3.164 -1.962
166 H TYR 24 H TYR 24 0.695 -5.588 -1.702
167 HA TYR 24 HA TYR 24 -2.089 -5.451 -1.527
168 HB2 TYR 24 HB2 TYR 24 -0.660 -6.673 -3.303
169 HB3 TYR 24 HB3 TYR 24 -0.609 -8.017 -2.151
170 HD1 TYR 24 HD1 TYR 24 -2.560 -6.294 -4.636
171 HD2 TYR 24 HD2 TYR 24 -2.760 -9.102 -1.452
172 HE1 TYR 24 HE1 TYR 24 -4.735 -7.070 -5.468
173 HE2 TYR 24 HE2 TYR 24 -4.934 -9.890 -2.273
174 HH TYR 24 HH TYR 24 -6.118 -9.215 -5.308
175 H GLN 25 H GLN 25 0.253 -7.243 0.369
176 HA GLN 25 HA GLN 25 -1.540 -8.988 1.666
177 HB2 GLN 25 HB2 GLN 25 0.859 -9.411 1.692
178 HB3 GLN 25 HB3 GLN 25 1.159 -7.870 2.486
179 HG2 GLN 25 HG2 GLN 25 -0.110 -8.720 4.462
180 HG3 GLN 25 HG3 GLN 25 -0.167 -10.296 3.673
181 HE21 GLN 25 HE21 GLN 25 1.102 -9.435 6.174
182 HE22 GLN 25 HE22 GLN 25 2.769 -9.880 6.023
183 H MET 26 H MET 26 -0.347 -5.755 2.472
184 HA MET 26 HA MET 26 -1.691 -5.780 5.024
185 HB2 MET 26 HB2 MET 26 0.468 -4.748 4.950
186 HB3 MET 26 HB3 MET 26 -0.001 -3.742 3.591
187 HG2 MET 26 HG2 MET 26 -1.590 -2.545 5.056
188 HG3 MET 26 HG3 MET 26 -1.030 -3.521 6.415
189 HE1 MET 26 HE1 MET 26 1.725 -0.569 4.149
190 HE2 MET 26 HE2 MET 26 0.069 -0.922 3.657
191 HE3 MET 26 HE3 MET 26 1.318 -2.158 3.510
192 H CYS 27 H CYS 27 -2.100 -4.099 1.912
193 HA CYS 27 HA CYS 27 -4.206 -2.457 3.034
194 HB2 CYS 27 HB2 CYS 27 -3.252 -2.643 0.159
195 HB3 CYS 27 HB3 CYS 27 -4.320 -1.400 0.837
196 H SER 28 H SER 28 -4.151 -5.551 1.578
197 HA SER 28 HA SER 28 -6.535 -5.427 0.122
198 HB2 SER 28 HB2 SER 28 -6.590 -7.959 0.450
199 HB3 SER 28 HB3 SER 28 -5.189 -7.266 -0.377
200 HG SER 28 HG SER 28 -3.943 -7.792 1.252
201 HA PRO 29 HA PRO 29 -8.873 -7.150 4.095
202 HB2 PRO 29 HB2 PRO 29 -7.248 -5.706 6.133
203 HB3 PRO 29 HB3 PRO 29 -8.078 -7.270 6.257
204 HG2 PRO 29 HG2 PRO 29 -5.442 -7.210 5.971
205 HG3 PRO 29 HG3 PRO 29 -6.416 -8.403 5.071
206 HD2 PRO 29 HD2 PRO 29 -5.175 -5.839 4.095
207 HD3 PRO 29 HD3 PRO 29 -5.292 -7.419 3.285
208 H LEU 30 H LEU 30 -7.287 -4.030 3.976
209 HA LEU 30 HA LEU 30 -9.388 -2.431 4.993
210 HB2 LEU 30 HB2 LEU 30 -6.924 -1.800 4.581
211 HB3 LEU 30 HB3 LEU 30 -7.372 -1.627 2.877
212 HG LEU 30 HG LEU 30 -8.362 0.052 5.210
213 HD11 LEU 30 HD11 LEU 30 -7.199 1.857 4.018
214 HD12 LEU 30 HD12 LEU 30 -6.646 0.698 2.807
215 HD13 LEU 30 HD13 LEU 30 -6.094 0.561 4.479
216 HD21 LEU 30 HD21 LEU 30 -10.155 -0.285 3.542
217 HD22 LEU 30 HD22 LEU 30 -9.074 0.315 2.281
218 HD23 LEU 30 HD23 LEU 30 -9.583 1.384 3.590
219 H GLU 31 H GLU 31 -8.318 -3.053 1.687
220 HA GLU 31 HA GLU 31 -10.430 -1.674 0.438
221 HB2 GLU 31 HB2 GLU 31 -8.171 -2.241 -0.553
222 HB3 GLU 31 HB3 GLU 31 -8.767 -3.894 -0.772
223 HG2 GLU 31 HG2 GLU 31 -10.111 -1.490 -2.003
224 HG3 GLU 31 HG3 GLU 31 -8.825 -2.395 -2.804
225 H ARG 32 H ARG 32 -9.972 -5.114 1.139
226 HA ARG 32 HA ARG 32 -12.846 -5.491 0.663
227 HB2 ARG 32 HB2 ARG 32 -11.413 -6.335 -1.280
228 HB3 ARG 32 HB3 ARG 32 -10.733 -7.510 -0.148
229 HG2 ARG 32 HG2 ARG 32 -12.454 -8.584 -1.465
230 HG3 ARG 32 HG3 ARG 32 -12.995 -8.450 0.209
231 HD2 ARG 32 HD2 ARG 32 -14.543 -7.818 -1.870
232 HD3 ARG 32 HD3 ARG 32 -14.684 -7.016 -0.310
233 HE ARG 32 HE ARG 32 -12.808 -5.663 -1.956
234 HH11 ARG 32 HH11 ARG 32 -16.252 -6.167 -1.581
235 HH12 ARG 32 HH12 ARG 32 -16.683 -4.652 -2.308
236 HH21 ARG 32 HH21 ARG 32 -13.353 -3.643 -2.863
237 HH22 ARG 32 HH22 ARG 32 -15.034 -3.219 -3.046
238 H SER 33 H SER 33 -13.809 -6.361 2.389
239 HA SER 33 HA SER 33 -12.082 -7.684 4.382
240 HB2 SER 33 HB2 SER 33 -14.667 -6.206 4.965
241 HB3 SER 33 HB3 SER 33 -13.467 -6.773 6.126
242 HG SER 33 HG SER 33 -12.002 -5.300 4.783
Start of MODEL 24
1 HA ALA 1 HA ALA 1 -15.046 -0.485 0.491
2 HB1 ALA 1 HB1 ALA 1 -15.791 0.582 -1.564
3 HB2 ALA 1 HB2 ALA 1 -17.243 1.167 -0.752
4 HB3 ALA 1 HB3 ALA 1 -17.003 -0.562 -0.987
5 H SER 2 H SER 2 -13.415 0.968 0.016
6 HA SER 2 HA SER 2 -13.764 3.799 0.470
7 HB2 SER 2 HB2 SER 2 -11.872 3.840 2.203
8 HB3 SER 2 HB3 SER 2 -13.406 3.192 2.784
9 HG SER 2 HG SER 2 -12.443 1.073 2.147
10 HA PRO 3 HA PRO 3 -10.834 2.156 -2.870
11 HB2 PRO 3 HB2 PRO 3 -12.055 4.581 -4.124
12 HB3 PRO 3 HB3 PRO 3 -11.651 3.010 -4.857
13 HG2 PRO 3 HG2 PRO 3 -14.163 3.564 -4.278
14 HG3 PRO 3 HG3 PRO 3 -13.499 1.958 -3.903
15 HD2 PRO 3 HD2 PRO 3 -14.042 4.249 -2.019
16 HD3 PRO 3 HD3 PRO 3 -14.278 2.490 -1.779
17 H GLN 4 H GLN 4 -11.386 5.509 -1.801
18 HA GLN 4 HA GLN 4 -8.959 6.513 -2.824
19 HB2 GLN 4 HB2 GLN 4 -10.921 7.922 -2.251
20 HB3 GLN 4 HB3 GLN 4 -10.616 7.607 -0.547
21 HG2 GLN 4 HG2 GLN 4 -9.616 9.666 -0.820
22 HG3 GLN 4 HG3 GLN 4 -8.256 8.573 -1.070
23 HE21 GLN 4 HE21 GLN 4 -9.329 7.816 -3.769
24 HE22 GLN 4 HE22 GLN 4 -8.936 9.157 -4.789
25 H GLN 5 H GLN 5 -9.865 5.245 0.341
26 HA GLN 5 HA GLN 5 -7.411 5.818 1.621
27 HB2 GLN 5 HB2 GLN 5 -9.515 3.745 2.206
28 HB3 GLN 5 HB3 GLN 5 -8.080 3.944 3.194
29 HG2 GLN 5 HG2 GLN 5 -10.104 6.119 2.689
30 HG3 GLN 5 HG3 GLN 5 -10.073 5.089 4.118
31 HE21 GLN 5 HE21 GLN 5 -7.131 5.057 4.213
32 HE22 GLN 5 HE22 GLN 5 -6.670 6.615 4.807
33 H ALA 6 H ALA 6 -8.587 3.050 -0.184
34 HA ALA 6 HA ALA 6 -6.371 1.370 0.222
35 HB1 ALA 6 HB1 ALA 6 -8.175 1.463 -2.190
36 HB2 ALA 6 HB2 ALA 6 -8.511 0.584 -0.699
37 HB3 ALA 6 HB3 ALA 6 -7.138 0.124 -1.706
38 H LYS 7 H LYS 7 -7.061 3.798 -2.253
39 HA LYS 7 HA LYS 7 -4.754 3.315 -3.812
40 HB2 LYS 7 HB2 LYS 7 -6.811 4.602 -4.529
41 HB3 LYS 7 HB3 LYS 7 -6.230 5.943 -3.552
42 HG2 LYS 7 HG2 LYS 7 -5.683 6.256 -5.902
43 HG3 LYS 7 HG3 LYS 7 -4.211 6.093 -4.907
44 HD2 LYS 7 HD2 LYS 7 -3.980 3.758 -5.587
45 HD3 LYS 7 HD3 LYS 7 -5.495 3.840 -6.492
46 HE2 LYS 7 HE2 LYS 7 -2.980 5.410 -7.087
47 HE3 LYS 7 HE3 LYS 7 -3.561 4.014 -7.992
48 HZ1 LYS 7 HZ1 LYS 7 -4.901 6.653 -7.754
49 HZ2 LYS 7 HZ2 LYS 7 -5.577 5.304 -8.511
50 HZ3 LYS 7 HZ3 LYS 7 -4.172 6.003 -9.134
51 H TYR 8 H TYR 8 -5.405 5.397 -1.060
52 HA TYR 8 HA TYR 8 -2.936 6.772 -1.013
53 HB2 TYR 8 HB2 TYR 8 -4.979 7.476 0.233
54 HB3 TYR 8 HB3 TYR 8 -4.774 6.084 1.295
55 HD1 TYR 8 HD1 TYR 8 -3.253 9.290 0.264
56 HD2 TYR 8 HD2 TYR 8 -3.307 6.160 3.143
57 HE1 TYR 8 HE1 TYR 8 -1.864 10.653 1.763
58 HE2 TYR 8 HE2 TYR 8 -1.911 7.510 4.648
59 HH TYR 8 HH TYR 8 -1.346 10.844 4.124
60 H CYS 9 H CYS 9 -4.060 3.782 0.490
61 HA CYS 9 HA CYS 9 -1.797 3.204 2.041
62 HB2 CYS 9 HB2 CYS 9 -4.003 2.039 2.217
63 HB3 CYS 9 HB3 CYS 9 -3.657 1.211 0.694
64 H TYR 10 H TYR 10 -2.630 2.174 -1.265
65 HA TYR 10 HA TYR 10 -0.256 0.706 -1.705
66 HB2 TYR 10 HB2 TYR 10 -2.333 1.869 -3.559
67 HB3 TYR 10 HB3 TYR 10 -0.880 1.085 -4.185
68 HD1 TYR 10 HD1 TYR 10 -4.169 0.580 -2.769
69 HD2 TYR 10 HD2 TYR 10 -0.450 -1.301 -3.616
70 HE1 TYR 10 HE1 TYR 10 -5.240 -1.615 -2.577
71 HE2 TYR 10 HE2 TYR 10 -1.513 -3.495 -3.421
72 HH TYR 10 HH TYR 10 -3.462 -4.527 -2.404
73 H GLU 11 H GLU 11 -1.102 4.089 -2.330
74 HA GLU 11 HA GLU 11 1.157 4.696 -3.887
75 HB2 GLU 11 HB2 GLU 11 -0.858 6.143 -3.776
76 HB3 GLU 11 HB3 GLU 11 -0.431 6.577 -2.106
77 HG2 GLU 11 HG2 GLU 11 1.740 7.468 -3.005
78 HG3 GLU 11 HG3 GLU 11 1.074 7.224 -4.637
79 H GLN 12 H GLN 12 0.586 4.905 -0.379
80 HA GLN 12 HA GLN 12 3.090 6.159 0.133
81 HB2 GLN 12 HB2 GLN 12 1.098 4.795 1.951
82 HB3 GLN 12 HB3 GLN 12 2.547 5.594 2.535
83 HG2 GLN 12 HG2 GLN 12 0.650 7.075 0.792
84 HG3 GLN 12 HG3 GLN 12 0.274 6.837 2.491
85 HE21 GLN 12 HE21 GLN 12 3.547 7.179 1.350
86 HE22 GLN 12 HE22 GLN 12 3.825 8.742 2.036
87 H CYS 13 H CYS 13 2.145 2.927 -0.425
88 HA CYS 13 HA CYS 13 3.907 1.525 1.192
89 HB2 CYS 13 HB2 CYS 13 2.617 0.886 -1.445
90 HB3 CYS 13 HB3 CYS 13 3.834 -0.202 -0.768
91 H ASN 14 H ASN 14 4.518 2.503 -2.225
92 HA ASN 14 HA ASN 14 7.247 1.642 -2.009
93 HB2 ASN 14 HB2 ASN 14 7.520 2.636 -4.259
94 HB3 ASN 14 HB3 ASN 14 6.127 1.570 -4.169
95 HD21 ASN 14 HD21 ASN 14 7.151 4.938 -4.405
96 HD22 ASN 14 HD22 ASN 14 5.612 5.541 -4.918
97 H VAL 15 H VAL 15 5.535 4.594 -1.459
98 HA VAL 15 HA VAL 15 7.725 6.368 -1.546
99 HB VAL 15 HB VAL 15 5.119 6.583 -0.025
100 HG11 VAL 15 HG11 VAL 15 7.170 8.728 -0.592
101 HG12 VAL 15 HG12 VAL 15 6.849 8.002 0.981
102 HG13 VAL 15 HG13 VAL 15 5.606 8.968 0.186
103 HG21 VAL 15 HG21 VAL 15 6.015 7.766 -2.658
104 HG22 VAL 15 HG22 VAL 15 4.497 8.139 -1.845
105 HG23 VAL 15 HG23 VAL 15 4.799 6.508 -2.435
106 H ASN 16 H ASN 16 6.362 4.335 1.014
107 HA ASN 16 HA ASN 16 8.244 5.419 2.958
108 HB2 ASN 16 HB2 ASN 16 6.297 3.106 3.246
109 HB3 ASN 16 HB3 ASN 16 7.201 3.881 4.551
110 HD21 ASN 16 HD21 ASN 16 6.799 6.559 3.429
111 HD22 ASN 16 HD22 ASN 16 5.148 6.958 3.766
112 H LYS 17 H LYS 17 7.468 1.993 2.425
113 HA LYS 17 HA LYS 17 9.673 1.204 0.998
114 HB2 LYS 17 HB2 LYS 17 10.977 2.002 2.991
115 HB3 LYS 17 HB3 LYS 17 10.171 0.746 3.945
116 HG2 LYS 17 HG2 LYS 17 11.114 -0.967 2.442
117 HG3 LYS 17 HG3 LYS 17 11.968 0.302 1.560
118 HD2 LYS 17 HD2 LYS 17 13.252 0.894 3.495
119 HD3 LYS 17 HD3 LYS 17 12.312 -0.204 4.530
120 HE2 LYS 17 HE2 LYS 17 14.092 -1.001 2.214
121 HE3 LYS 17 HE3 LYS 17 14.485 -1.169 3.923
122 HZ1 LYS 17 HZ1 LYS 17 12.611 -2.691 4.154
123 HZ2 LYS 17 HZ2 LYS 17 13.709 -3.254 3.004
124 HZ3 LYS 17 HZ3 LYS 17 12.259 -2.542 2.509
125 H VAL 18 H VAL 18 7.805 -0.105 0.246
126 HA VAL 18 HA VAL 18 7.934 -2.692 1.463
127 HB VAL 18 HB VAL 18 6.286 -2.158 2.984
128 HG11 VAL 18 HG11 VAL 18 5.859 0.102 2.259
129 HG12 VAL 18 HG12 VAL 18 4.330 -0.745 2.507
130 HG13 VAL 18 HG13 VAL 18 4.941 -0.486 0.873
131 HG21 VAL 18 HG21 VAL 18 5.520 -4.094 1.791
132 HG22 VAL 18 HG22 VAL 18 4.797 -3.096 0.534
133 HG23 VAL 18 HG23 VAL 18 4.120 -3.086 2.164
134 HA PRO 19 HA PRO 19 7.589 -3.661 -2.860
135 HB2 PRO 19 HB2 PRO 19 6.989 -6.355 -1.771
136 HB3 PRO 19 HB3 PRO 19 8.228 -5.865 -2.942
137 HG2 PRO 19 HG2 PRO 19 8.894 -6.491 -0.434
138 HG3 PRO 19 HG3 PRO 19 9.703 -5.174 -1.305
139 HD2 PRO 19 HD2 PRO 19 7.609 -5.019 0.832
140 HD3 PRO 19 HD3 PRO 19 9.014 -3.969 0.529
141 H PHE 20 H PHE 20 5.944 -4.205 -4.362
142 HA PHE 20 HA PHE 20 3.413 -3.342 -3.639
143 HB2 PHE 20 HB2 PHE 20 4.300 -3.399 -5.971
144 HB3 PHE 20 HB3 PHE 20 4.009 -5.134 -5.997
145 HD1 PHE 20 HD1 PHE 20 2.443 -1.826 -5.943
146 HD2 PHE 20 HD2 PHE 20 1.782 -6.024 -6.180
147 HE1 PHE 20 HE1 PHE 20 0.124 -1.416 -6.655
148 HE2 PHE 20 HE2 PHE 20 -0.536 -5.619 -6.897
149 HZ PHE 20 HZ PHE 20 -1.367 -3.318 -7.135
150 H ASP 21 H ASP 21 4.524 -6.708 -4.008
151 HA ASP 21 HA ASP 21 1.960 -7.861 -3.698
152 HB2 ASP 21 HB2 ASP 21 3.135 -9.980 -3.344
153 HB3 ASP 21 HB3 ASP 21 3.801 -9.108 -4.722
154 H GLN 22 H GLN 22 4.562 -7.213 -1.368
155 HA GLN 22 HA GLN 22 3.158 -8.266 0.862
156 HB2 GLN 22 HB2 GLN 22 5.608 -7.908 0.821
157 HB3 GLN 22 HB3 GLN 22 5.337 -6.169 0.822
158 HG2 GLN 22 HG2 GLN 22 5.869 -6.889 3.040
159 HG3 GLN 22 HG3 GLN 22 4.169 -6.395 2.988
160 HE21 GLN 22 HE21 GLN 22 6.379 -9.063 3.275
161 HE22 GLN 22 HE22 GLN 22 5.218 -10.218 3.832
162 H CYS 23 H CYS 23 3.341 -5.097 -0.659
163 HA CYS 23 HA CYS 23 1.812 -3.617 1.178
164 HB2 CYS 23 HB2 CYS 23 2.988 -2.571 -0.744
165 HB3 CYS 23 HB3 CYS 23 1.853 -3.349 -1.846
166 H TYR 24 H TYR 24 0.849 -5.651 -1.535
167 HA TYR 24 HA TYR 24 -1.899 -5.272 -1.464
168 HB2 TYR 24 HB2 TYR 24 -0.640 -6.611 -3.189
169 HB3 TYR 24 HB3 TYR 24 -0.497 -7.911 -1.995
170 HD1 TYR 24 HD1 TYR 24 -2.445 -9.215 -1.339
171 HD2 TYR 24 HD2 TYR 24 -2.743 -6.146 -4.264
172 HE1 TYR 24 HE1 TYR 24 -4.626 -10.093 -2.031
173 HE2 TYR 24 HE2 TYR 24 -4.928 -7.017 -4.966
174 HH TYR 24 HH TYR 24 -6.657 -9.317 -3.145
175 H GLN 25 H GLN 25 0.175 -7.167 0.638
176 HA GLN 25 HA GLN 25 -1.957 -8.714 1.759
177 HB2 GLN 25 HB2 GLN 25 0.921 -8.278 2.571
178 HB3 GLN 25 HB3 GLN 25 -0.186 -9.221 3.561
179 HG2 GLN 25 HG2 GLN 25 0.223 -9.900 0.658
180 HG3 GLN 25 HG3 GLN 25 1.346 -10.460 1.890
181 HE21 GLN 25 HE21 GLN 25 -2.055 -10.103 2.586
182 HE22 GLN 25 HE22 GLN 25 -2.417 -11.789 2.647
183 H MET 26 H MET 26 -0.552 -5.616 2.449
184 HA MET 26 HA MET 26 -1.920 -5.454 5.006
185 HB2 MET 26 HB2 MET 26 0.282 -4.475 4.926
186 HB3 MET 26 HB3 MET 26 -0.150 -3.519 3.517
187 HG2 MET 26 HG2 MET 26 -1.769 -2.259 4.898
188 HG3 MET 26 HG3 MET 26 -1.242 -3.178 6.308
189 HE1 MET 26 HE1 MET 26 -0.142 -0.604 3.531
190 HE2 MET 26 HE2 MET 26 1.071 -1.872 3.359
191 HE3 MET 26 HE3 MET 26 1.529 -0.291 3.989
192 H CYS 27 H CYS 27 -2.047 -3.842 1.826
193 HA CYS 27 HA CYS 27 -4.195 -2.133 2.674
194 HB2 CYS 27 HB2 CYS 27 -3.188 -2.588 -0.151
195 HB3 CYS 27 HB3 CYS 27 -4.150 -1.220 0.440
196 H SER 28 H SER 28 -4.069 -5.256 1.073
197 HA SER 28 HA SER 28 -6.572 -5.116 -0.193
198 HB2 SER 28 HB2 SER 28 -4.907 -6.915 -0.653
199 HB3 SER 28 HB3 SER 28 -5.356 -7.658 0.891
200 HG SER 28 HG SER 28 -7.416 -7.026 -0.878
201 HA PRO 29 HA PRO 29 -8.445 -7.011 4.005
202 HB2 PRO 29 HB2 PRO 29 -6.515 -5.522 5.732
203 HB3 PRO 29 HB3 PRO 29 -7.382 -7.037 6.063
204 HG2 PRO 29 HG2 PRO 29 -4.829 -7.137 5.380
205 HG3 PRO 29 HG3 PRO 29 -5.982 -8.296 4.666
206 HD2 PRO 29 HD2 PRO 29 -4.750 -5.842 3.444
207 HD3 PRO 29 HD3 PRO 29 -5.109 -7.419 2.703
208 H LEU 30 H LEU 30 -6.928 -3.862 3.686
209 HA LEU 30 HA LEU 30 -8.934 -2.332 4.988
210 HB2 LEU 30 HB2 LEU 30 -6.533 -1.647 4.378
211 HB3 LEU 30 HB3 LEU 30 -7.134 -1.418 2.729
212 HG LEU 30 HG LEU 30 -7.996 0.143 5.191
213 HD11 LEU 30 HD11 LEU 30 -6.867 2.009 4.038
214 HD12 LEU 30 HD12 LEU 30 -6.326 0.887 2.788
215 HD13 LEU 30 HD13 LEU 30 -5.755 0.701 4.447
216 HD21 LEU 30 HD21 LEU 30 -9.242 1.568 3.661
217 HD22 LEU 30 HD22 LEU 30 -9.835 -0.094 3.562
218 HD23 LEU 30 HD23 LEU 30 -8.783 0.545 2.298
219 H GLU 31 H GLU 31 -8.307 -3.214 1.650
220 HA GLU 31 HA GLU 31 -10.506 -1.701 0.606
221 HB2 GLU 31 HB2 GLU 31 -8.275 -2.196 -0.542
222 HB3 GLU 31 HB3 GLU 31 -8.906 -3.822 -0.833
223 HG2 GLU 31 HG2 GLU 31 -10.346 -1.354 -1.792
224 HG3 GLU 31 HG3 GLU 31 -9.072 -2.139 -2.735
225 H ARG 32 H ARG 32 -9.819 -5.187 0.252
226 HA ARG 32 HA ARG 32 -12.457 -5.918 1.172
227 HB2 ARG 32 HB2 ARG 32 -11.705 -6.073 -1.740
228 HB3 ARG 32 HB3 ARG 32 -12.824 -7.247 -1.055
229 HG2 ARG 32 HG2 ARG 32 -13.231 -4.238 -1.030
230 HG3 ARG 32 HG3 ARG 32 -13.930 -5.326 -2.228
231 HD2 ARG 32 HD2 ARG 32 -15.578 -4.779 -0.555
232 HD3 ARG 32 HD3 ARG 32 -15.164 -6.480 -0.408
233 HE ARG 32 HE ARG 32 -13.788 -4.570 1.336
234 HH11 ARG 32 HH11 ARG 32 -16.208 -7.072 0.952
235 HH12 ARG 32 HH12 ARG 32 -16.366 -7.363 2.653
236 HH21 ARG 32 HH21 ARG 32 -14.001 -4.944 3.582
237 HH22 ARG 32 HH22 ARG 32 -15.110 -6.152 4.150
238 H SER 33 H SER 33 -11.787 -7.468 2.548
239 HA SER 33 HA SER 33 -10.824 -9.924 1.362
240 HB2 SER 33 HB2 SER 33 -9.228 -8.604 3.580
241 HB3 SER 33 HB3 SER 33 -8.983 -10.246 2.998
242 HG SER 33 HG SER 33 -8.972 -8.369 0.997
Start of MODEL 25
1 HA ALA 1 HA ALA 1 -16.048 1.974 2.453
2 HB1 ALA 1 HB1 ALA 1 -17.965 1.422 1.051
3 HB2 ALA 1 HB2 ALA 1 -16.629 2.029 0.074
4 HB3 ALA 1 HB3 ALA 1 -18.003 3.074 0.436
5 H SER 2 H SER 2 -14.290 2.762 1.241
6 HA SER 2 HA SER 2 -14.119 5.516 0.448
7 HB2 SER 2 HB2 SER 2 -13.859 5.529 3.029
8 HB3 SER 2 HB3 SER 2 -12.310 4.733 2.746
9 HG SER 2 HG SER 2 -11.823 6.852 2.741
10 HA PRO 3 HA PRO 3 -11.407 2.293 -1.689
11 HB2 PRO 3 HB2 PRO 3 -12.229 4.143 -3.885
12 HB3 PRO 3 HB3 PRO 3 -12.046 2.375 -3.909
13 HG2 PRO 3 HG2 PRO 3 -14.459 3.424 -3.809
14 HG3 PRO 3 HG3 PRO 3 -14.058 2.038 -2.773
15 HD2 PRO 3 HD2 PRO 3 -14.277 4.950 -2.012
16 HD3 PRO 3 HD3 PRO 3 -14.816 3.493 -1.120
17 H GLN 4 H GLN 4 -11.472 5.759 -1.454
18 HA GLN 4 HA GLN 4 -9.012 6.312 -2.738
19 HB2 GLN 4 HB2 GLN 4 -10.475 7.837 -0.579
20 HB3 GLN 4 HB3 GLN 4 -9.050 8.438 -1.412
21 HG2 GLN 4 HG2 GLN 4 -10.320 8.272 -3.564
22 HG3 GLN 4 HG3 GLN 4 -11.754 7.860 -2.627
23 HE21 GLN 4 HE21 GLN 4 -10.941 9.670 -0.432
24 HE22 GLN 4 HE22 GLN 4 -11.285 11.268 -1.006
25 H GLN 5 H GLN 5 -9.850 5.237 0.466
26 HA GLN 5 HA GLN 5 -7.356 5.721 1.704
27 HB2 GLN 5 HB2 GLN 5 -9.506 3.692 2.299
28 HB3 GLN 5 HB3 GLN 5 -8.044 3.826 3.259
29 HG2 GLN 5 HG2 GLN 5 -8.648 6.184 3.765
30 HG3 GLN 5 HG3 GLN 5 -10.168 5.933 2.904
31 HE21 GLN 5 HE21 GLN 5 -11.369 6.345 4.836
32 HE22 GLN 5 HE22 GLN 5 -11.461 5.163 6.096
33 H ALA 6 H ALA 6 -8.610 3.078 -0.197
34 HA ALA 6 HA ALA 6 -6.457 1.296 0.137
35 HB1 ALA 6 HB1 ALA 6 -8.306 1.569 -2.233
36 HB2 ALA 6 HB2 ALA 6 -8.609 0.592 -0.796
37 HB3 ALA 6 HB3 ALA 6 -7.273 0.185 -1.874
38 H LYS 7 H LYS 7 -7.086 3.857 -2.219
39 HA LYS 7 HA LYS 7 -4.777 3.340 -3.781
40 HB2 LYS 7 HB2 LYS 7 -6.728 4.611 -4.636
41 HB3 LYS 7 HB3 LYS 7 -6.330 5.924 -3.537
42 HG2 LYS 7 HG2 LYS 7 -5.560 6.414 -5.784
43 HG3 LYS 7 HG3 LYS 7 -4.186 6.244 -4.662
44 HD2 LYS 7 HD2 LYS 7 -3.903 3.892 -5.448
45 HD3 LYS 7 HD3 LYS 7 -5.187 4.158 -6.631
46 HE2 LYS 7 HE2 LYS 7 -3.000 4.407 -7.688
47 HE3 LYS 7 HE3 LYS 7 -3.839 5.957 -7.650
48 HZ1 LYS 7 HZ1 LYS 7 -1.705 5.092 -5.774
49 HZ2 LYS 7 HZ2 LYS 7 -2.512 6.579 -5.718
50 HZ3 LYS 7 HZ3 LYS 7 -1.527 6.201 -7.039
51 H TYR 8 H TYR 8 -5.422 5.412 -1.012
52 HA TYR 8 HA TYR 8 -2.921 6.724 -0.954
53 HB2 TYR 8 HB2 TYR 8 -4.898 7.471 0.353
54 HB3 TYR 8 HB3 TYR 8 -4.743 6.036 1.367
55 HD1 TYR 8 HD1 TYR 8 -3.092 9.202 0.418
56 HD2 TYR 8 HD2 TYR 8 -3.219 5.963 3.171
57 HE1 TYR 8 HE1 TYR 8 -1.573 10.424 1.916
58 HE2 TYR 8 HE2 TYR 8 -1.700 7.170 4.676
59 HH TYR 8 HH TYR 8 0.014 8.952 4.513
60 H CYS 9 H CYS 9 -4.091 3.726 0.509
61 HA CYS 9 HA CYS 9 -1.757 3.070 1.935
62 HB2 CYS 9 HB2 CYS 9 -3.961 1.944 2.233
63 HB3 CYS 9 HB3 CYS 9 -3.754 1.163 0.660
64 H TYR 10 H TYR 10 -2.803 2.205 -1.347
65 HA TYR 10 HA TYR 10 -0.445 0.740 -1.970
66 HB2 TYR 10 HB2 TYR 10 -2.715 1.844 -3.617
67 HB3 TYR 10 HB3 TYR 10 -1.287 1.155 -4.395
68 HD1 TYR 10 HD1 TYR 10 -0.652 -1.220 -3.827
69 HD2 TYR 10 HD2 TYR 10 -4.438 0.438 -2.830
70 HE1 TYR 10 HE1 TYR 10 -1.576 -3.475 -3.617
71 HE2 TYR 10 HE2 TYR 10 -5.375 -1.820 -2.616
72 HH TYR 10 HH TYR 10 -3.431 -4.615 -2.499
73 H GLU 11 H GLU 11 -1.158 4.134 -2.002
74 HA GLU 11 HA GLU 11 0.960 4.707 -3.866
75 HB2 GLU 11 HB2 GLU 11 0.327 6.942 -3.780
76 HB3 GLU 11 HB3 GLU 11 -1.202 6.098 -3.484
77 HG2 GLU 11 HG2 GLU 11 -1.037 6.559 -1.131
78 HG3 GLU 11 HG3 GLU 11 0.574 7.277 -1.359
79 H GLN 12 H GLN 12 0.496 4.985 -0.341
80 HA GLN 12 HA GLN 12 3.087 6.168 -0.018
81 HB2 GLN 12 HB2 GLN 12 1.113 5.151 2.033
82 HB3 GLN 12 HB3 GLN 12 2.580 6.035 2.411
83 HG2 GLN 12 HG2 GLN 12 0.575 7.203 0.552
84 HG3 GLN 12 HG3 GLN 12 0.310 7.259 2.284
85 HE21 GLN 12 HE21 GLN 12 3.506 7.427 0.898
86 HE22 GLN 12 HE22 GLN 12 3.787 9.088 1.286
87 H CYS 13 H CYS 13 1.842 2.927 0.012
88 HA CYS 13 HA CYS 13 3.592 1.735 1.826
89 HB2 CYS 13 HB2 CYS 13 3.074 -0.386 0.719
90 HB3 CYS 13 HB3 CYS 13 1.609 0.589 0.864
91 H ASN 14 H ASN 14 3.993 2.088 -1.705
92 HA ASN 14 HA ASN 14 6.651 1.034 -1.678
93 HB2 ASN 14 HB2 ASN 14 6.786 1.959 -4.002
94 HB3 ASN 14 HB3 ASN 14 5.407 0.904 -3.737
95 HD21 ASN 14 HD21 ASN 14 3.289 1.849 -3.692
96 HD22 ASN 14 HD22 ASN 14 3.016 3.443 -4.302
97 H VAL 15 H VAL 15 5.300 4.211 -1.269
98 HA VAL 15 HA VAL 15 7.673 5.685 -1.728
99 HB VAL 15 HB VAL 15 5.190 6.396 -0.154
100 HG11 VAL 15 HG11 VAL 15 7.448 8.209 -1.014
101 HG12 VAL 15 HG12 VAL 15 7.117 7.701 0.642
102 HG13 VAL 15 HG13 VAL 15 5.957 8.713 -0.219
103 HG21 VAL 15 HG21 VAL 15 4.786 6.092 -2.533
104 HG22 VAL 15 HG22 VAL 15 6.124 7.172 -2.920
105 HG23 VAL 15 HG23 VAL 15 4.686 7.802 -2.118
106 H ASN 16 H ASN 16 6.230 4.182 1.127
107 HA ASN 16 HA ASN 16 8.168 5.273 2.938
108 HB2 ASN 16 HB2 ASN 16 6.449 2.789 3.280
109 HB3 ASN 16 HB3 ASN 16 7.292 3.666 4.560
110 HD21 ASN 16 HD21 ASN 16 6.597 6.286 3.474
111 HD22 ASN 16 HD22 ASN 16 4.916 6.505 3.833
112 H LYS 17 H LYS 17 7.649 1.802 2.413
113 HA LYS 17 HA LYS 17 9.830 1.214 0.878
114 HB2 LYS 17 HB2 LYS 17 11.480 0.261 2.433
115 HB3 LYS 17 HB3 LYS 17 11.286 2.001 2.672
116 HG2 LYS 17 HG2 LYS 17 9.875 -0.028 4.393
117 HG3 LYS 17 HG3 LYS 17 11.514 0.522 4.743
118 HD2 LYS 17 HD2 LYS 17 10.722 2.836 4.903
119 HD3 LYS 17 HD3 LYS 17 9.063 2.319 4.526
120 HE2 LYS 17 HE2 LYS 17 10.692 1.445 6.924
121 HE3 LYS 17 HE3 LYS 17 9.425 2.668 6.942
122 HZ1 LYS 17 HZ1 LYS 17 7.820 1.001 6.319
123 HZ2 LYS 17 HZ2 LYS 17 8.643 0.496 7.705
124 HZ3 LYS 17 HZ3 LYS 17 9.024 -0.180 6.205
125 H VAL 18 H VAL 18 8.079 -0.192 0.096
126 HA VAL 18 HA VAL 18 8.229 -2.777 1.426
127 HB VAL 18 HB VAL 18 6.009 -3.171 1.892
128 HG11 VAL 18 HG11 VAL 18 6.014 -0.172 2.183
129 HG12 VAL 18 HG12 VAL 18 6.689 -1.323 3.335
130 HG13 VAL 18 HG13 VAL 18 4.955 -1.312 3.016
131 HG21 VAL 18 HG21 VAL 18 5.231 -2.795 -0.374
132 HG22 VAL 18 HG22 VAL 18 5.171 -1.054 -0.080
133 HG23 VAL 18 HG23 VAL 18 4.098 -2.139 0.812
134 HA PRO 19 HA PRO 19 7.970 -4.127 -2.842
135 HB2 PRO 19 HB2 PRO 19 7.375 -6.743 -2.388
136 HB3 PRO 19 HB3 PRO 19 9.009 -6.080 -2.190
137 HG2 PRO 19 HG2 PRO 19 6.945 -6.720 -0.132
138 HG3 PRO 19 HG3 PRO 19 8.705 -6.929 -0.067
139 HD2 PRO 19 HD2 PRO 19 7.374 -4.850 1.130
140 HD3 PRO 19 HD3 PRO 19 9.064 -4.760 0.597
141 H PHE 20 H PHE 20 6.311 -4.781 -4.367
142 HA PHE 20 HA PHE 20 3.803 -3.733 -3.808
143 HB2 PHE 20 HB2 PHE 20 4.659 -4.093 -6.106
144 HB3 PHE 20 HB3 PHE 20 4.400 -5.823 -5.913
145 HD1 PHE 20 HD1 PHE 20 2.226 -6.778 -6.096
146 HD2 PHE 20 HD2 PHE 20 2.737 -2.556 -6.176
147 HE1 PHE 20 HE1 PHE 20 -0.097 -6.517 -6.858
148 HE2 PHE 20 HE2 PHE 20 0.413 -2.286 -6.936
149 HZ PHE 20 HZ PHE 20 -1.008 -4.268 -7.277
150 H ASP 21 H ASP 21 4.847 -7.115 -3.668
151 HA ASP 21 HA ASP 21 2.350 -8.274 -3.170
152 HB2 ASP 21 HB2 ASP 21 3.628 -10.146 -2.140
153 HB3 ASP 21 HB3 ASP 21 4.244 -9.674 -3.720
154 H GLN 22 H GLN 22 4.739 -6.944 -0.883
155 HA GLN 22 HA GLN 22 3.222 -7.511 1.433
156 HB2 GLN 22 HB2 GLN 22 5.612 -6.944 1.541
157 HB3 GLN 22 HB3 GLN 22 5.253 -5.313 0.982
158 HG2 GLN 22 HG2 GLN 22 3.863 -4.977 3.003
159 HG3 GLN 22 HG3 GLN 22 4.373 -6.574 3.568
160 HE21 GLN 22 HE21 GLN 22 4.779 -3.933 4.759
161 HE22 GLN 22 HE22 GLN 22 6.495 -3.761 4.946
162 H CYS 23 H CYS 23 3.312 -4.779 -0.793
163 HA CYS 23 HA CYS 23 1.610 -3.061 0.659
164 HB2 CYS 23 HB2 CYS 23 2.945 -2.409 -1.413
165 HB3 CYS 23 HB3 CYS 23 1.712 -3.239 -2.365
166 H TYR 24 H TYR 24 0.925 -5.569 -1.745
167 HA TYR 24 HA TYR 24 -1.869 -5.286 -1.729
168 HB2 TYR 24 HB2 TYR 24 -0.424 -6.686 -3.346
169 HB3 TYR 24 HB3 TYR 24 -0.469 -7.942 -2.096
170 HD1 TYR 24 HD1 TYR 24 -2.634 -8.976 -1.466
171 HD2 TYR 24 HD2 TYR 24 -2.316 -6.241 -4.704
172 HE1 TYR 24 HE1 TYR 24 -4.820 -9.717 -2.299
173 HE2 TYR 24 HE2 TYR 24 -4.503 -6.972 -5.547
174 HH TYR 24 HH TYR 24 -6.678 -8.713 -3.727
175 H GLN 25 H GLN 25 0.325 -6.991 0.422
176 HA GLN 25 HA GLN 25 -1.652 -8.597 1.692
177 HB2 GLN 25 HB2 GLN 25 1.120 -7.728 2.544
178 HB3 GLN 25 HB3 GLN 25 0.107 -8.731 3.566
179 HG2 GLN 25 HG2 GLN 25 0.110 -10.508 1.914
180 HG3 GLN 25 HG3 GLN 25 0.993 -9.500 0.772
181 HE21 GLN 25 HE21 GLN 25 3.165 -9.198 1.031
182 HE22 GLN 25 HE22 GLN 25 4.119 -10.099 2.158
183 H MET 26 H MET 26 -0.301 -5.414 2.392
184 HA MET 26 HA MET 26 -1.709 -5.233 4.899
185 HB2 MET 26 HB2 MET 26 0.431 -4.171 4.783
186 HB3 MET 26 HB3 MET 26 -0.015 -3.307 3.321
187 HG2 MET 26 HG2 MET 26 -1.639 -1.981 4.610
188 HG3 MET 26 HG3 MET 26 -1.142 -2.826 6.077
189 HE1 MET 26 HE1 MET 26 1.354 -1.749 3.170
190 HE2 MET 26 HE2 MET 26 1.715 -0.099 3.665
191 HE3 MET 26 HE3 MET 26 0.088 -0.521 3.133
192 H CYS 27 H CYS 27 -2.093 -3.890 1.646
193 HA CYS 27 HA CYS 27 -4.227 -2.154 2.532
194 HB2 CYS 27 HB2 CYS 27 -3.328 -2.692 -0.316
195 HB3 CYS 27 HB3 CYS 27 -4.270 -1.309 0.281
196 H SER 28 H SER 28 -4.098 -5.401 1.363
197 HA SER 28 HA SER 28 -6.509 -5.427 -0.065
198 HB2 SER 28 HB2 SER 28 -6.486 -7.950 0.439
199 HB3 SER 28 HB3 SER 28 -5.161 -7.263 -0.510
200 HG SER 28 HG SER 28 -3.804 -7.574 1.111
201 HA PRO 29 HA PRO 29 -8.791 -6.920 3.993
202 HB2 PRO 29 HB2 PRO 29 -7.079 -5.558 6.012
203 HB3 PRO 29 HB3 PRO 29 -7.942 -7.105 6.126
204 HG2 PRO 29 HG2 PRO 29 -5.310 -7.104 5.799
205 HG3 PRO 29 HG3 PRO 29 -6.323 -8.252 4.886
206 HD2 PRO 29 HD2 PRO 29 -5.076 -5.669 3.954
207 HD3 PRO 29 HD3 PRO 29 -5.173 -7.242 3.121
208 H LEU 30 H LEU 30 -7.182 -3.909 3.484
209 HA LEU 30 HA LEU 30 -9.109 -2.218 4.758
210 HB2 LEU 30 HB2 LEU 30 -6.669 -1.658 4.213
211 HB3 LEU 30 HB3 LEU 30 -7.194 -1.484 2.529
212 HG LEU 30 HG LEU 30 -8.152 0.212 4.862
213 HD11 LEU 30 HD11 LEU 30 -6.831 1.982 3.765
214 HD12 LEU 30 HD12 LEU 30 -6.222 0.787 2.618
215 HD13 LEU 30 HD13 LEU 30 -5.830 0.644 4.332
216 HD21 LEU 30 HD21 LEU 30 -9.825 -0.030 3.044
217 HD22 LEU 30 HD22 LEU 30 -8.626 0.574 1.896
218 HD23 LEU 30 HD23 LEU 30 -9.207 1.617 3.195
219 H GLU 31 H GLU 31 -8.328 -2.989 1.404
220 HA GLU 31 HA GLU 31 -10.549 -1.620 0.283
221 HB2 GLU 31 HB2 GLU 31 -8.341 -2.267 -0.854
222 HB3 GLU 31 HB3 GLU 31 -9.029 -3.888 -1.014
223 HG2 GLU 31 HG2 GLU 31 -10.291 -1.398 -2.175
224 HG3 GLU 31 HG3 GLU 31 -9.193 -2.462 -3.060
225 H ARG 32 H ARG 32 -9.945 -5.008 1.095
226 HA ARG 32 HA ARG 32 -12.825 -5.493 0.885
227 HB2 ARG 32 HB2 ARG 32 -11.537 -6.208 -1.232
228 HB3 ARG 32 HB3 ARG 32 -10.781 -7.438 -0.214
229 HG2 ARG 32 HG2 ARG 32 -12.588 -8.473 -1.402
230 HG3 ARG 32 HG3 ARG 32 -13.052 -8.342 0.294
231 HD2 ARG 32 HD2 ARG 32 -14.735 -7.709 -1.605
232 HD3 ARG 32 HD3 ARG 32 -14.670 -6.758 -0.129
233 HE ARG 32 HE ARG 32 -12.936 -5.463 -1.763
234 HH11 ARG 32 HH11 ARG 32 -16.226 -6.568 -2.209
235 HH12 ARG 32 HH12 ARG 32 -16.655 -5.261 -3.265
236 HH21 ARG 32 HH21 ARG 32 -13.496 -3.725 -3.130
237 HH22 ARG 32 HH22 ARG 32 -15.105 -3.652 -3.797
238 H SER 33 H SER 33 -13.218 -5.842 2.997
239 HA SER 33 HA SER 33 -11.526 -7.783 4.416
240 HB2 SER 33 HB2 SER 33 -12.842 -6.796 6.454
241 HB3 SER 33 HB3 SER 33 -11.548 -5.837 5.733
242 HG SER 33 HG SER 33 -14.107 -5.194 6.016
Start of MODEL 26
1 HA ALA 1 HA ALA 1 -15.480 0.498 1.341
2 HB1 ALA 1 HB1 ALA 1 -15.093 0.706 -1.051
3 HB2 ALA 1 HB2 ALA 1 -16.608 1.588 -1.234
4 HB3 ALA 1 HB3 ALA 1 -16.627 -0.104 -0.739
5 H SER 2 H SER 2 -13.679 1.820 -0.002
6 HA SER 2 HA SER 2 -13.841 4.674 0.230
7 HB2 SER 2 HB2 SER 2 -13.553 3.906 2.659
8 HB3 SER 2 HB3 SER 2 -11.958 3.322 2.186
9 HG SER 2 HG SER 2 -12.245 5.585 3.073
10 HA PRO 3 HA PRO 3 -10.884 2.752 -2.863
11 HB2 PRO 3 HB2 PRO 3 -11.844 5.221 -4.240
12 HB3 PRO 3 HB3 PRO 3 -11.553 3.595 -4.904
13 HG2 PRO 3 HG2 PRO 3 -14.027 4.399 -4.465
14 HG3 PRO 3 HG3 PRO 3 -13.535 2.751 -4.022
15 HD2 PRO 3 HD2 PRO 3 -13.941 5.137 -2.221
16 HD3 PRO 3 HD3 PRO 3 -14.365 3.416 -1.956
17 H GLN 4 H GLN 4 -11.239 5.997 -1.559
18 HA GLN 4 HA GLN 4 -8.769 6.958 -2.622
19 HB2 GLN 4 HB2 GLN 4 -10.515 8.066 -0.425
20 HB3 GLN 4 HB3 GLN 4 -9.095 8.879 -1.069
21 HG2 GLN 4 HG2 GLN 4 -11.581 8.172 -2.632
22 HG3 GLN 4 HG3 GLN 4 -11.147 9.777 -2.050
23 HE21 GLN 4 HE21 GLN 4 -8.310 9.440 -2.679
24 HE22 GLN 4 HE22 GLN 4 -8.185 9.543 -4.406
25 H GLN 5 H GLN 5 -9.765 5.683 0.523
26 HA GLN 5 HA GLN 5 -7.245 6.157 1.742
27 HB2 GLN 5 HB2 GLN 5 -8.059 5.119 3.643
28 HB3 GLN 5 HB3 GLN 5 -9.537 5.682 2.885
29 HG2 GLN 5 HG2 GLN 5 -9.937 3.453 1.986
30 HG3 GLN 5 HG3 GLN 5 -8.441 2.884 2.719
31 HE21 GLN 5 HE21 GLN 5 -8.885 4.537 5.133
32 HE22 GLN 5 HE22 GLN 5 -10.111 3.713 6.035
33 H ALA 6 H ALA 6 -8.650 3.463 0.021
34 HA ALA 6 HA ALA 6 -6.538 1.632 0.485
35 HB1 ALA 6 HB1 ALA 6 -8.488 1.741 -1.815
36 HB2 ALA 6 HB2 ALA 6 -8.720 0.874 -0.297
37 HB3 ALA 6 HB3 ALA 6 -7.446 0.378 -1.414
38 H LYS 7 H LYS 7 -7.178 4.005 -2.056
39 HA LYS 7 HA LYS 7 -4.971 3.348 -3.689
40 HB2 LYS 7 HB2 LYS 7 -6.975 4.773 -4.319
41 HB3 LYS 7 HB3 LYS 7 -6.230 6.081 -3.416
42 HG2 LYS 7 HG2 LYS 7 -5.764 6.366 -5.749
43 HG3 LYS 7 HG3 LYS 7 -4.256 5.954 -4.892
44 HD2 LYS 7 HD2 LYS 7 -4.398 4.690 -6.992
45 HD3 LYS 7 HD3 LYS 7 -4.518 3.595 -5.613
46 HE2 LYS 7 HE2 LYS 7 -6.958 3.520 -5.877
47 HE3 LYS 7 HE3 LYS 7 -6.843 4.644 -7.230
48 HZ1 LYS 7 HZ1 LYS 7 -5.728 1.900 -7.123
49 HZ2 LYS 7 HZ2 LYS 7 -5.495 2.979 -8.401
50 HZ3 LYS 7 HZ3 LYS 7 -7.047 2.416 -8.045
51 H TYR 8 H TYR 8 -5.367 5.477 -0.927
52 HA TYR 8 HA TYR 8 -2.823 6.699 -1.001
53 HB2 TYR 8 HB2 TYR 8 -4.741 7.520 0.364
54 HB3 TYR 8 HB3 TYR 8 -4.547 6.117 1.416
55 HD1 TYR 8 HD1 TYR 8 -2.976 9.259 0.303
56 HD2 TYR 8 HD2 TYR 8 -2.876 6.062 3.105
57 HE1 TYR 8 HE1 TYR 8 -1.376 10.521 1.678
58 HE2 TYR 8 HE2 TYR 8 -1.273 7.309 4.486
59 HH TYR 8 HH TYR 8 -0.627 10.606 4.016
60 H CYS 9 H CYS 9 -4.044 3.757 0.492
61 HA CYS 9 HA CYS 9 -1.756 3.046 1.958
62 HB2 CYS 9 HB2 CYS 9 -4.016 2.009 2.231
63 HB3 CYS 9 HB3 CYS 9 -3.786 1.170 0.691
64 H TYR 10 H TYR 10 -2.778 2.104 -1.321
65 HA TYR 10 HA TYR 10 -0.442 0.568 -1.865
66 HB2 TYR 10 HB2 TYR 10 -2.574 1.762 -3.646
67 HB3 TYR 10 HB3 TYR 10 -1.195 0.871 -4.294
68 HD1 TYR 10 HD1 TYR 10 -0.897 -1.525 -3.660
69 HD2 TYR 10 HD2 TYR 10 -4.455 0.628 -2.760
70 HE1 TYR 10 HE1 TYR 10 -2.104 -3.643 -3.390
71 HE2 TYR 10 HE2 TYR 10 -5.667 -1.481 -2.482
72 HH TYR 10 HH TYR 10 -5.451 -3.841 -3.307
73 H GLU 11 H GLU 11 -1.147 3.948 -2.014
74 HA GLU 11 HA GLU 11 0.918 4.642 -3.845
75 HB2 GLU 11 HB2 GLU 11 -1.108 6.077 -3.231
76 HB3 GLU 11 HB3 GLU 11 -0.234 6.452 -1.727
77 HG2 GLU 11 HG2 GLU 11 0.088 8.217 -3.342
78 HG3 GLU 11 HG3 GLU 11 1.620 7.361 -3.043
79 H GLN 12 H GLN 12 0.621 5.097 -0.326
80 HA GLN 12 HA GLN 12 3.306 6.039 -0.146
81 HB2 GLN 12 HB2 GLN 12 1.282 5.359 1.993
82 HB3 GLN 12 HB3 GLN 12 2.825 6.139 2.298
83 HG2 GLN 12 HG2 GLN 12 0.952 7.334 0.322
84 HG3 GLN 12 HG3 GLN 12 0.649 7.538 2.041
85 HE21 GLN 12 HE21 GLN 12 3.889 7.306 0.794
86 HE22 GLN 12 HE22 GLN 12 4.311 8.966 1.048
87 H CYS 13 H CYS 13 1.930 2.905 -0.032
88 HA CYS 13 HA CYS 13 3.505 1.678 1.925
89 HB2 CYS 13 HB2 CYS 13 2.917 -0.447 0.884
90 HB3 CYS 13 HB3 CYS 13 1.511 0.623 0.818
91 H ASN 14 H ASN 14 4.107 1.690 -1.613
92 HA ASN 14 HA ASN 14 6.772 0.691 -1.226
93 HB2 ASN 14 HB2 ASN 14 7.041 0.976 -3.649
94 HB3 ASN 14 HB3 ASN 14 5.531 0.165 -3.274
95 HD21 ASN 14 HD21 ASN 14 6.960 3.169 -4.442
96 HD22 ASN 14 HD22 ASN 14 5.490 3.803 -5.097
97 H VAL 15 H VAL 15 5.348 3.855 -1.502
98 HA VAL 15 HA VAL 15 7.652 5.321 -2.159
99 HB VAL 15 HB VAL 15 5.231 6.164 -0.555
100 HG11 VAL 15 HG11 VAL 15 7.122 7.594 0.013
101 HG12 VAL 15 HG12 VAL 15 5.954 8.479 -0.970
102 HG13 VAL 15 HG13 VAL 15 7.443 7.875 -1.698
103 HG21 VAL 15 HG21 VAL 15 4.567 7.307 -2.621
104 HG22 VAL 15 HG22 VAL 15 4.744 5.571 -2.879
105 HG23 VAL 15 HG23 VAL 15 6.002 6.677 -3.430
106 H ASN 16 H ASN 16 6.308 4.334 0.980
107 HA ASN 16 HA ASN 16 8.398 5.593 2.476
108 HB2 ASN 16 HB2 ASN 16 6.482 3.367 3.258
109 HB3 ASN 16 HB3 ASN 16 7.544 4.236 4.376
110 HD21 ASN 16 HD21 ASN 16 4.639 4.114 4.457
111 HD22 ASN 16 HD22 ASN 16 4.087 5.743 4.299
112 H LYS 17 H LYS 17 7.723 2.088 2.521
113 HA LYS 17 HA LYS 17 9.749 1.303 0.847
114 HB2 LYS 17 HB2 LYS 17 11.516 0.456 2.285
115 HB3 LYS 17 HB3 LYS 17 11.332 2.199 2.497
116 HG2 LYS 17 HG2 LYS 17 10.193 0.136 4.388
117 HG3 LYS 17 HG3 LYS 17 11.778 0.885 4.587
118 HD2 LYS 17 HD2 LYS 17 10.689 3.113 4.661
119 HD3 LYS 17 HD3 LYS 17 9.098 2.327 4.578
120 HE2 LYS 17 HE2 LYS 17 9.631 2.849 6.884
121 HE3 LYS 17 HE3 LYS 17 9.660 1.101 6.664
122 HZ1 LYS 17 HZ1 LYS 17 12.061 2.850 6.677
123 HZ2 LYS 17 HZ2 LYS 17 12.051 1.161 6.567
124 HZ3 LYS 17 HZ3 LYS 17 11.534 1.919 7.986
125 H VAL 18 H VAL 18 7.831 -0.017 0.356
126 HA VAL 18 HA VAL 18 8.234 -2.606 1.614
127 HB VAL 18 HB VAL 18 6.105 -3.094 2.322
128 HG11 VAL 18 HG11 VAL 18 6.821 -1.222 3.706
129 HG12 VAL 18 HG12 VAL 18 5.067 -1.272 3.541
130 HG13 VAL 18 HG13 VAL 18 6.005 -0.094 2.621
131 HG21 VAL 18 HG21 VAL 18 4.039 -2.149 1.457
132 HG22 VAL 18 HG22 VAL 18 5.065 -2.763 0.157
133 HG23 VAL 18 HG23 VAL 18 4.963 -1.028 0.454
134 HA PRO 19 HA PRO 19 7.845 -3.842 -2.687
135 HB2 PRO 19 HB2 PRO 19 6.992 -6.455 -1.607
136 HB3 PRO 19 HB3 PRO 19 8.384 -6.067 -2.635
137 HG2 PRO 19 HG2 PRO 19 8.700 -6.729 -0.055
138 HG3 PRO 19 HG3 PRO 19 9.733 -5.529 -0.854
139 HD2 PRO 19 HD2 PRO 19 7.431 -5.084 1.022
140 HD3 PRO 19 HD3 PRO 19 8.991 -4.234 0.902
141 H PHE 20 H PHE 20 6.157 -4.341 -4.183
142 HA PHE 20 HA PHE 20 3.609 -3.416 -3.487
143 HB2 PHE 20 HB2 PHE 20 4.518 -3.461 -5.815
144 HB3 PHE 20 HB3 PHE 20 4.260 -5.202 -5.843
145 HD1 PHE 20 HD1 PHE 20 2.047 -6.136 -6.032
146 HD2 PHE 20 HD2 PHE 20 2.637 -1.926 -5.842
147 HE1 PHE 20 HE1 PHE 20 -0.270 -5.781 -6.784
148 HE2 PHE 20 HE2 PHE 20 0.320 -1.562 -6.590
149 HZ PHE 20 HZ PHE 20 -1.136 -3.493 -7.059
150 H ASP 21 H ASP 21 4.823 -6.740 -3.713
151 HA ASP 21 HA ASP 21 2.353 -8.033 -3.332
152 HB2 ASP 21 HB2 ASP 21 3.606 -9.999 -2.719
153 HB3 ASP 21 HB3 ASP 21 4.445 -9.199 -4.042
154 H GLN 22 H GLN 22 4.588 -6.553 -1.089
155 HA GLN 22 HA GLN 22 3.234 -7.450 1.266
156 HB2 GLN 22 HB2 GLN 22 5.603 -6.764 1.287
157 HB3 GLN 22 HB3 GLN 22 5.120 -5.115 0.903
158 HG2 GLN 22 HG2 GLN 22 5.542 -5.236 3.233
159 HG3 GLN 22 HG3 GLN 22 3.793 -5.086 3.006
160 HE21 GLN 22 HE21 GLN 22 6.401 -7.188 3.951
161 HE22 GLN 22 HE22 GLN 22 5.414 -8.393 4.709
162 H CYS 23 H CYS 23 3.152 -4.515 -0.756
163 HA CYS 23 HA CYS 23 1.289 -3.029 0.683
164 HB2 CYS 23 HB2 CYS 23 1.362 -3.299 -2.343
165 HB3 CYS 23 HB3 CYS 23 0.629 -1.988 -1.432
166 H TYR 24 H TYR 24 0.816 -5.660 -1.607
167 HA TYR 24 HA TYR 24 -1.966 -5.614 -1.754
168 HB2 TYR 24 HB2 TYR 24 -0.368 -6.945 -3.212
169 HB3 TYR 24 HB3 TYR 24 -0.250 -8.109 -1.882
170 HD1 TYR 24 HD1 TYR 24 -2.247 -6.903 -4.644
171 HD2 TYR 24 HD2 TYR 24 -2.259 -9.399 -1.207
172 HE1 TYR 24 HE1 TYR 24 -4.251 -8.048 -5.489
173 HE2 TYR 24 HE2 TYR 24 -4.258 -10.548 -2.033
174 HH TYR 24 HH TYR 24 -6.135 -10.112 -3.546
175 H GLN 25 H GLN 25 0.180 -7.109 0.625
176 HA GLN 25 HA GLN 25 -1.912 -8.715 1.756
177 HB2 GLN 25 HB2 GLN 25 0.921 -8.126 2.597
178 HB3 GLN 25 HB3 GLN 25 -0.175 -9.030 3.636
179 HG2 GLN 25 HG2 GLN 25 0.685 -9.814 0.840
180 HG3 GLN 25 HG3 GLN 25 1.179 -10.573 2.353
181 HE21 GLN 25 HE21 GLN 25 -0.289 -11.862 3.469
182 HE22 GLN 25 HE22 GLN 25 -1.726 -12.471 2.724
183 H MET 26 H MET 26 -0.675 -5.528 2.344
184 HA MET 26 HA MET 26 -2.167 -5.328 4.827
185 HB2 MET 26 HB2 MET 26 -0.051 -4.252 4.897
186 HB3 MET 26 HB3 MET 26 -0.328 -3.459 3.357
187 HG2 MET 26 HG2 MET 26 -2.046 -2.050 4.381
188 HG3 MET 26 HG3 MET 26 -1.778 -2.850 5.930
189 HE1 MET 26 HE1 MET 26 1.540 -0.368 3.865
190 HE2 MET 26 HE2 MET 26 0.025 -0.802 3.071
191 HE3 MET 26 HE3 MET 26 1.211 -2.049 3.456
192 H CYS 27 H CYS 27 -2.223 -3.885 1.576
193 HA CYS 27 HA CYS 27 -4.428 -2.179 2.328
194 HB2 CYS 27 HB2 CYS 27 -3.222 -2.509 -0.429
195 HB3 CYS 27 HB3 CYS 27 -4.170 -1.144 0.193
196 H SER 28 H SER 28 -4.077 -5.172 0.447
197 HA SER 28 HA SER 28 -6.568 -4.959 -0.848
198 HB2 SER 28 HB2 SER 28 -4.922 -7.412 -0.255
199 HB3 SER 28 HB3 SER 28 -6.402 -7.426 -1.223
200 HG SER 28 HG SER 28 -4.637 -5.475 -1.986
201 HA PRO 29 HA PRO 29 -8.384 -7.616 2.917
202 HB2 PRO 29 HB2 PRO 29 -6.442 -6.472 4.887
203 HB3 PRO 29 HB3 PRO 29 -7.299 -8.027 4.932
204 HG2 PRO 29 HG2 PRO 29 -4.755 -7.991 4.229
205 HG3 PRO 29 HG3 PRO 29 -5.909 -8.986 3.303
206 HD2 PRO 29 HD2 PRO 29 -4.698 -6.327 2.590
207 HD3 PRO 29 HD3 PRO 29 -5.034 -7.733 1.554
208 H LEU 30 H LEU 30 -6.733 -4.549 3.545
209 HA LEU 30 HA LEU 30 -8.642 -3.164 4.992
210 HB2 LEU 30 HB2 LEU 30 -6.279 -2.445 4.289
211 HB3 LEU 30 HB3 LEU 30 -6.998 -1.981 2.738
212 HG LEU 30 HG LEU 30 -7.545 -0.736 5.453
213 HD11 LEU 30 HD11 LEU 30 -6.223 0.317 2.950
214 HD12 LEU 30 HD12 LEU 30 -5.410 -0.116 4.458
215 HD13 LEU 30 HD13 LEU 30 -6.533 1.245 4.419
216 HD21 LEU 30 HD21 LEU 30 -9.596 -0.757 4.087
217 HD22 LEU 30 HD22 LEU 30 -8.716 0.022 2.770
218 HD23 LEU 30 HD23 LEU 30 -8.955 0.874 4.297
219 H GLU 31 H GLU 31 -8.228 -3.285 1.494
220 HA GLU 31 HA GLU 31 -10.467 -1.642 0.918
221 HB2 GLU 31 HB2 GLU 31 -8.487 -1.896 -0.569
222 HB3 GLU 31 HB3 GLU 31 -9.005 -3.549 -0.925
223 HG2 GLU 31 HG2 GLU 31 -11.152 -2.570 -1.800
224 HG3 GLU 31 HG3 GLU 31 -10.392 -0.978 -1.670
225 H ARG 32 H ARG 32 -10.040 -5.143 1.076
226 HA ARG 32 HA ARG 32 -12.928 -5.414 0.536
227 HB2 ARG 32 HB2 ARG 32 -10.724 -7.270 -0.415
228 HB3 ARG 32 HB3 ARG 32 -12.446 -7.605 -0.574
229 HG2 ARG 32 HG2 ARG 32 -11.099 -5.191 -1.821
230 HG3 ARG 32 HG3 ARG 32 -11.260 -6.732 -2.656
231 HD2 ARG 32 HD2 ARG 32 -12.996 -5.237 -3.377
232 HD3 ARG 32 HD3 ARG 32 -13.731 -6.536 -2.451
233 HE ARG 32 HE ARG 32 -13.180 -4.279 -0.801
234 HH11 ARG 32 HH11 ARG 32 -15.395 -5.471 -3.231
235 HH12 ARG 32 HH12 ARG 32 -16.703 -4.451 -2.728
236 HH21 ARG 32 HH21 ARG 32 -14.908 -2.938 -0.126
237 HH22 ARG 32 HH22 ARG 32 -16.429 -3.020 -0.955
238 H SER 33 H SER 33 -13.093 -5.343 2.872
239 HA SER 33 HA SER 33 -12.922 -8.080 3.909
240 HB2 SER 33 HB2 SER 33 -12.560 -6.870 6.230
241 HB3 SER 33 HB3 SER 33 -11.177 -7.189 5.180
242 HG SER 33 HG SER 33 -10.996 -5.119 4.732
Start of MODEL 27
1 HA ALA 1 HA ALA 1 -17.184 1.377 -0.549
2 HB1 ALA 1 HB1 ALA 1 -15.828 0.551 1.303
3 HB2 ALA 1 HB2 ALA 1 -14.532 0.139 0.180
4 HB3 ALA 1 HB3 ALA 1 -16.077 -0.708 0.093
5 H SER 2 H SER 2 -13.658 1.894 -0.844
6 HA SER 2 HA SER 2 -14.030 4.762 -0.591
7 HB2 SER 2 HB2 SER 2 -12.395 4.840 1.371
8 HB3 SER 2 HB3 SER 2 -13.987 4.186 1.767
9 HG SER 2 HG SER 2 -12.092 2.342 0.925
10 HA PRO 3 HA PRO 3 -10.761 3.146 -3.556
11 HB2 PRO 3 HB2 PRO 3 -11.556 5.788 -4.712
12 HB3 PRO 3 HB3 PRO 3 -11.183 4.257 -5.540
13 HG2 PRO 3 HG2 PRO 3 -13.694 4.991 -5.270
14 HG3 PRO 3 HG3 PRO 3 -13.231 3.305 -4.953
15 HD2 PRO 3 HD2 PRO 3 -13.851 5.486 -2.965
16 HD3 PRO 3 HD3 PRO 3 -14.272 3.744 -2.924
17 H GLN 4 H GLN 4 -11.146 6.365 -2.130
18 HA GLN 4 HA GLN 4 -8.516 7.245 -2.728
19 HB2 GLN 4 HB2 GLN 4 -10.458 8.186 -0.614
20 HB3 GLN 4 HB3 GLN 4 -8.929 8.977 -0.963
21 HG2 GLN 4 HG2 GLN 4 -9.705 9.392 -3.282
22 HG3 GLN 4 HG3 GLN 4 -11.259 8.677 -2.861
23 HE21 GLN 4 HE21 GLN 4 -9.422 10.633 -0.636
24 HE22 GLN 4 HE22 GLN 4 -10.493 11.991 -0.640
25 H GLN 5 H GLN 5 -9.922 5.568 0.001
26 HA GLN 5 HA GLN 5 -7.631 5.780 1.669
27 HB2 GLN 5 HB2 GLN 5 -9.969 3.873 1.722
28 HB3 GLN 5 HB3 GLN 5 -8.682 3.847 2.917
29 HG2 GLN 5 HG2 GLN 5 -10.165 6.391 2.400
30 HG3 GLN 5 HG3 GLN 5 -10.882 5.141 3.413
31 HE21 GLN 5 HE21 GLN 5 -7.426 5.585 3.334
32 HE22 GLN 5 HE22 GLN 5 -7.285 6.278 4.909
33 H ALA 6 H ALA 6 -8.834 3.276 -0.502
34 HA ALA 6 HA ALA 6 -6.738 1.443 -0.074
35 HB1 ALA 6 HB1 ALA 6 -8.840 0.815 -1.178
36 HB2 ALA 6 HB2 ALA 6 -7.434 0.400 -2.161
37 HB3 ALA 6 HB3 ALA 6 -8.400 1.814 -2.564
38 H LYS 7 H LYS 7 -7.153 4.074 -2.392
39 HA LYS 7 HA LYS 7 -4.789 3.533 -3.854
40 HB2 LYS 7 HB2 LYS 7 -6.832 4.993 -4.495
41 HB3 LYS 7 HB3 LYS 7 -6.022 6.266 -3.597
42 HG2 LYS 7 HG2 LYS 7 -5.554 6.484 -5.948
43 HG3 LYS 7 HG3 LYS 7 -4.061 6.053 -5.076
44 HD2 LYS 7 HD2 LYS 7 -4.216 3.768 -5.806
45 HD3 LYS 7 HD3 LYS 7 -5.843 4.015 -6.444
46 HE2 LYS 7 HE2 LYS 7 -4.218 3.946 -8.267
47 HE3 LYS 7 HE3 LYS 7 -4.929 5.553 -8.136
48 HZ1 LYS 7 HZ1 LYS 7 -2.540 5.636 -8.481
49 HZ2 LYS 7 HZ2 LYS 7 -2.282 4.757 -7.060
50 HZ3 LYS 7 HZ3 LYS 7 -2.956 6.306 -6.986
51 H TYR 8 H TYR 8 -5.495 5.445 -0.996
52 HA TYR 8 HA TYR 8 -2.989 6.755 -0.836
53 HB2 TYR 8 HB2 TYR 8 -5.065 7.478 0.376
54 HB3 TYR 8 HB3 TYR 8 -4.857 6.089 1.445
55 HD1 TYR 8 HD1 TYR 8 -3.193 9.199 0.297
56 HD2 TYR 8 HD2 TYR 8 -3.477 6.232 3.330
57 HE1 TYR 8 HE1 TYR 8 -1.725 10.543 1.739
58 HE2 TYR 8 HE2 TYR 8 -2.013 7.567 4.784
59 HH TYR 8 HH TYR 8 -0.255 9.319 4.512
60 H CYS 9 H CYS 9 -4.276 3.775 0.560
61 HA CYS 9 HA CYS 9 -2.040 3.081 2.116
62 HB2 CYS 9 HB2 CYS 9 -4.288 1.999 2.297
63 HB3 CYS 9 HB3 CYS 9 -3.991 1.180 0.757
64 H TYR 10 H TYR 10 -2.912 2.200 -1.214
65 HA TYR 10 HA TYR 10 -0.537 0.695 -1.692
66 HB2 TYR 10 HB2 TYR 10 -2.686 1.825 -3.490
67 HB3 TYR 10 HB3 TYR 10 -1.242 1.055 -4.156
68 HD1 TYR 10 HD1 TYR 10 -4.480 0.512 -2.645
69 HD2 TYR 10 HD2 TYR 10 -0.763 -1.319 -3.588
70 HE1 TYR 10 HE1 TYR 10 -5.512 -1.698 -2.395
71 HE2 TYR 10 HE2 TYR 10 -1.780 -3.526 -3.342
72 HH TYR 10 HH TYR 10 -3.682 -4.572 -2.214
73 H GLU 11 H GLU 11 -1.222 4.049 -1.719
74 HA GLU 11 HA GLU 11 0.869 4.839 -3.493
75 HB2 GLU 11 HB2 GLU 11 -1.125 6.262 -2.910
76 HB3 GLU 11 HB3 GLU 11 -0.420 6.456 -1.289
77 HG2 GLU 11 HG2 GLU 11 0.034 8.390 -2.678
78 HG3 GLU 11 HG3 GLU 11 1.532 7.532 -2.248
79 H GLN 12 H GLN 12 0.504 5.119 0.030
80 HA GLN 12 HA GLN 12 3.147 6.117 0.314
81 HB2 GLN 12 HB2 GLN 12 1.219 5.182 2.446
82 HB3 GLN 12 HB3 GLN 12 2.670 6.126 2.714
83 HG2 GLN 12 HG2 GLN 12 0.590 7.147 0.853
84 HG3 GLN 12 HG3 GLN 12 0.352 7.277 2.587
85 HE21 GLN 12 HE21 GLN 12 3.526 7.456 1.185
86 HE22 GLN 12 HE22 GLN 12 3.765 9.151 1.447
87 H CYS 13 H CYS 13 1.909 2.931 0.191
88 HA CYS 13 HA CYS 13 3.628 1.663 2.030
89 HB2 CYS 13 HB2 CYS 13 3.045 -0.424 0.885
90 HB3 CYS 13 HB3 CYS 13 1.601 0.579 1.063
91 H ASN 14 H ASN 14 3.948 1.855 -1.541
92 HA ASN 14 HA ASN 14 6.656 0.932 -1.451
93 HB2 ASN 14 HB2 ASN 14 6.709 1.631 -3.871
94 HB3 ASN 14 HB3 ASN 14 5.427 0.505 -3.452
95 HD21 ASN 14 HD21 ASN 14 6.104 3.898 -4.244
96 HD22 ASN 14 HD22 ASN 14 4.476 4.275 -4.696
97 H VAL 15 H VAL 15 5.151 4.070 -1.335
98 HA VAL 15 HA VAL 15 7.390 5.633 -1.977
99 HB VAL 15 HB VAL 15 5.026 6.271 -0.206
100 HG11 VAL 15 HG11 VAL 15 6.894 7.678 0.464
101 HG12 VAL 15 HG12 VAL 15 5.701 8.634 -0.414
102 HG13 VAL 15 HG13 VAL 15 7.185 8.126 -1.215
103 HG21 VAL 15 HG21 VAL 15 5.704 7.079 -3.038
104 HG22 VAL 15 HG22 VAL 15 4.299 7.630 -2.125
105 HG23 VAL 15 HG23 VAL 15 4.458 5.927 -2.553
106 H ASN 16 H ASN 16 6.351 4.150 1.073
107 HA ASN 16 HA ASN 16 8.521 5.348 2.547
108 HB2 ASN 16 HB2 ASN 16 6.770 2.959 3.240
109 HB3 ASN 16 HB3 ASN 16 7.896 3.757 4.343
110 HD21 ASN 16 HD21 ASN 16 7.231 6.410 3.282
111 HD22 ASN 16 HD22 ASN 16 5.684 6.797 3.952
112 H LYS 17 H LYS 17 7.941 1.853 2.311
113 HA LYS 17 HA LYS 17 9.740 1.239 0.346
114 HB2 LYS 17 HB2 LYS 17 11.708 0.350 1.456
115 HB3 LYS 17 HB3 LYS 17 11.521 2.065 1.835
116 HG2 LYS 17 HG2 LYS 17 10.661 -0.151 3.695
117 HG3 LYS 17 HG3 LYS 17 12.276 0.559 3.715
118 HD2 LYS 17 HD2 LYS 17 11.312 2.768 4.177
119 HD3 LYS 17 HD3 LYS 17 9.676 2.072 4.176
120 HE2 LYS 17 HE2 LYS 17 11.933 1.343 6.063
121 HE3 LYS 17 HE3 LYS 17 10.547 2.357 6.458
122 HZ1 LYS 17 HZ1 LYS 17 9.097 0.474 6.092
123 HZ2 LYS 17 HZ2 LYS 17 10.272 0.076 7.238
124 HZ3 LYS 17 HZ3 LYS 17 10.407 -0.502 5.657
125 H VAL 18 H VAL 18 7.869 -0.165 -0.042
126 HA VAL 18 HA VAL 18 8.316 -2.709 1.328
127 HB VAL 18 HB VAL 18 6.152 -3.174 1.963
128 HG11 VAL 18 HG11 VAL 18 6.181 -0.172 2.254
129 HG12 VAL 18 HG12 VAL 18 6.944 -1.332 3.343
130 HG13 VAL 18 HG13 VAL 18 5.188 -1.306 3.174
131 HG21 VAL 18 HG21 VAL 18 5.108 -1.076 0.071
132 HG22 VAL 18 HG22 VAL 18 4.132 -2.153 1.076
133 HG23 VAL 18 HG23 VAL 18 5.147 -2.817 -0.207
134 HA PRO 19 HA PRO 19 8.014 -4.340 -2.843
135 HB2 PRO 19 HB2 PRO 19 7.102 -6.792 -1.445
136 HB3 PRO 19 HB3 PRO 19 8.463 -6.577 -2.563
137 HG2 PRO 19 HG2 PRO 19 8.900 -6.920 0.045
138 HG3 PRO 19 HG3 PRO 19 9.883 -5.796 -0.913
139 HD2 PRO 19 HD2 PRO 19 7.622 -5.187 0.974
140 HD3 PRO 19 HD3 PRO 19 9.172 -4.340 0.735
141 H PHE 20 H PHE 20 6.316 -5.021 -4.298
142 HA PHE 20 HA PHE 20 3.850 -3.841 -3.775
143 HB2 PHE 20 HB2 PHE 20 4.703 -4.327 -6.060
144 HB3 PHE 20 HB3 PHE 20 4.360 -6.034 -5.799
145 HD1 PHE 20 HD1 PHE 20 2.868 -2.710 -6.241
146 HD2 PHE 20 HD2 PHE 20 2.125 -6.887 -5.912
147 HE1 PHE 20 HE1 PHE 20 0.563 -2.356 -7.020
148 HE2 PHE 20 HE2 PHE 20 -0.180 -6.541 -6.697
149 HZ PHE 20 HZ PHE 20 -0.965 -4.274 -7.251
150 H ASP 21 H ASP 21 4.772 -7.260 -3.506
151 HA ASP 21 HA ASP 21 2.204 -8.265 -2.995
152 HB2 ASP 21 HB2 ASP 21 3.308 -10.232 -2.063
153 HB3 ASP 21 HB3 ASP 21 4.094 -9.731 -3.556
154 H GLN 22 H GLN 22 4.661 -6.970 -0.799
155 HA GLN 22 HA GLN 22 3.213 -7.480 1.577
156 HB2 GLN 22 HB2 GLN 22 5.630 -6.953 1.569
157 HB3 GLN 22 HB3 GLN 22 5.265 -5.312 1.041
158 HG2 GLN 22 HG2 GLN 22 3.907 -5.047 3.131
159 HG3 GLN 22 HG3 GLN 22 4.559 -6.602 3.662
160 HE21 GLN 22 HE21 GLN 22 4.861 -3.980 4.866
161 HE22 GLN 22 HE22 GLN 22 6.565 -3.673 4.926
162 H CYS 23 H CYS 23 3.312 -4.770 -0.686
163 HA CYS 23 HA CYS 23 1.638 -3.035 0.787
164 HB2 CYS 23 HB2 CYS 23 2.957 -2.364 -1.280
165 HB3 CYS 23 HB3 CYS 23 1.737 -3.205 -2.238
166 H TYR 24 H TYR 24 0.927 -5.533 -1.611
167 HA TYR 24 HA TYR 24 -1.867 -5.239 -1.581
168 HB2 TYR 24 HB2 TYR 24 -0.557 -6.599 -3.267
169 HB3 TYR 24 HB3 TYR 24 -0.357 -7.836 -2.014
170 HD1 TYR 24 HD1 TYR 24 -2.216 -9.218 -1.327
171 HD2 TYR 24 HD2 TYR 24 -2.727 -6.200 -4.276
172 HE1 TYR 24 HE1 TYR 24 -4.379 -10.196 -1.942
173 HE2 TYR 24 HE2 TYR 24 -4.893 -7.170 -4.902
174 HH TYR 24 HH TYR 24 -6.086 -9.258 -4.766
175 H GLN 25 H GLN 25 0.325 -7.050 0.512
176 HA GLN 25 HA GLN 25 -1.743 -8.634 1.668
177 HB2 GLN 25 HB2 GLN 25 -0.093 -9.666 2.930
178 HB3 GLN 25 HB3 GLN 25 0.870 -9.036 1.600
179 HG2 GLN 25 HG2 GLN 25 1.518 -7.111 2.985
180 HG3 GLN 25 HG3 GLN 25 0.551 -7.748 4.310
181 HE21 GLN 25 HE21 GLN 25 2.295 -7.919 5.670
182 HE22 GLN 25 HE22 GLN 25 3.527 -9.118 5.470
183 H MET 26 H MET 26 -0.397 -5.509 2.405
184 HA MET 26 HA MET 26 -1.670 -5.421 5.002
185 HB2 MET 26 HB2 MET 26 0.425 -4.312 4.888
186 HB3 MET 26 HB3 MET 26 -0.024 -3.468 3.417
187 HG2 MET 26 HG2 MET 26 -1.657 -2.138 4.681
188 HG3 MET 26 HG3 MET 26 -1.179 -2.972 6.160
189 HE1 MET 26 HE1 MET 26 1.496 -2.051 3.387
190 HE2 MET 26 HE2 MET 26 1.791 -0.355 3.767
191 HE3 MET 26 HE3 MET 26 0.219 -0.858 3.147
192 H CYS 27 H CYS 27 -2.115 -3.911 1.820
193 HA CYS 27 HA CYS 27 -4.371 -2.377 2.776
194 HB2 CYS 27 HB2 CYS 27 -3.445 -2.725 -0.094
195 HB3 CYS 27 HB3 CYS 27 -4.474 -1.436 0.563
196 H SER 28 H SER 28 -4.012 -5.569 1.717
197 HA SER 28 HA SER 28 -6.331 -5.880 0.190
198 HB2 SER 28 HB2 SER 28 -6.178 -8.330 0.867
199 HB3 SER 28 HB3 SER 28 -4.780 -7.636 0.040
200 HG SER 28 HG SER 28 -4.687 -8.940 2.222
201 HA PRO 29 HA PRO 29 -8.716 -7.112 4.293
202 HB2 PRO 29 HB2 PRO 29 -7.250 -5.362 6.199
203 HB3 PRO 29 HB3 PRO 29 -7.968 -6.964 6.463
204 HG2 PRO 29 HG2 PRO 29 -5.333 -6.726 6.256
205 HG3 PRO 29 HG3 PRO 29 -6.178 -8.082 5.463
206 HD2 PRO 29 HD2 PRO 29 -5.130 -5.530 4.248
207 HD3 PRO 29 HD3 PRO 29 -5.043 -7.198 3.627
208 H LEU 30 H LEU 30 -7.494 -4.150 3.194
209 HA LEU 30 HA LEU 30 -9.673 -2.544 4.264
210 HB2 LEU 30 HB2 LEU 30 -7.183 -1.819 3.952
211 HB3 LEU 30 HB3 LEU 30 -7.623 -1.639 2.245
212 HG LEU 30 HG LEU 30 -8.769 -0.093 4.594
213 HD11 LEU 30 HD11 LEU 30 -6.550 0.623 3.985
214 HD12 LEU 30 HD12 LEU 30 -7.720 1.822 3.430
215 HD13 LEU 30 HD13 LEU 30 -7.003 0.693 2.282
216 HD21 LEU 30 HD21 LEU 30 -10.037 1.198 2.970
217 HD22 LEU 30 HD22 LEU 30 -10.498 -0.505 2.880
218 HD23 LEU 30 HD23 LEU 30 -9.433 0.187 1.656
219 H GLU 31 H GLU 31 -8.304 -3.220 1.042
220 HA GLU 31 HA GLU 31 -10.664 -2.134 -0.203
221 HB2 GLU 31 HB2 GLU 31 -8.416 -1.693 -1.104
222 HB3 GLU 31 HB3 GLU 31 -8.253 -3.412 -1.490
223 HG2 GLU 31 HG2 GLU 31 -8.913 -1.895 -3.410
224 HG3 GLU 31 HG3 GLU 31 -9.943 -3.305 -3.136
225 H ARG 32 H ARG 32 -9.049 -5.331 -0.552
226 HA ARG 32 HA ARG 32 -11.712 -6.335 -1.279
227 HB2 ARG 32 HB2 ARG 32 -10.639 -7.998 -2.796
228 HB3 ARG 32 HB3 ARG 32 -10.448 -6.326 -3.331
229 HG2 ARG 32 HG2 ARG 32 -8.271 -7.709 -1.768
230 HG3 ARG 32 HG3 ARG 32 -8.437 -7.964 -3.505
231 HD2 ARG 32 HD2 ARG 32 -7.965 -5.337 -2.089
232 HD3 ARG 32 HD3 ARG 32 -6.830 -6.215 -3.114
233 HE ARG 32 HE ARG 32 -9.282 -5.537 -4.452
234 HH11 ARG 32 HH11 ARG 32 -6.079 -4.363 -3.612
235 HH12 ARG 32 HH12 ARG 32 -6.042 -3.208 -4.904
236 HH21 ARG 32 HH21 ARG 32 -9.217 -4.014 -6.136
237 HH22 ARG 32 HH22 ARG 32 -7.819 -3.006 -6.332
238 H SER 33 H SER 33 -12.481 -7.577 0.203
239 HA SER 33 HA SER 33 -10.943 -9.866 1.121
240 HB2 SER 33 HB2 SER 33 -12.211 -7.911 3.073
241 HB3 SER 33 HB3 SER 33 -11.537 -9.481 3.503
242 HG SER 33 HG SER 33 -9.796 -7.940 2.063
Start of MODEL 28
1 HA ALA 1 HA ALA 1 -16.748 1.543 -0.743
2 HB1 ALA 1 HB1 ALA 1 -17.504 0.475 1.335
3 HB2 ALA 1 HB2 ALA 1 -17.806 2.212 1.333
4 HB3 ALA 1 HB3 ALA 1 -16.457 1.554 2.258
5 H SER 2 H SER 2 -13.933 2.273 -0.929
6 HA SER 2 HA SER 2 -14.090 5.061 -1.013
7 HB2 SER 2 HB2 SER 2 -14.063 4.706 1.546
8 HB3 SER 2 HB3 SER 2 -12.395 4.176 1.338
9 HG SER 2 HG SER 2 -12.848 6.505 0.031
10 HA PRO 3 HA PRO 3 -10.803 2.651 -3.347
11 HB2 PRO 3 HB2 PRO 3 -11.445 4.891 -5.215
12 HB3 PRO 3 HB3 PRO 3 -11.160 3.171 -5.568
13 HG2 PRO 3 HG2 PRO 3 -13.622 4.120 -5.596
14 HG3 PRO 3 HG3 PRO 3 -13.280 2.547 -4.844
15 HD2 PRO 3 HD2 PRO 3 -13.793 5.198 -3.502
16 HD3 PRO 3 HD3 PRO 3 -14.327 3.554 -3.031
17 H GLN 4 H GLN 4 -11.148 6.106 -2.737
18 HA GLN 4 HA GLN 4 -8.560 6.871 -3.512
19 HB2 GLN 4 HB2 GLN 4 -10.338 8.509 -3.264
20 HB3 GLN 4 HB3 GLN 4 -10.469 8.148 -1.547
21 HG2 GLN 4 HG2 GLN 4 -8.187 8.995 -1.208
22 HG3 GLN 4 HG3 GLN 4 -8.087 9.394 -2.922
23 HE21 GLN 4 HE21 GLN 4 -11.010 9.798 -1.030
24 HE22 GLN 4 HE22 GLN 4 -11.002 11.531 -1.051
25 H GLN 5 H GLN 5 -9.884 5.951 -0.348
26 HA GLN 5 HA GLN 5 -7.484 6.529 1.043
27 HB2 GLN 5 HB2 GLN 5 -8.484 5.677 2.971
28 HB3 GLN 5 HB3 GLN 5 -9.837 6.298 2.042
29 HG2 GLN 5 HG2 GLN 5 -10.416 4.066 1.325
30 HG3 GLN 5 HG3 GLN 5 -8.994 3.410 2.129
31 HE21 GLN 5 HE21 GLN 5 -9.286 5.168 4.452
32 HE22 GLN 5 HE22 GLN 5 -10.611 4.526 5.365
33 H ALA 6 H ALA 6 -8.709 3.702 -0.569
34 HA ALA 6 HA ALA 6 -6.730 1.895 0.371
35 HB1 ALA 6 HB1 ALA 6 -8.802 1.085 -0.654
36 HB2 ALA 6 HB2 ALA 6 -7.382 0.461 -1.498
37 HB3 ALA 6 HB3 ALA 6 -8.310 1.785 -2.198
38 H LYS 7 H LYS 7 -6.938 4.066 -2.406
39 HA LYS 7 HA LYS 7 -4.537 3.262 -3.641
40 HB2 LYS 7 HB2 LYS 7 -6.256 4.675 -4.748
41 HB3 LYS 7 HB3 LYS 7 -5.814 6.007 -3.690
42 HG2 LYS 7 HG2 LYS 7 -4.803 6.245 -5.894
43 HG3 LYS 7 HG3 LYS 7 -3.567 6.048 -4.624
44 HD2 LYS 7 HD2 LYS 7 -3.331 3.678 -5.211
45 HD3 LYS 7 HD3 LYS 7 -4.595 3.833 -6.436
46 HE2 LYS 7 HE2 LYS 7 -1.916 5.234 -6.436
47 HE3 LYS 7 HE3 LYS 7 -2.381 3.890 -7.478
48 HZ1 LYS 7 HZ1 LYS 7 -4.188 5.377 -8.331
49 HZ2 LYS 7 HZ2 LYS 7 -2.616 5.850 -8.732
50 HZ3 LYS 7 HZ3 LYS 7 -3.449 6.653 -7.499
51 H TYR 8 H TYR 8 -5.242 5.546 -1.074
52 HA TYR 8 HA TYR 8 -2.705 6.719 -0.832
53 HB2 TYR 8 HB2 TYR 8 -4.704 7.615 0.290
54 HB3 TYR 8 HB3 TYR 8 -4.773 6.181 1.317
55 HD1 TYR 8 HD1 TYR 8 -2.648 9.107 0.483
56 HD2 TYR 8 HD2 TYR 8 -3.611 6.116 3.348
57 HE1 TYR 8 HE1 TYR 8 -1.220 10.237 2.133
58 HE2 TYR 8 HE2 TYR 8 -2.183 7.235 5.006
59 HH TYR 8 HH TYR 8 -0.312 8.778 5.086
60 H CYS 9 H CYS 9 -4.082 3.813 0.650
61 HA CYS 9 HA CYS 9 -1.886 3.192 2.306
62 HB2 CYS 9 HB2 CYS 9 -4.187 2.177 2.467
63 HB3 CYS 9 HB3 CYS 9 -3.809 1.206 1.040
64 H TYR 10 H TYR 10 -2.707 2.167 -0.985
65 HA TYR 10 HA TYR 10 -0.424 0.515 -1.343
66 HB2 TYR 10 HB2 TYR 10 -2.445 1.715 -3.228
67 HB3 TYR 10 HB3 TYR 10 -1.020 0.869 -3.842
68 HD1 TYR 10 HD1 TYR 10 -0.686 -1.505 -3.324
69 HD2 TYR 10 HD2 TYR 10 -4.291 0.502 -2.299
70 HE1 TYR 10 HE1 TYR 10 -1.806 -3.663 -3.065
71 HE2 TYR 10 HE2 TYR 10 -5.422 -1.656 -2.035
72 HH TYR 10 HH TYR 10 -3.735 -4.618 -1.911
73 H GLU 11 H GLU 11 -1.060 3.921 -2.013
74 HA GLU 11 HA GLU 11 1.310 4.274 -3.538
75 HB2 GLU 11 HB2 GLU 11 -0.708 5.733 -3.742
76 HB3 GLU 11 HB3 GLU 11 -0.340 6.401 -2.139
77 HG2 GLU 11 HG2 GLU 11 1.600 7.467 -2.913
78 HG3 GLU 11 HG3 GLU 11 1.621 6.525 -4.421
79 H GLN 12 H GLN 12 0.489 4.814 -0.112
80 HA GLN 12 HA GLN 12 2.966 5.967 0.594
81 HB2 GLN 12 HB2 GLN 12 0.939 4.455 2.254
82 HB3 GLN 12 HB3 GLN 12 2.394 5.167 2.922
83 HG2 GLN 12 HG2 GLN 12 0.334 6.708 1.398
84 HG3 GLN 12 HG3 GLN 12 0.351 6.543 3.149
85 HE21 GLN 12 HE21 GLN 12 3.294 6.596 3.225
86 HE22 GLN 12 HE22 GLN 12 3.736 8.258 2.984
87 H CYS 13 H CYS 13 2.023 2.726 -0.090
88 HA CYS 13 HA CYS 13 4.005 1.324 1.285
89 HB2 CYS 13 HB2 CYS 13 2.497 0.737 -1.261
90 HB3 CYS 13 HB3 CYS 13 3.730 -0.360 -0.648
91 H ASN 14 H ASN 14 4.085 2.638 -2.050
92 HA ASN 14 HA ASN 14 6.854 1.874 -2.311
93 HB2 ASN 14 HB2 ASN 14 6.718 3.057 -4.513
94 HB3 ASN 14 HB3 ASN 14 5.515 1.794 -4.302
95 HD21 ASN 14 HD21 ASN 14 6.001 5.298 -4.393
96 HD22 ASN 14 HD22 ASN 14 4.336 5.681 -4.675
97 H VAL 15 H VAL 15 5.075 4.738 -1.425
98 HA VAL 15 HA VAL 15 7.149 6.612 -1.677
99 HB VAL 15 HB VAL 15 4.847 6.569 0.286
100 HG11 VAL 15 HG11 VAL 15 6.762 8.812 -0.375
101 HG12 VAL 15 HG12 VAL 15 6.655 7.951 1.160
102 HG13 VAL 15 HG13 VAL 15 5.315 8.965 0.621
103 HG21 VAL 15 HG21 VAL 15 4.136 6.732 -2.045
104 HG22 VAL 15 HG22 VAL 15 5.244 8.077 -2.302
105 HG23 VAL 15 HG23 VAL 15 3.872 8.263 -1.212
106 H ASN 16 H ASN 16 6.155 4.613 1.133
107 HA ASN 16 HA ASN 16 8.349 5.616 2.706
108 HB2 ASN 16 HB2 ASN 16 6.534 3.227 3.190
109 HB3 ASN 16 HB3 ASN 16 7.651 3.928 4.367
110 HD21 ASN 16 HD21 ASN 16 7.095 6.666 3.594
111 HD22 ASN 16 HD22 ASN 16 5.522 7.028 4.215
112 H LYS 17 H LYS 17 7.711 2.153 2.254
113 HA LYS 17 HA LYS 17 9.490 1.567 0.269
114 HB2 LYS 17 HB2 LYS 17 11.238 2.420 1.866
115 HB3 LYS 17 HB3 LYS 17 10.840 1.052 2.918
116 HG2 LYS 17 HG2 LYS 17 11.466 -0.507 1.137
117 HG3 LYS 17 HG3 LYS 17 11.860 0.852 0.081
118 HD2 LYS 17 HD2 LYS 17 13.626 1.572 1.536
119 HD3 LYS 17 HD3 LYS 17 13.187 0.364 2.761
120 HE2 LYS 17 HE2 LYS 17 14.213 -0.192 -0.031
121 HE3 LYS 17 HE3 LYS 17 15.135 -0.352 1.464
122 HZ1 LYS 17 HZ1 LYS 17 12.719 -1.922 0.737
123 HZ2 LYS 17 HZ2 LYS 17 13.584 -2.069 2.182
124 HZ3 LYS 17 HZ3 LYS 17 14.314 -2.485 0.716
125 H VAL 18 H VAL 18 7.599 0.102 -0.024
126 HA VAL 18 HA VAL 18 8.234 -2.426 1.296
127 HB VAL 18 HB VAL 18 6.318 -2.767 2.419
128 HG11 VAL 18 HG11 VAL 18 5.031 -0.838 3.135
129 HG12 VAL 18 HG12 VAL 18 5.707 0.122 1.820
130 HG13 VAL 18 HG13 VAL 18 6.756 -0.470 3.104
131 HG21 VAL 18 HG21 VAL 18 4.828 -1.640 0.061
132 HG22 VAL 18 HG22 VAL 18 4.056 -2.356 1.478
133 HG23 VAL 18 HG23 VAL 18 5.101 -3.337 0.443
134 HA PRO 19 HA PRO 19 7.703 -4.027 -2.848
135 HB2 PRO 19 HB2 PRO 19 6.979 -6.540 -1.462
136 HB3 PRO 19 HB3 PRO 19 8.284 -6.236 -2.623
137 HG2 PRO 19 HG2 PRO 19 8.799 -6.623 -0.021
138 HG3 PRO 19 HG3 PRO 19 9.742 -5.492 -1.010
139 HD2 PRO 19 HD2 PRO 19 7.592 -4.905 0.994
140 HD3 PRO 19 HD3 PRO 19 9.096 -4.022 0.635
141 H PHE 20 H PHE 20 5.965 -4.458 -4.199
142 HA PHE 20 HA PHE 20 3.448 -3.612 -3.311
143 HB2 PHE 20 HB2 PHE 20 4.255 -3.472 -5.677
144 HB3 PHE 20 HB3 PHE 20 3.976 -5.205 -5.820
145 HD1 PHE 20 HD1 PHE 20 1.761 -6.102 -5.996
146 HD2 PHE 20 HD2 PHE 20 2.384 -1.934 -5.423
147 HE1 PHE 20 HE1 PHE 20 -0.591 -5.675 -6.575
148 HE2 PHE 20 HE2 PHE 20 0.032 -1.498 -5.997
149 HZ PHE 20 HZ PHE 20 -1.458 -3.370 -6.571
150 H ASP 21 H ASP 21 4.725 -6.875 -3.783
151 HA ASP 21 HA ASP 21 2.285 -8.241 -3.440
152 HB2 ASP 21 HB2 ASP 21 3.596 -10.222 -2.995
153 HB3 ASP 21 HB3 ASP 21 4.351 -9.320 -4.304
154 H GLN 22 H GLN 22 4.679 -7.074 -1.133
155 HA GLN 22 HA GLN 22 3.381 -8.079 1.181
156 HB2 GLN 22 HB2 GLN 22 5.738 -7.410 1.229
157 HB3 GLN 22 HB3 GLN 22 5.294 -5.748 0.870
158 HG2 GLN 22 HG2 GLN 22 4.024 -5.686 3.001
159 HG3 GLN 22 HG3 GLN 22 4.651 -7.300 3.362
160 HE21 GLN 22 HE21 GLN 22 5.034 -4.777 4.786
161 HE22 GLN 22 HE22 GLN 22 6.748 -4.530 4.860
162 H CYS 23 H CYS 23 3.181 -5.065 -0.647
163 HA CYS 23 HA CYS 23 1.498 -3.675 1.151
164 HB2 CYS 23 HB2 CYS 23 2.708 -2.668 -0.856
165 HB3 CYS 23 HB3 CYS 23 1.417 -3.343 -1.853
166 H TYR 24 H TYR 24 0.821 -5.868 -1.520
167 HA TYR 24 HA TYR 24 -1.978 -5.705 -1.442
168 HB2 TYR 24 HB2 TYR 24 -0.774 -6.801 -3.292
169 HB3 TYR 24 HB3 TYR 24 -0.227 -8.071 -2.185
170 HD1 TYR 24 HD1 TYR 24 -1.454 -10.017 -2.012
171 HD2 TYR 24 HD2 TYR 24 -3.364 -6.513 -3.475
172 HE1 TYR 24 HE1 TYR 24 -3.467 -11.326 -2.502
173 HE2 TYR 24 HE2 TYR 24 -5.389 -7.811 -3.964
174 HH TYR 24 HH TYR 24 -6.067 -10.084 -4.374
175 H GLN 25 H GLN 25 0.263 -7.225 0.711
176 HA GLN 25 HA GLN 25 -1.716 -9.011 1.817
177 HB2 GLN 25 HB2 GLN 25 1.114 -8.310 2.581
178 HB3 GLN 25 HB3 GLN 25 0.096 -9.277 3.642
179 HG2 GLN 25 HG2 GLN 25 0.740 -10.005 0.775
180 HG3 GLN 25 HG3 GLN 25 1.570 -10.646 2.192
181 HE21 GLN 25 HE21 GLN 25 -1.359 -10.643 0.342
182 HE22 GLN 25 HE22 GLN 25 -2.094 -12.006 1.116
183 H MET 26 H MET 26 -0.482 -5.819 2.480
184 HA MET 26 HA MET 26 -1.786 -5.725 5.068
185 HB2 MET 26 HB2 MET 26 0.394 -4.719 4.946
186 HB3 MET 26 HB3 MET 26 -0.075 -3.757 3.558
187 HG2 MET 26 HG2 MET 26 -1.632 -2.485 4.968
188 HG3 MET 26 HG3 MET 26 -1.133 -3.441 6.364
189 HE1 MET 26 HE1 MET 26 0.120 -0.964 3.563
190 HE2 MET 26 HE2 MET 26 1.348 -2.228 3.504
191 HE3 MET 26 HE3 MET 26 1.764 -0.625 4.102
192 H CYS 27 H CYS 27 -2.079 -4.045 1.922
193 HA CYS 27 HA CYS 27 -4.220 -2.416 3.020
194 HB2 CYS 27 HB2 CYS 27 -3.078 -2.409 0.208
195 HB3 CYS 27 HB3 CYS 27 -4.149 -1.188 0.923
196 H SER 28 H SER 28 -4.139 -5.421 1.384
197 HA SER 28 HA SER 28 -6.412 -5.056 -0.238
198 HB2 SER 28 HB2 SER 28 -6.565 -7.522 -0.370
199 HB3 SER 28 HB3 SER 28 -4.948 -6.901 -0.723
200 HG SER 28 HG SER 28 -4.214 -8.006 0.884
201 HA PRO 29 HA PRO 29 -9.021 -6.943 3.466
202 HB2 PRO 29 HB2 PRO 29 -7.465 -5.761 5.705
203 HB3 PRO 29 HB3 PRO 29 -8.334 -7.307 5.630
204 HG2 PRO 29 HG2 PRO 29 -5.684 -7.291 5.505
205 HG3 PRO 29 HG3 PRO 29 -6.623 -8.363 4.433
206 HD2 PRO 29 HD2 PRO 29 -5.310 -5.726 3.798
207 HD3 PRO 29 HD3 PRO 29 -5.350 -7.230 2.841
208 H LEU 30 H LEU 30 -7.449 -3.912 3.182
209 HA LEU 30 HA LEU 30 -9.442 -2.327 4.493
210 HB2 LEU 30 HB2 LEU 30 -6.991 -1.700 4.006
211 HB3 LEU 30 HB3 LEU 30 -7.520 -1.418 2.339
212 HG LEU 30 HG LEU 30 -8.509 0.087 4.788
213 HD11 LEU 30 HD11 LEU 30 -6.218 0.643 4.305
214 HD12 LEU 30 HD12 LEU 30 -7.250 1.966 3.760
215 HD13 LEU 30 HD13 LEU 30 -6.584 0.827 2.590
216 HD21 LEU 30 HD21 LEU 30 -9.013 0.640 1.858
217 HD22 LEU 30 HD22 LEU 30 -9.616 1.570 3.230
218 HD23 LEU 30 HD23 LEU 30 -10.184 -0.079 2.963
219 H GLU 31 H GLU 31 -8.667 -3.169 1.152
220 HA GLU 31 HA GLU 31 -10.913 -1.682 0.122
221 HB2 GLU 31 HB2 GLU 31 -8.597 -2.012 -0.988
222 HB3 GLU 31 HB3 GLU 31 -9.209 -3.603 -1.456
223 HG2 GLU 31 HG2 GLU 31 -10.580 -1.013 -2.193
224 HG3 GLU 31 HG3 GLU 31 -9.372 -1.810 -3.209
225 H ARG 32 H ARG 32 -9.971 -5.079 -0.445
226 HA ARG 32 HA ARG 32 -12.565 -6.014 0.450
227 HB2 ARG 32 HB2 ARG 32 -11.640 -6.392 -2.416
228 HB3 ARG 32 HB3 ARG 32 -12.892 -7.385 -1.671
229 HG2 ARG 32 HG2 ARG 32 -13.056 -4.381 -2.059
230 HG3 ARG 32 HG3 ARG 32 -13.791 -5.576 -3.127
231 HD2 ARG 32 HD2 ARG 32 -14.534 -4.851 -0.306
232 HD3 ARG 32 HD3 ARG 32 -15.532 -4.872 -1.750
233 HE ARG 32 HE ARG 32 -14.830 -7.472 -1.457
234 HH11 ARG 32 HH11 ARG 32 -16.264 -5.111 0.686
235 HH12 ARG 32 HH12 ARG 32 -17.195 -6.283 1.560
236 HH21 ARG 32 HH21 ARG 32 -16.036 -9.025 -0.298
237 HH22 ARG 32 HH22 ARG 32 -17.072 -8.511 0.998
238 H SER 33 H SER 33 -12.318 -7.842 1.519
239 HA SER 33 HA SER 33 -10.587 -9.932 0.596
240 HB2 SER 33 HB2 SER 33 -8.997 -8.401 1.843
241 HB3 SER 33 HB3 SER 33 -9.939 -8.719 3.301
242 HG SER 33 HG SER 33 -8.275 -10.444 1.833
Start of MODEL 29
1 HA ALA 1 HA ALA 1 -16.646 2.110 2.163
2 HB1 ALA 1 HB1 ALA 1 -18.495 2.376 3.750
3 HB2 ALA 1 HB2 ALA 1 -18.419 3.718 2.606
4 HB3 ALA 1 HB3 ALA 1 -17.831 3.928 4.255
5 H SER 2 H SER 2 -14.217 2.770 1.975
6 HA SER 2 HA SER 2 -14.151 5.566 1.218
7 HB2 SER 2 HB2 SER 2 -13.515 5.498 3.704
8 HB3 SER 2 HB3 SER 2 -12.087 4.586 3.218
9 HG SER 2 HG SER 2 -12.732 7.102 2.095
10 HA PRO 3 HA PRO 3 -11.832 2.377 -1.394
11 HB2 PRO 3 HB2 PRO 3 -13.073 4.106 -3.481
12 HB3 PRO 3 HB3 PRO 3 -12.906 2.336 -3.429
13 HG2 PRO 3 HG2 PRO 3 -15.257 3.446 -2.958
14 HG3 PRO 3 HG3 PRO 3 -14.694 2.091 -1.956
15 HD2 PRO 3 HD2 PRO 3 -14.722 5.036 -1.287
16 HD3 PRO 3 HD3 PRO 3 -15.138 3.627 -0.260
17 H GLN 4 H GLN 4 -11.927 5.855 -1.230
18 HA GLN 4 HA GLN 4 -9.695 6.294 -2.960
19 HB2 GLN 4 HB2 GLN 4 -11.057 8.043 -0.921
20 HB3 GLN 4 HB3 GLN 4 -9.634 8.571 -1.806
21 HG2 GLN 4 HG2 GLN 4 -12.055 7.579 -3.273
22 HG3 GLN 4 HG3 GLN 4 -11.973 9.239 -2.689
23 HE21 GLN 4 HE21 GLN 4 -9.094 7.570 -3.763
24 HE22 GLN 4 HE22 GLN 4 -8.891 8.467 -5.227
25 H GLN 5 H GLN 5 -10.068 5.823 0.511
26 HA GLN 5 HA GLN 5 -7.441 6.549 1.222
27 HB2 GLN 5 HB2 GLN 5 -7.851 5.685 3.346
28 HB3 GLN 5 HB3 GLN 5 -9.458 6.114 2.783
29 HG2 GLN 5 HG2 GLN 5 -9.912 3.796 2.225
30 HG3 GLN 5 HG3 GLN 5 -8.275 3.345 2.692
31 HE21 GLN 5 HE21 GLN 5 -8.328 5.207 4.991
32 HE22 GLN 5 HE22 GLN 5 -9.299 4.426 6.190
33 H ALA 6 H ALA 6 -8.785 3.692 -0.147
34 HA ALA 6 HA ALA 6 -6.690 1.878 0.320
35 HB1 ALA 6 HB1 ALA 6 -7.545 0.667 -1.648
36 HB2 ALA 6 HB2 ALA 6 -8.589 2.036 -2.020
37 HB3 ALA 6 HB3 ALA 6 -8.830 1.123 -0.530
38 H LYS 7 H LYS 7 -7.198 4.310 -2.176
39 HA LYS 7 HA LYS 7 -4.957 3.649 -3.770
40 HB2 LYS 7 HB2 LYS 7 -6.774 5.062 -4.625
41 HB3 LYS 7 HB3 LYS 7 -6.392 6.299 -3.435
42 HG2 LYS 7 HG2 LYS 7 -5.544 6.917 -5.615
43 HG3 LYS 7 HG3 LYS 7 -4.205 6.645 -4.471
44 HD2 LYS 7 HD2 LYS 7 -4.034 4.298 -5.419
45 HD3 LYS 7 HD3 LYS 7 -5.162 4.800 -6.685
46 HE2 LYS 7 HE2 LYS 7 -2.831 4.979 -7.451
47 HE3 LYS 7 HE3 LYS 7 -3.599 6.566 -7.367
48 HZ1 LYS 7 HZ1 LYS 7 -2.517 6.926 -5.225
49 HZ2 LYS 7 HZ2 LYS 7 -1.377 6.630 -6.438
50 HZ3 LYS 7 HZ3 LYS 7 -1.770 5.412 -5.334
51 H TYR 8 H TYR 8 -5.383 5.601 -0.912
52 HA TYR 8 HA TYR 8 -2.822 6.823 -0.912
53 HB2 TYR 8 HB2 TYR 8 -4.789 7.635 0.403
54 HB3 TYR 8 HB3 TYR 8 -4.619 6.226 1.452
55 HD1 TYR 8 HD1 TYR 8 -3.031 6.197 3.213
56 HD2 TYR 8 HD2 TYR 8 -2.998 9.360 0.368
57 HE1 TYR 8 HE1 TYR 8 -1.482 7.458 4.647
58 HE2 TYR 8 HE2 TYR 8 -1.447 10.631 1.791
59 HH TYR 8 HH TYR 8 -0.807 10.747 4.171
60 H CYS 9 H CYS 9 -4.134 3.876 0.537
61 HA CYS 9 HA CYS 9 -1.829 3.092 1.952
62 HB2 CYS 9 HB2 CYS 9 -4.109 2.095 2.257
63 HB3 CYS 9 HB3 CYS 9 -3.913 1.259 0.711
64 H TYR 10 H TYR 10 -2.966 2.217 -1.305
65 HA TYR 10 HA TYR 10 -0.727 0.576 -1.910
66 HB2 TYR 10 HB2 TYR 10 -2.891 1.839 -3.595
67 HB3 TYR 10 HB3 TYR 10 -1.548 0.963 -4.333
68 HD1 TYR 10 HD1 TYR 10 -4.729 0.673 -2.658
69 HD2 TYR 10 HD2 TYR 10 -1.204 -1.442 -3.746
70 HE1 TYR 10 HE1 TYR 10 -5.913 -1.453 -2.342
71 HE2 TYR 10 HE2 TYR 10 -2.375 -3.568 -3.433
72 HH TYR 10 HH TYR 10 -5.764 -3.778 -3.071
73 H GLU 11 H GLU 11 -1.172 3.987 -1.959
74 HA GLU 11 HA GLU 11 1.037 4.450 -3.746
75 HB2 GLU 11 HB2 GLU 11 -0.959 6.029 -3.408
76 HB3 GLU 11 HB3 GLU 11 -0.162 6.487 -1.885
77 HG2 GLU 11 HG2 GLU 11 0.340 8.043 -3.715
78 HG3 GLU 11 HG3 GLU 11 1.792 7.235 -3.078
79 H GLN 12 H GLN 12 0.447 5.160 -0.303
80 HA GLN 12 HA GLN 12 3.097 5.989 0.153
81 HB2 GLN 12 HB2 GLN 12 0.870 5.260 2.046
82 HB3 GLN 12 HB3 GLN 12 2.422 5.880 2.583
83 HG2 GLN 12 HG2 GLN 12 0.891 7.376 0.524
84 HG3 GLN 12 HG3 GLN 12 0.406 7.478 2.210
85 HE21 GLN 12 HE21 GLN 12 3.740 7.013 1.401
86 HE22 GLN 12 HE22 GLN 12 4.269 8.609 1.816
87 H CYS 13 H CYS 13 1.688 2.849 0.113
88 HA CYS 13 HA CYS 13 3.370 1.503 1.899
89 HB2 CYS 13 HB2 CYS 13 2.798 -0.530 0.679
90 HB3 CYS 13 HB3 CYS 13 1.362 0.493 0.777
91 H ASN 14 H ASN 14 3.802 1.964 -1.617
92 HA ASN 14 HA ASN 14 6.485 0.955 -1.580
93 HB2 ASN 14 HB2 ASN 14 5.044 2.588 -3.685
94 HB3 ASN 14 HB3 ASN 14 6.611 1.832 -3.912
95 HD21 ASN 14 HD21 ASN 14 5.871 -0.591 -2.421
96 HD22 ASN 14 HD22 ASN 14 4.810 -1.467 -3.475
97 H VAL 15 H VAL 15 5.040 4.119 -1.251
98 HA VAL 15 HA VAL 15 7.336 5.664 -1.771
99 HB VAL 15 HB VAL 15 4.975 6.330 -0.001
100 HG11 VAL 15 HG11 VAL 15 5.646 8.669 -0.269
101 HG12 VAL 15 HG12 VAL 15 7.066 8.160 -1.182
102 HG13 VAL 15 HG13 VAL 15 6.913 7.731 0.521
103 HG21 VAL 15 HG21 VAL 15 4.221 7.662 -1.960
104 HG22 VAL 15 HG22 VAL 15 4.261 5.929 -2.277
105 HG23 VAL 15 HG23 VAL 15 5.542 6.966 -2.895
106 H ASN 16 H ASN 16 6.076 4.163 1.184
107 HA ASN 16 HA ASN 16 8.144 5.247 2.845
108 HB2 ASN 16 HB2 ASN 16 6.398 2.797 3.284
109 HB3 ASN 16 HB3 ASN 16 7.419 3.566 4.503
110 HD21 ASN 16 HD21 ASN 16 6.748 6.266 3.557
111 HD22 ASN 16 HD22 ASN 16 5.140 6.561 4.127
112 H LYS 17 H LYS 17 7.598 1.778 2.304
113 HA LYS 17 HA LYS 17 9.705 1.232 0.625
114 HB2 LYS 17 HB2 LYS 17 11.163 2.049 2.461
115 HB3 LYS 17 HB3 LYS 17 10.507 0.783 3.509
116 HG2 LYS 17 HG2 LYS 17 11.457 -0.942 2.108
117 HG3 LYS 17 HG3 LYS 17 12.004 0.264 0.936
118 HD2 LYS 17 HD2 LYS 17 13.528 1.231 2.530
119 HD3 LYS 17 HD3 LYS 17 12.923 0.184 3.832
120 HE2 LYS 17 HE2 LYS 17 13.750 -1.781 2.602
121 HE3 LYS 17 HE3 LYS 17 14.336 -0.729 1.314
122 HZ1 LYS 17 HZ1 LYS 17 16.106 -1.364 2.838
123 HZ2 LYS 17 HZ2 LYS 17 15.271 -0.671 4.130
124 HZ3 LYS 17 HZ3 LYS 17 15.848 0.304 2.879
125 H VAL 18 H VAL 18 7.900 -0.201 -0.036
126 HA VAL 18 HA VAL 18 8.182 -2.754 1.348
127 HB VAL 18 HB VAL 18 5.934 -3.248 1.690
128 HG11 VAL 18 HG11 VAL 18 6.062 -0.295 2.292
129 HG12 VAL 18 HG12 VAL 18 6.661 -1.597 3.321
130 HG13 VAL 18 HG13 VAL 18 4.932 -1.456 2.993
131 HG21 VAL 18 HG21 VAL 18 5.155 -2.629 -0.515
132 HG22 VAL 18 HG22 VAL 18 5.147 -0.924 -0.054
133 HG23 VAL 18 HG23 VAL 18 4.048 -2.058 0.737
134 HA PRO 19 HA PRO 19 8.058 -4.280 -2.892
135 HB2 PRO 19 HB2 PRO 19 7.337 -6.840 -1.629
136 HB3 PRO 19 HB3 PRO 19 8.740 -6.447 -2.637
137 HG2 PRO 19 HG2 PRO 19 8.991 -6.897 -0.002
138 HG3 PRO 19 HG3 PRO 19 9.992 -5.707 -0.857
139 HD2 PRO 19 HD2 PRO 19 7.592 -5.242 0.886
140 HD3 PRO 19 HD3 PRO 19 9.117 -4.329 0.770
141 H PHE 20 H PHE 20 6.409 -5.108 -4.352
142 HA PHE 20 HA PHE 20 3.850 -4.185 -3.931
143 HB2 PHE 20 HB2 PHE 20 4.650 -4.815 -6.163
144 HB3 PHE 20 HB3 PHE 20 4.637 -6.514 -5.703
145 HD1 PHE 20 HD1 PHE 20 2.654 -7.796 -5.813
146 HD2 PHE 20 HD2 PHE 20 2.486 -3.568 -6.270
147 HE1 PHE 20 HE1 PHE 20 0.310 -7.972 -6.534
148 HE2 PHE 20 HE2 PHE 20 0.139 -3.738 -6.989
149 HZ PHE 20 HZ PHE 20 -0.953 -5.940 -7.119
150 H ASP 21 H ASP 21 5.027 -7.494 -3.347
151 HA ASP 21 HA ASP 21 2.558 -8.646 -2.700
152 HB2 ASP 21 HB2 ASP 21 3.783 -10.439 -1.666
153 HB3 ASP 21 HB3 ASP 21 4.678 -9.928 -3.093
154 H GLN 22 H GLN 22 4.838 -6.841 -0.717
155 HA GLN 22 HA GLN 22 3.452 -7.225 1.742
156 HB2 GLN 22 HB2 GLN 22 5.817 -6.538 1.640
157 HB3 GLN 22 HB3 GLN 22 5.339 -5.009 0.915
158 HG2 GLN 22 HG2 GLN 22 5.710 -4.565 3.188
159 HG3 GLN 22 HG3 GLN 22 3.954 -4.600 2.975
160 HE21 GLN 22 HE21 GLN 22 5.981 -7.455 3.069
161 HE22 GLN 22 HE22 GLN 22 5.388 -8.054 4.582
162 H CYS 23 H CYS 23 3.406 -4.732 -0.774
163 HA CYS 23 HA CYS 23 1.668 -2.947 0.545
164 HB2 CYS 23 HB2 CYS 23 2.977 -2.402 -1.565
165 HB3 CYS 23 HB3 CYS 23 1.785 -3.350 -2.457
166 H TYR 24 H TYR 24 1.023 -5.598 -1.713
167 HA TYR 24 HA TYR 24 -1.771 -5.354 -1.672
168 HB2 TYR 24 HB2 TYR 24 -0.596 -6.732 -3.349
169 HB3 TYR 24 HB3 TYR 24 -0.103 -7.860 -2.075
170 HD1 TYR 24 HD1 TYR 24 -3.070 -6.470 -3.819
171 HD2 TYR 24 HD2 TYR 24 -1.523 -9.610 -1.407
172 HE1 TYR 24 HE1 TYR 24 -5.150 -7.728 -4.133
173 HE2 TYR 24 HE2 TYR 24 -3.599 -10.879 -1.718
174 HH TYR 24 HH TYR 24 -5.946 -10.024 -4.042
175 H GLN 25 H GLN 25 0.456 -7.098 0.479
176 HA GLN 25 HA GLN 25 -1.655 -8.626 1.642
177 HB2 GLN 25 HB2 GLN 25 -0.021 -9.811 2.691
178 HB3 GLN 25 HB3 GLN 25 1.056 -8.940 1.609
179 HG2 GLN 25 HG2 GLN 25 1.667 -7.401 3.311
180 HG3 GLN 25 HG3 GLN 25 0.361 -7.948 4.363
181 HE21 GLN 25 HE21 GLN 25 3.197 -7.833 4.934
182 HE22 GLN 25 HE22 GLN 25 3.683 -9.455 5.310
183 H MET 26 H MET 26 -0.343 -5.495 2.269
184 HA MET 26 HA MET 26 -1.665 -5.328 4.848
185 HB2 MET 26 HB2 MET 26 0.426 -4.197 4.769
186 HB3 MET 26 HB3 MET 26 0.019 -3.414 3.251
187 HG2 MET 26 HG2 MET 26 -1.706 -2.089 4.424
188 HG3 MET 26 HG3 MET 26 -1.207 -2.833 5.943
189 HE1 MET 26 HE1 MET 26 1.644 -0.192 3.440
190 HE2 MET 26 HE2 MET 26 0.101 -0.808 2.845
191 HE3 MET 26 HE3 MET 26 1.444 -1.914 3.135
192 H CYS 27 H CYS 27 -2.005 -3.885 1.607
193 HA CYS 27 HA CYS 27 -4.223 -2.270 2.513
194 HB2 CYS 27 HB2 CYS 27 -3.176 -2.600 -0.316
195 HB3 CYS 27 HB3 CYS 27 -4.235 -1.314 0.293
196 H SER 28 H SER 28 -3.929 -5.388 0.976
197 HA SER 28 HA SER 28 -6.374 -5.360 -0.394
198 HB2 SER 28 HB2 SER 28 -6.250 -7.845 -0.379
199 HB3 SER 28 HB3 SER 28 -4.783 -7.053 -0.962
200 HG SER 28 HG SER 28 -3.741 -7.608 0.861
201 HA PRO 29 HA PRO 29 -8.412 -7.240 3.685
202 HB2 PRO 29 HB2 PRO 29 -6.742 -5.667 5.592
203 HB3 PRO 29 HB3 PRO 29 -7.489 -7.264 5.803
204 HG2 PRO 29 HG2 PRO 29 -4.883 -7.101 5.365
205 HG3 PRO 29 HG3 PRO 29 -5.848 -8.349 4.532
206 HD2 PRO 29 HD2 PRO 29 -4.796 -5.736 3.465
207 HD3 PRO 29 HD3 PRO 29 -4.860 -7.336 2.682
208 H LEU 30 H LEU 30 -7.080 -4.090 3.142
209 HA LEU 30 HA LEU 30 -9.226 -2.635 4.419
210 HB2 LEU 30 HB2 LEU 30 -6.788 -1.874 4.184
211 HB3 LEU 30 HB3 LEU 30 -7.149 -1.595 2.473
212 HG LEU 30 HG LEU 30 -8.411 -0.147 4.830
213 HD11 LEU 30 HD11 LEU 30 -6.097 0.489 4.452
214 HD12 LEU 30 HD12 LEU 30 -7.174 1.786 3.935
215 HD13 LEU 30 HD13 LEU 30 -6.423 0.733 2.736
216 HD21 LEU 30 HD21 LEU 30 -9.466 1.295 3.187
217 HD22 LEU 30 HD22 LEU 30 -9.969 -0.377 2.923
218 HD23 LEU 30 HD23 LEU 30 -8.761 0.359 1.868
219 H GLU 31 H GLU 31 -8.016 -2.951 1.112
220 HA GLU 31 HA GLU 31 -10.154 -1.567 -0.092
221 HB2 GLU 31 HB2 GLU 31 -7.860 -1.910 -1.069
222 HB3 GLU 31 HB3 GLU 31 -8.314 -3.587 -1.394
223 HG2 GLU 31 HG2 GLU 31 -9.936 -1.316 -2.508
224 HG3 GLU 31 HG3 GLU 31 -8.455 -1.859 -3.305
225 H ARG 32 H ARG 32 -9.548 -5.026 0.338
226 HA ARG 32 HA ARG 32 -12.318 -5.491 -0.549
227 HB2 ARG 32 HB2 ARG 32 -10.548 -6.406 -2.115
228 HB3 ARG 32 HB3 ARG 32 -10.008 -7.447 -0.793
229 HG2 ARG 32 HG2 ARG 32 -11.401 -8.729 -2.295
230 HG3 ARG 32 HG3 ARG 32 -12.233 -8.527 -0.752
231 HD2 ARG 32 HD2 ARG 32 -13.455 -8.173 -3.079
232 HD3 ARG 32 HD3 ARG 32 -13.879 -7.230 -1.655
233 HE ARG 32 HE ARG 32 -11.935 -5.753 -2.891
234 HH11 ARG 32 HH11 ARG 32 -14.991 -7.111 -3.933
235 HH12 ARG 32 HH12 ARG 32 -15.316 -5.834 -5.059
236 HH21 ARG 32 HH21 ARG 32 -12.375 -4.052 -4.337
237 HH22 ARG 32 HH22 ARG 32 -13.830 -4.101 -5.294
238 H SER 33 H SER 33 -12.959 -5.150 1.621
239 HA SER 33 HA SER 33 -12.076 -7.155 3.567
240 HB2 SER 33 HB2 SER 33 -13.502 -5.605 5.125
241 HB3 SER 33 HB3 SER 33 -11.925 -5.037 4.571
242 HG SER 33 HG SER 33 -13.065 -3.378 3.938
Start of MODEL 30
1 HA ALA 1 HA ALA 1 -16.852 -0.297 0.305
2 HB1 ALA 1 HB1 ALA 1 -14.476 -2.052 0.899
3 HB2 ALA 1 HB2 ALA 1 -16.117 -2.613 0.580
4 HB3 ALA 1 HB3 ALA 1 -15.778 -1.649 2.016
5 H SER 2 H SER 2 -13.343 -0.014 -0.242
6 HA SER 2 HA SER 2 -13.435 2.651 0.948
7 HB2 SER 2 HB2 SER 2 -11.690 0.447 2.108
8 HB3 SER 2 HB3 SER 2 -11.523 2.153 2.504
9 HG SER 2 HG SER 2 -14.094 1.377 2.784
10 HA PRO 3 HA PRO 3 -10.594 1.598 -2.757
11 HB2 PRO 3 HB2 PRO 3 -11.952 3.994 -3.874
12 HB3 PRO 3 HB3 PRO 3 -11.565 2.441 -4.649
13 HG2 PRO 3 HG2 PRO 3 -14.063 3.028 -3.944
14 HG3 PRO 3 HG3 PRO 3 -13.413 1.385 -3.762
15 HD2 PRO 3 HD2 PRO 3 -13.866 3.473 -1.635
16 HD3 PRO 3 HD3 PRO 3 -14.091 1.699 -1.559
17 H GLN 4 H GLN 4 -11.433 4.934 -1.708
18 HA GLN 4 HA GLN 4 -9.055 6.044 -2.730
19 HB2 GLN 4 HB2 GLN 4 -10.985 7.102 -0.670
20 HB3 GLN 4 HB3 GLN 4 -9.583 8.010 -1.213
21 HG2 GLN 4 HG2 GLN 4 -10.494 7.789 -3.567
22 HG3 GLN 4 HG3 GLN 4 -11.975 7.169 -2.843
23 HE21 GLN 4 HE21 GLN 4 -11.705 8.934 -0.495
24 HE22 GLN 4 HE22 GLN 4 -12.151 10.511 -1.053
25 H GLN 5 H GLN 5 -9.910 5.156 0.597
26 HA GLN 5 HA GLN 5 -7.480 5.903 1.762
27 HB2 GLN 5 HB2 GLN 5 -9.426 3.740 2.564
28 HB3 GLN 5 HB3 GLN 5 -8.033 4.187 3.531
29 HG2 GLN 5 HG2 GLN 5 -9.855 5.322 4.489
30 HG3 GLN 5 HG3 GLN 5 -8.974 6.538 3.570
31 HE21 GLN 5 HE21 GLN 5 -11.067 4.128 2.122
32 HE22 GLN 5 HE22 GLN 5 -12.291 5.236 1.602
33 H ALA 6 H ALA 6 -8.458 2.896 0.216
34 HA ALA 6 HA ALA 6 -6.097 1.467 0.829
35 HB1 ALA 6 HB1 ALA 6 -6.808 -0.137 -0.805
36 HB2 ALA 6 HB2 ALA 6 -7.916 1.028 -1.525
37 HB3 ALA 6 HB3 ALA 6 -8.218 0.414 0.101
38 H LYS 7 H LYS 7 -7.072 3.459 -1.907
39 HA LYS 7 HA LYS 7 -4.785 3.009 -3.490
40 HB2 LYS 7 HB2 LYS 7 -6.877 4.012 -4.351
41 HB3 LYS 7 HB3 LYS 7 -6.566 5.455 -3.400
42 HG2 LYS 7 HG2 LYS 7 -5.972 5.794 -5.729
43 HG3 LYS 7 HG3 LYS 7 -4.536 5.890 -4.677
44 HD2 LYS 7 HD2 LYS 7 -3.904 3.614 -5.288
45 HD3 LYS 7 HD3 LYS 7 -5.375 3.429 -6.251
46 HE2 LYS 7 HE2 LYS 7 -3.128 5.380 -6.789
47 HE3 LYS 7 HE3 LYS 7 -3.443 3.898 -7.690
48 HZ1 LYS 7 HZ1 LYS 7 -5.603 4.832 -8.329
49 HZ2 LYS 7 HZ2 LYS 7 -4.313 5.774 -8.873
50 HZ3 LYS 7 HZ3 LYS 7 -5.216 6.278 -7.538
51 H TYR 8 H TYR 8 -5.464 5.258 -0.868
52 HA TYR 8 HA TYR 8 -3.128 6.820 -1.145
53 HB2 TYR 8 HB2 TYR 8 -5.096 7.477 0.250
54 HB3 TYR 8 HB3 TYR 8 -4.634 6.229 1.412
55 HD1 TYR 8 HD1 TYR 8 -2.895 6.604 2.995
56 HD2 TYR 8 HD2 TYR 8 -3.567 9.399 -0.136
57 HE1 TYR 8 HE1 TYR 8 -1.369 8.187 4.092
58 HE2 TYR 8 HE2 TYR 8 -2.052 10.995 0.953
59 HH TYR 8 HH TYR 8 -1.114 11.476 3.102
60 H CYS 9 H CYS 9 -3.860 3.920 0.751
61 HA CYS 9 HA CYS 9 -1.352 3.614 1.964
62 HB2 CYS 9 HB2 CYS 9 -3.221 2.245 2.696
63 HB3 CYS 9 HB3 CYS 9 -3.349 1.495 1.099
64 H TYR 10 H TYR 10 -2.594 2.218 -1.061
65 HA TYR 10 HA TYR 10 -0.228 0.890 -1.785
66 HB2 TYR 10 HB2 TYR 10 -2.637 1.821 -3.330
67 HB3 TYR 10 HB3 TYR 10 -1.237 1.156 -4.178
68 HD1 TYR 10 HD1 TYR 10 -0.583 -1.167 -3.854
69 HD2 TYR 10 HD2 TYR 10 -4.090 0.394 -2.027
70 HE1 TYR 10 HE1 TYR 10 -1.381 -3.441 -3.448
71 HE2 TYR 10 HE2 TYR 10 -4.893 -1.882 -1.612
72 HH TYR 10 HH TYR 10 -4.585 -4.128 -2.480
73 H GLU 11 H GLU 11 -1.196 4.211 -2.148
74 HA GLU 11 HA GLU 11 0.792 4.981 -4.003
75 HB2 GLU 11 HB2 GLU 11 -1.226 6.346 -3.418
76 HB3 GLU 11 HB3 GLU 11 -0.481 6.659 -1.835
77 HG2 GLU 11 HG2 GLU 11 -0.206 8.517 -3.426
78 HG3 GLU 11 HG3 GLU 11 1.334 7.838 -2.850
79 H GLN 12 H GLN 12 0.648 5.333 -0.454
80 HA GLN 12 HA GLN 12 3.334 6.343 -0.413
81 HB2 GLN 12 HB2 GLN 12 1.375 5.767 1.804
82 HB3 GLN 12 HB3 GLN 12 2.946 6.506 2.046
83 HG2 GLN 12 HG2 GLN 12 0.821 7.630 0.256
84 HG3 GLN 12 HG3 GLN 12 1.042 8.093 1.939
85 HE21 GLN 12 HE21 GLN 12 2.328 8.253 -1.266
86 HE22 GLN 12 HE22 GLN 12 3.495 9.498 -0.965
87 H CYS 13 H CYS 13 1.924 3.199 0.015
88 HA CYS 13 HA CYS 13 3.669 2.146 1.936
89 HB2 CYS 13 HB2 CYS 13 2.998 -0.076 1.127
90 HB3 CYS 13 HB3 CYS 13 1.595 0.993 1.239
91 H ASN 14 H ASN 14 3.928 1.827 -1.626
92 HA ASN 14 HA ASN 14 6.530 0.680 -1.502
93 HB2 ASN 14 HB2 ASN 14 6.645 1.186 -3.940
94 HB3 ASN 14 HB3 ASN 14 5.175 0.345 -3.480
95 HD21 ASN 14 HD21 ASN 14 6.485 3.494 -4.443
96 HD22 ASN 14 HD22 ASN 14 4.961 4.153 -4.939
97 H VAL 15 H VAL 15 5.372 3.942 -1.494
98 HA VAL 15 HA VAL 15 7.798 5.222 -2.204
99 HB VAL 15 HB VAL 15 5.370 6.225 -0.712
100 HG11 VAL 15 HG11 VAL 15 7.738 7.823 -1.690
101 HG12 VAL 15 HG12 VAL 15 7.335 7.505 -0.004
102 HG13 VAL 15 HG13 VAL 15 6.258 8.486 -0.998
103 HG21 VAL 15 HG21 VAL 15 6.370 6.756 -3.515
104 HG22 VAL 15 HG22 VAL 15 4.902 7.416 -2.794
105 HG23 VAL 15 HG23 VAL 15 5.038 5.683 -3.088
106 H ASN 16 H ASN 16 6.335 4.313 0.908
107 HA ASN 16 HA ASN 16 8.416 5.493 2.477
108 HB2 ASN 16 HB2 ASN 16 6.492 3.258 3.224
109 HB3 ASN 16 HB3 ASN 16 7.494 4.180 4.349
110 HD21 ASN 16 HD21 ASN 16 7.024 6.691 2.885
111 HD22 ASN 16 HD22 ASN 16 5.409 7.160 3.301
112 H LYS 17 H LYS 17 7.627 2.032 2.443
113 HA LYS 17 HA LYS 17 9.788 1.120 1.021
114 HB2 LYS 17 HB2 LYS 17 11.347 0.257 2.683
115 HB3 LYS 17 HB3 LYS 17 11.220 2.013 2.805
116 HG2 LYS 17 HG2 LYS 17 9.798 0.071 4.638
117 HG3 LYS 17 HG3 LYS 17 11.370 0.793 4.986
118 HD2 LYS 17 HD2 LYS 17 10.376 3.035 4.892
119 HD3 LYS 17 HD3 LYS 17 8.781 2.334 4.552
120 HE2 LYS 17 HE2 LYS 17 8.904 2.870 6.893
121 HE3 LYS 17 HE3 LYS 17 8.951 1.116 6.732
122 HZ1 LYS 17 HZ1 LYS 17 11.349 1.196 7.017
123 HZ2 LYS 17 HZ2 LYS 17 10.566 1.903 8.338
124 HZ3 LYS 17 HZ3 LYS 17 11.299 2.879 7.167
125 H VAL 18 H VAL 18 7.887 -0.136 0.359
126 HA VAL 18 HA VAL 18 7.999 -2.682 1.739
127 HB VAL 18 HB VAL 18 5.817 -3.002 2.320
128 HG11 VAL 18 HG11 VAL 18 5.766 0.013 2.322
129 HG12 VAL 18 HG12 VAL 18 6.456 -1.015 3.576
130 HG13 VAL 18 HG13 VAL 18 4.722 -1.057 3.260
131 HG21 VAL 18 HG21 VAL 18 4.907 -1.105 0.163
132 HG22 VAL 18 HG22 VAL 18 3.865 -2.109 1.178
133 HG23 VAL 18 HG23 VAL 18 4.992 -2.864 0.044
134 HA PRO 19 HA PRO 19 7.917 -4.043 -2.544
135 HB2 PRO 19 HB2 PRO 19 6.960 -6.593 -1.416
136 HB3 PRO 19 HB3 PRO 19 8.413 -6.269 -2.377
137 HG2 PRO 19 HG2 PRO 19 8.554 -6.834 0.249
138 HG3 PRO 19 HG3 PRO 19 9.676 -5.712 -0.543
139 HD2 PRO 19 HD2 PRO 19 7.316 -5.102 1.199
140 HD3 PRO 19 HD3 PRO 19 8.896 -4.288 1.084
141 H PHE 20 H PHE 20 6.291 -4.536 -4.108
142 HA PHE 20 HA PHE 20 3.753 -3.520 -3.579
143 HB2 PHE 20 HB2 PHE 20 4.716 -3.726 -5.855
144 HB3 PHE 20 HB3 PHE 20 4.479 -5.467 -5.781
145 HD1 PHE 20 HD1 PHE 20 2.332 -6.445 -6.121
146 HD2 PHE 20 HD2 PHE 20 2.783 -2.217 -5.956
147 HE1 PHE 20 HE1 PHE 20 0.055 -6.172 -7.010
148 HE2 PHE 20 HE2 PHE 20 0.504 -1.937 -6.842
149 HZ PHE 20 HZ PHE 20 -0.862 -3.916 -7.371
150 H ASP 21 H ASP 21 4.819 -6.908 -3.632
151 HA ASP 21 HA ASP 21 2.260 -8.045 -3.313
152 HB2 ASP 21 HB2 ASP 21 3.357 -10.104 -2.800
153 HB3 ASP 21 HB3 ASP 21 4.333 -9.295 -4.021
154 H GLN 22 H GLN 22 4.569 -6.775 -0.997
155 HA GLN 22 HA GLN 22 3.156 -7.677 1.309
156 HB2 GLN 22 HB2 GLN 22 5.532 -7.025 1.424
157 HB3 GLN 22 HB3 GLN 22 5.097 -5.365 1.030
158 HG2 GLN 22 HG2 GLN 22 3.677 -5.348 3.093
159 HG3 GLN 22 HG3 GLN 22 4.391 -6.912 3.506
160 HE21 GLN 22 HE21 GLN 22 4.518 -4.374 4.919
161 HE22 GLN 22 HE22 GLN 22 6.201 -4.000 5.083
162 H CYS 23 H CYS 23 3.130 -4.729 -0.647
163 HA CYS 23 HA CYS 23 1.379 -3.242 1.007
164 HB2 CYS 23 HB2 CYS 23 2.744 -2.328 -0.963
165 HB3 CYS 23 HB3 CYS 23 1.491 -2.998 -2.011
166 H TYR 24 H TYR 24 0.817 -5.453 -1.677
167 HA TYR 24 HA TYR 24 -1.991 -5.309 -1.724
168 HB2 TYR 24 HB2 TYR 24 -0.338 -6.466 -3.390
169 HB3 TYR 24 HB3 TYR 24 -0.475 -7.854 -2.300
170 HD1 TYR 24 HD1 TYR 24 -2.021 -5.987 -4.951
171 HD2 TYR 24 HD2 TYR 24 -2.736 -8.869 -1.910
172 HE1 TYR 24 HE1 TYR 24 -4.091 -6.657 -6.084
173 HE2 TYR 24 HE2 TYR 24 -4.811 -9.545 -3.030
174 HH TYR 24 HH TYR 24 -6.443 -8.623 -4.603
175 H GLN 25 H GLN 25 0.256 -7.078 0.289
176 HA GLN 25 HA GLN 25 -1.580 -9.010 1.255
177 HB2 GLN 25 HB2 GLN 25 0.922 -9.238 1.229
178 HB3 GLN 25 HB3 GLN 25 1.009 -8.017 2.490
179 HG2 GLN 25 HG2 GLN 25 -0.206 -9.489 4.015
180 HG3 GLN 25 HG3 GLN 25 -0.317 -10.711 2.748
181 HE21 GLN 25 HE21 GLN 25 1.776 -9.091 4.989
182 HE22 GLN 25 HE22 GLN 25 3.110 -10.190 4.842
183 H MET 26 H MET 26 -0.582 -5.825 2.317
184 HA MET 26 HA MET 26 -1.968 -6.108 4.845
185 HB2 MET 26 HB2 MET 26 0.117 -5.004 5.023
186 HB3 MET 26 HB3 MET 26 -0.223 -3.982 3.638
187 HG2 MET 26 HG2 MET 26 -1.976 -2.832 4.960
188 HG3 MET 26 HG3 MET 26 -1.512 -3.805 6.357
189 HE1 MET 26 HE1 MET 26 -0.120 -1.323 3.635
190 HE2 MET 26 HE2 MET 26 1.201 -2.485 3.760
191 HE3 MET 26 HE3 MET 26 1.420 -0.840 4.346
192 H CYS 27 H CYS 27 -2.254 -4.052 1.922
193 HA CYS 27 HA CYS 27 -4.617 -2.875 3.196
194 HB2 CYS 27 HB2 CYS 27 -2.781 -1.795 1.057
195 HB3 CYS 27 HB3 CYS 27 -4.336 -1.038 1.472
196 H SER 28 H SER 28 -4.132 -5.276 0.962
197 HA SER 28 HA SER 28 -6.337 -4.681 -0.710
198 HB2 SER 28 HB2 SER 28 -4.752 -6.496 -1.279
199 HB3 SER 28 HB3 SER 28 -5.410 -7.453 0.057
200 HG SER 28 HG SER 28 -6.763 -8.116 -1.405
201 HA PRO 29 HA PRO 29 -9.017 -7.016 2.696
202 HB2 PRO 29 HB2 PRO 29 -7.296 -6.357 5.037
203 HB3 PRO 29 HB3 PRO 29 -8.306 -7.789 4.748
204 HG2 PRO 29 HG2 PRO 29 -5.677 -7.982 4.494
205 HG3 PRO 29 HG3 PRO 29 -6.748 -8.763 3.301
206 HD2 PRO 29 HD2 PRO 29 -5.204 -6.188 3.066
207 HD3 PRO 29 HD3 PRO 29 -5.428 -7.486 1.869
208 H LEU 30 H LEU 30 -7.136 -4.128 3.090
209 HA LEU 30 HA LEU 30 -8.850 -2.617 4.730
210 HB2 LEU 30 HB2 LEU 30 -6.469 -2.053 3.997
211 HB3 LEU 30 HB3 LEU 30 -7.159 -1.573 2.438
212 HG LEU 30 HG LEU 30 -7.853 -0.267 5.092
213 HD11 LEU 30 HD11 LEU 30 -6.432 1.600 4.209
214 HD12 LEU 30 HD12 LEU 30 -5.858 0.491 2.964
215 HD13 LEU 30 HD13 LEU 30 -5.540 0.148 4.662
216 HD21 LEU 30 HD21 LEU 30 -8.335 0.672 2.259
217 HD22 LEU 30 HD22 LEU 30 -8.821 1.494 3.742
218 HD23 LEU 30 HD23 LEU 30 -9.559 -0.050 3.303
219 H GLU 31 H GLU 31 -8.670 -3.054 1.246
220 HA GLU 31 HA GLU 31 -11.012 -1.418 0.784
221 HB2 GLU 31 HB2 GLU 31 -8.889 -1.825 -0.765
222 HB3 GLU 31 HB3 GLU 31 -9.853 -3.200 -1.320
223 HG2 GLU 31 HG2 GLU 31 -10.711 -0.298 -1.399
224 HG3 GLU 31 HG3 GLU 31 -10.129 -1.250 -2.772
225 H ARG 32 H ARG 32 -10.235 -4.716 -0.259
226 HA ARG 32 HA ARG 32 -12.666 -5.803 0.862
227 HB2 ARG 32 HB2 ARG 32 -12.290 -5.469 -2.117
228 HB3 ARG 32 HB3 ARG 32 -13.314 -6.751 -1.465
229 HG2 ARG 32 HG2 ARG 32 -14.791 -5.096 -0.445
230 HG3 ARG 32 HG3 ARG 32 -13.710 -3.790 -0.938
231 HD2 ARG 32 HD2 ARG 32 -15.758 -4.113 -2.358
232 HD3 ARG 32 HD3 ARG 32 -14.231 -4.105 -3.233
233 HE ARG 32 HE ARG 32 -15.475 -6.659 -2.472
234 HH11 ARG 32 HH11 ARG 32 -14.396 -4.433 -4.951
235 HH12 ARG 32 HH12 ARG 32 -14.567 -5.584 -6.235
236 HH21 ARG 32 HH21 ARG 32 -15.713 -8.170 -4.165
237 HH22 ARG 32 HH22 ARG 32 -15.329 -7.704 -5.793
238 H SER 33 H SER 33 -12.155 -7.772 1.569
239 HA SER 33 HA SER 33 -10.828 -9.646 -0.180
240 HB2 SER 33 HB2 SER 33 -9.575 -8.916 2.487
241 HB3 SER 33 HB3 SER 33 -9.157 -10.354 1.562
242 HG SER 33 HG SER 33 -9.080 -7.977 0.152
Start of MODEL 31
1 HA ALA 1 HA ALA 1 -15.936 -0.067 0.100
2 HB1 ALA 1 HB1 ALA 1 -12.993 -0.716 0.107
3 HB2 ALA 1 HB2 ALA 1 -14.298 -1.882 0.335
4 HB3 ALA 1 HB3 ALA 1 -14.046 -0.598 1.516
5 H SER 2 H SER 2 -12.932 1.191 -1.330
6 HA SER 2 HA SER 2 -13.646 3.915 -0.981
7 HB2 SER 2 HB2 SER 2 -13.191 3.261 1.434
8 HB3 SER 2 HB3 SER 2 -11.528 2.916 0.954
9 HG SER 2 HG SER 2 -12.363 5.183 1.755
10 HA PRO 3 HA PRO 3 -10.499 2.466 -4.163
11 HB2 PRO 3 HB2 PRO 3 -11.768 4.874 -5.411
12 HB3 PRO 3 HB3 PRO 3 -11.259 3.345 -6.167
13 HG2 PRO 3 HG2 PRO 3 -13.810 3.740 -5.672
14 HG3 PRO 3 HG3 PRO 3 -13.073 2.170 -5.283
15 HD2 PRO 3 HD2 PRO 3 -13.817 4.412 -3.409
16 HD3 PRO 3 HD3 PRO 3 -13.954 2.638 -3.185
17 H GLN 4 H GLN 4 -11.158 5.793 -3.104
18 HA GLN 4 HA GLN 4 -8.619 6.749 -4.018
19 HB2 GLN 4 HB2 GLN 4 -10.745 7.998 -2.280
20 HB3 GLN 4 HB3 GLN 4 -9.250 8.824 -2.696
21 HG2 GLN 4 HG2 GLN 4 -9.806 8.774 -5.044
22 HG3 GLN 4 HG3 GLN 4 -11.228 7.784 -4.728
23 HE21 GLN 4 HE21 GLN 4 -11.993 9.257 -2.345
24 HE22 GLN 4 HE22 GLN 4 -12.627 10.769 -2.896
25 H GLN 5 H GLN 5 -9.948 6.000 -0.816
26 HA GLN 5 HA GLN 5 -7.553 6.650 0.561
27 HB2 GLN 5 HB2 GLN 5 -9.980 5.064 1.330
28 HB3 GLN 5 HB3 GLN 5 -8.584 5.156 2.390
29 HG2 GLN 5 HG2 GLN 5 -10.085 7.559 1.362
30 HG3 GLN 5 HG3 GLN 5 -10.376 6.799 2.927
31 HE21 GLN 5 HE21 GLN 5 -7.550 6.204 3.370
32 HE22 GLN 5 HE22 GLN 5 -6.798 7.717 3.760
33 H ALA 6 H ALA 6 -8.802 3.720 -0.883
34 HA ALA 6 HA ALA 6 -6.823 1.957 0.078
35 HB1 ALA 6 HB1 ALA 6 -8.766 0.999 -0.897
36 HB2 ALA 6 HB2 ALA 6 -7.412 0.587 -1.954
37 HB3 ALA 6 HB3 ALA 6 -8.517 1.879 -2.402
38 H LYS 7 H LYS 7 -6.965 4.043 -2.777
39 HA LYS 7 HA LYS 7 -4.542 3.163 -3.925
40 HB2 LYS 7 HB2 LYS 7 -6.251 4.512 -5.141
41 HB3 LYS 7 HB3 LYS 7 -5.803 5.903 -4.165
42 HG2 LYS 7 HG2 LYS 7 -4.759 6.016 -6.348
43 HG3 LYS 7 HG3 LYS 7 -3.531 5.828 -5.068
44 HD2 LYS 7 HD2 LYS 7 -3.435 3.400 -5.554
45 HD3 LYS 7 HD3 LYS 7 -4.617 3.616 -6.850
46 HE2 LYS 7 HE2 LYS 7 -1.848 4.822 -6.718
47 HE3 LYS 7 HE3 LYS 7 -2.363 3.512 -7.779
48 HZ1 LYS 7 HZ1 LYS 7 -3.359 6.310 -7.844
49 HZ2 LYS 7 HZ2 LYS 7 -3.903 5.058 -8.842
50 HZ3 LYS 7 HZ3 LYS 7 -2.305 5.599 -8.958
51 H TYR 8 H TYR 8 -5.304 5.586 -1.504
52 HA TYR 8 HA TYR 8 -2.741 6.729 -1.270
53 HB2 TYR 8 HB2 TYR 8 -4.797 7.742 -0.318
54 HB3 TYR 8 HB3 TYR 8 -4.868 6.432 0.862
55 HD1 TYR 8 HD1 TYR 8 -2.672 9.193 -0.307
56 HD2 TYR 8 HD2 TYR 8 -3.803 6.662 2.920
57 HE1 TYR 8 HE1 TYR 8 -1.265 10.515 1.215
58 HE2 TYR 8 HE2 TYR 8 -2.400 7.976 4.450
59 HH TYR 8 HH TYR 8 -1.093 11.007 3.595
60 H CYS 9 H CYS 9 -4.304 4.021 0.351
61 HA CYS 9 HA CYS 9 -2.339 3.357 2.210
62 HB2 CYS 9 HB2 CYS 9 -4.586 2.351 2.176
63 HB3 CYS 9 HB3 CYS 9 -4.197 1.504 0.674
64 H TYR 10 H TYR 10 -2.744 2.173 -1.120
65 HA TYR 10 HA TYR 10 -0.396 0.571 -1.062
66 HB2 TYR 10 HB2 TYR 10 -2.129 1.562 -3.341
67 HB3 TYR 10 HB3 TYR 10 -0.731 0.505 -3.574
68 HD1 TYR 10 HD1 TYR 10 -0.715 -1.682 -2.225
69 HD2 TYR 10 HD2 TYR 10 -4.233 0.609 -2.903
70 HE1 TYR 10 HE1 TYR 10 -2.080 -3.652 -1.795
71 HE2 TYR 10 HE2 TYR 10 -5.608 -1.372 -2.471
72 HH TYR 10 HH TYR 10 -5.303 -3.885 -2.610
73 H GLU 11 H GLU 11 -1.067 3.870 -2.087
74 HA GLU 11 HA GLU 11 1.361 4.332 -3.429
75 HB2 GLU 11 HB2 GLU 11 -0.579 5.797 -3.720
76 HB3 GLU 11 HB3 GLU 11 -0.478 6.291 -2.017
77 HG2 GLU 11 HG2 GLU 11 1.680 7.338 -2.443
78 HG3 GLU 11 HG3 GLU 11 1.588 6.834 -4.147
79 H GLN 12 H GLN 12 0.434 4.755 -0.017
80 HA GLN 12 HA GLN 12 2.865 6.060 0.680
81 HB2 GLN 12 HB2 GLN 12 0.849 4.679 2.458
82 HB3 GLN 12 HB3 GLN 12 2.175 5.681 3.009
83 HG2 GLN 12 HG2 GLN 12 -0.113 6.570 1.303
84 HG3 GLN 12 HG3 GLN 12 0.107 6.902 3.013
85 HE21 GLN 12 HE21 GLN 12 1.056 7.674 -0.196
86 HE22 GLN 12 HE22 GLN 12 1.985 9.087 0.186
87 H CYS 13 H CYS 13 1.983 2.773 0.218
88 HA CYS 13 HA CYS 13 3.867 1.529 1.871
89 HB2 CYS 13 HB2 CYS 13 2.490 0.668 -0.667
90 HB3 CYS 13 HB3 CYS 13 3.774 -0.322 0.037
91 H ASN 14 H ASN 14 4.196 2.376 -1.615
92 HA ASN 14 HA ASN 14 6.951 1.611 -1.611
93 HB2 ASN 14 HB2 ASN 14 7.016 2.627 -3.878
94 HB3 ASN 14 HB3 ASN 14 5.691 1.492 -3.674
95 HD21 ASN 14 HD21 ASN 14 6.512 4.913 -3.949
96 HD22 ASN 14 HD22 ASN 14 4.909 5.430 -4.351
97 H VAL 15 H VAL 15 5.227 4.565 -0.988
98 HA VAL 15 HA VAL 15 7.307 6.412 -1.198
99 HB VAL 15 HB VAL 15 4.891 6.366 0.612
100 HG11 VAL 15 HG11 VAL 15 5.331 8.728 1.106
101 HG12 VAL 15 HG12 VAL 15 6.854 8.630 0.221
102 HG13 VAL 15 HG13 VAL 15 6.634 7.698 1.703
103 HG21 VAL 15 HG21 VAL 15 4.427 6.608 -1.773
104 HG22 VAL 15 HG22 VAL 15 5.562 7.953 -1.872
105 HG23 VAL 15 HG23 VAL 15 4.086 8.116 -0.927
106 H ASN 16 H ASN 16 6.421 4.254 1.485
107 HA ASN 16 HA ASN 16 8.654 5.265 3.060
108 HB2 ASN 16 HB2 ASN 16 6.600 3.096 3.588
109 HB3 ASN 16 HB3 ASN 16 7.965 3.408 4.657
110 HD21 ASN 16 HD21 ASN 16 4.945 4.693 3.442
111 HD22 ASN 16 HD22 ASN 16 4.793 5.930 4.645
112 H LYS 17 H LYS 17 7.790 1.866 2.490
113 HA LYS 17 HA LYS 17 9.691 1.229 0.606
114 HB2 LYS 17 HB2 LYS 17 11.350 1.835 2.363
115 HB3 LYS 17 HB3 LYS 17 10.690 0.539 3.375
116 HG2 LYS 17 HG2 LYS 17 11.381 -1.136 1.802
117 HG3 LYS 17 HG3 LYS 17 11.862 0.095 0.630
118 HD2 LYS 17 HD2 LYS 17 13.621 0.885 2.093
119 HD3 LYS 17 HD3 LYS 17 13.130 -0.252 3.369
120 HE2 LYS 17 HE2 LYS 17 13.676 -2.128 1.892
121 HE3 LYS 17 HE3 LYS 17 14.110 -1.007 0.606
122 HZ1 LYS 17 HZ1 LYS 17 16.050 -1.847 1.769
123 HZ2 LYS 17 HZ2 LYS 17 15.479 -1.216 3.230
124 HZ3 LYS 17 HZ3 LYS 17 15.905 -0.173 1.967
125 H VAL 18 H VAL 18 7.718 0.040 0.063
126 HA VAL 18 HA VAL 18 7.987 -2.679 0.911
127 HB VAL 18 HB VAL 18 6.451 -2.704 2.554
128 HG11 VAL 18 HG11 VAL 18 6.543 -0.283 2.809
129 HG12 VAL 18 HG12 VAL 18 4.909 -0.889 3.077
130 HG13 VAL 18 HG13 VAL 18 5.319 -0.095 1.557
131 HG21 VAL 18 HG21 VAL 18 4.119 -2.916 1.895
132 HG22 VAL 18 HG22 VAL 18 5.168 -3.710 0.720
133 HG23 VAL 18 HG23 VAL 18 4.471 -2.139 0.352
134 HA PRO 19 HA PRO 19 6.929 -3.044 -3.414
135 HB2 PRO 19 HB2 PRO 19 6.542 -5.886 -2.680
136 HB3 PRO 19 HB3 PRO 19 7.610 -5.177 -3.905
137 HG2 PRO 19 HG2 PRO 19 8.601 -6.173 -1.631
138 HG3 PRO 19 HG3 PRO 19 9.284 -4.723 -2.390
139 HD2 PRO 19 HD2 PRO 19 7.480 -4.928 -0.001
140 HD3 PRO 19 HD3 PRO 19 8.855 -3.840 -0.311
141 H PHE 20 H PHE 20 5.066 -3.541 -4.700
142 HA PHE 20 HA PHE 20 2.632 -2.941 -3.520
143 HB2 PHE 20 HB2 PHE 20 3.172 -2.743 -5.967
144 HB3 PHE 20 HB3 PHE 20 2.931 -4.481 -6.105
145 HD1 PHE 20 HD1 PHE 20 0.716 -5.447 -5.971
146 HD2 PHE 20 HD2 PHE 20 1.312 -1.253 -5.569
147 HE1 PHE 20 HE1 PHE 20 -1.695 -5.078 -6.296
148 HE2 PHE 20 HE2 PHE 20 -1.098 -0.875 -5.888
149 HZ PHE 20 HZ PHE 20 -2.606 -2.788 -6.251
150 H ASP 21 H ASP 21 3.872 -6.165 -4.417
151 HA ASP 21 HA ASP 21 1.522 -7.579 -3.778
152 HB2 ASP 21 HB2 ASP 21 2.862 -9.592 -3.791
153 HB3 ASP 21 HB3 ASP 21 3.387 -8.552 -5.110
154 H GLN 22 H GLN 22 4.337 -6.735 -1.827
155 HA GLN 22 HA GLN 22 3.442 -8.028 0.536
156 HB2 GLN 22 HB2 GLN 22 5.788 -7.423 0.158
157 HB3 GLN 22 HB3 GLN 22 5.363 -5.720 0.192
158 HG2 GLN 22 HG2 GLN 22 6.292 -6.306 2.301
159 HG3 GLN 22 HG3 GLN 22 4.555 -6.033 2.521
160 HE21 GLN 22 HE21 GLN 22 4.486 -7.269 4.387
161 HE22 GLN 22 HE22 GLN 22 4.598 -8.997 4.349
162 H CYS 23 H CYS 23 2.963 -4.817 -0.843
163 HA CYS 23 HA CYS 23 1.654 -3.681 1.404
164 HB2 CYS 23 HB2 CYS 23 2.470 -2.411 -0.669
165 HB3 CYS 23 HB3 CYS 23 1.014 -2.995 -1.476
166 H TYR 24 H TYR 24 0.497 -5.567 -1.352
167 HA TYR 24 HA TYR 24 -2.236 -5.558 -0.753
168 HB2 TYR 24 HB2 TYR 24 -1.112 -6.527 -2.836
169 HB3 TYR 24 HB3 TYR 24 -0.741 -7.951 -1.850
170 HD1 TYR 24 HD1 TYR 24 -3.335 -6.098 -3.600
171 HD2 TYR 24 HD2 TYR 24 -2.551 -9.408 -1.048
172 HE1 TYR 24 HE1 TYR 24 -5.557 -7.009 -4.106
173 HE2 TYR 24 HE2 TYR 24 -4.771 -10.326 -1.544
174 HH TYR 24 HH TYR 24 -6.935 -9.609 -2.330
175 H GLN 25 H GLN 25 0.414 -7.372 0.649
176 HA GLN 25 HA GLN 25 -1.157 -9.308 1.967
177 HB2 GLN 25 HB2 GLN 25 1.260 -9.614 1.613
178 HB3 GLN 25 HB3 GLN 25 1.601 -8.219 2.633
179 HG2 GLN 25 HG2 GLN 25 0.674 -9.397 4.565
180 HG3 GLN 25 HG3 GLN 25 0.329 -10.794 3.550
181 HE21 GLN 25 HE21 GLN 25 2.040 -10.508 5.913
182 HE22 GLN 25 HE22 GLN 25 3.604 -11.065 5.420
183 H MET 26 H MET 26 0.037 -6.116 2.911
184 HA MET 26 HA MET 26 -1.139 -6.363 5.550
185 HB2 MET 26 HB2 MET 26 1.007 -5.288 5.427
186 HB3 MET 26 HB3 MET 26 0.434 -4.180 4.194
187 HG2 MET 26 HG2 MET 26 -1.102 -3.177 5.864
188 HG3 MET 26 HG3 MET 26 -0.398 -4.231 7.091
189 HE1 MET 26 HE1 MET 26 1.635 -2.519 4.134
190 HE2 MET 26 HE2 MET 26 2.035 -0.973 4.878
191 HE3 MET 26 HE3 MET 26 0.357 -1.361 4.499
192 H CYS 27 H CYS 27 -1.783 -4.615 2.546
193 HA CYS 27 HA CYS 27 -3.856 -3.027 3.850
194 HB2 CYS 27 HB2 CYS 27 -2.206 -2.118 2.058
195 HB3 CYS 27 HB3 CYS 27 -3.250 -2.956 0.888
196 H SER 28 H SER 28 -3.785 -6.073 2.576
197 HA SER 28 HA SER 28 -6.017 -6.216 0.946
198 HB2 SER 28 HB2 SER 28 -6.190 -8.629 1.785
199 HB3 SER 28 HB3 SER 28 -4.679 -8.137 1.011
200 HG SER 28 HG SER 28 -3.655 -8.411 2.830
201 HA PRO 29 HA PRO 29 -8.767 -6.789 5.044
202 HB2 PRO 29 HB2 PRO 29 -7.237 -4.718 6.558
203 HB3 PRO 29 HB3 PRO 29 -8.155 -6.111 7.168
204 HG2 PRO 29 HG2 PRO 29 -5.514 -6.236 7.095
205 HG3 PRO 29 HG3 PRO 29 -6.483 -7.639 6.577
206 HD2 PRO 29 HD2 PRO 29 -5.032 -5.609 4.899
207 HD3 PRO 29 HD3 PRO 29 -5.199 -7.367 4.661
208 H LEU 30 H LEU 30 -7.260 -3.997 3.628
209 HA LEU 30 HA LEU 30 -9.546 -2.284 4.199
210 HB2 LEU 30 HB2 LEU 30 -7.008 -1.605 4.195
211 HB3 LEU 30 HB3 LEU 30 -7.234 -1.513 2.441
212 HG LEU 30 HG LEU 30 -8.675 0.142 4.541
213 HD11 LEU 30 HD11 LEU 30 -6.380 0.832 4.185
214 HD12 LEU 30 HD12 LEU 30 -7.482 2.009 3.464
215 HD13 LEU 30 HD13 LEU 30 -6.633 0.849 2.438
216 HD21 LEU 30 HD21 LEU 30 -9.740 1.323 2.720
217 HD22 LEU 30 HD22 LEU 30 -10.136 -0.393 2.606
218 HD23 LEU 30 HD23 LEU 30 -8.923 0.306 1.534
219 H GLU 31 H GLU 31 -7.675 -2.992 1.260
220 HA GLU 31 HA GLU 31 -9.889 -2.169 -0.385
221 HB2 GLU 31 HB2 GLU 31 -7.605 -1.632 -1.053
222 HB3 GLU 31 HB3 GLU 31 -7.202 -3.350 -1.118
223 HG2 GLU 31 HG2 GLU 31 -7.540 -2.493 -3.350
224 HG3 GLU 31 HG3 GLU 31 -8.817 -3.646 -2.949
225 H ARG 32 H ARG 32 -7.965 -5.158 -0.551
226 HA ARG 32 HA ARG 32 -10.352 -6.780 -0.674
227 HB2 ARG 32 HB2 ARG 32 -8.583 -6.322 -3.081
228 HB3 ARG 32 HB3 ARG 32 -9.499 -7.818 -2.897
229 HG2 ARG 32 HG2 ARG 32 -10.763 -5.065 -2.931
230 HG3 ARG 32 HG3 ARG 32 -10.568 -6.069 -4.369
231 HD2 ARG 32 HD2 ARG 32 -12.339 -6.505 -1.982
232 HD3 ARG 32 HD3 ARG 32 -12.744 -6.505 -3.690
233 HE ARG 32 HE ARG 32 -11.134 -8.617 -3.573
234 HH11 ARG 32 HH11 ARG 32 -13.788 -7.658 -1.507
235 HH12 ARG 32 HH12 ARG 32 -14.225 -9.286 -1.098
236 HH21 ARG 32 HH21 ARG 32 -11.687 -10.757 -3.017
237 HH22 ARG 32 HH22 ARG 32 -13.019 -11.050 -1.942
238 H SER 33 H SER 33 -9.997 -8.830 -0.076
239 HA SER 33 HA SER 33 -7.191 -9.658 0.286
240 HB2 SER 33 HB2 SER 33 -9.635 -10.747 1.730
241 HB3 SER 33 HB3 SER 33 -7.947 -11.115 2.082
242 HG SER 33 HG SER 33 -8.607 -8.422 2.104
Start of MODEL 32
1 HA ALA 1 HA ALA 1 -15.158 1.127 2.553
2 HB1 ALA 1 HB1 ALA 1 -17.399 2.189 0.833
3 HB2 ALA 1 HB2 ALA 1 -17.155 0.499 1.268
4 HB3 ALA 1 HB3 ALA 1 -15.966 1.331 0.269
5 H SER 2 H SER 2 -13.873 2.363 0.914
6 HA SER 2 HA SER 2 -14.036 5.182 0.733
7 HB2 SER 2 HB2 SER 2 -13.460 5.019 3.174
8 HB3 SER 2 HB3 SER 2 -11.978 4.178 2.726
9 HG SER 2 HG SER 2 -12.495 6.823 2.741
10 HA PRO 3 HA PRO 3 -11.344 2.987 -2.367
11 HB2 PRO 3 HB2 PRO 3 -12.261 5.368 -3.905
12 HB3 PRO 3 HB3 PRO 3 -12.162 3.664 -4.405
13 HG2 PRO 3 HG2 PRO 3 -14.513 4.784 -3.852
14 HG3 PRO 3 HG3 PRO 3 -14.156 3.109 -3.386
15 HD2 PRO 3 HD2 PRO 3 -14.248 5.563 -1.652
16 HD3 PRO 3 HD3 PRO 3 -14.732 3.878 -1.279
17 H GLN 4 H GLN 4 -11.537 6.290 -1.255
18 HA GLN 4 HA GLN 4 -9.171 7.264 -2.448
19 HB2 GLN 4 HB2 GLN 4 -10.486 8.226 0.100
20 HB3 GLN 4 HB3 GLN 4 -9.338 9.126 -0.878
21 HG2 GLN 4 HG2 GLN 4 -11.387 10.051 -1.487
22 HG3 GLN 4 HG3 GLN 4 -11.086 8.879 -2.768
23 HE21 GLN 4 HE21 GLN 4 -12.135 8.069 0.492
24 HE22 GLN 4 HE22 GLN 4 -13.707 7.497 0.037
25 H GLN 5 H GLN 5 -9.835 5.843 0.711
26 HA GLN 5 HA GLN 5 -7.225 6.245 1.737
27 HB2 GLN 5 HB2 GLN 5 -9.420 4.357 2.568
28 HB3 GLN 5 HB3 GLN 5 -7.885 4.461 3.412
29 HG2 GLN 5 HG2 GLN 5 -8.307 6.791 3.961
30 HG3 GLN 5 HG3 GLN 5 -9.813 6.756 3.050
31 HE21 GLN 5 HE21 GLN 5 -8.733 4.081 5.021
32 HE22 GLN 5 HE22 GLN 5 -9.951 4.242 6.238
33 H ALA 6 H ALA 6 -8.758 3.611 0.011
34 HA ALA 6 HA ALA 6 -6.665 1.742 0.222
35 HB1 ALA 6 HB1 ALA 6 -8.658 2.073 -2.017
36 HB2 ALA 6 HB2 ALA 6 -8.882 1.093 -0.566
37 HB3 ALA 6 HB3 ALA 6 -7.640 0.661 -1.746
38 H LYS 7 H LYS 7 -7.305 4.312 -2.119
39 HA LYS 7 HA LYS 7 -5.119 3.670 -3.814
40 HB2 LYS 7 HB2 LYS 7 -7.199 5.111 -4.319
41 HB3 LYS 7 HB3 LYS 7 -6.331 6.414 -3.523
42 HG2 LYS 7 HG2 LYS 7 -6.068 6.585 -5.910
43 HG3 LYS 7 HG3 LYS 7 -4.500 6.187 -5.158
44 HD2 LYS 7 HD2 LYS 7 -4.779 3.837 -5.774
45 HD3 LYS 7 HD3 LYS 7 -6.383 4.169 -6.434
46 HE2 LYS 7 HE2 LYS 7 -4.696 3.988 -8.219
47 HE3 LYS 7 HE3 LYS 7 -5.387 5.610 -8.145
48 HZ1 LYS 7 HZ1 LYS 7 -2.800 4.838 -6.916
49 HZ2 LYS 7 HZ2 LYS 7 -3.442 6.401 -7.025
50 HZ3 LYS 7 HZ3 LYS 7 -2.958 5.583 -8.425
51 H TYR 8 H TYR 8 -5.464 5.511 -0.899
52 HA TYR 8 HA TYR 8 -2.925 6.812 -1.000
53 HB2 TYR 8 HB2 TYR 8 -4.779 7.658 0.386
54 HB3 TYR 8 HB3 TYR 8 -4.719 6.188 1.356
55 HD1 TYR 8 HD1 TYR 8 -3.206 5.959 3.143
56 HD2 TYR 8 HD2 TYR 8 -2.841 9.249 0.474
57 HE1 TYR 8 HE1 TYR 8 -1.603 7.008 4.673
58 HE2 TYR 8 HE2 TYR 8 -1.232 10.316 2.002
59 HH TYR 8 HH TYR 8 -0.595 10.263 4.341
60 H CYS 9 H CYS 9 -4.157 3.849 0.506
61 HA CYS 9 HA CYS 9 -1.829 3.136 1.907
62 HB2 CYS 9 HB2 CYS 9 -4.094 2.090 2.219
63 HB3 CYS 9 HB3 CYS 9 -3.851 1.213 0.700
64 H TYR 10 H TYR 10 -2.917 2.245 -1.356
65 HA TYR 10 HA TYR 10 -0.648 0.621 -1.915
66 HB2 TYR 10 HB2 TYR 10 -2.811 1.828 -3.639
67 HB3 TYR 10 HB3 TYR 10 -1.447 0.955 -4.347
68 HD1 TYR 10 HD1 TYR 10 -1.077 -1.431 -3.709
69 HD2 TYR 10 HD2 TYR 10 -4.647 0.650 -2.696
70 HE1 TYR 10 HE1 TYR 10 -2.217 -3.568 -3.362
71 HE2 TYR 10 HE2 TYR 10 -5.797 -1.487 -2.344
72 HH TYR 10 HH TYR 10 -4.150 -4.453 -2.121
73 H GLU 11 H GLU 11 -1.203 4.035 -2.099
74 HA GLU 11 HA GLU 11 1.008 4.542 -3.847
75 HB2 GLU 11 HB2 GLU 11 -0.949 6.128 -3.497
76 HB3 GLU 11 HB3 GLU 11 -0.244 6.488 -1.906
77 HG2 GLU 11 HG2 GLU 11 1.786 7.297 -2.953
78 HG3 GLU 11 HG3 GLU 11 1.127 6.915 -4.561
79 H GLN 12 H GLN 12 0.446 5.034 -0.374
80 HA GLN 12 HA GLN 12 3.091 5.953 0.076
81 HB2 GLN 12 HB2 GLN 12 0.995 5.078 2.066
82 HB3 GLN 12 HB3 GLN 12 2.478 5.931 2.452
83 HG2 GLN 12 HG2 GLN 12 0.383 6.996 0.598
84 HG3 GLN 12 HG3 GLN 12 0.444 7.344 2.317
85 HE21 GLN 12 HE21 GLN 12 3.357 7.446 2.378
86 HE22 GLN 12 HE22 GLN 12 3.791 8.949 1.628
87 H CYS 13 H CYS 13 1.769 2.792 -0.107
88 HA CYS 13 HA CYS 13 3.373 1.500 1.807
89 HB2 CYS 13 HB2 CYS 13 2.835 -0.580 0.649
90 HB3 CYS 13 HB3 CYS 13 1.393 0.440 0.715
91 H ASN 14 H ASN 14 3.906 1.798 -1.724
92 HA ASN 14 HA ASN 14 6.595 0.822 -1.493
93 HB2 ASN 14 HB2 ASN 14 6.809 1.416 -3.878
94 HB3 ASN 14 HB3 ASN 14 5.350 0.491 -3.565
95 HD21 ASN 14 HD21 ASN 14 6.596 3.690 -4.400
96 HD22 ASN 14 HD22 ASN 14 5.076 4.316 -4.943
97 H VAL 15 H VAL 15 5.109 3.975 -1.415
98 HA VAL 15 HA VAL 15 7.443 5.502 -1.875
99 HB VAL 15 HB VAL 15 4.913 6.225 -0.384
100 HG11 VAL 15 HG11 VAL 15 6.727 7.651 0.388
101 HG12 VAL 15 HG12 VAL 15 5.625 8.572 -0.637
102 HG13 VAL 15 HG13 VAL 15 7.171 8.019 -1.280
103 HG21 VAL 15 HG21 VAL 15 5.850 6.897 -3.176
104 HG22 VAL 15 HG22 VAL 15 4.372 7.494 -2.419
105 HG23 VAL 15 HG23 VAL 15 4.557 5.773 -2.756
106 H ASN 16 H ASN 16 6.023 4.055 1.003
107 HA ASN 16 HA ASN 16 7.881 5.308 2.814
108 HB2 ASN 16 HB2 ASN 16 5.650 4.436 3.558
109 HB3 ASN 16 HB3 ASN 16 6.230 2.792 3.247
110 HD21 ASN 16 HD21 ASN 16 6.489 5.582 5.342
111 HD22 ASN 16 HD22 ASN 16 7.336 4.762 6.606
112 H LYS 17 H LYS 17 7.466 1.817 2.367
113 HA LYS 17 HA LYS 17 9.721 1.228 0.913
114 HB2 LYS 17 HB2 LYS 17 10.311 1.605 3.770
115 HB3 LYS 17 HB3 LYS 17 10.850 0.056 3.113
116 HG2 LYS 17 HG2 LYS 17 12.167 1.192 1.424
117 HG3 LYS 17 HG3 LYS 17 11.554 2.762 1.962
118 HD2 LYS 17 HD2 LYS 17 12.537 2.202 4.253
119 HD3 LYS 17 HD3 LYS 17 13.344 0.839 3.448
120 HE2 LYS 17 HE2 LYS 17 14.520 2.325 1.973
121 HE3 LYS 17 HE3 LYS 17 13.621 3.716 2.578
122 HZ1 LYS 17 HZ1 LYS 17 14.643 3.380 4.743
123 HZ2 LYS 17 HZ2 LYS 17 15.821 3.602 3.550
124 HZ3 LYS 17 HZ3 LYS 17 15.510 2.055 4.152
125 H VAL 18 H VAL 18 7.939 -0.201 0.152
126 HA VAL 18 HA VAL 18 8.194 -2.757 1.514
127 HB VAL 18 HB VAL 18 5.986 -3.258 1.938
128 HG11 VAL 18 HG11 VAL 18 6.591 -1.440 3.441
129 HG12 VAL 18 HG12 VAL 18 4.863 -1.441 3.090
130 HG13 VAL 18 HG13 VAL 18 5.920 -0.265 2.309
131 HG21 VAL 18 HG21 VAL 18 4.044 -2.230 0.888
132 HG22 VAL 18 HG22 VAL 18 5.182 -2.873 -0.302
133 HG23 VAL 18 HG23 VAL 18 5.105 -1.133 -0.004
134 HA PRO 19 HA PRO 19 8.158 -4.172 -2.754
135 HB2 PRO 19 HB2 PRO 19 7.297 -6.754 -1.636
136 HB3 PRO 19 HB3 PRO 19 8.763 -6.365 -2.550
137 HG2 PRO 19 HG2 PRO 19 8.845 -6.931 0.078
138 HG3 PRO 19 HG3 PRO 19 9.946 -5.766 -0.679
139 HD2 PRO 19 HD2 PRO 19 7.499 -5.242 0.972
140 HD3 PRO 19 HD3 PRO 19 9.059 -4.386 0.933
141 H PHE 20 H PHE 20 6.538 -4.864 -4.319
142 HA PHE 20 HA PHE 20 3.999 -3.842 -3.831
143 HB2 PHE 20 HB2 PHE 20 4.966 -4.248 -6.106
144 HB3 PHE 20 HB3 PHE 20 4.612 -5.960 -5.898
145 HD1 PHE 20 HD1 PHE 20 3.177 -2.633 -6.378
146 HD2 PHE 20 HD2 PHE 20 2.343 -6.788 -5.984
147 HE1 PHE 20 HE1 PHE 20 0.887 -2.249 -7.196
148 HE2 PHE 20 HE2 PHE 20 0.058 -6.411 -6.808
149 HZ PHE 20 HZ PHE 20 -0.672 -4.139 -7.412
150 H ASP 21 H ASP 21 5.094 -7.209 -3.649
151 HA ASP 21 HA ASP 21 2.615 -8.407 -3.196
152 HB2 ASP 21 HB2 ASP 21 3.937 -10.217 -2.048
153 HB3 ASP 21 HB3 ASP 21 4.481 -9.817 -3.675
154 H GLN 22 H GLN 22 4.925 -7.062 -0.839
155 HA GLN 22 HA GLN 22 3.342 -7.600 1.428
156 HB2 GLN 22 HB2 GLN 22 5.706 -7.001 1.633
157 HB3 GLN 22 HB3 GLN 22 5.369 -5.394 1.001
158 HG2 GLN 22 HG2 GLN 22 3.888 -4.992 2.942
159 HG3 GLN 22 HG3 GLN 22 4.380 -6.560 3.592
160 HE21 GLN 22 HE21 GLN 22 7.122 -6.319 2.686
161 HE22 GLN 22 HE22 GLN 22 7.881 -5.161 3.725
162 H CYS 23 H CYS 23 3.437 -4.903 -0.838
163 HA CYS 23 HA CYS 23 1.728 -3.153 0.552
164 HB2 CYS 23 HB2 CYS 23 3.019 -2.514 -1.520
165 HB3 CYS 23 HB3 CYS 23 1.862 -3.456 -2.465
166 H TYR 24 H TYR 24 1.011 -5.747 -1.753
167 HA TYR 24 HA TYR 24 -1.791 -5.477 -1.612
168 HB2 TYR 24 HB2 TYR 24 -0.730 -6.800 -3.393
169 HB3 TYR 24 HB3 TYR 24 -0.143 -7.963 -2.191
170 HD1 TYR 24 HD1 TYR 24 -1.450 -9.798 -1.605
171 HD2 TYR 24 HD2 TYR 24 -3.281 -6.498 -3.560
172 HE1 TYR 24 HE1 TYR 24 -3.535 -11.077 -1.802
173 HE2 TYR 24 HE2 TYR 24 -5.371 -7.767 -3.762
174 HH TYR 24 HH TYR 24 -5.952 -10.636 -2.056
175 H GLN 25 H GLN 25 0.524 -7.165 0.432
176 HA GLN 25 HA GLN 25 -1.365 -8.806 1.777
177 HB2 GLN 25 HB2 GLN 25 1.337 -7.786 2.719
178 HB3 GLN 25 HB3 GLN 25 0.388 -8.979 3.585
179 HG2 GLN 25 HG2 GLN 25 0.592 -10.515 1.644
180 HG3 GLN 25 HG3 GLN 25 1.605 -9.327 0.831
181 HE21 GLN 25 HE21 GLN 25 2.864 -8.541 3.401
182 HE22 GLN 25 HE22 GLN 25 3.988 -9.810 3.750
183 H MET 26 H MET 26 -0.087 -5.585 2.394
184 HA MET 26 HA MET 26 -1.417 -5.392 4.942
185 HB2 MET 26 HB2 MET 26 0.757 -4.375 4.692
186 HB3 MET 26 HB3 MET 26 0.204 -3.441 3.315
187 HG2 MET 26 HG2 MET 26 -1.349 -2.221 4.825
188 HG3 MET 26 HG3 MET 26 -0.639 -3.091 6.186
189 HE1 MET 26 HE1 MET 26 0.038 -0.509 3.284
190 HE2 MET 26 HE2 MET 26 1.265 -1.737 2.976
191 HE3 MET 26 HE3 MET 26 1.742 -0.138 3.536
192 H CYS 27 H CYS 27 -1.854 -3.974 1.705
193 HA CYS 27 HA CYS 27 -3.975 -2.263 2.686
194 HB2 CYS 27 HB2 CYS 27 -3.001 -2.664 -0.162
195 HB3 CYS 27 HB3 CYS 27 -4.100 -1.392 0.404
196 H SER 28 H SER 28 -3.878 -5.451 1.396
197 HA SER 28 HA SER 28 -6.276 -5.419 -0.041
198 HB2 SER 28 HB2 SER 28 -6.312 -7.927 0.353
199 HB3 SER 28 HB3 SER 28 -4.880 -7.265 -0.447
200 HG SER 28 HG SER 28 -3.690 -7.706 1.260
201 HA PRO 29 HA PRO 29 -8.534 -6.924 4.072
202 HB2 PRO 29 HB2 PRO 29 -6.923 -5.272 5.957
203 HB3 PRO 29 HB3 PRO 29 -7.705 -6.845 6.221
204 HG2 PRO 29 HG2 PRO 29 -5.080 -6.739 5.888
205 HG3 PRO 29 HG3 PRO 29 -6.031 -8.016 5.086
206 HD2 PRO 29 HD2 PRO 29 -4.891 -5.485 3.918
207 HD3 PRO 29 HD3 PRO 29 -4.949 -7.127 3.226
208 H LEU 30 H LEU 30 -7.247 -3.837 3.237
209 HA LEU 30 HA LEU 30 -9.318 -2.290 4.523
210 HB2 LEU 30 HB2 LEU 30 -6.885 -1.565 3.972
211 HB3 LEU 30 HB3 LEU 30 -7.489 -1.329 2.323
212 HG LEU 30 HG LEU 30 -8.447 0.140 4.807
213 HD11 LEU 30 HD11 LEU 30 -7.393 2.086 3.674
214 HD12 LEU 30 HD12 LEU 30 -6.716 0.974 2.484
215 HD13 LEU 30 HD13 LEU 30 -6.240 0.848 4.178
216 HD21 LEU 30 HD21 LEU 30 -9.741 1.532 3.300
217 HD22 LEU 30 HD22 LEU 30 -10.234 -0.153 3.120
218 HD23 LEU 30 HD23 LEU 30 -9.192 0.595 1.910
219 H GLU 31 H GLU 31 -8.358 -2.872 1.156
220 HA GLU 31 HA GLU 31 -10.808 -1.754 0.152
221 HB2 GLU 31 HB2 GLU 31 -8.495 -1.712 -0.987
222 HB3 GLU 31 HB3 GLU 31 -8.838 -3.383 -1.450
223 HG2 GLU 31 HG2 GLU 31 -10.521 -0.984 -2.214
224 HG3 GLU 31 HG3 GLU 31 -9.329 -1.775 -3.252
225 H ARG 32 H ARG 32 -9.372 -5.015 -0.017
226 HA ARG 32 HA ARG 32 -12.055 -5.995 -0.741
227 HB2 ARG 32 HB2 ARG 32 -10.115 -6.234 -2.435
228 HB3 ARG 32 HB3 ARG 32 -9.455 -7.438 -1.318
229 HG2 ARG 32 HG2 ARG 32 -10.622 -8.804 -2.752
230 HG3 ARG 32 HG3 ARG 32 -11.853 -8.504 -1.526
231 HD2 ARG 32 HD2 ARG 32 -11.674 -7.520 -4.334
232 HD3 ARG 32 HD3 ARG 32 -13.060 -8.122 -3.433
233 HE ARG 32 HE ARG 32 -11.899 -5.431 -3.001
234 HH11 ARG 32 HH11 ARG 32 -14.663 -7.570 -3.324
235 HH12 ARG 32 HH12 ARG 32 -15.824 -6.302 -3.124
236 HH21 ARG 32 HH21 ARG 32 -13.428 -3.761 -2.755
237 HH22 ARG 32 HH22 ARG 32 -15.127 -4.137 -2.799
238 H SER 33 H SER 33 -12.713 -6.278 1.401
239 HA SER 33 HA SER 33 -11.348 -8.482 2.817
240 HB2 SER 33 HB2 SER 33 -11.438 -6.154 3.954
241 HB3 SER 33 HB3 SER 33 -13.162 -6.466 4.164
242 HG SER 33 HG SER 33 -10.995 -8.011 5.158
Start of MODEL 33
1 HA ALA 1 HA ALA 1 -16.279 2.582 1.481
2 HB1 ALA 1 HB1 ALA 1 -17.021 3.812 -0.495
3 HB2 ALA 1 HB2 ALA 1 -18.170 4.711 0.493
4 HB3 ALA 1 HB3 ALA 1 -18.362 2.971 0.279
5 H SER 2 H SER 2 -14.357 3.449 0.902
6 HA SER 2 HA SER 2 -13.836 6.283 1.015
7 HB2 SER 2 HB2 SER 2 -13.681 5.438 3.462
8 HB3 SER 2 HB3 SER 2 -12.236 4.574 2.940
9 HG SER 2 HG SER 2 -12.336 7.026 3.750
10 HA PRO 3 HA PRO 3 -11.480 3.466 -1.959
11 HB2 PRO 3 HB2 PRO 3 -11.950 5.839 -3.690
12 HB3 PRO 3 HB3 PRO 3 -12.102 4.109 -4.069
13 HG2 PRO 3 HG2 PRO 3 -14.268 5.611 -3.707
14 HG3 PRO 3 HG3 PRO 3 -14.196 3.944 -3.104
15 HD2 PRO 3 HD2 PRO 3 -13.941 6.514 -1.557
16 HD3 PRO 3 HD3 PRO 3 -14.724 4.973 -1.091
17 H GLN 4 H GLN 4 -11.116 6.798 -0.975
18 HA GLN 4 HA GLN 4 -8.580 7.210 -2.194
19 HB2 GLN 4 HB2 GLN 4 -9.988 8.671 0.029
20 HB3 GLN 4 HB3 GLN 4 -8.401 9.143 -0.566
21 HG2 GLN 4 HG2 GLN 4 -10.912 9.007 -2.234
22 HG3 GLN 4 HG3 GLN 4 -10.203 10.479 -1.576
23 HE21 GLN 4 HE21 GLN 4 -7.462 9.595 -2.077
24 HE22 GLN 4 HE22 GLN 4 -7.221 9.734 -3.786
25 H GLN 5 H GLN 5 -9.585 6.049 0.969
26 HA GLN 5 HA GLN 5 -7.022 6.132 2.142
27 HB2 GLN 5 HB2 GLN 5 -7.867 4.858 3.934
28 HB3 GLN 5 HB3 GLN 5 -9.230 5.813 3.375
29 HG2 GLN 5 HG2 GLN 5 -10.142 3.894 2.212
30 HG3 GLN 5 HG3 GLN 5 -8.731 2.934 2.646
31 HE21 GLN 5 HE21 GLN 5 -8.580 4.050 5.341
32 HE22 GLN 5 HE22 GLN 5 -9.869 3.319 6.233
33 H ALA 6 H ALA 6 -8.646 3.767 0.176
34 HA ALA 6 HA ALA 6 -6.699 1.712 0.451
35 HB1 ALA 6 HB1 ALA 6 -8.923 1.171 -0.343
36 HB2 ALA 6 HB2 ALA 6 -7.734 0.747 -1.577
37 HB3 ALA 6 HB3 ALA 6 -8.703 2.207 -1.753
38 H LYS 7 H LYS 7 -7.226 4.280 -1.923
39 HA LYS 7 HA LYS 7 -5.081 3.570 -3.618
40 HB2 LYS 7 HB2 LYS 7 -7.004 5.086 -4.217
41 HB3 LYS 7 HB3 LYS 7 -6.252 6.333 -3.234
42 HG2 LYS 7 HG2 LYS 7 -5.714 6.742 -5.520
43 HG3 LYS 7 HG3 LYS 7 -4.237 6.202 -4.682
44 HD2 LYS 7 HD2 LYS 7 -4.605 3.914 -5.558
45 HD3 LYS 7 HD3 LYS 7 -6.043 4.477 -6.417
46 HE2 LYS 7 HE2 LYS 7 -4.131 4.356 -7.940
47 HE3 LYS 7 HE3 LYS 7 -4.638 6.030 -7.715
48 HZ1 LYS 7 HZ1 LYS 7 -2.240 5.808 -7.626
49 HZ2 LYS 7 HZ2 LYS 7 -2.360 4.719 -6.340
50 HZ3 LYS 7 HZ3 LYS 7 -2.841 6.328 -6.133
51 H TYR 8 H TYR 8 -5.343 5.660 -0.806
52 HA TYR 8 HA TYR 8 -2.758 6.774 -0.853
53 HB2 TYR 8 HB2 TYR 8 -4.628 7.571 0.592
54 HB3 TYR 8 HB3 TYR 8 -4.467 6.103 1.553
55 HD1 TYR 8 HD1 TYR 8 -2.788 9.247 0.601
56 HD2 TYR 8 HD2 TYR 8 -2.812 5.916 3.247
57 HE1 TYR 8 HE1 TYR 8 -1.149 10.383 2.039
58 HE2 TYR 8 HE2 TYR 8 -1.171 7.039 4.690
59 HH TYR 8 HH TYR 8 -0.398 10.341 4.363
60 H CYS 9 H CYS 9 -4.029 3.780 0.514
61 HA CYS 9 HA CYS 9 -1.691 3.013 1.899
62 HB2 CYS 9 HB2 CYS 9 -3.963 2.038 2.290
63 HB3 CYS 9 HB3 CYS 9 -3.826 1.185 0.746
64 H TYR 10 H TYR 10 -2.900 2.099 -1.329
65 HA TYR 10 HA TYR 10 -0.664 0.465 -1.964
66 HB2 TYR 10 HB2 TYR 10 -2.786 1.774 -3.674
67 HB3 TYR 10 HB3 TYR 10 -1.476 0.817 -4.366
68 HD1 TYR 10 HD1 TYR 10 -1.290 -1.604 -3.771
69 HD2 TYR 10 HD2 TYR 10 -4.689 0.738 -2.729
70 HE1 TYR 10 HE1 TYR 10 -2.610 -3.659 -3.481
71 HE2 TYR 10 HE2 TYR 10 -6.010 -1.302 -2.433
72 HH TYR 10 HH TYR 10 -6.021 -3.611 -3.183
73 H GLU 11 H GLU 11 -1.268 3.896 -2.250
74 HA GLU 11 HA GLU 11 0.926 4.394 -4.010
75 HB2 GLU 11 HB2 GLU 11 -1.221 5.910 -2.951
76 HB3 GLU 11 HB3 GLU 11 0.273 6.688 -2.396
77 HG2 GLU 11 HG2 GLU 11 -0.469 6.084 -5.272
78 HG3 GLU 11 HG3 GLU 11 -0.491 7.673 -4.474
79 H GLN 12 H GLN 12 0.430 4.955 -0.523
80 HA GLN 12 HA GLN 12 3.077 5.918 -0.177
81 HB2 GLN 12 HB2 GLN 12 0.910 5.160 1.773
82 HB3 GLN 12 HB3 GLN 12 2.469 5.796 2.276
83 HG2 GLN 12 HG2 GLN 12 0.918 7.292 0.241
84 HG3 GLN 12 HG3 GLN 12 0.397 7.355 1.918
85 HE21 GLN 12 HE21 GLN 12 3.749 6.981 1.108
86 HE22 GLN 12 HE22 GLN 12 4.242 8.568 1.591
87 H CYS 13 H CYS 13 1.774 2.745 -0.221
88 HA CYS 13 HA CYS 13 3.375 1.501 1.712
89 HB2 CYS 13 HB2 CYS 13 2.840 -0.598 0.628
90 HB3 CYS 13 HB3 CYS 13 1.412 0.437 0.521
91 H ASN 14 H ASN 14 3.982 1.748 -1.812
92 HA ASN 14 HA ASN 14 6.683 0.828 -1.518
93 HB2 ASN 14 HB2 ASN 14 6.909 1.488 -3.925
94 HB3 ASN 14 HB3 ASN 14 5.571 0.397 -3.601
95 HD21 ASN 14 HD21 ASN 14 6.406 3.754 -4.386
96 HD22 ASN 14 HD22 ASN 14 4.826 4.175 -4.951
97 H VAL 15 H VAL 15 5.153 3.964 -1.527
98 HA VAL 15 HA VAL 15 7.445 5.526 -2.009
99 HB VAL 15 HB VAL 15 4.938 6.211 -0.466
100 HG11 VAL 15 HG11 VAL 15 6.777 7.647 0.261
101 HG12 VAL 15 HG12 VAL 15 5.613 8.560 -0.700
102 HG13 VAL 15 HG13 VAL 15 7.139 8.046 -1.417
103 HG21 VAL 15 HG21 VAL 15 4.359 7.484 -2.499
104 HG22 VAL 15 HG22 VAL 15 4.535 5.762 -2.827
105 HG23 VAL 15 HG23 VAL 15 5.820 6.880 -3.277
106 H ASN 16 H ASN 16 6.018 4.254 0.981
107 HA ASN 16 HA ASN 16 7.960 5.477 2.685
108 HB2 ASN 16 HB2 ASN 16 6.167 3.067 3.161
109 HB3 ASN 16 HB3 ASN 16 7.123 3.884 4.406
110 HD21 ASN 16 HD21 ASN 16 4.238 3.556 4.353
111 HD22 ASN 16 HD22 ASN 16 3.571 5.155 4.337
112 H LYS 17 H LYS 17 7.494 1.969 2.384
113 HA LYS 17 HA LYS 17 9.619 1.357 0.769
114 HB2 LYS 17 HB2 LYS 17 11.111 2.247 2.513
115 HB3 LYS 17 HB3 LYS 17 10.420 1.104 3.676
116 HG2 LYS 17 HG2 LYS 17 11.274 -0.771 2.385
117 HG3 LYS 17 HG3 LYS 17 11.911 0.333 1.163
118 HD2 LYS 17 HD2 LYS 17 13.491 1.261 2.682
119 HD3 LYS 17 HD3 LYS 17 12.753 0.440 4.075
120 HE2 LYS 17 HE2 LYS 17 14.809 -0.685 3.372
121 HE3 LYS 17 HE3 LYS 17 13.410 -1.728 3.119
122 HZ1 LYS 17 HZ1 LYS 17 14.768 -0.128 1.017
123 HZ2 LYS 17 HZ2 LYS 17 13.442 -1.147 0.779
124 HZ3 LYS 17 HZ3 LYS 17 14.930 -1.796 1.244
125 H VAL 18 H VAL 18 7.797 -0.117 0.195
126 HA VAL 18 HA VAL 18 8.220 -2.624 1.625
127 HB VAL 18 HB VAL 18 6.008 -3.186 2.081
128 HG11 VAL 18 HG11 VAL 18 4.959 -1.402 3.340
129 HG12 VAL 18 HG12 VAL 18 5.976 -0.205 2.536
130 HG13 VAL 18 HG13 VAL 18 6.705 -1.406 3.603
131 HG21 VAL 18 HG21 VAL 18 5.132 -2.703 -0.126
132 HG22 VAL 18 HG22 VAL 18 5.064 -0.984 0.261
133 HG23 VAL 18 HG23 VAL 18 4.039 -2.126 1.132
134 HA PRO 19 HA PRO 19 8.064 -4.261 -2.569
135 HB2 PRO 19 HB2 PRO 19 7.067 -6.728 -1.292
136 HB3 PRO 19 HB3 PRO 19 8.516 -6.487 -2.284
137 HG2 PRO 19 HG2 PRO 19 8.697 -6.903 0.358
138 HG3 PRO 19 HG3 PRO 19 9.801 -5.811 -0.500
139 HD2 PRO 19 HD2 PRO 19 7.434 -5.132 1.215
140 HD3 PRO 19 HD3 PRO 19 9.020 -4.333 1.087
141 H PHE 20 H PHE 20 6.419 -4.892 -4.103
142 HA PHE 20 HA PHE 20 3.884 -3.797 -3.628
143 HB2 PHE 20 HB2 PHE 20 4.863 -4.159 -5.899
144 HB3 PHE 20 HB3 PHE 20 4.546 -5.882 -5.723
145 HD1 PHE 20 HD1 PHE 20 2.299 -6.759 -5.846
146 HD2 PHE 20 HD2 PHE 20 3.047 -2.582 -6.198
147 HE1 PHE 20 HE1 PHE 20 0.018 -6.426 -6.703
148 HE2 PHE 20 HE2 PHE 20 0.763 -2.243 -7.053
149 HZ PHE 20 HZ PHE 20 -0.753 -4.166 -7.303
150 H ASP 21 H ASP 21 4.980 -7.160 -3.403
151 HA ASP 21 HA ASP 21 2.466 -8.323 -2.955
152 HB2 ASP 21 HB2 ASP 21 3.661 -10.195 -1.926
153 HB3 ASP 21 HB3 ASP 21 4.449 -9.690 -3.415
154 H GLN 22 H GLN 22 4.704 -6.701 -0.780
155 HA GLN 22 HA GLN 22 3.264 -7.239 1.599
156 HB2 GLN 22 HB2 GLN 22 5.618 -6.555 1.625
157 HB3 GLN 22 HB3 GLN 22 5.166 -4.972 0.996
158 HG2 GLN 22 HG2 GLN 22 5.517 -4.831 3.365
159 HG3 GLN 22 HG3 GLN 22 3.798 -4.598 3.007
160 HE21 GLN 22 HE21 GLN 22 3.128 -5.199 5.041
161 HE22 GLN 22 HE22 GLN 22 3.198 -6.833 5.601
162 H CYS 23 H CYS 23 3.210 -4.581 -0.771
163 HA CYS 23 HA CYS 23 1.282 -2.966 0.445
164 HB2 CYS 23 HB2 CYS 23 1.516 -3.558 -2.527
165 HB3 CYS 23 HB3 CYS 23 0.685 -2.187 -1.809
166 H TYR 24 H TYR 24 0.931 -5.808 -1.601
167 HA TYR 24 HA TYR 24 -1.881 -5.827 -1.730
168 HB2 TYR 24 HB2 TYR 24 -0.266 -7.095 -3.216
169 HB3 TYR 24 HB3 TYR 24 -0.055 -8.238 -1.881
170 HD1 TYR 24 HD1 TYR 24 -1.916 -9.689 -1.199
171 HD2 TYR 24 HD2 TYR 24 -2.230 -7.104 -4.555
172 HE1 TYR 24 HE1 TYR 24 -3.850 -10.968 -1.996
173 HE2 TYR 24 HE2 TYR 24 -4.166 -8.381 -5.365
174 HH TYR 24 HH TYR 24 -5.834 -10.602 -3.464
175 H GLN 25 H GLN 25 0.388 -7.067 0.652
176 HA GLN 25 HA GLN 25 -1.512 -8.797 1.922
177 HB2 GLN 25 HB2 GLN 25 1.212 -7.787 2.730
178 HB3 GLN 25 HB3 GLN 25 0.223 -8.732 3.833
179 HG2 GLN 25 HG2 GLN 25 1.114 -9.672 1.097
180 HG3 GLN 25 HG3 GLN 25 1.873 -10.114 2.625
181 HE21 GLN 25 HE21 GLN 25 0.590 -11.770 0.600
182 HE22 GLN 25 HE22 GLN 25 -0.656 -12.642 1.427
183 H MET 26 H MET 26 -0.470 -5.488 2.376
184 HA MET 26 HA MET 26 -2.029 -5.251 4.810
185 HB2 MET 26 HB2 MET 26 0.081 -4.160 4.894
186 HB3 MET 26 HB3 MET 26 -0.182 -3.394 3.337
187 HG2 MET 26 HG2 MET 26 -1.935 -1.989 4.319
188 HG3 MET 26 HG3 MET 26 -1.661 -2.752 5.886
189 HE1 MET 26 HE1 MET 26 1.287 -1.938 3.369
190 HE2 MET 26 HE2 MET 26 1.606 -0.251 3.768
191 HE3 MET 26 HE3 MET 26 0.085 -0.701 3.001
192 H CYS 27 H CYS 27 -2.031 -3.835 1.539
193 HA CYS 27 HA CYS 27 -4.247 -2.125 2.248
194 HB2 CYS 27 HB2 CYS 27 -2.967 -2.502 -0.474
195 HB3 CYS 27 HB3 CYS 27 -3.989 -1.154 0.060
196 H SER 28 H SER 28 -3.862 -5.100 0.368
197 HA SER 28 HA SER 28 -6.285 -4.875 -1.019
198 HB2 SER 28 HB2 SER 28 -4.744 -7.382 -0.354
199 HB3 SER 28 HB3 SER 28 -6.053 -7.262 -1.540
200 HG SER 28 HG SER 28 -4.571 -5.382 -2.305
201 HA PRO 29 HA PRO 29 -8.286 -7.568 2.633
202 HB2 PRO 29 HB2 PRO 29 -6.539 -6.335 4.724
203 HB3 PRO 29 HB3 PRO 29 -7.343 -7.918 4.723
204 HG2 PRO 29 HG2 PRO 29 -4.753 -7.799 4.215
205 HG3 PRO 29 HG3 PRO 29 -5.796 -8.850 3.224
206 HD2 PRO 29 HD2 PRO 29 -4.627 -6.160 2.556
207 HD3 PRO 29 HD3 PRO 29 -4.836 -7.592 1.520
208 H LEU 30 H LEU 30 -6.811 -4.413 3.246
209 HA LEU 30 HA LEU 30 -8.968 -3.126 4.501
210 HB2 LEU 30 HB2 LEU 30 -6.539 -2.330 4.223
211 HB3 LEU 30 HB3 LEU 30 -6.996 -1.847 2.583
212 HG LEU 30 HG LEU 30 -7.992 -0.670 5.200
213 HD11 LEU 30 HD11 LEU 30 -5.770 0.051 4.499
214 HD12 LEU 30 HD12 LEU 30 -6.934 1.364 4.324
215 HD13 LEU 30 HD13 LEU 30 -6.394 0.470 2.901
216 HD21 LEU 30 HD21 LEU 30 -9.844 -0.750 3.583
217 HD22 LEU 30 HD22 LEU 30 -8.831 0.061 2.387
218 HD23 LEU 30 HD23 LEU 30 -9.295 0.903 3.867
219 H GLU 31 H GLU 31 -7.916 -3.051 1.150
220 HA GLU 31 HA GLU 31 -9.946 -1.416 0.157
221 HB2 GLU 31 HB2 GLU 31 -7.815 -1.784 -0.996
222 HB3 GLU 31 HB3 GLU 31 -8.251 -3.471 -1.283
223 HG2 GLU 31 HG2 GLU 31 -10.093 -2.753 -2.720
224 HG3 GLU 31 HG3 GLU 31 -9.659 -1.061 -2.442
225 H ARG 32 H ARG 32 -9.644 -4.949 -0.210
226 HA ARG 32 HA ARG 32 -12.544 -5.191 -0.084
227 HB2 ARG 32 HB2 ARG 32 -10.918 -6.018 -2.504
228 HB3 ARG 32 HB3 ARG 32 -12.506 -6.703 -2.158
229 HG2 ARG 32 HG2 ARG 32 -11.999 -3.736 -2.540
230 HG3 ARG 32 HG3 ARG 32 -12.461 -4.815 -3.853
231 HD2 ARG 32 HD2 ARG 32 -14.394 -3.620 -3.030
232 HD3 ARG 32 HD3 ARG 32 -14.567 -5.330 -2.661
233 HE ARG 32 HE ARG 32 -13.481 -3.618 -0.561
234 HH11 ARG 32 HH11 ARG 32 -16.244 -5.311 -1.890
235 HH12 ARG 32 HH12 ARG 32 -17.144 -5.264 -0.407
236 HH21 ARG 32 HH21 ARG 32 -14.688 -3.523 1.386
237 HH22 ARG 32 HH22 ARG 32 -16.263 -4.252 1.452
238 H SER 33 H SER 33 -12.998 -6.847 1.196
239 HA SER 33 HA SER 33 -11.549 -9.335 1.036
240 HB2 SER 33 HB2 SER 33 -10.246 -7.703 2.626
241 HB3 SER 33 HB3 SER 33 -11.552 -8.047 3.759
242 HG SER 33 HG SER 33 -9.720 -9.871 2.590
Start of MODEL 34
1 HA ALA 1 HA ALA 1 -15.256 -0.199 -0.118
2 HB1 ALA 1 HB1 ALA 1 -16.064 1.440 -1.736
3 HB2 ALA 1 HB2 ALA 1 -17.397 1.854 -0.659
4 HB3 ALA 1 HB3 ALA 1 -17.306 0.242 -1.370
5 H SER 2 H SER 2 -13.753 1.508 -0.691
6 HA SER 2 HA SER 2 -13.572 3.971 0.691
7 HB2 SER 2 HB2 SER 2 -13.196 2.187 2.562
8 HB3 SER 2 HB3 SER 2 -11.640 1.913 1.780
9 HG SER 2 HG SER 2 -11.455 3.444 3.439
10 HA PRO 3 HA PRO 3 -10.877 2.631 -3.023
11 HB2 PRO 3 HB2 PRO 3 -11.596 4.816 -4.585
12 HB3 PRO 3 HB3 PRO 3 -12.293 3.187 -4.717
13 HG2 PRO 3 HG2 PRO 3 -13.346 5.618 -3.364
14 HG3 PRO 3 HG3 PRO 3 -14.222 4.326 -4.207
15 HD2 PRO 3 HD2 PRO 3 -14.135 4.531 -1.488
16 HD3 PRO 3 HD3 PRO 3 -14.230 2.945 -2.308
17 H GLN 4 H GLN 4 -11.431 5.899 -1.749
18 HA GLN 4 HA GLN 4 -8.994 6.978 -2.718
19 HB2 GLN 4 HB2 GLN 4 -10.754 7.889 -0.436
20 HB3 GLN 4 HB3 GLN 4 -9.377 8.795 -1.029
21 HG2 GLN 4 HG2 GLN 4 -10.474 9.026 -3.220
22 HG3 GLN 4 HG3 GLN 4 -11.865 8.129 -2.607
23 HE21 GLN 4 HE21 GLN 4 -13.273 9.879 -2.927
24 HE22 GLN 4 HE22 GLN 4 -13.231 11.288 -1.918
25 H GLN 5 H GLN 5 -9.932 5.580 0.383
26 HA GLN 5 HA GLN 5 -7.428 6.029 1.635
27 HB2 GLN 5 HB2 GLN 5 -9.655 4.104 2.277
28 HB3 GLN 5 HB3 GLN 5 -8.200 4.242 3.252
29 HG2 GLN 5 HG2 GLN 5 -10.125 6.500 2.703
30 HG3 GLN 5 HG3 GLN 5 -10.105 5.522 4.167
31 HE21 GLN 5 HE21 GLN 5 -7.172 5.377 4.222
32 HE22 GLN 5 HE22 GLN 5 -6.640 6.936 4.752
33 H ALA 6 H ALA 6 -8.784 3.363 -0.195
34 HA ALA 6 HA ALA 6 -6.694 1.521 0.188
35 HB1 ALA 6 HB1 ALA 6 -8.828 0.845 -0.777
36 HB2 ALA 6 HB2 ALA 6 -7.497 0.441 -1.863
37 HB3 ALA 6 HB3 ALA 6 -8.510 1.837 -2.199
38 H LYS 7 H LYS 7 -7.172 4.059 -2.248
39 HA LYS 7 HA LYS 7 -4.863 3.384 -3.742
40 HB2 LYS 7 HB2 LYS 7 -6.798 4.793 -4.559
41 HB3 LYS 7 HB3 LYS 7 -6.150 6.113 -3.598
42 HG2 LYS 7 HG2 LYS 7 -5.506 6.280 -5.956
43 HG3 LYS 7 HG3 LYS 7 -4.092 6.103 -4.881
44 HD2 LYS 7 HD2 LYS 7 -4.006 3.693 -5.409
45 HD3 LYS 7 HD3 LYS 7 -5.402 3.869 -6.476
46 HE2 LYS 7 HE2 LYS 7 -3.301 3.825 -7.751
47 HE3 LYS 7 HE3 LYS 7 -4.119 5.379 -7.909
48 HZ1 LYS 7 HZ1 LYS 7 -2.611 6.333 -6.325
49 HZ2 LYS 7 HZ2 LYS 7 -1.719 5.588 -7.551
50 HZ3 LYS 7 HZ3 LYS 7 -1.878 4.836 -6.046
51 H TYR 8 H TYR 8 -5.446 5.506 -1.012
52 HA TYR 8 HA TYR 8 -2.923 6.756 -0.929
53 HB2 TYR 8 HB2 TYR 8 -4.974 7.458 0.362
54 HB3 TYR 8 HB3 TYR 8 -4.682 6.089 1.436
55 HD1 TYR 8 HD1 TYR 8 -3.086 6.224 3.185
56 HD2 TYR 8 HD2 TYR 8 -3.291 9.290 0.243
57 HE1 TYR 8 HE1 TYR 8 -1.597 7.627 4.554
58 HE2 TYR 8 HE2 TYR 8 -1.805 10.702 1.599
59 HH TYR 8 HH TYR 8 0.031 9.558 4.124
60 H CYS 9 H CYS 9 -4.153 3.758 0.462
61 HA CYS 9 HA CYS 9 -1.899 3.089 2.002
62 HB2 CYS 9 HB2 CYS 9 -4.152 2.004 2.184
63 HB3 CYS 9 HB3 CYS 9 -3.829 1.155 0.667
64 H TYR 10 H TYR 10 -2.783 2.189 -1.317
65 HA TYR 10 HA TYR 10 -0.431 0.650 -1.786
66 HB2 TYR 10 HB2 TYR 10 -2.545 1.798 -3.621
67 HB3 TYR 10 HB3 TYR 10 -1.141 0.922 -4.239
68 HD1 TYR 10 HD1 TYR 10 -4.396 0.632 -2.659
69 HD2 TYR 10 HD2 TYR 10 -0.827 -1.456 -3.647
70 HE1 TYR 10 HE1 TYR 10 -5.563 -1.498 -2.348
71 HE2 TYR 10 HE2 TYR 10 -1.984 -3.588 -3.338
72 HH TYR 10 HH TYR 10 -5.388 -3.820 -3.054
73 H GLU 11 H GLU 11 -1.207 4.034 -2.162
74 HA GLU 11 HA GLU 11 0.995 4.686 -3.835
75 HB2 GLU 11 HB2 GLU 11 -1.206 6.056 -3.080
76 HB3 GLU 11 HB3 GLU 11 -0.045 6.701 -1.904
77 HG2 GLU 11 HG2 GLU 11 0.284 6.796 -4.915
78 HG3 GLU 11 HG3 GLU 11 -0.279 8.127 -3.884
79 H GLN 12 H GLN 12 0.446 5.039 -0.337
80 HA GLN 12 HA GLN 12 3.070 6.129 0.029
81 HB2 GLN 12 HB2 GLN 12 1.007 5.345 2.095
82 HB3 GLN 12 HB3 GLN 12 2.440 6.311 2.382
83 HG2 GLN 12 HG2 GLN 12 0.492 7.177 0.318
84 HG3 GLN 12 HG3 GLN 12 0.138 7.438 2.015
85 HE21 GLN 12 HE21 GLN 12 3.409 7.507 0.883
86 HE22 GLN 12 HE22 GLN 12 3.630 9.219 1.020
87 H CYS 13 H CYS 13 1.805 2.933 0.083
88 HA CYS 13 HA CYS 13 3.418 1.809 2.099
89 HB2 CYS 13 HB2 CYS 13 2.928 -0.365 1.042
90 HB3 CYS 13 HB3 CYS 13 1.468 0.628 1.139
91 H ASN 14 H ASN 14 3.938 1.703 -1.445
92 HA ASN 14 HA ASN 14 6.604 0.764 -1.133
93 HB2 ASN 14 HB2 ASN 14 6.839 1.268 -3.580
94 HB3 ASN 14 HB3 ASN 14 5.501 0.213 -3.169
95 HD21 ASN 14 HD21 ASN 14 5.638 3.777 -2.997
96 HD22 ASN 14 HD22 ASN 14 4.363 4.021 -4.143
97 H VAL 15 H VAL 15 5.212 3.934 -1.178
98 HA VAL 15 HA VAL 15 7.540 5.415 -1.760
99 HB VAL 15 HB VAL 15 5.094 6.164 -0.152
100 HG11 VAL 15 HG11 VAL 15 6.955 7.526 0.621
101 HG12 VAL 15 HG12 VAL 15 5.862 8.502 -0.360
102 HG13 VAL 15 HG13 VAL 15 7.382 7.926 -1.042
103 HG21 VAL 15 HG21 VAL 15 5.984 6.971 -2.922
104 HG22 VAL 15 HG22 VAL 15 4.488 7.450 -2.124
105 HG23 VAL 15 HG23 VAL 15 4.752 5.764 -2.564
106 H ASN 16 H ASN 16 6.196 4.176 1.283
107 HA ASN 16 HA ASN 16 8.276 5.259 2.911
108 HB2 ASN 16 HB2 ASN 16 6.503 2.840 3.419
109 HB3 ASN 16 HB3 ASN 16 7.513 3.649 4.622
110 HD21 ASN 16 HD21 ASN 16 6.860 6.304 3.499
111 HD22 ASN 16 HD22 ASN 16 5.253 6.639 4.048
112 H LYS 17 H LYS 17 7.677 1.793 2.426
113 HA LYS 17 HA LYS 17 9.788 1.225 0.748
114 HB2 LYS 17 HB2 LYS 17 11.198 1.954 2.697
115 HB3 LYS 17 HB3 LYS 17 10.526 0.597 3.612
116 HG2 LYS 17 HG2 LYS 17 11.470 -0.975 1.987
117 HG3 LYS 17 HG3 LYS 17 12.141 0.379 1.068
118 HD2 LYS 17 HD2 LYS 17 13.500 1.046 2.979
119 HD3 LYS 17 HD3 LYS 17 12.832 -0.281 3.953
120 HE2 LYS 17 HE2 LYS 17 14.463 -0.550 1.416
121 HE3 LYS 17 HE3 LYS 17 15.045 -0.839 3.053
122 HZ1 LYS 17 HZ1 LYS 17 13.427 -2.641 3.246
123 HZ2 LYS 17 HZ2 LYS 17 14.499 -2.905 1.969
124 HZ3 LYS 17 HZ3 LYS 17 12.925 -2.377 1.652
125 H VAL 18 H VAL 18 7.917 -0.117 0.035
126 HA VAL 18 HA VAL 18 8.167 -2.744 1.242
127 HB VAL 18 HB VAL 18 6.020 -3.167 1.887
128 HG11 VAL 18 HG11 VAL 18 4.990 -1.334 3.080
129 HG12 VAL 18 HG12 VAL 18 5.952 -0.167 2.173
130 HG13 VAL 18 HG13 VAL 18 6.742 -1.293 3.276
131 HG21 VAL 18 HG21 VAL 18 4.004 -2.177 0.957
132 HG22 VAL 18 HG22 VAL 18 5.057 -2.831 -0.303
133 HG23 VAL 18 HG23 VAL 18 4.985 -1.088 -0.029
134 HA PRO 19 HA PRO 19 7.798 -3.895 -3.096
135 HB2 PRO 19 HB2 PRO 19 7.196 -6.572 -2.026
136 HB3 PRO 19 HB3 PRO 19 8.529 -6.061 -3.076
137 HG2 PRO 19 HG2 PRO 19 8.955 -6.732 -0.513
138 HG3 PRO 19 HG3 PRO 19 9.872 -5.440 -1.313
139 HD2 PRO 19 HD2 PRO 19 7.558 -5.204 0.592
140 HD3 PRO 19 HD3 PRO 19 9.059 -4.252 0.492
141 H PHE 20 H PHE 20 6.077 -4.645 -4.526
142 HA PHE 20 HA PHE 20 3.578 -3.685 -3.808
143 HB2 PHE 20 HB2 PHE 20 4.348 -4.054 -6.159
144 HB3 PHE 20 HB3 PHE 20 4.050 -5.776 -5.942
145 HD1 PHE 20 HD1 PHE 20 1.804 -6.656 -5.890
146 HD2 PHE 20 HD2 PHE 20 2.507 -2.476 -6.244
147 HE1 PHE 20 HE1 PHE 20 -0.548 -6.317 -6.529
148 HE2 PHE 20 HE2 PHE 20 0.156 -2.129 -6.885
149 HZ PHE 20 HZ PHE 20 -1.375 -4.051 -7.027
150 H ASP 21 H ASP 21 4.708 -7.054 -3.759
151 HA ASP 21 HA ASP 21 2.232 -8.228 -3.152
152 HB2 ASP 21 HB2 ASP 21 3.603 -10.151 -2.293
153 HB3 ASP 21 HB3 ASP 21 3.987 -9.642 -3.936
154 H GLN 22 H GLN 22 4.724 -6.879 -1.022
155 HA GLN 22 HA GLN 22 3.394 -7.588 1.391
156 HB2 GLN 22 HB2 GLN 22 5.759 -6.983 1.424
157 HB3 GLN 22 HB3 GLN 22 5.379 -5.364 0.843
158 HG2 GLN 22 HG2 GLN 22 4.039 -5.008 2.906
159 HG3 GLN 22 HG3 GLN 22 4.621 -6.569 3.493
160 HE21 GLN 22 HE21 GLN 22 7.273 -6.222 2.332
161 HE22 GLN 22 HE22 GLN 22 8.083 -5.061 3.332
162 H CYS 23 H CYS 23 3.306 -4.779 -0.744
163 HA CYS 23 HA CYS 23 1.676 -3.130 0.860
164 HB2 CYS 23 HB2 CYS 23 2.872 -2.386 -1.255
165 HB3 CYS 23 HB3 CYS 23 1.612 -3.216 -2.171
166 H TYR 24 H TYR 24 0.845 -5.486 -1.650
167 HA TYR 24 HA TYR 24 -1.931 -5.296 -1.465
168 HB2 TYR 24 HB2 TYR 24 -0.661 -6.598 -3.215
169 HB3 TYR 24 HB3 TYR 24 -0.359 -7.839 -1.989
170 HD1 TYR 24 HD1 TYR 24 -2.853 -6.321 -4.178
171 HD2 TYR 24 HD2 TYR 24 -2.165 -9.253 -1.186
172 HE1 TYR 24 HE1 TYR 24 -4.999 -7.377 -4.724
173 HE2 TYR 24 HE2 TYR 24 -4.305 -10.319 -1.723
174 HH TYR 24 HH TYR 24 -6.081 -9.568 -4.515
175 H GLN 25 H GLN 25 0.394 -6.994 0.561
176 HA GLN 25 HA GLN 25 -1.450 -8.717 1.831
177 HB2 GLN 25 HB2 GLN 25 0.993 -9.088 1.850
178 HB3 GLN 25 HB3 GLN 25 1.200 -7.644 2.842
179 HG2 GLN 25 HG2 GLN 25 1.322 -9.617 4.228
180 HG3 GLN 25 HG3 GLN 25 -0.136 -8.707 4.626
181 HE21 GLN 25 HE21 GLN 25 -1.240 -10.437 5.455
182 HE22 GLN 25 HE22 GLN 25 -1.799 -11.757 4.488
183 H MET 26 H MET 26 -0.254 -5.485 2.607
184 HA MET 26 HA MET 26 -1.709 -5.405 5.095
185 HB2 MET 26 HB2 MET 26 0.377 -4.269 5.100
186 HB3 MET 26 HB3 MET 26 0.003 -3.434 3.602
187 HG2 MET 26 HG2 MET 26 -1.761 -2.162 4.802
188 HG3 MET 26 HG3 MET 26 -1.243 -2.936 6.301
189 HE1 MET 26 HE1 MET 26 1.348 -1.880 3.464
190 HE2 MET 26 HE2 MET 26 1.522 -0.167 3.835
191 HE3 MET 26 HE3 MET 26 -0.022 -0.790 3.256
192 H CYS 27 H CYS 27 -2.018 -3.931 1.876
193 HA CYS 27 HA CYS 27 -4.228 -2.292 2.738
194 HB2 CYS 27 HB2 CYS 27 -3.240 -2.757 -0.096
195 HB3 CYS 27 HB3 CYS 27 -4.275 -1.435 0.476
196 H SER 28 H SER 28 -3.982 -5.508 1.512
197 HA SER 28 HA SER 28 -6.326 -5.662 0.029
198 HB2 SER 28 HB2 SER 28 -6.311 -8.147 0.690
199 HB3 SER 28 HB3 SER 28 -4.931 -7.512 -0.216
200 HG SER 28 HG SER 28 -3.689 -7.653 1.529
201 HA PRO 29 HA PRO 29 -8.702 -6.957 4.177
202 HB2 PRO 29 HB2 PRO 29 -7.167 -5.078 5.920
203 HB3 PRO 29 HB3 PRO 29 -7.958 -6.608 6.342
204 HG2 PRO 29 HG2 PRO 29 -5.330 -6.550 6.074
205 HG3 PRO 29 HG3 PRO 29 -6.262 -7.905 5.381
206 HD2 PRO 29 HD2 PRO 29 -5.057 -5.524 3.993
207 HD3 PRO 29 HD3 PRO 29 -5.142 -7.222 3.461
208 H LEU 30 H LEU 30 -7.332 -3.847 3.425
209 HA LEU 30 HA LEU 30 -9.627 -2.309 4.249
210 HB2 LEU 30 HB2 LEU 30 -7.154 -1.570 4.208
211 HB3 LEU 30 HB3 LEU 30 -7.359 -1.418 2.455
212 HG LEU 30 HG LEU 30 -8.834 0.178 4.577
213 HD11 LEU 30 HD11 LEU 30 -7.522 2.058 3.652
214 HD12 LEU 30 HD12 LEU 30 -6.639 0.911 2.641
215 HD13 LEU 30 HD13 LEU 30 -6.512 0.820 4.399
216 HD21 LEU 30 HD21 LEU 30 -9.718 1.501 2.738
217 HD22 LEU 30 HD22 LEU 30 -10.215 -0.185 2.567
218 HD23 LEU 30 HD23 LEU 30 -8.912 0.460 1.567
219 H GLU 31 H GLU 31 -8.047 -3.046 1.175
220 HA GLU 31 HA GLU 31 -10.054 -1.776 -0.394
221 HB2 GLU 31 HB2 GLU 31 -7.684 -1.943 -1.096
222 HB3 GLU 31 HB3 GLU 31 -7.866 -3.694 -1.243
223 HG2 GLU 31 HG2 GLU 31 -9.513 -3.379 -3.020
224 HG3 GLU 31 HG3 GLU 31 -9.341 -1.626 -2.881
225 H ARG 32 H ARG 32 -9.646 -5.019 0.773
226 HA ARG 32 HA ARG 32 -12.118 -5.776 -0.595
227 HB2 ARG 32 HB2 ARG 32 -9.899 -6.569 -1.791
228 HB3 ARG 32 HB3 ARG 32 -9.824 -7.728 -0.458
229 HG2 ARG 32 HG2 ARG 32 -10.885 -8.959 -2.109
230 HG3 ARG 32 HG3 ARG 32 -12.251 -8.339 -1.183
231 HD2 ARG 32 HD2 ARG 32 -12.497 -8.186 -3.673
232 HD3 ARG 32 HD3 ARG 32 -12.704 -6.657 -2.828
233 HE ARG 32 HE ARG 32 -10.069 -7.300 -3.932
234 HH11 ARG 32 HH11 ARG 32 -13.019 -5.422 -4.133
235 HH12 ARG 32 HH12 ARG 32 -12.345 -4.249 -5.221
236 HH21 ARG 32 HH21 ARG 32 -9.186 -5.765 -5.372
237 HH22 ARG 32 HH22 ARG 32 -10.170 -4.449 -5.929
238 H SER 33 H SER 33 -13.489 -6.425 0.946
239 HA SER 33 HA SER 33 -12.361 -7.775 3.313
240 HB2 SER 33 HB2 SER 33 -14.710 -5.856 3.381
241 HB3 SER 33 HB3 SER 33 -13.867 -6.563 4.757
242 HG SER 33 HG SER 33 -11.945 -5.426 3.880
Start of MODEL 35
1 HA ALA 1 HA ALA 1 -16.983 3.677 0.027
2 HB1 ALA 1 HB1 ALA 1 -18.825 5.825 1.067
3 HB2 ALA 1 HB2 ALA 1 -19.333 4.339 0.267
4 HB3 ALA 1 HB3 ALA 1 -18.397 5.540 -0.620
5 H SER 2 H SER 2 -14.894 4.198 -0.050
6 HA SER 2 HA SER 2 -14.064 6.905 0.078
7 HB2 SER 2 HB2 SER 2 -14.218 6.277 2.576
8 HB3 SER 2 HB3 SER 2 -12.866 5.188 2.273
9 HG SER 2 HG SER 2 -12.883 7.995 1.827
10 HA PRO 3 HA PRO 3 -11.666 3.680 -2.463
11 HB2 PRO 3 HB2 PRO 3 -11.882 6.017 -4.316
12 HB3 PRO 3 HB3 PRO 3 -11.997 4.277 -4.673
13 HG2 PRO 3 HG2 PRO 3 -14.188 5.753 -4.606
14 HG3 PRO 3 HG3 PRO 3 -14.177 4.135 -3.872
15 HD2 PRO 3 HD2 PRO 3 -14.042 6.819 -2.503
16 HD3 PRO 3 HD3 PRO 3 -14.903 5.328 -2.012
17 H GLN 4 H GLN 4 -11.296 7.082 -1.751
18 HA GLN 4 HA GLN 4 -8.659 7.467 -2.573
19 HB2 GLN 4 HB2 GLN 4 -10.127 9.320 -2.009
20 HB3 GLN 4 HB3 GLN 4 -10.221 8.772 -0.342
21 HG2 GLN 4 HG2 GLN 4 -7.866 9.264 -0.019
22 HG3 GLN 4 HG3 GLN 4 -7.713 9.747 -1.706
23 HE21 GLN 4 HE21 GLN 4 -10.527 10.507 0.217
24 HE22 GLN 4 HE22 GLN 4 -10.233 12.211 0.320
25 H GLN 5 H GLN 5 -9.971 6.181 0.435
26 HA GLN 5 HA GLN 5 -7.550 6.282 1.890
27 HB2 GLN 5 HB2 GLN 5 -8.623 5.065 3.585
28 HB3 GLN 5 HB3 GLN 5 -9.925 5.958 2.817
29 HG2 GLN 5 HG2 GLN 5 -10.421 3.892 1.480
30 HG3 GLN 5 HG3 GLN 5 -9.260 3.043 2.493
31 HE21 GLN 5 HE21 GLN 5 -10.043 4.642 4.866
32 HE22 GLN 5 HE22 GLN 5 -11.569 3.997 5.369
33 H ALA 6 H ALA 6 -8.946 3.894 -0.235
34 HA ALA 6 HA ALA 6 -6.961 1.897 0.248
35 HB1 ALA 6 HB1 ALA 6 -9.119 1.240 -0.646
36 HB2 ALA 6 HB2 ALA 6 -7.841 0.816 -1.788
37 HB3 ALA 6 HB3 ALA 6 -8.850 2.232 -2.082
38 H LYS 7 H LYS 7 -7.402 4.446 -2.142
39 HA LYS 7 HA LYS 7 -5.194 3.803 -3.766
40 HB2 LYS 7 HB2 LYS 7 -7.006 5.349 -4.446
41 HB3 LYS 7 HB3 LYS 7 -6.452 6.512 -3.253
42 HG2 LYS 7 HG2 LYS 7 -5.708 7.163 -5.448
43 HG3 LYS 7 HG3 LYS 7 -4.306 6.706 -4.446
44 HD2 LYS 7 HD2 LYS 7 -4.225 4.518 -5.527
45 HD3 LYS 7 HD3 LYS 7 -5.669 4.899 -6.472
46 HE2 LYS 7 HE2 LYS 7 -3.572 5.175 -7.779
47 HE3 LYS 7 HE3 LYS 7 -4.484 6.676 -7.627
48 HZ1 LYS 7 HZ1 LYS 7 -2.991 7.381 -5.876
49 HZ2 LYS 7 HZ2 LYS 7 -2.109 7.003 -7.268
50 HZ3 LYS 7 HZ3 LYS 7 -2.139 5.921 -5.971
51 H TYR 8 H TYR 8 -5.516 5.749 -0.851
52 HA TYR 8 HA TYR 8 -2.896 6.797 -0.812
53 HB2 TYR 8 HB2 TYR 8 -4.847 7.608 0.567
54 HB3 TYR 8 HB3 TYR 8 -4.636 6.182 1.583
55 HD1 TYR 8 HD1 TYR 8 -2.902 6.077 3.222
56 HD2 TYR 8 HD2 TYR 8 -3.103 9.354 0.522
57 HE1 TYR 8 HE1 TYR 8 -1.265 7.296 4.591
58 HE2 TYR 8 HE2 TYR 8 -1.472 10.588 1.883
59 HH TYR 8 HH TYR 8 0.315 9.088 4.407
60 H CYS 9 H CYS 9 -4.308 3.846 0.506
61 HA CYS 9 HA CYS 9 -2.092 3.000 2.016
62 HB2 CYS 9 HB2 CYS 9 -4.449 2.065 2.131
63 HB3 CYS 9 HB3 CYS 9 -4.088 1.161 0.654
64 H TYR 10 H TYR 10 -3.031 2.336 -1.334
65 HA TYR 10 HA TYR 10 -0.777 0.618 -1.800
66 HB2 TYR 10 HB2 TYR 10 -2.911 1.776 -3.598
67 HB3 TYR 10 HB3 TYR 10 -1.552 0.851 -4.239
68 HD1 TYR 10 HD1 TYR 10 -4.796 0.678 -2.676
69 HD2 TYR 10 HD2 TYR 10 -1.235 -1.511 -3.467
70 HE1 TYR 10 HE1 TYR 10 -6.000 -1.420 -2.272
71 HE2 TYR 10 HE2 TYR 10 -2.428 -3.608 -3.066
72 HH TYR 10 HH TYR 10 -5.693 -3.912 -3.026
73 H GLU 11 H GLU 11 -1.375 4.038 -2.168
74 HA GLU 11 HA GLU 11 0.772 4.450 -3.999
75 HB2 GLU 11 HB2 GLU 11 -1.100 6.045 -3.875
76 HB3 GLU 11 HB3 GLU 11 -0.636 6.462 -2.210
77 HG2 GLU 11 HG2 GLU 11 1.528 7.289 -3.054
78 HG3 GLU 11 HG3 GLU 11 0.986 6.942 -4.711
79 H GLN 12 H GLN 12 0.426 4.911 -0.468
80 HA GLN 12 HA GLN 12 3.079 6.006 -0.315
81 HB2 GLN 12 HB2 GLN 12 1.051 5.364 1.831
82 HB3 GLN 12 HB3 GLN 12 2.580 6.178 2.119
83 HG2 GLN 12 HG2 GLN 12 0.708 7.267 0.082
84 HG3 GLN 12 HG3 GLN 12 0.389 7.536 1.789
85 HE21 GLN 12 HE21 GLN 12 3.647 7.273 0.640
86 HE22 GLN 12 HE22 GLN 12 4.052 8.946 0.801
87 H CYS 13 H CYS 13 1.733 2.861 -0.047
88 HA CYS 13 HA CYS 13 3.335 1.720 1.934
89 HB2 CYS 13 HB2 CYS 13 2.814 -0.448 0.861
90 HB3 CYS 13 HB3 CYS 13 1.376 0.575 0.966
91 H ASN 14 H ASN 14 3.903 1.598 -1.603
92 HA ASN 14 HA ASN 14 6.540 0.561 -1.292
93 HB2 ASN 14 HB2 ASN 14 6.797 1.111 -3.721
94 HB3 ASN 14 HB3 ASN 14 5.378 0.143 -3.357
95 HD21 ASN 14 HD21 ASN 14 6.478 3.385 -4.263
96 HD22 ASN 14 HD22 ASN 14 4.930 3.921 -4.834
97 H VAL 15 H VAL 15 5.231 3.780 -1.377
98 HA VAL 15 HA VAL 15 7.611 5.168 -1.963
99 HB VAL 15 HB VAL 15 5.163 6.068 -0.436
100 HG11 VAL 15 HG11 VAL 15 5.998 8.364 -0.777
101 HG12 VAL 15 HG12 VAL 15 7.501 7.708 -1.423
102 HG13 VAL 15 HG13 VAL 15 7.065 7.418 0.261
103 HG21 VAL 15 HG21 VAL 15 6.092 6.616 -3.259
104 HG22 VAL 15 HG22 VAL 15 4.648 7.289 -2.504
105 HG23 VAL 15 HG23 VAL 15 4.764 5.555 -2.794
106 H ASN 16 H ASN 16 6.181 4.043 1.078
107 HA ASN 16 HA ASN 16 8.170 5.244 2.740
108 HB2 ASN 16 HB2 ASN 16 6.458 2.797 3.311
109 HB3 ASN 16 HB3 ASN 16 7.345 3.755 4.501
110 HD21 ASN 16 HD21 ASN 16 6.609 6.272 3.126
111 HD22 ASN 16 HD22 ASN 16 4.959 6.548 3.569
112 H LYS 17 H LYS 17 7.653 1.741 2.468
113 HA LYS 17 HA LYS 17 9.824 1.113 0.915
114 HB2 LYS 17 HB2 LYS 17 11.492 0.223 2.462
115 HB3 LYS 17 HB3 LYS 17 11.261 1.955 2.717
116 HG2 LYS 17 HG2 LYS 17 9.946 -0.148 4.435
117 HG3 LYS 17 HG3 LYS 17 11.546 0.510 4.779
118 HD2 LYS 17 HD2 LYS 17 10.587 2.776 4.904
119 HD3 LYS 17 HD3 LYS 17 8.965 2.111 4.606
120 HE2 LYS 17 HE2 LYS 17 10.769 1.448 6.948
121 HE3 LYS 17 HE3 LYS 17 9.372 2.521 6.999
122 HZ1 LYS 17 HZ1 LYS 17 9.359 -0.398 6.459
123 HZ2 LYS 17 HZ2 LYS 17 8.000 0.593 6.327
124 HZ3 LYS 17 HZ3 LYS 17 8.747 0.386 7.826
125 H VAL 18 H VAL 18 8.037 -0.263 0.187
126 HA VAL 18 HA VAL 18 8.221 -2.846 1.509
127 HB VAL 18 HB VAL 18 5.993 -3.274 1.931
128 HG11 VAL 18 HG11 VAL 18 6.022 -0.288 2.351
129 HG12 VAL 18 HG12 VAL 18 6.700 -1.489 3.447
130 HG13 VAL 18 HG13 VAL 18 4.965 -1.456 3.145
131 HG21 VAL 18 HG21 VAL 18 4.089 -2.132 0.916
132 HG22 VAL 18 HG22 VAL 18 5.187 -2.813 -0.292
133 HG23 VAL 18 HG23 VAL 18 5.197 -1.077 0.033
134 HA PRO 19 HA PRO 19 8.117 -4.189 -2.795
135 HB2 PRO 19 HB2 PRO 19 7.282 -6.763 -1.620
136 HB3 PRO 19 HB3 PRO 19 8.687 -6.401 -2.638
137 HG2 PRO 19 HG2 PRO 19 8.966 -6.942 -0.025
138 HG3 PRO 19 HG3 PRO 19 9.995 -5.758 -0.855
139 HD2 PRO 19 HD2 PRO 19 7.647 -5.275 0.952
140 HD3 PRO 19 HD3 PRO 19 9.190 -4.397 0.823
141 H PHE 20 H PHE 20 6.425 -4.880 -4.309
142 HA PHE 20 HA PHE 20 3.935 -3.798 -3.684
143 HB2 PHE 20 HB2 PHE 20 4.784 -4.171 -6.013
144 HB3 PHE 20 HB3 PHE 20 4.376 -5.875 -5.830
145 HD1 PHE 20 HD1 PHE 20 3.036 -2.485 -6.134
146 HD2 PHE 20 HD2 PHE 20 2.083 -6.621 -5.820
147 HE1 PHE 20 HE1 PHE 20 0.716 -1.996 -6.788
148 HE2 PHE 20 HE2 PHE 20 -0.238 -6.138 -6.482
149 HZ PHE 20 HZ PHE 20 -0.924 -3.825 -6.964
150 H ASP 21 H ASP 21 4.929 -7.209 -3.641
151 HA ASP 21 HA ASP 21 2.400 -8.298 -3.095
152 HB2 ASP 21 HB2 ASP 21 3.596 -10.282 -2.276
153 HB3 ASP 21 HB3 ASP 21 4.273 -9.710 -3.797
154 H GLN 22 H GLN 22 4.850 -6.939 -0.975
155 HA GLN 22 HA GLN 22 3.541 -7.554 1.470
156 HB2 GLN 22 HB2 GLN 22 5.918 -6.958 1.369
157 HB3 GLN 22 HB3 GLN 22 5.493 -5.337 0.822
158 HG2 GLN 22 HG2 GLN 22 6.024 -5.313 3.169
159 HG3 GLN 22 HG3 GLN 22 4.307 -4.952 2.931
160 HE21 GLN 22 HE21 GLN 22 3.787 -5.567 5.024
161 HE22 GLN 22 HE22 GLN 22 3.751 -7.230 5.511
162 H CYS 23 H CYS 23 3.439 -4.817 -0.765
163 HA CYS 23 HA CYS 23 1.792 -3.123 0.775
164 HB2 CYS 23 HB2 CYS 23 2.960 -2.390 -1.330
165 HB3 CYS 23 HB3 CYS 23 1.795 -3.341 -2.255
166 H TYR 24 H TYR 24 0.987 -5.590 -1.636
167 HA TYR 24 HA TYR 24 -1.799 -5.390 -1.417
168 HB2 TYR 24 HB2 TYR 24 -0.557 -6.685 -3.192
169 HB3 TYR 24 HB3 TYR 24 -0.232 -7.929 -1.973
170 HD1 TYR 24 HD1 TYR 24 -2.029 -9.351 -1.143
171 HD2 TYR 24 HD2 TYR 24 -2.769 -6.403 -4.113
172 HE1 TYR 24 HE1 TYR 24 -4.183 -10.414 -1.651
173 HE2 TYR 24 HE2 TYR 24 -4.922 -7.457 -4.631
174 HH TYR 24 HH TYR 24 -6.320 -9.890 -2.643
175 H GLN 25 H GLN 25 0.589 -7.073 0.544
176 HA GLN 25 HA GLN 25 -1.205 -8.800 1.870
177 HB2 GLN 25 HB2 GLN 25 1.270 -9.090 1.785
178 HB3 GLN 25 HB3 GLN 25 1.436 -7.706 2.867
179 HG2 GLN 25 HG2 GLN 25 1.629 -9.843 4.058
180 HG3 GLN 25 HG3 GLN 25 0.248 -8.899 4.621
181 HE21 GLN 25 HE21 GLN 25 -1.829 -9.605 4.165
182 HE22 GLN 25 HE22 GLN 25 -2.160 -11.214 3.614
183 H MET 26 H MET 26 -0.149 -5.510 2.498
184 HA MET 26 HA MET 26 -1.483 -5.435 5.061
185 HB2 MET 26 HB2 MET 26 0.504 -4.182 5.020
186 HB3 MET 26 HB3 MET 26 0.129 -3.482 3.455
187 HG2 MET 26 HG2 MET 26 -1.675 -2.161 4.504
188 HG3 MET 26 HG3 MET 26 -1.215 -2.824 6.073
189 HE1 MET 26 HE1 MET 26 1.579 -1.996 3.378
190 HE2 MET 26 HE2 MET 26 1.698 -0.248 3.571
191 HE3 MET 26 HE3 MET 26 0.222 -0.964 2.926
192 H CYS 27 H CYS 27 -1.976 -4.012 1.833
193 HA CYS 27 HA CYS 27 -4.295 -2.555 2.779
194 HB2 CYS 27 HB2 CYS 27 -3.234 -2.778 -0.057
195 HB3 CYS 27 HB3 CYS 27 -4.401 -1.591 0.554
196 H SER 28 H SER 28 -3.849 -5.711 1.680
197 HA SER 28 HA SER 28 -6.097 -6.070 0.068
198 HB2 SER 28 HB2 SER 28 -5.962 -8.512 0.965
199 HB3 SER 28 HB3 SER 28 -4.660 -7.868 -0.041
200 HG SER 28 HG SER 28 -3.363 -7.765 1.668
201 HA PRO 29 HA PRO 29 -8.630 -7.178 4.180
202 HB2 PRO 29 HB2 PRO 29 -7.201 -5.129 5.827
203 HB3 PRO 29 HB3 PRO 29 -7.999 -6.628 6.344
204 HG2 PRO 29 HG2 PRO 29 -5.362 -6.563 6.191
205 HG3 PRO 29 HG3 PRO 29 -6.250 -7.981 5.569
206 HD2 PRO 29 HD2 PRO 29 -4.992 -5.714 4.048
207 HD3 PRO 29 HD3 PRO 29 -5.051 -7.449 3.651
208 H LEU 30 H LEU 30 -7.274 -4.133 3.190
209 HA LEU 30 HA LEU 30 -9.612 -2.588 3.862
210 HB2 LEU 30 HB2 LEU 30 -7.110 -1.834 3.807
211 HB3 LEU 30 HB3 LEU 30 -7.377 -1.677 2.062
212 HG LEU 30 HG LEU 30 -8.824 -0.148 4.251
213 HD11 LEU 30 HD11 LEU 30 -6.581 0.633 3.993
214 HD12 LEU 30 HD12 LEU 30 -7.653 1.785 3.193
215 HD13 LEU 30 HD13 LEU 30 -6.726 0.628 2.237
216 HD21 LEU 30 HD21 LEU 30 -10.253 -0.622 2.261
217 HD22 LEU 30 HD22 LEU 30 -9.059 0.201 1.258
218 HD23 LEU 30 HD23 LEU 30 -9.923 1.092 2.508
219 H GLU 31 H GLU 31 -7.882 -3.178 0.793
220 HA GLU 31 HA GLU 31 -10.233 -2.348 -0.673
221 HB2 GLU 31 HB2 GLU 31 -7.748 -1.886 -1.288
222 HB3 GLU 31 HB3 GLU 31 -7.768 -3.534 -1.930
223 HG2 GLU 31 HG2 GLU 31 -9.657 -1.345 -2.820
224 HG3 GLU 31 HG3 GLU 31 -8.144 -1.756 -3.637
225 H ARG 32 H ARG 32 -8.182 -5.238 -1.118
226 HA ARG 32 HA ARG 32 -10.449 -6.987 -0.903
227 HB2 ARG 32 HB2 ARG 32 -10.805 -6.172 -3.188
228 HB3 ARG 32 HB3 ARG 32 -9.127 -6.545 -3.599
229 HG2 ARG 32 HG2 ARG 32 -10.606 -8.242 -4.530
230 HG3 ARG 32 HG3 ARG 32 -9.577 -8.947 -3.282
231 HD2 ARG 32 HD2 ARG 32 -12.125 -9.509 -3.371
232 HD3 ARG 32 HD3 ARG 32 -11.331 -9.259 -1.821
233 HE ARG 32 HE ARG 32 -12.705 -7.012 -3.123
234 HH11 ARG 32 HH11 ARG 32 -12.567 -9.349 -0.523
235 HH12 ARG 32 HH12 ARG 32 -13.658 -8.471 0.496
236 HH21 ARG 32 HH21 ARG 32 -14.147 -5.855 -1.794
237 HH22 ARG 32 HH22 ARG 32 -14.564 -6.482 -0.229
238 H SER 33 H SER 33 -9.772 -8.853 -0.110
239 HA SER 33 HA SER 33 -6.920 -9.503 -0.295
240 HB2 SER 33 HB2 SER 33 -7.730 -11.177 1.606
241 HB3 SER 33 HB3 SER 33 -7.425 -9.479 1.982
242 HG SER 33 HG SER 33 -9.701 -10.851 2.218
Start of MODEL 36
1 HA ALA 1 HA ALA 1 -14.404 -1.218 0.004
2 HB1 ALA 1 HB1 ALA 1 -15.490 0.138 -1.700
3 HB2 ALA 1 HB2 ALA 1 -16.878 0.385 -0.641
4 HB3 ALA 1 HB3 ALA 1 -16.511 -1.229 -1.253
5 H SER 2 H SER 2 -13.152 0.639 -0.564
6 HA SER 2 HA SER 2 -13.524 3.165 0.741
7 HB2 SER 2 HB2 SER 2 -12.712 1.596 2.625
8 HB3 SER 2 HB3 SER 2 -11.179 1.524 1.752
9 HG SER 2 HG SER 2 -11.629 4.033 1.867
10 HA PRO 3 HA PRO 3 -11.015 2.456 -3.254
11 HB2 PRO 3 HB2 PRO 3 -12.518 4.972 -3.836
12 HB3 PRO 3 HB3 PRO 3 -12.139 3.607 -4.912
13 HG2 PRO 3 HG2 PRO 3 -14.568 3.848 -3.920
14 HG3 PRO 3 HG3 PRO 3 -13.780 2.256 -3.974
15 HD2 PRO 3 HD2 PRO 3 -14.191 4.069 -1.604
16 HD3 PRO 3 HD3 PRO 3 -14.269 2.284 -1.706
17 H GLN 4 H GLN 4 -11.628 5.630 -1.730
18 HA GLN 4 HA GLN 4 -9.273 6.799 -2.798
19 HB2 GLN 4 HB2 GLN 4 -11.068 7.672 -0.537
20 HB3 GLN 4 HB3 GLN 4 -9.696 8.617 -1.102
21 HG2 GLN 4 HG2 GLN 4 -12.075 7.823 -2.784
22 HG3 GLN 4 HG3 GLN 4 -11.821 9.408 -2.058
23 HE21 GLN 4 HE21 GLN 4 -8.956 9.407 -2.579
24 HE22 GLN 4 HE22 GLN 4 -8.774 9.664 -4.283
25 H GLN 5 H GLN 5 -10.051 5.510 0.402
26 HA GLN 5 HA GLN 5 -7.515 6.111 1.512
27 HB2 GLN 5 HB2 GLN 5 -9.655 4.175 2.371
28 HB3 GLN 5 HB3 GLN 5 -8.164 4.400 3.268
29 HG2 GLN 5 HG2 GLN 5 -8.708 6.761 3.605
30 HG3 GLN 5 HG3 GLN 5 -10.200 6.553 2.694
31 HE21 GLN 5 HE21 GLN 5 -8.987 4.104 4.855
32 HE22 GLN 5 HE22 GLN 5 -10.205 4.292 6.065
33 H ALA 6 H ALA 6 -8.797 3.333 -0.184
34 HA ALA 6 HA ALA 6 -6.592 1.612 0.202
35 HB1 ALA 6 HB1 ALA 6 -8.483 1.761 -2.148
36 HB2 ALA 6 HB2 ALA 6 -8.724 0.805 -0.686
37 HB3 ALA 6 HB3 ALA 6 -7.398 0.423 -1.786
38 H LYS 7 H LYS 7 -7.296 4.105 -2.185
39 HA LYS 7 HA LYS 7 -5.067 3.663 -3.851
40 HB2 LYS 7 HB2 LYS 7 -7.034 5.004 -4.519
41 HB3 LYS 7 HB3 LYS 7 -6.590 6.232 -3.345
42 HG2 LYS 7 HG2 LYS 7 -5.954 6.913 -5.572
43 HG3 LYS 7 HG3 LYS 7 -4.509 6.655 -4.562
44 HD2 LYS 7 HD2 LYS 7 -4.185 4.444 -5.585
45 HD3 LYS 7 HD3 LYS 7 -5.637 4.669 -6.567
46 HE2 LYS 7 HE2 LYS 7 -3.566 5.137 -7.841
47 HE3 LYS 7 HE3 LYS 7 -4.606 6.555 -7.704
48 HZ1 LYS 7 HZ1 LYS 7 -2.292 7.107 -7.313
49 HZ2 LYS 7 HZ2 LYS 7 -2.215 6.005 -6.035
50 HZ3 LYS 7 HZ3 LYS 7 -3.205 7.372 -5.915
51 H TYR 8 H TYR 8 -5.527 5.629 -0.961
52 HA TYR 8 HA TYR 8 -2.996 6.879 -0.961
53 HB2 TYR 8 HB2 TYR 8 -4.855 7.658 0.456
54 HB3 TYR 8 HB3 TYR 8 -4.775 6.159 1.383
55 HD1 TYR 8 HD1 TYR 8 -2.994 9.300 0.623
56 HD2 TYR 8 HD2 TYR 8 -3.177 5.860 3.118
57 HE1 TYR 8 HE1 TYR 8 -1.375 10.333 2.162
58 HE2 TYR 8 HE2 TYR 8 -1.558 6.874 4.657
59 HH TYR 8 HH TYR 8 -0.708 10.146 4.540
60 H CYS 9 H CYS 9 -4.151 3.833 0.405
61 HA CYS 9 HA CYS 9 -1.823 3.178 1.851
62 HB2 CYS 9 HB2 CYS 9 -4.053 2.068 2.135
63 HB3 CYS 9 HB3 CYS 9 -3.790 1.229 0.600
64 H TYR 10 H TYR 10 -2.870 2.183 -1.407
65 HA TYR 10 HA TYR 10 -0.529 0.686 -1.961
66 HB2 TYR 10 HB2 TYR 10 -2.686 1.853 -3.733
67 HB3 TYR 10 HB3 TYR 10 -1.298 0.984 -4.396
68 HD1 TYR 10 HD1 TYR 10 -0.942 -1.400 -3.761
69 HD2 TYR 10 HD2 TYR 10 -4.529 0.673 -2.794
70 HE1 TYR 10 HE1 TYR 10 -2.080 -3.538 -3.418
71 HE2 TYR 10 HE2 TYR 10 -5.675 -1.467 -2.447
72 HH TYR 10 HH TYR 10 -5.499 -3.771 -3.042
73 H GLU 11 H GLU 11 -1.256 4.080 -2.188
74 HA GLU 11 HA GLU 11 0.939 4.675 -3.914
75 HB2 GLU 11 HB2 GLU 11 -1.010 6.179 -3.778
76 HB3 GLU 11 HB3 GLU 11 -0.620 6.527 -2.080
77 HG2 GLU 11 HG2 GLU 11 1.536 7.483 -2.808
78 HG3 GLU 11 HG3 GLU 11 1.053 7.211 -4.499
79 H GLN 12 H GLN 12 0.433 4.936 -0.375
80 HA GLN 12 HA GLN 12 3.054 6.070 -0.042
81 HB2 GLN 12 HB2 GLN 12 0.987 5.220 1.986
82 HB3 GLN 12 HB3 GLN 12 2.470 6.074 2.366
83 HG2 GLN 12 HG2 GLN 12 0.384 7.123 0.493
84 HG3 GLN 12 HG3 GLN 12 0.428 7.483 2.212
85 HE21 GLN 12 HE21 GLN 12 1.915 7.998 -0.858
86 HE22 GLN 12 HE22 GLN 12 2.938 9.312 -0.377
87 H CYS 13 H CYS 13 1.728 2.880 0.036
88 HA CYS 13 HA CYS 13 3.306 1.669 1.986
89 HB2 CYS 13 HB2 CYS 13 2.807 -0.458 0.845
90 HB3 CYS 13 HB3 CYS 13 1.366 0.561 0.920
91 H ASN 14 H ASN 14 3.953 1.593 -1.545
92 HA ASN 14 HA ASN 14 6.603 0.641 -1.137
93 HB2 ASN 14 HB2 ASN 14 6.980 0.908 -3.495
94 HB3 ASN 14 HB3 ASN 14 5.362 0.269 -3.268
95 HD21 ASN 14 HD21 ASN 14 4.124 2.818 -2.609
96 HD22 ASN 14 HD22 ASN 14 4.109 3.748 -4.066
97 H VAL 15 H VAL 15 5.257 3.846 -1.278
98 HA VAL 15 HA VAL 15 7.599 5.306 -1.764
99 HB VAL 15 HB VAL 15 5.101 6.017 -0.229
100 HG11 VAL 15 HG11 VAL 15 7.409 7.849 -0.892
101 HG12 VAL 15 HG12 VAL 15 6.984 7.280 0.721
102 HG13 VAL 15 HG13 VAL 15 5.878 8.329 -0.164
103 HG21 VAL 15 HG21 VAL 15 4.652 7.445 -2.159
104 HG22 VAL 15 HG22 VAL 15 4.898 5.774 -2.670
105 HG23 VAL 15 HG23 VAL 15 6.183 6.962 -2.888
106 H ASN 16 H ASN 16 6.153 4.167 1.275
107 HA ASN 16 HA ASN 16 8.201 5.221 2.937
108 HB2 ASN 16 HB2 ASN 16 6.302 2.895 3.406
109 HB3 ASN 16 HB3 ASN 16 7.327 3.632 4.646
110 HD21 ASN 16 HD21 ASN 16 4.427 3.459 4.638
111 HD22 ASN 16 HD22 ASN 16 3.845 5.088 4.678
112 H LYS 17 H LYS 17 7.575 1.741 2.533
113 HA LYS 17 HA LYS 17 9.739 1.130 0.934
114 HB2 LYS 17 HB2 LYS 17 11.096 1.873 2.906
115 HB3 LYS 17 HB3 LYS 17 10.378 0.545 3.829
116 HG2 LYS 17 HG2 LYS 17 11.358 -1.084 2.312
117 HG3 LYS 17 HG3 LYS 17 12.021 0.215 1.314
118 HD2 LYS 17 HD2 LYS 17 13.402 0.984 3.163
119 HD3 LYS 17 HD3 LYS 17 12.732 -0.269 4.229
120 HE2 LYS 17 HE2 LYS 17 13.647 -1.990 2.702
121 HE3 LYS 17 HE3 LYS 17 14.347 -0.714 1.706
122 HZ1 LYS 17 HZ1 LYS 17 15.996 -1.607 3.186
123 HZ2 LYS 17 HZ2 LYS 17 15.022 -1.306 4.533
124 HZ3 LYS 17 HZ3 LYS 17 15.652 -0.015 3.642
125 H VAL 18 H VAL 18 7.883 -0.205 0.188
126 HA VAL 18 HA VAL 18 8.123 -2.830 1.418
127 HB VAL 18 HB VAL 18 5.899 -3.310 1.826
128 HG11 VAL 18 HG11 VAL 18 4.866 -1.557 3.138
129 HG12 VAL 18 HG12 VAL 18 5.924 -0.350 2.407
130 HG13 VAL 18 HG13 VAL 18 6.605 -1.611 3.436
131 HG21 VAL 18 HG21 VAL 18 5.070 -2.739 -0.359
132 HG22 VAL 18 HG22 VAL 18 5.070 -1.022 0.054
133 HG23 VAL 18 HG23 VAL 18 3.979 -2.131 0.889
134 HA PRO 19 HA PRO 19 7.979 -4.001 -2.932
135 HB2 PRO 19 HB2 PRO 19 7.261 -6.660 -1.880
136 HB3 PRO 19 HB3 PRO 19 8.652 -6.187 -2.873
137 HG2 PRO 19 HG2 PRO 19 8.941 -6.851 -0.285
138 HG3 PRO 19 HG3 PRO 19 9.934 -5.598 -1.055
139 HD2 PRO 19 HD2 PRO 19 7.566 -5.269 0.762
140 HD3 PRO 19 HD3 PRO 19 9.086 -4.346 0.687
141 H PHE 20 H PHE 20 6.311 -4.703 -4.443
142 HA PHE 20 HA PHE 20 3.791 -3.716 -3.878
143 HB2 PHE 20 HB2 PHE 20 4.664 -4.135 -6.177
144 HB3 PHE 20 HB3 PHE 20 4.377 -5.855 -5.938
145 HD1 PHE 20 HD1 PHE 20 2.163 -6.774 -6.014
146 HD2 PHE 20 HD2 PHE 20 2.793 -2.578 -6.352
147 HE1 PHE 20 HE1 PHE 20 -0.158 -6.489 -6.778
148 HE2 PHE 20 HE2 PHE 20 0.471 -2.286 -7.114
149 HZ PHE 20 HZ PHE 20 -1.008 -4.245 -7.326
150 H ASP 21 H ASP 21 4.881 -7.089 -3.694
151 HA ASP 21 HA ASP 21 2.376 -8.239 -3.158
152 HB2 ASP 21 HB2 ASP 21 3.682 -10.139 -2.212
153 HB3 ASP 21 HB3 ASP 21 4.222 -9.645 -3.812
154 H GLN 22 H GLN 22 4.836 -6.903 -0.973
155 HA GLN 22 HA GLN 22 3.456 -7.475 1.426
156 HB2 GLN 22 HB2 GLN 22 5.801 -6.868 1.469
157 HB3 GLN 22 HB3 GLN 22 5.435 -5.288 0.785
158 HG2 GLN 22 HG2 GLN 22 5.826 -5.048 3.128
159 HG3 GLN 22 HG3 GLN 22 4.114 -4.758 2.800
160 HE21 GLN 22 HE21 GLN 22 5.472 -5.519 5.274
161 HE22 GLN 22 HE22 GLN 22 4.714 -6.988 5.796
162 H CYS 23 H CYS 23 3.371 -4.768 -0.829
163 HA CYS 23 HA CYS 23 1.695 -3.071 0.670
164 HB2 CYS 23 HB2 CYS 23 2.920 -2.399 -1.448
165 HB3 CYS 23 HB3 CYS 23 1.700 -3.296 -2.355
166 H TYR 24 H TYR 24 0.939 -5.606 -1.687
167 HA TYR 24 HA TYR 24 -1.849 -5.360 -1.576
168 HB2 TYR 24 HB2 TYR 24 -0.609 -6.737 -3.267
169 HB3 TYR 24 HB3 TYR 24 -0.285 -7.929 -1.995
170 HD1 TYR 24 HD1 TYR 24 -2.886 -6.415 -4.105
171 HD2 TYR 24 HD2 TYR 24 -2.012 -9.405 -1.216
172 HE1 TYR 24 HE1 TYR 24 -5.049 -7.478 -4.566
173 HE2 TYR 24 HE2 TYR 24 -4.173 -10.478 -1.663
174 HH TYR 24 HH TYR 24 -6.377 -9.890 -2.557
175 H GLN 25 H GLN 25 0.416 -6.991 0.568
176 HA GLN 25 HA GLN 25 -1.587 -8.587 1.849
177 HB2 GLN 25 HB2 GLN 25 1.266 -7.925 2.577
178 HB3 GLN 25 HB3 GLN 25 0.236 -8.896 3.620
179 HG2 GLN 25 HG2 GLN 25 0.974 -9.588 0.765
180 HG3 GLN 25 HG3 GLN 25 1.678 -10.295 2.215
181 HE21 GLN 25 HE21 GLN 25 -0.886 -10.342 3.626
182 HE22 GLN 25 HE22 GLN 25 -1.793 -11.635 2.917
183 H MET 26 H MET 26 -0.292 -5.394 2.370
184 HA MET 26 HA MET 26 -1.611 -5.179 4.947
185 HB2 MET 26 HB2 MET 26 0.552 -4.136 4.778
186 HB3 MET 26 HB3 MET 26 0.067 -3.260 3.338
187 HG2 MET 26 HG2 MET 26 -1.570 -1.992 4.702
188 HG3 MET 26 HG3 MET 26 -0.960 -2.816 6.137
189 HE1 MET 26 HE1 MET 26 1.290 -1.626 3.084
190 HE2 MET 26 HE2 MET 26 1.635 0.031 3.575
191 HE3 MET 26 HE3 MET 26 -0.010 -0.437 3.148
192 H CYS 27 H CYS 27 -1.928 -3.817 1.681
193 HA CYS 27 HA CYS 27 -4.085 -2.095 2.525
194 HB2 CYS 27 HB2 CYS 27 -3.068 -2.614 -0.288
195 HB3 CYS 27 HB3 CYS 27 -4.110 -1.279 0.242
196 H SER 28 H SER 28 -3.885 -5.268 1.043
197 HA SER 28 HA SER 28 -6.391 -5.237 -0.212
198 HB2 SER 28 HB2 SER 28 -4.715 -6.999 -0.670
199 HB3 SER 28 HB3 SER 28 -5.058 -7.701 0.919
200 HG SER 28 HG SER 28 -7.034 -7.269 -1.070
201 HA PRO 29 HA PRO 29 -8.236 -7.117 3.979
202 HB2 PRO 29 HB2 PRO 29 -6.376 -5.606 5.762
203 HB3 PRO 29 HB3 PRO 29 -7.182 -7.165 6.037
204 HG2 PRO 29 HG2 PRO 29 -4.615 -7.136 5.400
205 HG3 PRO 29 HG3 PRO 29 -5.704 -8.327 4.641
206 HD2 PRO 29 HD2 PRO 29 -4.579 -5.782 3.498
207 HD3 PRO 29 HD3 PRO 29 -4.821 -7.364 2.719
208 H LEU 30 H LEU 30 -6.879 -3.960 3.436
209 HA LEU 30 HA LEU 30 -8.934 -2.503 4.830
210 HB2 LEU 30 HB2 LEU 30 -6.521 -1.732 4.311
211 HB3 LEU 30 HB3 LEU 30 -7.107 -1.444 2.664
212 HG LEU 30 HG LEU 30 -8.021 -0.026 5.194
213 HD11 LEU 30 HD11 LEU 30 -6.463 0.905 2.780
214 HD12 LEU 30 HD12 LEU 30 -5.827 0.663 4.409
215 HD13 LEU 30 HD13 LEU 30 -7.012 1.934 4.105
216 HD21 LEU 30 HD21 LEU 30 -8.921 0.415 2.337
217 HD22 LEU 30 HD22 LEU 30 -9.368 1.398 3.733
218 HD23 LEU 30 HD23 LEU 30 -9.898 -0.282 3.628
219 H GLU 31 H GLU 31 -8.039 -2.945 1.447
220 HA GLU 31 HA GLU 31 -10.278 -1.593 0.384
221 HB2 GLU 31 HB2 GLU 31 -8.166 -1.841 -0.844
222 HB3 GLU 31 HB3 GLU 31 -8.405 -3.589 -0.914
223 HG2 GLU 31 HG2 GLU 31 -10.421 -3.244 -2.274
224 HG3 GLU 31 HG3 GLU 31 -10.130 -1.501 -2.246
225 H ARG 32 H ARG 32 -9.514 -5.057 0.081
226 HA ARG 32 HA ARG 32 -10.864 -6.891 -0.287
227 HB2 ARG 32 HB2 ARG 32 -12.525 -5.412 1.773
228 HB3 ARG 32 HB3 ARG 32 -12.806 -7.087 1.295
229 HG2 ARG 32 HG2 ARG 32 -10.478 -7.615 2.126
230 HG3 ARG 32 HG3 ARG 32 -10.384 -5.961 2.733
231 HD2 ARG 32 HD2 ARG 32 -12.192 -8.191 3.638
232 HD3 ARG 32 HD3 ARG 32 -11.020 -7.269 4.573
233 HE ARG 32 HE ARG 32 -12.988 -5.517 3.587
234 HH11 ARG 32 HH11 ARG 32 -12.568 -8.059 5.951
235 HH12 ARG 32 HH12 ARG 32 -13.844 -7.487 6.978
236 HH21 ARG 32 HH21 ARG 32 -14.663 -4.756 4.939
237 HH22 ARG 32 HH22 ARG 32 -15.037 -5.614 6.403
238 H SER 33 H SER 33 -11.188 -5.164 -2.321
239 HA SER 33 HA SER 33 -14.105 -5.153 -2.772
240 HB2 SER 33 HB2 SER 33 -12.136 -3.128 -3.884
241 HB3 SER 33 HB3 SER 33 -13.886 -3.117 -4.095
242 HG SER 33 HG SER 33 -13.045 -3.222 -1.467
Start of MODEL 37
1 HA ALA 1 HA ALA 1 -14.707 -0.742 -1.580
2 HB1 ALA 1 HB1 ALA 1 -14.540 -0.139 -3.938
3 HB2 ALA 1 HB2 ALA 1 -16.207 0.438 -3.915
4 HB3 ALA 1 HB3 ALA 1 -15.862 -1.274 -3.666
5 H SER 2 H SER 2 -13.009 0.734 -1.809
6 HA SER 2 HA SER 2 -13.604 3.593 -1.794
7 HB2 SER 2 HB2 SER 2 -13.663 2.784 0.637
8 HB3 SER 2 HB3 SER 2 -11.952 2.396 0.455
9 HG SER 2 HG SER 2 -13.202 4.929 0.314
10 HA PRO 3 HA PRO 3 -9.918 1.966 -4.271
11 HB2 PRO 3 HB2 PRO 3 -10.997 4.178 -5.969
12 HB3 PRO 3 HB3 PRO 3 -10.337 2.598 -6.455
13 HG2 PRO 3 HG2 PRO 3 -12.940 2.961 -6.485
14 HG3 PRO 3 HG3 PRO 3 -12.271 1.462 -5.803
15 HD2 PRO 3 HD2 PRO 3 -13.341 3.875 -4.336
16 HD3 PRO 3 HD3 PRO 3 -13.558 2.132 -3.982
17 H GLN 4 H GLN 4 -10.928 5.230 -3.379
18 HA GLN 4 HA GLN 4 -8.430 6.435 -4.060
19 HB2 GLN 4 HB2 GLN 4 -10.674 7.452 -2.314
20 HB3 GLN 4 HB3 GLN 4 -9.269 8.400 -2.782
21 HG2 GLN 4 HG2 GLN 4 -11.365 7.275 -4.644
22 HG3 GLN 4 HG3 GLN 4 -11.163 8.965 -4.191
23 HE21 GLN 4 HE21 GLN 4 -8.227 8.782 -4.322
24 HE22 GLN 4 HE22 GLN 4 -7.838 8.756 -6.010
25 H GLN 5 H GLN 5 -9.902 5.395 -1.019
26 HA GLN 5 HA GLN 5 -7.706 6.237 0.581
27 HB2 GLN 5 HB2 GLN 5 -9.954 4.311 1.159
28 HB3 GLN 5 HB3 GLN 5 -8.735 4.754 2.341
29 HG2 GLN 5 HG2 GLN 5 -9.438 7.104 2.183
30 HG3 GLN 5 HG3 GLN 5 -10.677 6.649 1.016
31 HE21 GLN 5 HE21 GLN 5 -9.832 4.650 3.752
32 HE22 GLN 5 HE22 GLN 5 -11.309 4.887 4.623
33 H ALA 6 H ALA 6 -8.640 3.174 -0.881
34 HA ALA 6 HA ALA 6 -6.536 1.637 0.203
35 HB1 ALA 6 HB1 ALA 6 -8.497 0.624 -0.880
36 HB2 ALA 6 HB2 ALA 6 -6.983 0.044 -1.577
37 HB3 ALA 6 HB3 ALA 6 -7.943 1.244 -2.436
38 H LYS 7 H LYS 7 -6.773 3.673 -2.673
39 HA LYS 7 HA LYS 7 -4.255 2.972 -3.754
40 HB2 LYS 7 HB2 LYS 7 -6.073 4.156 -5.009
41 HB3 LYS 7 HB3 LYS 7 -5.717 5.600 -4.076
42 HG2 LYS 7 HG2 LYS 7 -4.712 5.645 -6.315
43 HG3 LYS 7 HG3 LYS 7 -3.497 5.732 -5.013
44 HD2 LYS 7 HD2 LYS 7 -2.724 4.203 -6.753
45 HD3 LYS 7 HD3 LYS 7 -3.092 3.292 -5.284
46 HE2 LYS 7 HE2 LYS 7 -3.963 2.073 -7.177
47 HE3 LYS 7 HE3 LYS 7 -5.315 2.737 -6.263
48 HZ1 LYS 7 HZ1 LYS 7 -4.179 3.846 -8.769
49 HZ2 LYS 7 HZ2 LYS 7 -5.426 4.560 -7.878
50 HZ3 LYS 7 HZ3 LYS 7 -5.664 3.054 -8.605
51 H TYR 8 H TYR 8 -5.261 5.249 -1.293
52 HA TYR 8 HA TYR 8 -2.809 6.637 -1.066
53 HB2 TYR 8 HB2 TYR 8 -4.921 7.477 -0.084
54 HB3 TYR 8 HB3 TYR 8 -4.886 6.148 1.080
55 HD1 TYR 8 HD1 TYR 8 -3.079 9.184 -0.017
56 HD2 TYR 8 HD2 TYR 8 -3.613 6.301 3.062
57 HE1 TYR 8 HE1 TYR 8 -1.711 10.554 1.495
58 HE2 TYR 8 HE2 TYR 8 -2.249 7.663 4.582
59 HH TYR 8 HH TYR 8 -0.446 9.398 4.384
60 H CYS 9 H CYS 9 -4.113 3.766 0.526
61 HA CYS 9 HA CYS 9 -2.002 3.289 2.314
62 HB2 CYS 9 HB2 CYS 9 -4.254 2.144 2.305
63 HB3 CYS 9 HB3 CYS 9 -3.694 1.172 0.938
64 H TYR 10 H TYR 10 -2.534 2.161 -1.000
65 HA TYR 10 HA TYR 10 -0.120 0.684 -1.176
66 HB2 TYR 10 HB2 TYR 10 -2.091 1.688 -3.226
67 HB3 TYR 10 HB3 TYR 10 -0.587 0.893 -3.709
68 HD1 TYR 10 HD1 TYR 10 -0.150 -1.428 -2.992
69 HD2 TYR 10 HD2 TYR 10 -3.939 0.404 -2.397
70 HE1 TYR 10 HE1 TYR 10 -1.158 -3.628 -2.665
71 HE2 TYR 10 HE2 TYR 10 -4.959 -1.799 -2.071
72 HH TYR 10 HH TYR 10 -4.508 -4.152 -2.660
73 H GLU 11 H GLU 11 -0.967 4.020 -1.911
74 HA GLU 11 HA GLU 11 1.342 4.781 -3.301
75 HB2 GLU 11 HB2 GLU 11 -0.760 6.157 -3.024
76 HB3 GLU 11 HB3 GLU 11 -0.216 6.503 -1.369
77 HG2 GLU 11 HG2 GLU 11 0.343 8.357 -2.762
78 HG3 GLU 11 HG3 GLU 11 1.838 7.511 -2.300
79 H GLN 12 H GLN 12 0.587 5.004 0.175
80 HA GLN 12 HA GLN 12 3.057 6.087 0.936
81 HB2 GLN 12 HB2 GLN 12 1.019 4.498 2.494
82 HB3 GLN 12 HB3 GLN 12 2.441 5.209 3.234
83 HG2 GLN 12 HG2 GLN 12 0.624 6.917 1.620
84 HG3 GLN 12 HG3 GLN 12 0.163 6.452 3.250
85 HE21 GLN 12 HE21 GLN 12 3.494 6.917 2.352
86 HE22 GLN 12 HE22 GLN 12 3.733 8.375 3.252
87 H CYS 13 H CYS 13 2.113 2.833 0.202
88 HA CYS 13 HA CYS 13 4.196 1.484 1.497
89 HB2 CYS 13 HB2 CYS 13 2.559 0.802 -0.942
90 HB3 CYS 13 HB3 CYS 13 3.867 -0.245 -0.387
91 H ASN 14 H ASN 14 4.059 2.733 -1.866
92 HA ASN 14 HA ASN 14 6.797 1.998 -2.307
93 HB2 ASN 14 HB2 ASN 14 6.535 3.311 -4.449
94 HB3 ASN 14 HB3 ASN 14 5.391 1.996 -4.231
95 HD21 ASN 14 HD21 ASN 14 5.741 5.522 -4.181
96 HD22 ASN 14 HD22 ASN 14 4.042 5.848 -4.349
97 H VAL 15 H VAL 15 5.139 4.812 -1.152
98 HA VAL 15 HA VAL 15 7.243 6.663 -1.430
99 HB VAL 15 HB VAL 15 5.013 6.561 0.607
100 HG11 VAL 15 HG11 VAL 15 5.524 8.920 1.062
101 HG12 VAL 15 HG12 VAL 15 6.923 8.821 -0.005
102 HG13 VAL 15 HG13 VAL 15 6.882 7.874 1.482
103 HG21 VAL 15 HG21 VAL 15 5.356 8.192 -1.911
104 HG22 VAL 15 HG22 VAL 15 4.014 8.325 -0.779
105 HG23 VAL 15 HG23 VAL 15 4.246 6.840 -1.697
106 H ASN 16 H ASN 16 6.402 4.398 1.197
107 HA ASN 16 HA ASN 16 8.625 5.412 2.774
108 HB2 ASN 16 HB2 ASN 16 6.706 3.140 3.373
109 HB3 ASN 16 HB3 ASN 16 7.867 3.844 4.503
110 HD21 ASN 16 HD21 ASN 16 7.370 6.563 3.512
111 HD22 ASN 16 HD22 ASN 16 5.835 7.018 4.178
112 H LYS 17 H LYS 17 7.729 2.000 2.294
113 HA LYS 17 HA LYS 17 9.803 1.224 0.650
114 HB2 LYS 17 HB2 LYS 17 11.124 -0.055 2.570
115 HB3 LYS 17 HB3 LYS 17 11.578 1.575 2.059
116 HG2 LYS 17 HG2 LYS 17 11.637 1.523 4.438
117 HG3 LYS 17 HG3 LYS 17 10.226 2.470 3.969
118 HD2 LYS 17 HD2 LYS 17 8.807 0.428 4.349
119 HD3 LYS 17 HD3 LYS 17 10.265 -0.401 4.932
120 HE2 LYS 17 HE2 LYS 17 9.138 2.130 6.137
121 HE3 LYS 17 HE3 LYS 17 8.844 0.506 6.758
122 HZ1 LYS 17 HZ1 LYS 17 10.620 1.604 7.958
123 HZ2 LYS 17 HZ2 LYS 17 11.501 1.815 6.532
124 HZ3 LYS 17 HZ3 LYS 17 11.217 0.259 7.127
125 H VAL 18 H VAL 18 7.820 0.042 0.009
126 HA VAL 18 HA VAL 18 8.033 -2.641 0.965
127 HB VAL 18 HB VAL 18 6.572 -2.374 2.692
128 HG11 VAL 18 HG11 VAL 18 4.738 -0.744 2.768
129 HG12 VAL 18 HG12 VAL 18 5.155 -0.226 1.136
130 HG13 VAL 18 HG13 VAL 18 6.300 0.016 2.455
131 HG21 VAL 18 HG21 VAL 18 4.669 -2.648 0.366
132 HG22 VAL 18 HG22 VAL 18 4.272 -3.000 2.049
133 HG23 VAL 18 HG23 VAL 18 5.494 -3.954 1.210
134 HA PRO 19 HA PRO 19 7.082 -3.161 -3.359
135 HB2 PRO 19 HB2 PRO 19 6.727 -5.977 -2.497
136 HB3 PRO 19 HB3 PRO 19 7.785 -5.310 -3.754
137 HG2 PRO 19 HG2 PRO 19 8.795 -6.175 -1.442
138 HG3 PRO 19 HG3 PRO 19 9.443 -4.738 -2.256
139 HD2 PRO 19 HD2 PRO 19 7.629 -4.900 0.128
140 HD3 PRO 19 HD3 PRO 19 8.976 -3.786 -0.213
141 H PHE 20 H PHE 20 5.259 -3.718 -4.658
142 HA PHE 20 HA PHE 20 2.785 -3.114 -3.562
143 HB2 PHE 20 HB2 PHE 20 3.378 -2.970 -5.994
144 HB3 PHE 20 HB3 PHE 20 3.198 -4.717 -6.091
145 HD1 PHE 20 HD1 PHE 20 1.011 -5.754 -5.958
146 HD2 PHE 20 HD2 PHE 20 1.466 -1.532 -5.732
147 HE1 PHE 20 HE1 PHE 20 -1.399 -5.478 -6.368
148 HE2 PHE 20 HE2 PHE 20 -0.944 -1.246 -6.141
149 HZ PHE 20 HZ PHE 20 -2.379 -3.223 -6.458
150 H ASP 21 H ASP 21 4.152 -6.315 -4.267
151 HA ASP 21 HA ASP 21 1.830 -7.808 -3.747
152 HB2 ASP 21 HB2 ASP 21 3.393 -9.731 -3.413
153 HB3 ASP 21 HB3 ASP 21 3.666 -8.841 -4.909
154 H GLN 22 H GLN 22 4.493 -6.898 -1.579
155 HA GLN 22 HA GLN 22 3.325 -8.165 0.702
156 HB2 GLN 22 HB2 GLN 22 5.756 -7.719 0.435
157 HB3 GLN 22 HB3 GLN 22 5.434 -6.000 0.595
158 HG2 GLN 22 HG2 GLN 22 6.205 -6.815 2.689
159 HG3 GLN 22 HG3 GLN 22 4.478 -6.456 2.845
160 HE21 GLN 22 HE21 GLN 22 4.332 -7.838 4.632
161 HE22 GLN 22 HE22 GLN 22 4.316 -9.561 4.445
162 H CYS 23 H CYS 23 3.090 -5.002 -0.781
163 HA CYS 23 HA CYS 23 1.748 -3.711 1.371
164 HB2 CYS 23 HB2 CYS 23 2.745 -2.531 -0.644
165 HB3 CYS 23 HB3 CYS 23 1.363 -3.111 -1.572
166 H TYR 24 H TYR 24 0.656 -5.606 -1.392
167 HA TYR 24 HA TYR 24 -2.095 -5.413 -1.088
168 HB2 TYR 24 HB2 TYR 24 -0.878 -6.622 -2.952
169 HB3 TYR 24 HB3 TYR 24 -0.590 -7.949 -1.820
170 HD1 TYR 24 HD1 TYR 24 -3.066 -6.218 -3.866
171 HD2 TYR 24 HD2 TYR 24 -2.426 -9.384 -1.106
172 HE1 TYR 24 HE1 TYR 24 -5.232 -7.193 -4.491
173 HE2 TYR 24 HE2 TYR 24 -4.588 -10.366 -1.717
174 HH TYR 24 HH TYR 24 -6.703 -9.712 -2.702
175 H GLN 25 H GLN 25 0.258 -7.250 0.744
176 HA GLN 25 HA GLN 25 -1.568 -8.971 2.031
177 HB2 GLN 25 HB2 GLN 25 0.809 -9.497 1.971
178 HB3 GLN 25 HB3 GLN 25 1.200 -8.009 2.823
179 HG2 GLN 25 HG2 GLN 25 0.197 -8.821 4.844
180 HG3 GLN 25 HG3 GLN 25 -0.433 -10.241 4.014
181 HE21 GLN 25 HE21 GLN 25 1.933 -10.735 2.467
182 HE22 GLN 25 HE22 GLN 25 3.129 -11.346 3.561
183 H MET 26 H MET 26 -0.447 -5.717 2.711
184 HA MET 26 HA MET 26 -1.728 -5.706 5.315
185 HB2 MET 26 HB2 MET 26 0.396 -4.633 5.273
186 HB3 MET 26 HB3 MET 26 -0.023 -3.719 3.834
187 HG2 MET 26 HG2 MET 26 -1.708 -2.472 5.162
188 HG3 MET 26 HG3 MET 26 -1.156 -3.333 6.597
189 HE1 MET 26 HE1 MET 26 1.317 -2.152 3.716
190 HE2 MET 26 HE2 MET 26 1.585 -0.481 4.200
191 HE3 MET 26 HE3 MET 26 -0.010 -0.992 3.652
192 H CYS 27 H CYS 27 -2.085 -4.011 2.193
193 HA CYS 27 HA CYS 27 -4.204 -2.369 3.283
194 HB2 CYS 27 HB2 CYS 27 -3.185 -2.519 0.428
195 HB3 CYS 27 HB3 CYS 27 -4.234 -1.263 1.113
196 H SER 28 H SER 28 -4.142 -5.430 1.738
197 HA SER 28 HA SER 28 -6.439 -5.277 0.178
198 HB2 SER 28 HB2 SER 28 -6.601 -7.780 0.494
199 HB3 SER 28 HB3 SER 28 -5.061 -7.176 -0.131
200 HG SER 28 HG SER 28 -4.094 -7.831 1.615
201 HA PRO 29 HA PRO 29 -8.927 -6.883 4.210
202 HB2 PRO 29 HB2 PRO 29 -7.554 -4.882 5.955
203 HB3 PRO 29 HB3 PRO 29 -8.322 -6.421 6.400
204 HG2 PRO 29 HG2 PRO 29 -5.688 -6.302 6.209
205 HG3 PRO 29 HG3 PRO 29 -6.563 -7.700 5.530
206 HD2 PRO 29 HD2 PRO 29 -5.330 -5.359 4.112
207 HD3 PRO 29 HD3 PRO 29 -5.435 -7.062 3.609
208 H LEU 30 H LEU 30 -7.800 -3.501 4.064
209 HA LEU 30 HA LEU 30 -10.381 -2.434 4.647
210 HB2 LEU 30 HB2 LEU 30 -9.431 -0.305 4.476
211 HB3 LEU 30 HB3 LEU 30 -8.087 -1.312 5.029
212 HG LEU 30 HG LEU 30 -7.667 -1.461 2.376
213 HD11 LEU 30 HD11 LEU 30 -8.097 0.652 1.289
214 HD12 LEU 30 HD12 LEU 30 -8.842 1.295 2.750
215 HD13 LEU 30 HD13 LEU 30 -9.619 -0.027 1.874
216 HD21 LEU 30 HD21 LEU 30 -6.023 0.341 2.635
217 HD22 LEU 30 HD22 LEU 30 -6.006 -0.758 4.013
218 HD23 LEU 30 HD23 LEU 30 -6.788 0.820 4.152
219 H GLU 31 H GLU 31 -8.712 -3.344 1.777
220 HA GLU 31 HA GLU 31 -10.414 -1.873 -0.022
221 HB2 GLU 31 HB2 GLU 31 -7.939 -2.510 -0.400
222 HB3 GLU 31 HB3 GLU 31 -8.546 -4.131 -0.758
223 HG2 GLU 31 HG2 GLU 31 -9.517 -1.705 -2.257
224 HG3 GLU 31 HG3 GLU 31 -8.061 -2.590 -2.728
225 H ARG 32 H ARG 32 -9.735 -5.350 0.240
226 HA ARG 32 HA ARG 32 -12.542 -6.012 0.403
227 HB2 ARG 32 HB2 ARG 32 -10.877 -6.819 -2.003
228 HB3 ARG 32 HB3 ARG 32 -12.351 -7.666 -1.533
229 HG2 ARG 32 HG2 ARG 32 -12.196 -4.743 -2.323
230 HG3 ARG 32 HG3 ARG 32 -12.689 -6.053 -3.396
231 HD2 ARG 32 HD2 ARG 32 -14.133 -4.868 -1.051
232 HD3 ARG 32 HD3 ARG 32 -14.709 -5.190 -2.679
233 HE ARG 32 HE ARG 32 -14.309 -7.663 -1.859
234 HH11 ARG 32 HH11 ARG 32 -15.760 -4.984 -0.148
235 HH12 ARG 32 HH12 ARG 32 -16.815 -5.988 0.787
236 HH21 ARG 32 HH21 ARG 32 -15.675 -8.994 -0.611
237 HH22 ARG 32 HH22 ARG 32 -16.765 -8.277 0.531
238 H SER 33 H SER 33 -12.571 -7.455 1.985
239 HA SER 33 HA SER 33 -11.075 -9.887 1.798
240 HB2 SER 33 HB2 SER 33 -9.371 -8.266 2.779
241 HB3 SER 33 HB3 SER 33 -10.426 -8.135 4.186
242 HG SER 33 HG SER 33 -8.608 -9.993 3.667
Start of MODEL 38
1 HA ALA 1 HA ALA 1 -15.781 -0.457 -0.286
2 HB1 ALA 1 HB1 ALA 1 -15.682 0.910 -2.298
3 HB2 ALA 1 HB2 ALA 1 -16.892 2.005 -1.634
4 HB3 ALA 1 HB3 ALA 1 -17.326 0.342 -2.020
5 H SER 2 H SER 2 -13.685 0.587 -0.836
6 HA SER 2 HA SER 2 -13.100 2.956 0.798
7 HB2 SER 2 HB2 SER 2 -11.657 0.293 1.074
8 HB3 SER 2 HB3 SER 2 -11.117 1.797 1.810
9 HG SER 2 HG SER 2 -12.539 1.544 3.325
10 HA PRO 3 HA PRO 3 -11.013 2.530 -3.454
11 HB2 PRO 3 HB2 PRO 3 -12.139 5.226 -3.889
12 HB3 PRO 3 HB3 PRO 3 -12.178 3.797 -4.944
13 HG2 PRO 3 HG2 PRO 3 -14.371 4.659 -3.664
14 HG3 PRO 3 HG3 PRO 3 -14.053 2.933 -3.931
15 HD2 PRO 3 HD2 PRO 3 -13.709 4.535 -1.400
16 HD3 PRO 3 HD3 PRO 3 -14.296 2.860 -1.622
17 H GLN 4 H GLN 4 -11.349 5.682 -1.774
18 HA GLN 4 HA GLN 4 -8.885 6.648 -2.735
19 HB2 GLN 4 HB2 GLN 4 -10.749 8.097 -2.003
20 HB3 GLN 4 HB3 GLN 4 -10.460 7.598 -0.340
21 HG2 GLN 4 HG2 GLN 4 -9.452 9.762 -0.723
22 HG3 GLN 4 HG3 GLN 4 -8.193 8.554 -0.475
23 HE21 GLN 4 HE21 GLN 4 -9.977 8.816 -3.472
24 HE22 GLN 4 HE22 GLN 4 -8.654 9.405 -4.426
25 H GLN 5 H GLN 5 -9.803 5.185 0.352
26 HA GLN 5 HA GLN 5 -7.309 5.610 1.603
27 HB2 GLN 5 HB2 GLN 5 -9.500 3.632 2.172
28 HB3 GLN 5 HB3 GLN 5 -8.030 3.711 3.129
29 HG2 GLN 5 HG2 GLN 5 -10.015 5.953 2.761
30 HG3 GLN 5 HG3 GLN 5 -9.853 4.939 4.192
31 HE21 GLN 5 HE21 GLN 5 -6.906 4.922 4.001
32 HE22 GLN 5 HE22 GLN 5 -6.400 6.488 4.537
33 H ALA 6 H ALA 6 -8.568 3.007 -0.382
34 HA ALA 6 HA ALA 6 -6.391 1.237 -0.104
35 HB1 ALA 6 HB1 ALA 6 -7.162 0.187 -2.144
36 HB2 ALA 6 HB2 ALA 6 -8.145 1.596 -2.534
37 HB3 ALA 6 HB3 ALA 6 -8.549 0.604 -1.135
38 H LYS 7 H LYS 7 -7.018 3.915 -2.308
39 HA LYS 7 HA LYS 7 -4.707 3.587 -3.898
40 HB2 LYS 7 HB2 LYS 7 -6.647 4.956 -4.595
41 HB3 LYS 7 HB3 LYS 7 -6.277 6.115 -3.330
42 HG2 LYS 7 HG2 LYS 7 -5.521 6.899 -5.504
43 HG3 LYS 7 HG3 LYS 7 -4.156 6.651 -4.385
44 HD2 LYS 7 HD2 LYS 7 -3.602 5.782 -6.618
45 HD3 LYS 7 HD3 LYS 7 -3.698 4.467 -5.444
46 HE2 LYS 7 HE2 LYS 7 -6.013 3.990 -6.233
47 HE3 LYS 7 HE3 LYS 7 -5.810 5.245 -7.457
48 HZ1 LYS 7 HZ1 LYS 7 -4.145 2.804 -7.209
49 HZ2 LYS 7 HZ2 LYS 7 -3.990 3.991 -8.402
50 HZ3 LYS 7 HZ3 LYS 7 -5.380 3.034 -8.340
51 H TYR 8 H TYR 8 -5.368 5.519 -1.009
52 HA TYR 8 HA TYR 8 -2.859 6.763 -0.798
53 HB2 TYR 8 HB2 TYR 8 -4.875 7.422 0.509
54 HB3 TYR 8 HB3 TYR 8 -4.712 5.937 1.447
55 HD1 TYR 8 HD1 TYR 8 -3.068 9.153 0.664
56 HD2 TYR 8 HD2 TYR 8 -3.231 5.804 3.282
57 HE1 TYR 8 HE1 TYR 8 -1.582 10.317 2.239
58 HE2 TYR 8 HE2 TYR 8 -1.742 6.956 4.860
59 HH TYR 8 HH TYR 8 -1.027 10.275 4.609
60 H CYS 9 H CYS 9 -4.056 3.667 0.375
61 HA CYS 9 HA CYS 9 -1.824 2.973 1.950
62 HB2 CYS 9 HB2 CYS 9 -4.062 1.849 2.042
63 HB3 CYS 9 HB3 CYS 9 -3.697 1.074 0.495
64 H TYR 10 H TYR 10 -2.652 2.117 -1.413
65 HA TYR 10 HA TYR 10 -0.221 0.701 -1.851
66 HB2 TYR 10 HB2 TYR 10 -2.364 1.749 -3.706
67 HB3 TYR 10 HB3 TYR 10 -0.894 0.986 -4.319
68 HD1 TYR 10 HD1 TYR 10 -0.367 -1.365 -3.572
69 HD2 TYR 10 HD2 TYR 10 -4.181 0.424 -2.975
70 HE1 TYR 10 HE1 TYR 10 -1.359 -3.584 -3.293
71 HE2 TYR 10 HE2 TYR 10 -5.182 -1.797 -2.696
72 HH TYR 10 HH TYR 10 -4.709 -4.134 -3.325
73 H GLU 11 H GLU 11 -1.172 4.056 -2.257
74 HA GLU 11 HA GLU 11 1.044 4.808 -3.832
75 HB2 GLU 11 HB2 GLU 11 -0.980 6.220 -3.610
76 HB3 GLU 11 HB3 GLU 11 -0.568 6.525 -1.909
77 HG2 GLU 11 HG2 GLU 11 1.506 7.625 -2.627
78 HG3 GLU 11 HG3 GLU 11 1.049 7.346 -4.323
79 H GLN 12 H GLN 12 0.508 4.930 -0.287
80 HA GLN 12 HA GLN 12 3.105 6.101 0.079
81 HB2 GLN 12 HB2 GLN 12 1.062 5.167 2.102
82 HB3 GLN 12 HB3 GLN 12 2.527 6.051 2.490
83 HG2 GLN 12 HG2 GLN 12 0.606 7.180 0.522
84 HG3 GLN 12 HG3 GLN 12 0.262 7.288 2.242
85 HE21 GLN 12 HE21 GLN 12 3.523 7.366 1.030
86 HE22 GLN 12 HE22 GLN 12 3.812 9.036 1.371
87 H CYS 13 H CYS 13 1.780 2.879 0.209
88 HA CYS 13 HA CYS 13 3.573 1.670 1.979
89 HB2 CYS 13 HB2 CYS 13 2.973 -0.450 0.929
90 HB3 CYS 13 HB3 CYS 13 1.526 0.562 1.013
91 H ASN 14 H ASN 14 3.822 2.026 -1.543
92 HA ASN 14 HA ASN 14 6.463 0.903 -1.615
93 HB2 ASN 14 HB2 ASN 14 4.743 0.873 -3.524
94 HB3 ASN 14 HB3 ASN 14 5.210 2.545 -3.826
95 HD21 ASN 14 HD21 ASN 14 7.384 -0.038 -2.785
96 HD22 ASN 14 HD22 ASN 14 8.318 -0.053 -4.245
97 H VAL 15 H VAL 15 5.167 4.118 -1.254
98 HA VAL 15 HA VAL 15 7.529 5.530 -1.952
99 HB VAL 15 HB VAL 15 5.146 6.353 -0.286
100 HG11 VAL 15 HG11 VAL 15 7.467 8.066 -1.183
101 HG12 VAL 15 HG12 VAL 15 7.103 7.602 0.479
102 HG13 VAL 15 HG13 VAL 15 5.996 8.652 -0.407
103 HG21 VAL 15 HG21 VAL 15 4.610 7.745 -2.233
104 HG22 VAL 15 HG22 VAL 15 4.708 6.041 -2.674
105 HG23 VAL 15 HG23 VAL 15 6.038 7.132 -3.066
106 H ASN 16 H ASN 16 6.243 4.267 1.105
107 HA ASN 16 HA ASN 16 8.316 5.414 2.709
108 HB2 ASN 16 HB2 ASN 16 6.569 2.993 3.292
109 HB3 ASN 16 HB3 ASN 16 7.548 3.874 4.469
110 HD21 ASN 16 HD21 ASN 16 6.879 6.479 3.325
111 HD22 ASN 16 HD22 ASN 16 5.245 6.793 3.811
112 H LYS 17 H LYS 17 7.732 1.933 2.365
113 HA LYS 17 HA LYS 17 9.868 1.272 0.759
114 HB2 LYS 17 HB2 LYS 17 11.222 2.150 2.695
115 HB3 LYS 17 HB3 LYS 17 10.569 0.822 3.663
116 HG2 LYS 17 HG2 LYS 17 11.579 -0.795 2.106
117 HG3 LYS 17 HG3 LYS 17 12.260 0.546 1.175
118 HD2 LYS 17 HD2 LYS 17 13.561 1.284 3.073
119 HD3 LYS 17 HD3 LYS 17 12.833 0.043 4.115
120 HE2 LYS 17 HE2 LYS 17 13.811 -1.682 2.591
121 HE3 LYS 17 HE3 LYS 17 14.632 -0.389 1.719
122 HZ1 LYS 17 HZ1 LYS 17 15.760 0.207 3.792
123 HZ2 LYS 17 HZ2 LYS 17 16.105 -1.381 3.327
124 HZ3 LYS 17 HZ3 LYS 17 15.010 -1.088 4.582
125 H VAL 18 H VAL 18 7.954 -0.070 0.154
126 HA VAL 18 HA VAL 18 8.279 -2.669 1.386
127 HB VAL 18 HB VAL 18 6.203 -3.083 2.222
128 HG11 VAL 18 HG11 VAL 18 6.884 -1.084 3.444
129 HG12 VAL 18 HG12 VAL 18 5.129 -1.221 3.333
130 HG13 VAL 18 HG13 VAL 18 5.992 -0.076 2.305
131 HG21 VAL 18 HG21 VAL 18 4.973 -1.200 0.222
132 HG22 VAL 18 HG22 VAL 18 4.094 -2.265 1.323
133 HG23 VAL 18 HG23 VAL 18 5.121 -2.950 0.061
134 HA PRO 19 HA PRO 19 7.763 -3.834 -2.913
135 HB2 PRO 19 HB2 PRO 19 6.964 -6.471 -1.879
136 HB3 PRO 19 HB3 PRO 19 8.345 -6.043 -2.903
137 HG2 PRO 19 HG2 PRO 19 8.659 -6.771 -0.331
138 HG3 PRO 19 HG3 PRO 19 9.707 -5.573 -1.115
139 HD2 PRO 19 HD2 PRO 19 7.431 -5.129 0.788
140 HD3 PRO 19 HD3 PRO 19 8.994 -4.288 0.655
141 H PHE 20 H PHE 20 6.036 -4.358 -4.375
142 HA PHE 20 HA PHE 20 3.523 -3.400 -3.657
143 HB2 PHE 20 HB2 PHE 20 4.290 -3.538 -5.997
144 HB3 PHE 20 HB3 PHE 20 4.163 -5.292 -5.936
145 HD1 PHE 20 HD1 PHE 20 2.022 -6.394 -6.036
146 HD2 PHE 20 HD2 PHE 20 2.294 -2.146 -6.020
147 HE1 PHE 20 HE1 PHE 20 -0.332 -6.245 -6.730
148 HE2 PHE 20 HE2 PHE 20 -0.062 -1.994 -6.711
149 HZ PHE 20 HZ PHE 20 -1.377 -4.042 -7.064
150 H ASP 21 H ASP 21 4.660 -6.760 -3.769
151 HA ASP 21 HA ASP 21 2.179 -7.987 -3.295
152 HB2 ASP 21 HB2 ASP 21 3.511 -9.916 -2.464
153 HB3 ASP 21 HB3 ASP 21 4.064 -9.315 -4.026
154 H GLN 22 H GLN 22 4.600 -6.690 -1.064
155 HA GLN 22 HA GLN 22 3.151 -7.448 1.271
156 HB2 GLN 22 HB2 GLN 22 5.595 -7.019 1.290
157 HB3 GLN 22 HB3 GLN 22 5.280 -5.317 0.971
158 HG2 GLN 22 HG2 GLN 22 4.117 -5.104 3.083
159 HG3 GLN 22 HG3 GLN 22 4.331 -6.829 3.393
160 HE21 GLN 22 HE21 GLN 22 6.338 -7.618 3.947
161 HE22 GLN 22 HE22 GLN 22 7.615 -6.586 4.495
162 H CYS 23 H CYS 23 3.163 -4.606 -0.840
163 HA CYS 23 HA CYS 23 1.465 -2.984 0.693
164 HB2 CYS 23 HB2 CYS 23 1.462 -3.326 -2.326
165 HB3 CYS 23 HB3 CYS 23 0.630 -2.048 -1.456
166 H TYR 24 H TYR 24 0.715 -5.548 -1.629
167 HA TYR 24 HA TYR 24 -2.060 -5.423 -1.481
168 HB2 TYR 24 HB2 TYR 24 -0.688 -6.764 -3.145
169 HB3 TYR 24 HB3 TYR 24 -0.461 -7.969 -1.868
170 HD1 TYR 24 HD1 TYR 24 -2.284 -9.395 -1.174
171 HD2 TYR 24 HD2 TYR 24 -2.860 -6.432 -4.162
172 HE1 TYR 24 HE1 TYR 24 -4.411 -10.447 -1.792
173 HE2 TYR 24 HE2 TYR 24 -4.991 -7.473 -4.794
174 HH TYR 24 HH TYR 24 -6.067 -9.696 -4.642
175 H GLN 25 H GLN 25 0.246 -7.180 0.567
176 HA GLN 25 HA GLN 25 -1.708 -8.753 1.873
177 HB2 GLN 25 HB2 GLN 25 -0.014 -9.484 3.355
178 HB3 GLN 25 HB3 GLN 25 0.839 -9.142 1.856
179 HG2 GLN 25 HG2 GLN 25 1.654 -7.045 2.746
180 HG3 GLN 25 HG3 GLN 25 0.681 -7.252 4.198
181 HE21 GLN 25 HE21 GLN 25 2.341 -9.921 2.693
182 HE22 GLN 25 HE22 GLN 25 3.529 -10.127 3.939
183 H MET 26 H MET 26 -0.556 -5.512 2.440
184 HA MET 26 HA MET 26 -1.926 -5.350 4.996
185 HB2 MET 26 HB2 MET 26 0.172 -4.227 4.944
186 HB3 MET 26 HB3 MET 26 -0.211 -3.443 3.421
187 HG2 MET 26 HG2 MET 26 -1.901 -2.069 4.546
188 HG3 MET 26 HG3 MET 26 -1.514 -2.854 6.076
189 HE1 MET 26 HE1 MET 26 1.524 -0.218 3.785
190 HE2 MET 26 HE2 MET 26 -0.058 -0.665 3.143
191 HE3 MET 26 HE3 MET 26 1.197 -1.890 3.337
192 H CYS 27 H CYS 27 -2.192 -3.944 1.744
193 HA CYS 27 HA CYS 27 -4.378 -2.250 2.538
194 HB2 CYS 27 HB2 CYS 27 -3.429 -2.817 -0.286
195 HB3 CYS 27 HB3 CYS 27 -4.348 -1.414 0.292
196 H SER 28 H SER 28 -4.195 -5.502 1.345
197 HA SER 28 HA SER 28 -6.610 -5.496 -0.089
198 HB2 SER 28 HB2 SER 28 -6.575 -8.006 0.202
199 HB3 SER 28 HB3 SER 28 -5.155 -7.290 -0.567
200 HG SER 28 HG SER 28 -3.968 -7.715 1.178
201 HA PRO 29 HA PRO 29 -8.859 -7.049 3.970
202 HB2 PRO 29 HB2 PRO 29 -7.120 -5.769 6.011
203 HB3 PRO 29 HB3 PRO 29 -7.970 -7.325 6.073
204 HG2 PRO 29 HG2 PRO 29 -5.339 -7.279 5.730
205 HG3 PRO 29 HG3 PRO 29 -6.348 -8.417 4.798
206 HD2 PRO 29 HD2 PRO 29 -5.144 -5.798 3.916
207 HD3 PRO 29 HD3 PRO 29 -5.224 -7.354 3.050
208 H LEU 30 H LEU 30 -7.298 -4.099 3.322
209 HA LEU 30 HA LEU 30 -9.119 -2.392 4.773
210 HB2 LEU 30 HB2 LEU 30 -6.648 -1.920 4.197
211 HB3 LEU 30 HB3 LEU 30 -7.218 -1.613 2.549
212 HG LEU 30 HG LEU 30 -7.900 -0.019 5.043
213 HD11 LEU 30 HD11 LEU 30 -6.328 0.637 2.552
214 HD12 LEU 30 HD12 LEU 30 -5.664 0.376 4.168
215 HD13 LEU 30 HD13 LEU 30 -6.703 1.768 3.853
216 HD21 LEU 30 HD21 LEU 30 -8.822 0.426 2.196
217 HD22 LEU 30 HD22 LEU 30 -9.113 1.500 3.565
218 HD23 LEU 30 HD23 LEU 30 -9.839 -0.108 3.534
219 H GLU 31 H GLU 31 -8.320 -2.939 1.377
220 HA GLU 31 HA GLU 31 -10.465 -1.438 0.338
221 HB2 GLU 31 HB2 GLU 31 -8.369 -1.990 -0.903
222 HB3 GLU 31 HB3 GLU 31 -8.921 -3.665 -1.019
223 HG2 GLU 31 HG2 GLU 31 -10.906 -2.867 -2.279
224 HG3 GLU 31 HG3 GLU 31 -10.216 -1.238 -2.270
225 H ARG 32 H ARG 32 -10.042 -4.962 0.663
226 HA ARG 32 HA ARG 32 -12.971 -5.230 0.621
227 HB2 ARG 32 HB2 ARG 32 -11.087 -7.080 -0.884
228 HB3 ARG 32 HB3 ARG 32 -12.842 -7.239 -0.789
229 HG2 ARG 32 HG2 ARG 32 -11.286 -5.056 -2.210
230 HG3 ARG 32 HG3 ARG 32 -12.208 -6.353 -2.965
231 HD2 ARG 32 HD2 ARG 32 -13.185 -3.897 -1.550
232 HD3 ARG 32 HD3 ARG 32 -13.611 -4.520 -3.137
233 HE ARG 32 HE ARG 32 -14.751 -6.381 -1.851
234 HH11 ARG 32 HH11 ARG 32 -14.359 -3.163 -0.530
235 HH12 ARG 32 HH12 ARG 32 -15.807 -3.238 0.426
236 HH21 ARG 32 HH21 ARG 32 -16.656 -6.486 -0.592
237 HH22 ARG 32 HH22 ARG 32 -17.115 -5.129 0.389
238 H SER 33 H SER 33 -13.365 -7.782 1.079
239 HA SER 33 HA SER 33 -11.482 -8.870 2.979
240 HB2 SER 33 HB2 SER 33 -14.229 -7.971 3.908
241 HB3 SER 33 HB3 SER 33 -13.139 -8.995 4.843
242 HG SER 33 HG SER 33 -11.783 -6.856 4.017
Start of MODEL 39
1 HA ALA 1 HA ALA 1 -14.835 -1.299 0.977
2 HB1 ALA 1 HB1 ALA 1 -16.723 -0.976 -0.541
3 HB2 ALA 1 HB2 ALA 1 -15.351 0.028 -1.008
4 HB3 ALA 1 HB3 ALA 1 -16.729 0.748 -0.175
5 H SER 2 H SER 2 -13.169 0.211 0.145
6 HA SER 2 HA SER 2 -13.105 2.891 1.254
7 HB2 SER 2 HB2 SER 2 -12.342 1.210 3.116
8 HB3 SER 2 HB3 SER 2 -10.863 1.083 2.162
9 HG SER 2 HG SER 2 -11.530 3.670 2.470
10 HA PRO 3 HA PRO 3 -10.736 1.778 -2.734
11 HB2 PRO 3 HB2 PRO 3 -12.333 4.054 -3.766
12 HB3 PRO 3 HB3 PRO 3 -11.989 2.478 -4.510
13 HG2 PRO 3 HG2 PRO 3 -14.399 3.021 -3.517
14 HG3 PRO 3 HG3 PRO 3 -13.671 1.411 -3.346
15 HD2 PRO 3 HD2 PRO 3 -13.912 3.592 -1.275
16 HD3 PRO 3 HD3 PRO 3 -14.084 1.820 -1.092
17 H GLN 4 H GLN 4 -11.556 4.937 -1.336
18 HA GLN 4 HA GLN 4 -9.440 6.314 -2.660
19 HB2 GLN 4 HB2 GLN 4 -11.125 7.089 -0.275
20 HB3 GLN 4 HB3 GLN 4 -9.930 8.150 -1.003
21 HG2 GLN 4 HG2 GLN 4 -11.173 8.128 -3.110
22 HG3 GLN 4 HG3 GLN 4 -12.365 7.038 -2.404
23 HE21 GLN 4 HE21 GLN 4 -12.267 8.400 0.199
24 HE22 GLN 4 HE22 GLN 4 -13.142 9.879 -0.018
25 H GLN 5 H GLN 5 -9.864 5.101 0.635
26 HA GLN 5 HA GLN 5 -7.304 5.913 1.525
27 HB2 GLN 5 HB2 GLN 5 -9.243 3.864 2.573
28 HB3 GLN 5 HB3 GLN 5 -7.686 4.154 3.335
29 HG2 GLN 5 HG2 GLN 5 -9.816 6.250 2.928
30 HG3 GLN 5 HG3 GLN 5 -9.541 5.367 4.427
31 HE21 GLN 5 HE21 GLN 5 -6.614 5.410 4.098
32 HE22 GLN 5 HE22 GLN 5 -6.131 7.029 4.472
33 H ALA 6 H ALA 6 -8.493 3.069 -0.089
34 HA ALA 6 HA ALA 6 -6.221 1.441 0.252
35 HB1 ALA 6 HB1 ALA 6 -7.086 0.066 -1.482
36 HB2 ALA 6 HB2 ALA 6 -8.064 1.384 -2.120
37 HB3 ALA 6 HB3 ALA 6 -8.460 0.673 -0.555
38 H LYS 7 H LYS 7 -7.084 3.817 -2.218
39 HA LYS 7 HA LYS 7 -4.874 3.337 -3.917
40 HB2 LYS 7 HB2 LYS 7 -6.988 4.629 -4.481
41 HB3 LYS 7 HB3 LYS 7 -6.321 5.972 -3.568
42 HG2 LYS 7 HG2 LYS 7 -5.955 6.291 -5.935
43 HG3 LYS 7 HG3 LYS 7 -4.400 6.064 -5.093
44 HD2 LYS 7 HD2 LYS 7 -4.324 3.732 -5.817
45 HD3 LYS 7 HD3 LYS 7 -5.912 3.882 -6.575
46 HE2 LYS 7 HE2 LYS 7 -4.065 4.004 -8.224
47 HE3 LYS 7 HE3 LYS 7 -5.022 5.483 -8.178
48 HZ1 LYS 7 HZ1 LYS 7 -2.633 5.912 -8.265
49 HZ2 LYS 7 HZ2 LYS 7 -2.421 5.094 -6.803
50 HZ3 LYS 7 HZ3 LYS 7 -3.321 6.525 -6.848
51 H TYR 8 H TYR 8 -5.380 5.409 -1.141
52 HA TYR 8 HA TYR 8 -2.894 6.758 -1.198
53 HB2 TYR 8 HB2 TYR 8 -4.835 7.548 0.106
54 HB3 TYR 8 HB3 TYR 8 -4.715 6.123 1.137
55 HD1 TYR 8 HD1 TYR 8 -2.987 9.244 0.165
56 HD2 TYR 8 HD2 TYR 8 -3.254 6.068 2.979
57 HE1 TYR 8 HE1 TYR 8 -1.498 10.472 1.689
58 HE2 TYR 8 HE2 TYR 8 -1.765 7.282 4.505
59 HH TYR 8 HH TYR 8 -0.045 9.027 4.391
60 H CYS 9 H CYS 9 -4.001 3.778 0.328
61 HA CYS 9 HA CYS 9 -1.673 3.228 1.817
62 HB2 CYS 9 HB2 CYS 9 -3.856 2.094 2.195
63 HB3 CYS 9 HB3 CYS 9 -3.655 1.243 0.657
64 H TYR 10 H TYR 10 -2.697 2.080 -1.401
65 HA TYR 10 HA TYR 10 -0.364 0.556 -1.895
66 HB2 TYR 10 HB2 TYR 10 -2.501 1.702 -3.688
67 HB3 TYR 10 HB3 TYR 10 -1.086 0.888 -4.362
68 HD1 TYR 10 HD1 TYR 10 -4.342 0.456 -2.908
69 HD2 TYR 10 HD2 TYR 10 -0.642 -1.495 -3.671
70 HE1 TYR 10 HE1 TYR 10 -5.442 -1.721 -2.661
71 HE2 TYR 10 HE2 TYR 10 -1.730 -3.673 -3.419
72 HH TYR 10 HH TYR 10 -3.771 -4.616 -2.291
73 H GLU 11 H GLU 11 -0.986 3.942 -2.095
74 HA GLU 11 HA GLU 11 1.219 4.497 -3.836
75 HB2 GLU 11 HB2 GLU 11 -0.879 5.970 -3.405
76 HB3 GLU 11 HB3 GLU 11 0.008 6.504 -1.958
77 HG2 GLU 11 HG2 GLU 11 0.367 8.060 -3.762
78 HG3 GLU 11 HG3 GLU 11 1.880 7.201 -3.390
79 H GLN 12 H GLN 12 0.611 5.138 -0.382
80 HA GLN 12 HA GLN 12 3.254 6.047 0.057
81 HB2 GLN 12 HB2 GLN 12 1.053 5.303 1.985
82 HB3 GLN 12 HB3 GLN 12 2.582 6.009 2.478
83 HG2 GLN 12 HG2 GLN 12 0.930 7.364 0.409
84 HG3 GLN 12 HG3 GLN 12 0.499 7.504 2.107
85 HE21 GLN 12 HE21 GLN 12 3.818 7.190 1.126
86 HE22 GLN 12 HE22 GLN 12 4.283 8.814 1.502
87 H CYS 13 H CYS 13 1.840 2.888 0.138
88 HA CYS 13 HA CYS 13 3.445 1.633 2.044
89 HB2 CYS 13 HB2 CYS 13 2.891 -0.473 0.922
90 HB3 CYS 13 HB3 CYS 13 1.464 0.573 0.936
91 H ASN 14 H ASN 14 4.005 1.833 -1.475
92 HA ASN 14 HA ASN 14 6.662 0.776 -1.239
93 HB2 ASN 14 HB2 ASN 14 5.290 0.541 -3.316
94 HB3 ASN 14 HB3 ASN 14 5.461 2.273 -3.593
95 HD21 ASN 14 HD21 ASN 14 8.004 0.188 -2.325
96 HD22 ASN 14 HD22 ASN 14 9.046 0.347 -3.700
97 H VAL 15 H VAL 15 5.294 3.985 -1.145
98 HA VAL 15 HA VAL 15 7.671 5.410 -1.713
99 HB VAL 15 HB VAL 15 5.212 6.275 -0.180
100 HG11 VAL 15 HG11 VAL 15 6.014 8.574 -0.489
101 HG12 VAL 15 HG12 VAL 15 7.500 7.956 -1.211
102 HG13 VAL 15 HG13 VAL 15 7.141 7.625 0.484
103 HG21 VAL 15 HG21 VAL 15 4.778 5.764 -2.530
104 HG22 VAL 15 HG22 VAL 15 6.101 6.821 -3.019
105 HG23 VAL 15 HG23 VAL 15 4.668 7.499 -2.245
106 H ASN 16 H ASN 16 6.212 4.207 1.290
107 HA ASN 16 HA ASN 16 8.194 5.356 2.998
108 HB2 ASN 16 HB2 ASN 16 6.458 2.899 3.458
109 HB3 ASN 16 HB3 ASN 16 7.385 3.756 4.694
110 HD21 ASN 16 HD21 ASN 16 6.725 6.376 3.531
111 HD22 ASN 16 HD22 ASN 16 5.081 6.672 3.981
112 H LYS 17 H LYS 17 7.710 1.863 2.630
113 HA LYS 17 HA LYS 17 9.763 1.321 0.889
114 HB2 LYS 17 HB2 LYS 17 11.458 0.266 2.407
115 HB3 LYS 17 HB3 LYS 17 11.412 2.033 2.453
116 HG2 LYS 17 HG2 LYS 17 10.116 1.942 4.531
117 HG3 LYS 17 HG3 LYS 17 10.187 0.175 4.490
118 HD2 LYS 17 HD2 LYS 17 12.591 0.201 4.651
119 HD3 LYS 17 HD3 LYS 17 12.632 1.975 4.546
120 HE2 LYS 17 HE2 LYS 17 11.390 2.104 6.665
121 HE3 LYS 17 HE3 LYS 17 11.352 0.344 6.751
122 HZ1 LYS 17 HZ1 LYS 17 13.775 2.055 6.833
123 HZ2 LYS 17 HZ2 LYS 17 13.789 0.366 6.812
124 HZ3 LYS 17 HZ3 LYS 17 13.113 1.184 8.126
125 H VAL 18 H VAL 18 7.879 -0.022 0.297
126 HA VAL 18 HA VAL 18 8.325 -2.683 1.392
127 HB VAL 18 HB VAL 18 6.139 -3.265 1.924
128 HG11 VAL 18 HG11 VAL 18 5.162 -1.620 3.402
129 HG12 VAL 18 HG12 VAL 18 6.128 -0.342 2.662
130 HG13 VAL 18 HG13 VAL 18 6.920 -1.632 3.569
131 HG21 VAL 18 HG21 VAL 18 5.149 -2.581 -0.172
132 HG22 VAL 18 HG22 VAL 18 5.124 -0.899 0.366
133 HG23 VAL 18 HG23 VAL 18 4.128 -2.105 1.187
134 HA PRO 19 HA PRO 19 7.759 -3.725 -2.970
135 HB2 PRO 19 HB2 PRO 19 6.941 -6.384 -2.024
136 HB3 PRO 19 HB3 PRO 19 8.332 -5.935 -3.025
137 HG2 PRO 19 HG2 PRO 19 8.634 -6.764 -0.484
138 HG3 PRO 19 HG3 PRO 19 9.689 -5.540 -1.218
139 HD2 PRO 19 HD2 PRO 19 7.386 -5.151 0.670
140 HD3 PRO 19 HD3 PRO 19 8.972 -4.343 0.620
141 H PHE 20 H PHE 20 5.985 -4.212 -4.400
142 HA PHE 20 HA PHE 20 3.486 -3.281 -3.516
143 HB2 PHE 20 HB2 PHE 20 4.288 -3.245 -5.894
144 HB3 PHE 20 HB3 PHE 20 3.966 -4.974 -5.977
145 HD1 PHE 20 HD1 PHE 20 1.695 -5.821 -6.009
146 HD2 PHE 20 HD2 PHE 20 2.483 -1.645 -5.804
147 HE1 PHE 20 HE1 PHE 20 -0.648 -5.354 -6.602
148 HE2 PHE 20 HE2 PHE 20 0.144 -1.172 -6.394
149 HZ PHE 20 HZ PHE 20 -1.426 -3.027 -6.791
150 H ASP 21 H ASP 21 4.696 -6.588 -3.917
151 HA ASP 21 HA ASP 21 2.277 -7.927 -3.471
152 HB2 ASP 21 HB2 ASP 21 3.639 -9.854 -2.751
153 HB3 ASP 21 HB3 ASP 21 4.248 -9.139 -4.239
154 H GLN 22 H GLN 22 4.556 -6.475 -1.238
155 HA GLN 22 HA GLN 22 3.247 -7.376 1.131
156 HB2 GLN 22 HB2 GLN 22 5.583 -6.689 1.181
157 HB3 GLN 22 HB3 GLN 22 5.135 -5.058 0.690
158 HG2 GLN 22 HG2 GLN 22 5.568 -5.104 3.048
159 HG3 GLN 22 HG3 GLN 22 3.846 -4.812 2.768
160 HE21 GLN 22 HE21 GLN 22 2.361 -6.357 3.341
161 HE22 GLN 22 HE22 GLN 22 2.755 -7.701 4.361
162 H CYS 23 H CYS 23 3.076 -4.431 -0.866
163 HA CYS 23 HA CYS 23 1.229 -2.992 0.645
164 HB2 CYS 23 HB2 CYS 23 1.241 -3.197 -2.385
165 HB3 CYS 23 HB3 CYS 23 0.529 -1.907 -1.426
166 H TYR 24 H TYR 24 0.734 -5.601 -1.667
167 HA TYR 24 HA TYR 24 -2.084 -5.559 -1.652
168 HB2 TYR 24 HB2 TYR 24 -0.368 -6.784 -3.236
169 HB3 TYR 24 HB3 TYR 24 -0.563 -8.109 -2.078
170 HD1 TYR 24 HD1 TYR 24 -2.903 -8.995 -1.667
171 HD2 TYR 24 HD2 TYR 24 -1.962 -6.395 -4.892
172 HE1 TYR 24 HE1 TYR 24 -4.964 -9.677 -2.807
173 HE2 TYR 24 HE2 TYR 24 -4.021 -7.066 -6.046
174 HH TYR 24 HH TYR 24 -6.492 -8.867 -4.495
175 H GLN 25 H GLN 25 0.205 -6.782 0.641
176 HA GLN 25 HA GLN 25 -1.721 -8.605 1.820
177 HB2 GLN 25 HB2 GLN 25 1.107 -7.859 2.587
178 HB3 GLN 25 HB3 GLN 25 0.097 -8.902 3.583
179 HG2 GLN 25 HG2 GLN 25 1.067 -9.446 0.769
180 HG3 GLN 25 HG3 GLN 25 1.492 -10.311 2.244
181 HE21 GLN 25 HE21 GLN 25 -0.021 -11.704 3.187
182 HE22 GLN 25 HE22 GLN 25 -1.381 -12.303 2.295
183 H MET 26 H MET 26 -0.493 -5.385 2.373
184 HA MET 26 HA MET 26 -1.862 -5.214 4.930
185 HB2 MET 26 HB2 MET 26 0.249 -4.138 4.930
186 HB3 MET 26 HB3 MET 26 -0.073 -3.350 3.395
187 HG2 MET 26 HG2 MET 26 -1.776 -1.943 4.486
188 HG3 MET 26 HG3 MET 26 -1.401 -2.713 6.028
189 HE1 MET 26 HE1 MET 26 1.470 -1.930 3.396
190 HE2 MET 26 HE2 MET 26 1.744 -0.220 3.724
191 HE3 MET 26 HE3 MET 26 0.216 -0.747 3.020
192 H CYS 27 H CYS 27 -2.081 -3.712 1.707
193 HA CYS 27 HA CYS 27 -4.163 -1.930 2.561
194 HB2 CYS 27 HB2 CYS 27 -3.257 -2.504 -0.277
195 HB3 CYS 27 HB3 CYS 27 -4.139 -1.080 0.307
196 H SER 28 H SER 28 -4.104 -4.980 0.749
197 HA SER 28 HA SER 28 -6.690 -4.784 -0.278
198 HB2 SER 28 HB2 SER 28 -5.124 -7.282 0.351
199 HB3 SER 28 HB3 SER 28 -6.592 -7.213 -0.633
200 HG SER 28 HG SER 28 -5.532 -6.179 -2.194
201 HA PRO 29 HA PRO 29 -8.220 -7.289 3.714
202 HB2 PRO 29 HB2 PRO 29 -6.239 -6.039 5.565
203 HB3 PRO 29 HB3 PRO 29 -7.021 -7.632 5.658
204 HG2 PRO 29 HG2 PRO 29 -4.507 -7.470 4.847
205 HG3 PRO 29 HG3 PRO 29 -5.647 -8.550 4.004
206 HD2 PRO 29 HD2 PRO 29 -4.614 -5.851 3.166
207 HD3 PRO 29 HD3 PRO 29 -4.916 -7.304 2.184
208 H LEU 30 H LEU 30 -6.938 -4.061 3.544
209 HA LEU 30 HA LEU 30 -8.749 -2.818 5.354
210 HB2 LEU 30 HB2 LEU 30 -6.837 -1.537 4.939
211 HB3 LEU 30 HB3 LEU 30 -6.888 -1.870 3.199
212 HG LEU 30 HG LEU 30 -8.871 -0.393 3.003
213 HD11 LEU 30 HD11 LEU 30 -9.674 -0.574 5.307
214 HD12 LEU 30 HD12 LEU 30 -9.456 1.104 4.813
215 HD13 LEU 30 HD13 LEU 30 -8.270 0.336 5.868
216 HD21 LEU 30 HD21 LEU 30 -7.630 1.703 3.220
217 HD22 LEU 30 HD22 LEU 30 -6.622 0.436 2.519
218 HD23 LEU 30 HD23 LEU 30 -6.419 0.890 4.210
219 H GLU 31 H GLU 31 -8.633 -3.031 1.829
220 HA GLU 31 HA GLU 31 -11.168 -1.683 1.556
221 HB2 GLU 31 HB2 GLU 31 -9.085 -1.660 -0.035
222 HB3 GLU 31 HB3 GLU 31 -9.817 -3.128 -0.696
223 HG2 GLU 31 HG2 GLU 31 -11.069 -0.371 -0.599
224 HG3 GLU 31 HG3 GLU 31 -10.436 -1.197 -2.030
225 H ARG 32 H ARG 32 -9.956 -4.974 0.968
226 HA ARG 32 HA ARG 32 -12.745 -5.880 0.834
227 HB2 ARG 32 HB2 ARG 32 -11.645 -5.580 -1.462
228 HB3 ARG 32 HB3 ARG 32 -10.554 -6.890 -1.000
229 HG2 ARG 32 HG2 ARG 32 -12.314 -7.786 -2.388
230 HG3 ARG 32 HG3 ARG 32 -12.503 -8.395 -0.742
231 HD2 ARG 32 HD2 ARG 32 -14.538 -7.432 -2.166
232 HD3 ARG 32 HD3 ARG 32 -14.466 -7.295 -0.414
233 HE ARG 32 HE ARG 32 -13.227 -5.048 -1.625
234 HH11 ARG 32 HH11 ARG 32 -16.372 -6.450 -1.068
235 HH12 ARG 32 HH12 ARG 32 -17.197 -4.926 -1.066
236 HH21 ARG 32 HH21 ARG 32 -14.281 -3.029 -1.581
237 HH22 ARG 32 HH22 ARG 32 -16.005 -2.975 -1.358
238 H SER 33 H SER 33 -13.007 -7.226 2.488
239 HA SER 33 HA SER 33 -11.264 -9.509 2.804
240 HB2 SER 33 HB2 SER 33 -10.162 -7.622 4.131
241 HB3 SER 33 HB3 SER 33 -11.576 -7.652 5.182
242 HG SER 33 HG SER 33 -10.913 -9.460 6.053
Start of MODEL 40
1 HA ALA 1 HA ALA 1 -16.879 0.942 1.719
2 HB1 ALA 1 HB1 ALA 1 -14.132 -0.137 2.329
3 HB2 ALA 1 HB2 ALA 1 -15.646 -0.992 2.615
4 HB3 ALA 1 HB3 ALA 1 -15.294 0.498 3.491
5 H SER 2 H SER 2 -13.559 1.299 0.458
6 HA SER 2 HA SER 2 -13.909 4.155 0.245
7 HB2 SER 2 HB2 SER 2 -13.313 3.878 2.671
8 HB3 SER 2 HB3 SER 2 -11.805 3.112 2.169
9 HG SER 2 HG SER 2 -12.492 5.762 2.211
10 HA PRO 3 HA PRO 3 -11.049 2.236 -2.890
11 HB2 PRO 3 HB2 PRO 3 -12.395 4.264 -4.582
12 HB3 PRO 3 HB3 PRO 3 -12.086 2.543 -4.905
13 HG2 PRO 3 HG2 PRO 3 -14.546 3.413 -4.350
14 HG3 PRO 3 HG3 PRO 3 -13.956 1.849 -3.749
15 HD2 PRO 3 HD2 PRO 3 -14.243 4.449 -2.249
16 HD3 PRO 3 HD3 PRO 3 -14.587 2.773 -1.711
17 H GLN 4 H GLN 4 -11.636 5.300 -1.542
18 HA GLN 4 HA GLN 4 -9.569 6.689 -2.997
19 HB2 GLN 4 HB2 GLN 4 -11.310 7.502 -0.672
20 HB3 GLN 4 HB3 GLN 4 -10.072 8.543 -1.363
21 HG2 GLN 4 HG2 GLN 4 -12.413 7.415 -2.895
22 HG3 GLN 4 HG3 GLN 4 -12.338 9.042 -2.219
23 HE21 GLN 4 HE21 GLN 4 -9.527 9.408 -2.837
24 HE22 GLN 4 HE22 GLN 4 -9.424 9.634 -4.551
25 H GLN 5 H GLN 5 -10.026 5.727 0.421
26 HA GLN 5 HA GLN 5 -7.399 6.460 1.153
27 HB2 GLN 5 HB2 GLN 5 -7.784 5.496 3.249
28 HB3 GLN 5 HB3 GLN 5 -9.372 6.031 2.730
29 HG2 GLN 5 HG2 GLN 5 -9.976 3.782 2.118
30 HG3 GLN 5 HG3 GLN 5 -8.350 3.215 2.480
31 HE21 GLN 5 HE21 GLN 5 -8.105 4.886 4.865
32 HE22 GLN 5 HE22 GLN 5 -9.085 4.129 6.076
33 H ALA 6 H ALA 6 -8.748 3.622 -0.277
34 HA ALA 6 HA ALA 6 -6.652 1.807 0.096
35 HB1 ALA 6 HB1 ALA 6 -7.436 0.723 -1.976
36 HB2 ALA 6 HB2 ALA 6 -8.472 2.111 -2.290
37 HB3 ALA 6 HB3 ALA 6 -8.761 1.100 -0.872
38 H LYS 7 H LYS 7 -7.068 4.417 -2.243
39 HA LYS 7 HA LYS 7 -4.795 3.836 -3.814
40 HB2 LYS 7 HB2 LYS 7 -6.601 5.419 -4.495
41 HB3 LYS 7 HB3 LYS 7 -6.037 6.549 -3.276
42 HG2 LYS 7 HG2 LYS 7 -5.213 7.246 -5.408
43 HG3 LYS 7 HG3 LYS 7 -3.840 6.650 -4.439
44 HD2 LYS 7 HD2 LYS 7 -3.941 4.497 -5.620
45 HD3 LYS 7 HD3 LYS 7 -5.328 5.056 -6.557
46 HE2 LYS 7 HE2 LYS 7 -3.318 5.237 -7.909
47 HE3 LYS 7 HE3 LYS 7 -3.908 6.851 -7.514
48 HZ1 LYS 7 HZ1 LYS 7 -1.747 5.485 -6.015
49 HZ2 LYS 7 HZ2 LYS 7 -2.210 7.108 -5.882
50 HZ3 LYS 7 HZ3 LYS 7 -1.469 6.550 -7.296
51 H TYR 8 H TYR 8 -5.272 5.747 -0.893
52 HA TYR 8 HA TYR 8 -2.661 6.785 -0.698
53 HB2 TYR 8 HB2 TYR 8 -4.545 7.695 0.608
54 HB3 TYR 8 HB3 TYR 8 -4.656 6.179 1.504
55 HD1 TYR 8 HD1 TYR 8 -3.225 5.725 3.345
56 HD2 TYR 8 HD2 TYR 8 -2.562 9.165 0.939
57 HE1 TYR 8 HE1 TYR 8 -1.637 6.575 5.014
58 HE2 TYR 8 HE2 TYR 8 -0.972 10.030 2.605
59 HH TYR 8 HH TYR 8 0.223 8.103 5.178
60 H CYS 9 H CYS 9 -4.163 3.836 0.552
61 HA CYS 9 HA CYS 9 -2.056 2.918 2.134
62 HB2 CYS 9 HB2 CYS 9 -4.428 1.947 1.925
63 HB3 CYS 9 HB3 CYS 9 -3.828 1.064 0.517
64 H TYR 10 H TYR 10 -2.737 2.217 -1.290
65 HA TYR 10 HA TYR 10 -0.364 0.641 -1.604
66 HB2 TYR 10 HB2 TYR 10 -2.353 1.745 -3.603
67 HB3 TYR 10 HB3 TYR 10 -0.967 0.748 -4.057
68 HD1 TYR 10 HD1 TYR 10 -4.347 0.758 -2.818
69 HD2 TYR 10 HD2 TYR 10 -0.807 -1.578 -3.127
70 HE1 TYR 10 HE1 TYR 10 -5.656 -1.272 -2.421
71 HE2 TYR 10 HE2 TYR 10 -2.110 -3.610 -2.734
72 HH TYR 10 HH TYR 10 -5.504 -3.682 -2.883
73 H GLU 11 H GLU 11 -1.235 3.981 -2.364
74 HA GLU 11 HA GLU 11 0.945 4.517 -4.060
75 HB2 GLU 11 HB2 GLU 11 -1.173 5.885 -3.843
76 HB3 GLU 11 HB3 GLU 11 -0.518 6.527 -2.322
77 HG2 GLU 11 HG2 GLU 11 1.346 7.512 -3.523
78 HG3 GLU 11 HG3 GLU 11 0.744 6.822 -5.050
79 H GLN 12 H GLN 12 0.571 4.686 -0.563
80 HA GLN 12 HA GLN 12 3.084 6.040 -0.203
81 HB2 GLN 12 HB2 GLN 12 1.290 4.743 1.854
82 HB3 GLN 12 HB3 GLN 12 2.658 5.788 2.184
83 HG2 GLN 12 HG2 GLN 12 0.212 6.595 0.657
84 HG3 GLN 12 HG3 GLN 12 0.511 6.940 2.353
85 HE21 GLN 12 HE21 GLN 12 1.380 7.663 -0.914
86 HE22 GLN 12 HE22 GLN 12 2.284 9.107 -0.580
87 H CYS 13 H CYS 13 2.094 2.800 -0.618
88 HA CYS 13 HA CYS 13 3.835 1.347 0.953
89 HB2 CYS 13 HB2 CYS 13 2.903 0.745 -1.877
90 HB3 CYS 13 HB3 CYS 13 3.732 -0.411 -0.836
91 H ASN 14 H ASN 14 4.471 2.531 -2.363
92 HA ASN 14 HA ASN 14 7.188 1.597 -2.259
93 HB2 ASN 14 HB2 ASN 14 5.855 1.742 -4.386
94 HB3 ASN 14 HB3 ASN 14 5.958 3.498 -4.283
95 HD21 ASN 14 HD21 ASN 14 8.539 1.228 -3.441
96 HD22 ASN 14 HD22 ASN 14 9.608 1.724 -4.710
97 H VAL 15 H VAL 15 5.531 4.515 -1.464
98 HA VAL 15 HA VAL 15 7.735 6.292 -1.614
99 HB VAL 15 HB VAL 15 5.128 6.486 -0.101
100 HG11 VAL 15 HG11 VAL 15 5.623 8.862 0.202
101 HG12 VAL 15 HG12 VAL 15 7.209 8.631 -0.532
102 HG13 VAL 15 HG13 VAL 15 6.830 7.855 1.006
103 HG21 VAL 15 HG21 VAL 15 4.545 8.103 -1.870
104 HG22 VAL 15 HG22 VAL 15 4.868 6.497 -2.519
105 HG23 VAL 15 HG23 VAL 15 6.083 7.766 -2.663
106 H ASN 16 H ASN 16 6.277 4.405 1.035
107 HA ASN 16 HA ASN 16 8.169 5.465 2.942
108 HB2 ASN 16 HB2 ASN 16 6.246 3.122 3.163
109 HB3 ASN 16 HB3 ASN 16 7.193 3.792 4.497
110 HD21 ASN 16 HD21 ASN 16 6.852 6.541 3.616
111 HD22 ASN 16 HD22 ASN 16 5.216 6.961 3.989
112 H LYS 17 H LYS 17 7.545 2.022 2.405
113 HA LYS 17 HA LYS 17 9.720 1.352 0.877
114 HB2 LYS 17 HB2 LYS 17 11.092 2.145 2.812
115 HB3 LYS 17 HB3 LYS 17 10.343 0.883 3.802
116 HG2 LYS 17 HG2 LYS 17 11.272 -0.835 2.318
117 HG3 LYS 17 HG3 LYS 17 12.025 0.429 1.337
118 HD2 LYS 17 HD2 LYS 17 13.395 1.146 3.182
119 HD3 LYS 17 HD3 LYS 17 12.586 0.017 4.291
120 HE2 LYS 17 HE2 LYS 17 13.404 -1.849 2.833
121 HE3 LYS 17 HE3 LYS 17 14.321 -0.660 1.909
122 HZ1 LYS 17 HZ1 LYS 17 15.715 -1.707 3.548
123 HZ2 LYS 17 HZ2 LYS 17 14.658 -1.272 4.792
124 HZ3 LYS 17 HZ3 LYS 17 15.508 -0.077 3.949
125 H VAL 18 H VAL 18 7.833 0.032 0.180
126 HA VAL 18 HA VAL 18 8.089 -2.587 1.292
127 HB VAL 18 HB VAL 18 6.536 -1.964 2.950
128 HG11 VAL 18 HG11 VAL 18 5.782 0.140 2.044
129 HG12 VAL 18 HG12 VAL 18 4.390 -0.858 2.468
130 HG13 VAL 18 HG13 VAL 18 4.881 -0.697 0.782
131 HG21 VAL 18 HG21 VAL 18 5.949 -4.093 2.068
132 HG22 VAL 18 HG22 VAL 18 5.122 -3.367 0.693
133 HG23 VAL 18 HG23 VAL 18 4.438 -3.211 2.312
134 HA PRO 19 HA PRO 19 7.351 -3.421 -3.033
135 HB2 PRO 19 HB2 PRO 19 6.948 -6.150 -1.925
136 HB3 PRO 19 HB3 PRO 19 8.022 -5.616 -3.230
137 HG2 PRO 19 HG2 PRO 19 9.016 -6.259 -0.843
138 HG3 PRO 19 HG3 PRO 19 9.667 -4.897 -1.775
139 HD2 PRO 19 HD2 PRO 19 7.842 -4.856 0.600
140 HD3 PRO 19 HD3 PRO 19 9.174 -3.757 0.162
141 H PHE 20 H PHE 20 5.563 -3.750 -4.269
142 HA PHE 20 HA PHE 20 3.061 -3.178 -3.197
143 HB2 PHE 20 HB2 PHE 20 3.842 -2.857 -5.591
144 HB3 PHE 20 HB3 PHE 20 3.515 -4.566 -5.841
145 HD1 PHE 20 HD1 PHE 20 2.086 -1.260 -5.465
146 HD2 PHE 20 HD2 PHE 20 1.210 -5.414 -5.749
147 HE1 PHE 20 HE1 PHE 20 -0.260 -0.725 -5.981
148 HE2 PHE 20 HE2 PHE 20 -1.139 -4.887 -6.267
149 HZ PHE 20 HZ PHE 20 -1.875 -2.540 -6.383
150 H ASP 21 H ASP 21 4.489 -6.304 -4.015
151 HA ASP 21 HA ASP 21 2.133 -7.836 -3.716
152 HB2 ASP 21 HB2 ASP 21 3.728 -9.765 -3.444
153 HB3 ASP 21 HB3 ASP 21 3.976 -8.806 -4.900
154 H GLN 22 H GLN 22 4.790 -7.174 -1.438
155 HA GLN 22 HA GLN 22 3.582 -8.529 0.742
156 HB2 GLN 22 HB2 GLN 22 6.003 -8.017 0.641
157 HB3 GLN 22 HB3 GLN 22 5.643 -6.300 0.771
158 HG2 GLN 22 HG2 GLN 22 4.501 -6.869 2.971
159 HG3 GLN 22 HG3 GLN 22 5.290 -8.447 2.834
160 HE21 GLN 22 HE21 GLN 22 5.657 -6.372 4.839
161 HE22 GLN 22 HE22 GLN 22 7.336 -5.951 4.796
162 H CYS 23 H CYS 23 3.386 -5.243 -0.488
163 HA CYS 23 HA CYS 23 2.039 -4.205 1.810
164 HB2 CYS 23 HB2 CYS 23 3.194 -2.992 -0.318
165 HB3 CYS 23 HB3 CYS 23 1.493 -2.912 -0.799
166 H TYR 24 H TYR 24 1.029 -5.801 -1.122
167 HA TYR 24 HA TYR 24 -1.709 -5.396 -1.054
168 HB2 TYR 24 HB2 TYR 24 -0.495 -6.648 -2.846
169 HB3 TYR 24 HB3 TYR 24 -0.297 -8.002 -1.725
170 HD1 TYR 24 HD1 TYR 24 -2.239 -9.361 -1.067
171 HD2 TYR 24 HD2 TYR 24 -2.599 -6.218 -3.907
172 HE1 TYR 24 HE1 TYR 24 -4.402 -10.268 -1.785
173 HE2 TYR 24 HE2 TYR 24 -4.766 -7.114 -4.631
174 HH TYR 24 HH TYR 24 -6.416 -9.581 -2.879
175 H GLN 25 H GLN 25 0.303 -7.445 0.981
176 HA GLN 25 HA GLN 25 -1.843 -8.992 2.023
177 HB2 GLN 25 HB2 GLN 25 -0.266 -10.071 3.314
178 HB3 GLN 25 HB3 GLN 25 0.816 -9.339 2.134
179 HG2 GLN 25 HG2 GLN 25 1.235 -7.481 3.708
180 HG3 GLN 25 HG3 GLN 25 0.193 -8.270 4.888
181 HE21 GLN 25 HE21 GLN 25 1.153 -10.946 4.071
182 HE22 GLN 25 HE22 GLN 25 2.727 -11.098 4.773
183 H MET 26 H MET 26 -0.625 -5.834 2.739
184 HA MET 26 HA MET 26 -2.022 -5.705 5.284
185 HB2 MET 26 HB2 MET 26 0.139 -4.644 5.229
186 HB3 MET 26 HB3 MET 26 -0.294 -3.735 3.792
187 HG2 MET 26 HG2 MET 26 -1.970 -2.487 5.111
188 HG3 MET 26 HG3 MET 26 -1.453 -3.363 6.552
189 HE1 MET 26 HE1 MET 26 1.321 -0.467 4.235
190 HE2 MET 26 HE2 MET 26 -0.327 -0.837 3.731
191 HE3 MET 26 HE3 MET 26 0.922 -2.077 3.642
192 H CYS 27 H CYS 27 -2.190 -4.125 2.084
193 HA CYS 27 HA CYS 27 -4.477 -2.559 2.882
194 HB2 CYS 27 HB2 CYS 27 -3.353 -2.936 0.084
195 HB3 CYS 27 HB3 CYS 27 -4.457 -1.657 0.626
196 H SER 28 H SER 28 -4.168 -5.759 1.796
197 HA SER 28 HA SER 28 -6.335 -5.973 0.060
198 HB2 SER 28 HB2 SER 28 -6.351 -8.448 0.872
199 HB3 SER 28 HB3 SER 28 -4.962 -7.822 -0.024
200 HG SER 28 HG SER 28 -3.763 -7.888 1.735
201 HA PRO 29 HA PRO 29 -9.225 -7.167 3.807
202 HB2 PRO 29 HB2 PRO 29 -7.897 -5.646 5.984
203 HB3 PRO 29 HB3 PRO 29 -8.717 -7.217 6.046
204 HG2 PRO 29 HG2 PRO 29 -6.065 -7.110 6.157
205 HG3 PRO 29 HG3 PRO 29 -6.878 -8.366 5.189
206 HD2 PRO 29 HD2 PRO 29 -5.575 -5.810 4.262
207 HD3 PRO 29 HD3 PRO 29 -5.493 -7.444 3.554
208 H LEU 30 H LEU 30 -7.673 -4.249 3.066
209 HA LEU 30 HA LEU 30 -9.827 -2.524 3.989
210 HB2 LEU 30 HB2 LEU 30 -7.285 -2.000 4.045
211 HB3 LEU 30 HB3 LEU 30 -7.451 -1.725 2.303
212 HG LEU 30 HG LEU 30 -8.786 -0.150 4.531
213 HD11 LEU 30 HD11 LEU 30 -6.421 0.335 4.248
214 HD12 LEU 30 HD12 LEU 30 -7.398 1.683 3.666
215 HD13 LEU 30 HD13 LEU 30 -6.660 0.570 2.514
216 HD21 LEU 30 HD21 LEU 30 -8.967 0.305 1.547
217 HD22 LEU 30 HD22 LEU 30 -9.694 1.296 2.813
218 HD23 LEU 30 HD23 LEU 30 -10.259 -0.355 2.548
219 H GLU 31 H GLU 31 -8.135 -3.146 0.936
220 HA GLU 31 HA GLU 31 -10.154 -1.790 -0.591
221 HB2 GLU 31 HB2 GLU 31 -7.767 -1.658 -1.203
222 HB3 GLU 31 HB3 GLU 31 -7.756 -3.399 -1.508
223 HG2 GLU 31 HG2 GLU 31 -9.460 -3.040 -3.283
224 HG3 GLU 31 HG3 GLU 31 -9.275 -1.295 -3.052
225 H ARG 32 H ARG 32 -9.436 -5.136 0.144
226 HA ARG 32 HA ARG 32 -11.375 -5.963 -1.915
227 HB2 ARG 32 HB2 ARG 32 -9.190 -7.615 -0.600
228 HB3 ARG 32 HB3 ARG 32 -10.345 -8.233 -1.778
229 HG2 ARG 32 HG2 ARG 32 -8.283 -6.064 -2.317
230 HG3 ARG 32 HG3 ARG 32 -8.099 -7.759 -2.753
231 HD2 ARG 32 HD2 ARG 32 -8.747 -6.497 -4.693
232 HD3 ARG 32 HD3 ARG 32 -10.085 -7.544 -4.242
233 HE ARG 32 HE ARG 32 -10.431 -5.015 -3.046
234 HH11 ARG 32 HH11 ARG 32 -10.508 -6.510 -6.210
235 HH12 ARG 32 HH12 ARG 32 -11.641 -5.368 -6.859
236 HH21 ARG 32 HH21 ARG 32 -11.920 -3.514 -3.889
237 HH22 ARG 32 HH22 ARG 32 -12.458 -3.672 -5.532
238 H SER 33 H SER 33 -13.267 -6.669 -1.264
239 HA SER 33 HA SER 33 -13.583 -7.419 1.565
240 HB2 SER 33 HB2 SER 33 -15.768 -6.562 -0.364
241 HB3 SER 33 HB3 SER 33 -15.902 -6.753 1.384
242 HG SER 33 HG SER 33 -14.067 -5.095 1.327
Start of MODEL 41
1 HA ALA 1 HA ALA 1 -16.213 1.857 1.129
2 HB1 ALA 1 HB1 ALA 1 -18.654 2.131 1.289
3 HB2 ALA 1 HB2 ALA 1 -17.964 3.059 -0.041
4 HB3 ALA 1 HB3 ALA 1 -18.433 3.873 1.450
5 H SER 2 H SER 2 -14.384 2.725 0.423
6 HA SER 2 HA SER 2 -14.079 5.475 -0.173
7 HB2 SER 2 HB2 SER 2 -13.854 5.570 2.352
8 HB3 SER 2 HB3 SER 2 -12.428 4.544 2.199
9 HG SER 2 HG SER 2 -12.003 6.846 2.286
10 HA PRO 3 HA PRO 3 -11.281 2.484 -2.402
11 HB2 PRO 3 HB2 PRO 3 -11.801 4.486 -4.536
12 HB3 PRO 3 HB3 PRO 3 -11.821 2.711 -4.620
13 HG2 PRO 3 HG2 PRO 3 -14.092 4.108 -4.657
14 HG3 PRO 3 HG3 PRO 3 -13.970 2.561 -3.794
15 HD2 PRO 3 HD2 PRO 3 -13.978 5.351 -2.662
16 HD3 PRO 3 HD3 PRO 3 -14.714 3.852 -2.012
17 H GLN 4 H GLN 4 -11.377 5.941 -1.965
18 HA GLN 4 HA GLN 4 -8.825 6.561 -2.978
19 HB2 GLN 4 HB2 GLN 4 -10.550 8.258 -2.656
20 HB3 GLN 4 HB3 GLN 4 -10.498 8.002 -0.916
21 HG2 GLN 4 HG2 GLN 4 -8.121 8.739 -0.942
22 HG3 GLN 4 HG3 GLN 4 -8.306 9.140 -2.649
23 HE21 GLN 4 HE21 GLN 4 -11.093 10.021 -2.228
24 HE22 GLN 4 HE22 GLN 4 -10.972 11.578 -1.481
25 H GLN 5 H GLN 5 -9.954 5.721 0.278
26 HA GLN 5 HA GLN 5 -7.508 6.244 1.571
27 HB2 GLN 5 HB2 GLN 5 -8.355 5.150 3.480
28 HB3 GLN 5 HB3 GLN 5 -9.749 5.888 2.712
29 HG2 GLN 5 HG2 GLN 5 -10.413 3.749 1.789
30 HG3 GLN 5 HG3 GLN 5 -8.963 2.993 2.443
31 HE21 GLN 5 HE21 GLN 5 -9.106 4.499 4.949
32 HE22 GLN 5 HE22 GLN 5 -10.404 3.798 5.854
33 H ALA 6 H ALA 6 -8.712 3.481 -0.138
34 HA ALA 6 HA ALA 6 -6.574 1.732 0.554
35 HB1 ALA 6 HB1 ALA 6 -7.368 0.318 -1.253
36 HB2 ALA 6 HB2 ALA 6 -8.393 1.623 -1.849
37 HB3 ALA 6 HB3 ALA 6 -8.726 0.890 -0.278
38 H LYS 7 H LYS 7 -7.216 3.930 -2.125
39 HA LYS 7 HA LYS 7 -4.931 3.315 -3.646
40 HB2 LYS 7 HB2 LYS 7 -6.849 4.585 -4.537
41 HB3 LYS 7 HB3 LYS 7 -6.451 5.927 -3.475
42 HG2 LYS 7 HG2 LYS 7 -5.679 6.420 -5.685
43 HG3 LYS 7 HG3 LYS 7 -4.274 6.155 -4.620
44 HD2 LYS 7 HD2 LYS 7 -4.144 3.811 -5.471
45 HD3 LYS 7 HD3 LYS 7 -5.447 4.178 -6.606
46 HE2 LYS 7 HE2 LYS 7 -3.281 4.354 -7.725
47 HE3 LYS 7 HE3 LYS 7 -4.038 5.943 -7.610
48 HZ1 LYS 7 HZ1 LYS 7 -1.683 6.010 -7.051
49 HZ2 LYS 7 HZ2 LYS 7 -1.934 4.918 -5.786
50 HZ3 LYS 7 HZ3 LYS 7 -2.636 6.455 -5.727
51 H TYR 8 H TYR 8 -5.483 5.538 -0.975
52 HA TYR 8 HA TYR 8 -2.958 6.800 -1.006
53 HB2 TYR 8 HB2 TYR 8 -4.910 7.660 0.267
54 HB3 TYR 8 HB3 TYR 8 -4.776 6.284 1.363
55 HD1 TYR 8 HD1 TYR 8 -3.176 6.252 3.121
56 HD2 TYR 8 HD2 TYR 8 -3.129 9.388 0.251
57 HE1 TYR 8 HE1 TYR 8 -1.604 7.505 4.532
58 HE2 TYR 8 HE2 TYR 8 -1.555 10.655 1.653
59 HH TYR 8 HH TYR 8 0.143 9.280 4.200
60 H CYS 9 H CYS 9 -4.146 3.875 0.579
61 HA CYS 9 HA CYS 9 -1.810 3.293 2.050
62 HB2 CYS 9 HB2 CYS 9 -4.024 2.176 2.401
63 HB3 CYS 9 HB3 CYS 9 -3.789 1.303 0.882
64 H TYR 10 H TYR 10 -2.871 2.307 -1.187
65 HA TYR 10 HA TYR 10 -0.549 0.783 -1.772
66 HB2 TYR 10 HB2 TYR 10 -2.781 1.911 -3.451
67 HB3 TYR 10 HB3 TYR 10 -1.368 1.171 -4.209
68 HD1 TYR 10 HD1 TYR 10 -0.821 -1.207 -3.680
69 HD2 TYR 10 HD2 TYR 10 -4.521 0.567 -2.558
70 HE1 TYR 10 HE1 TYR 10 -1.802 -3.436 -3.426
71 HE2 TYR 10 HE2 TYR 10 -5.513 -1.663 -2.296
72 HH TYR 10 HH TYR 10 -3.629 -4.524 -2.279
73 H GLU 11 H GLU 11 -1.268 4.199 -2.045
74 HA GLU 11 HA GLU 11 0.879 4.688 -3.870
75 HB2 GLU 11 HB2 GLU 11 0.306 6.965 -3.782
76 HB3 GLU 11 HB3 GLU 11 -1.237 6.115 -3.585
77 HG2 GLU 11 HG2 GLU 11 -1.082 6.483 -1.159
78 HG3 GLU 11 HG3 GLU 11 0.419 7.398 -1.422
79 H GLN 12 H GLN 12 0.444 5.033 -0.356
80 HA GLN 12 HA GLN 12 3.075 6.139 -0.053
81 HB2 GLN 12 HB2 GLN 12 1.031 5.254 1.986
82 HB3 GLN 12 HB3 GLN 12 2.561 6.008 2.395
83 HG2 GLN 12 HG2 GLN 12 0.692 7.346 0.508
84 HG3 GLN 12 HG3 GLN 12 0.414 7.427 2.238
85 HE21 GLN 12 HE21 GLN 12 3.636 7.287 0.937
86 HE22 GLN 12 HE22 GLN 12 4.060 8.923 1.302
87 H CYS 13 H CYS 13 1.738 2.935 0.037
88 HA CYS 13 HA CYS 13 3.426 1.741 1.908
89 HB2 CYS 13 HB2 CYS 13 2.848 -0.394 0.857
90 HB3 CYS 13 HB3 CYS 13 1.416 0.638 0.952
91 H ASN 14 H ASN 14 3.881 1.856 -1.645
92 HA ASN 14 HA ASN 14 6.507 0.751 -1.469
93 HB2 ASN 14 HB2 ASN 14 6.715 1.492 -3.868
94 HB3 ASN 14 HB3 ASN 14 5.344 0.448 -3.528
95 HD21 ASN 14 HD21 ASN 14 6.291 3.784 -4.258
96 HD22 ASN 14 HD22 ASN 14 4.713 4.279 -4.775
97 H VAL 15 H VAL 15 5.252 3.994 -1.329
98 HA VAL 15 HA VAL 15 7.681 5.351 -1.833
99 HB VAL 15 HB VAL 15 5.223 6.240 -0.313
100 HG11 VAL 15 HG11 VAL 15 7.160 7.491 0.492
101 HG12 VAL 15 HG12 VAL 15 6.121 8.525 -0.491
102 HG13 VAL 15 HG13 VAL 15 7.615 7.879 -1.167
103 HG21 VAL 15 HG21 VAL 15 4.784 7.579 -2.320
104 HG22 VAL 15 HG22 VAL 15 4.870 5.860 -2.704
105 HG23 VAL 15 HG23 VAL 15 6.231 6.916 -3.081
106 H ASN 16 H ASN 16 6.153 4.133 1.127
107 HA ASN 16 HA ASN 16 8.119 5.196 2.890
108 HB2 ASN 16 HB2 ASN 16 6.338 2.756 3.252
109 HB3 ASN 16 HB3 ASN 16 7.259 3.554 4.529
110 HD21 ASN 16 HD21 ASN 16 6.701 6.230 3.616
111 HD22 ASN 16 HD22 ASN 16 5.034 6.535 3.983
112 H LYS 17 H LYS 17 7.595 1.719 2.429
113 HA LYS 17 HA LYS 17 9.762 1.132 0.862
114 HB2 LYS 17 HB2 LYS 17 11.451 0.219 2.365
115 HB3 LYS 17 HB3 LYS 17 11.193 1.933 2.703
116 HG2 LYS 17 HG2 LYS 17 9.985 -0.319 4.318
117 HG3 LYS 17 HG3 LYS 17 11.510 0.475 4.714
118 HD2 LYS 17 HD2 LYS 17 10.395 2.597 5.022
119 HD3 LYS 17 HD3 LYS 17 8.844 1.921 4.475
120 HE2 LYS 17 HE2 LYS 17 8.875 2.057 6.897
121 HE3 LYS 17 HE3 LYS 17 8.901 0.364 6.403
122 HZ1 LYS 17 HZ1 LYS 17 10.456 0.745 8.183
123 HZ2 LYS 17 HZ2 LYS 17 11.235 1.962 7.306
124 HZ3 LYS 17 HZ3 LYS 17 11.305 0.358 6.773
125 H VAL 18 H VAL 18 7.944 -0.228 0.116
126 HA VAL 18 HA VAL 18 8.160 -2.834 1.397
127 HB VAL 18 HB VAL 18 5.928 -3.293 1.796
128 HG11 VAL 18 HG11 VAL 18 6.659 -1.586 3.390
129 HG12 VAL 18 HG12 VAL 18 4.921 -1.520 3.098
130 HG13 VAL 18 HG13 VAL 18 5.986 -0.327 2.352
131 HG21 VAL 18 HG21 VAL 18 5.116 -2.716 -0.403
132 HG22 VAL 18 HG22 VAL 18 5.117 -1.002 0.018
133 HG23 VAL 18 HG23 VAL 18 4.023 -2.115 0.847
134 HA PRO 19 HA PRO 19 8.019 -4.127 -2.919
135 HB2 PRO 19 HB2 PRO 19 7.315 -6.756 -1.789
136 HB3 PRO 19 HB3 PRO 19 8.708 -6.307 -2.789
137 HG2 PRO 19 HG2 PRO 19 8.986 -6.896 -0.181
138 HG3 PRO 19 HG3 PRO 19 9.979 -5.664 -0.985
139 HD2 PRO 19 HD2 PRO 19 7.599 -5.288 0.807
140 HD3 PRO 19 HD3 PRO 19 9.121 -4.368 0.719
141 H PHE 20 H PHE 20 6.331 -4.884 -4.393
142 HA PHE 20 HA PHE 20 3.822 -3.877 -3.789
143 HB2 PHE 20 HB2 PHE 20 4.620 -4.305 -6.103
144 HB3 PHE 20 HB3 PHE 20 4.374 -6.030 -5.842
145 HD1 PHE 20 HD1 PHE 20 2.694 -2.778 -6.156
146 HD2 PHE 20 HD2 PHE 20 2.194 -6.998 -5.908
147 HE1 PHE 20 HE1 PHE 20 0.337 -2.536 -6.821
148 HE2 PHE 20 HE2 PHE 20 -0.161 -6.762 -6.578
149 HZ PHE 20 HZ PHE 20 -1.093 -4.528 -7.035
150 H ASP 21 H ASP 21 4.923 -7.249 -3.570
151 HA ASP 21 HA ASP 21 2.446 -8.417 -2.993
152 HB2 ASP 21 HB2 ASP 21 3.638 -10.312 -2.151
153 HB3 ASP 21 HB3 ASP 21 4.567 -9.680 -3.504
154 H GLN 22 H GLN 22 4.829 -6.915 -0.863
155 HA GLN 22 HA GLN 22 3.486 -7.448 1.565
156 HB2 GLN 22 HB2 GLN 22 5.852 -6.766 1.440
157 HB3 GLN 22 HB3 GLN 22 5.353 -5.167 0.897
158 HG2 GLN 22 HG2 GLN 22 5.865 -5.080 3.230
159 HG3 GLN 22 HG3 GLN 22 4.119 -4.878 3.015
160 HE21 GLN 22 HE21 GLN 22 2.738 -6.490 3.679
161 HE22 GLN 22 HE22 GLN 22 3.235 -7.782 4.718
162 H CYS 23 H CYS 23 3.353 -4.773 -0.738
163 HA CYS 23 HA CYS 23 1.615 -3.111 0.757
164 HB2 CYS 23 HB2 CYS 23 2.903 -2.397 -1.318
165 HB3 CYS 23 HB3 CYS 23 1.712 -3.286 -2.269
166 H TYR 24 H TYR 24 1.049 -5.693 -1.552
167 HA TYR 24 HA TYR 24 -1.749 -5.465 -1.683
168 HB2 TYR 24 HB2 TYR 24 -0.273 -6.787 -3.252
169 HB3 TYR 24 HB3 TYR 24 -0.134 -8.011 -1.979
170 HD1 TYR 24 HD1 TYR 24 -1.920 -9.527 -1.527
171 HD2 TYR 24 HD2 TYR 24 -2.437 -6.383 -4.341
172 HE1 TYR 24 HE1 TYR 24 -3.989 -10.580 -2.315
173 HE2 TYR 24 HE2 TYR 24 -4.512 -7.428 -5.139
174 HH TYR 24 HH TYR 24 -6.086 -9.908 -3.465
175 H GLN 25 H GLN 25 0.366 -6.930 0.691
176 HA GLN 25 HA GLN 25 -1.727 -8.575 1.807
177 HB2 GLN 25 HB2 GLN 25 1.095 -7.967 2.703
178 HB3 GLN 25 HB3 GLN 25 -0.011 -8.940 3.667
179 HG2 GLN 25 HG2 GLN 25 0.933 -9.585 0.863
180 HG3 GLN 25 HG3 GLN 25 1.449 -10.370 2.350
181 HE21 GLN 25 HE21 GLN 25 -1.254 -10.343 3.494
182 HE22 GLN 25 HE22 GLN 25 -2.135 -11.567 2.646
183 H MET 26 H MET 26 -0.437 -5.400 2.378
184 HA MET 26 HA MET 26 -1.878 -5.158 4.882
185 HB2 MET 26 HB2 MET 26 0.247 -4.096 4.889
186 HB3 MET 26 HB3 MET 26 -0.059 -3.322 3.344
187 HG2 MET 26 HG2 MET 26 -1.751 -1.890 4.388
188 HG3 MET 26 HG3 MET 26 -1.443 -2.666 5.942
189 HE1 MET 26 HE1 MET 26 1.393 -1.795 3.289
190 HE2 MET 26 HE2 MET 26 1.737 -0.127 3.736
191 HE3 MET 26 HE3 MET 26 0.173 -0.546 3.043
192 H CYS 27 H CYS 27 -1.984 -3.710 1.631
193 HA CYS 27 HA CYS 27 -4.193 -2.020 2.440
194 HB2 CYS 27 HB2 CYS 27 -2.914 -2.249 -0.299
195 HB3 CYS 27 HB3 CYS 27 -3.937 -0.934 0.310
196 H SER 28 H SER 28 -3.851 -5.021 0.645
197 HA SER 28 HA SER 28 -6.308 -4.750 -0.745
198 HB2 SER 28 HB2 SER 28 -4.627 -6.347 -1.544
199 HB3 SER 28 HB3 SER 28 -4.890 -7.341 -0.103
200 HG SER 28 HG SER 28 -6.670 -8.093 -0.943
201 HA PRO 29 HA PRO 29 -8.252 -7.377 2.925
202 HB2 PRO 29 HB2 PRO 29 -6.393 -6.433 5.057
203 HB3 PRO 29 HB3 PRO 29 -7.237 -7.989 4.905
204 HG2 PRO 29 HG2 PRO 29 -4.652 -7.867 4.355
205 HG3 PRO 29 HG3 PRO 29 -5.743 -8.792 3.288
206 HD2 PRO 29 HD2 PRO 29 -4.569 -6.048 2.878
207 HD3 PRO 29 HD3 PRO 29 -4.756 -7.382 1.715
208 H LEU 30 H LEU 30 -6.855 -4.232 2.939
209 HA LEU 30 HA LEU 30 -8.655 -2.970 4.757
210 HB2 LEU 30 HB2 LEU 30 -6.377 -2.113 3.918
211 HB3 LEU 30 HB3 LEU 30 -7.224 -1.671 2.426
212 HG LEU 30 HG LEU 30 -7.792 -0.541 5.188
213 HD11 LEU 30 HD11 LEU 30 -6.841 1.528 4.222
214 HD12 LEU 30 HD12 LEU 30 -6.386 0.615 2.783
215 HD13 LEU 30 HD13 LEU 30 -5.662 0.222 4.343
216 HD21 LEU 30 HD21 LEU 30 -9.783 -0.605 3.711
217 HD22 LEU 30 HD22 LEU 30 -8.886 0.325 2.509
218 HD23 LEU 30 HD23 LEU 30 -9.246 1.036 4.081
219 H GLU 31 H GLU 31 -8.444 -3.062 1.226
220 HA GLU 31 HA GLU 31 -11.043 -1.844 0.926
221 HB2 GLU 31 HB2 GLU 31 -8.967 -1.566 -0.608
222 HB3 GLU 31 HB3 GLU 31 -9.468 -3.114 -1.301
223 HG2 GLU 31 HG2 GLU 31 -11.220 -0.647 -1.199
224 HG3 GLU 31 HG3 GLU 31 -10.232 -1.125 -2.586
225 H ARG 32 H ARG 32 -9.614 -4.991 0.071
226 HA ARG 32 HA ARG 32 -12.319 -6.115 -0.007
227 HB2 ARG 32 HB2 ARG 32 -11.501 -5.439 -2.330
228 HB3 ARG 32 HB3 ARG 32 -10.229 -6.650 -2.134
229 HG2 ARG 32 HG2 ARG 32 -11.988 -7.607 -3.465
230 HG3 ARG 32 HG3 ARG 32 -11.980 -8.399 -1.889
231 HD2 ARG 32 HD2 ARG 32 -14.219 -7.597 -3.018
232 HD3 ARG 32 HD3 ARG 32 -13.999 -7.502 -1.275
233 HE ARG 32 HE ARG 32 -13.115 -5.092 -2.373
234 HH11 ARG 32 HH11 ARG 32 -16.111 -6.888 -2.133
235 HH12 ARG 32 HH12 ARG 32 -17.101 -5.465 -2.084
236 HH21 ARG 32 HH21 ARG 32 -14.401 -3.221 -2.292
237 HH22 ARG 32 HH22 ARG 32 -16.132 -3.377 -2.181
238 H SER 33 H SER 33 -11.949 -7.257 1.884
239 HA SER 33 HA SER 33 -9.697 -9.125 1.920
240 HB2 SER 33 HB2 SER 33 -10.639 -9.563 4.313
241 HB3 SER 33 HB3 SER 33 -9.815 -8.035 4.006
242 HG SER 33 HG SER 33 -12.531 -8.561 4.427
Start of MODEL 42
1 HA ALA 1 HA ALA 1 -14.566 -0.785 0.645
2 HB1 ALA 1 HB1 ALA 1 -17.216 0.635 0.863
3 HB2 ALA 1 HB2 ALA 1 -16.943 -0.930 0.099
4 HB3 ALA 1 HB3 ALA 1 -16.216 0.523 -0.585
5 H SER 2 H SER 2 -13.205 0.837 0.154
6 HA SER 2 HA SER 2 -13.501 3.511 1.146
7 HB2 SER 2 HB2 SER 2 -12.665 2.162 3.187
8 HB3 SER 2 HB3 SER 2 -11.149 1.990 2.301
9 HG SER 2 HG SER 2 -11.673 3.927 3.835
10 HA PRO 3 HA PRO 3 -11.110 2.491 -2.785
11 HB2 PRO 3 HB2 PRO 3 -12.513 4.982 -3.608
12 HB3 PRO 3 HB3 PRO 3 -12.291 3.457 -4.494
13 HG2 PRO 3 HG2 PRO 3 -14.645 4.069 -3.423
14 HG3 PRO 3 HG3 PRO 3 -14.023 2.404 -3.385
15 HD2 PRO 3 HD2 PRO 3 -14.128 4.424 -1.154
16 HD3 PRO 3 HD3 PRO 3 -14.373 2.650 -1.106
17 H GLN 4 H GLN 4 -11.573 5.679 -1.264
18 HA GLN 4 HA GLN 4 -9.298 6.811 -2.577
19 HB2 GLN 4 HB2 GLN 4 -10.916 7.809 -0.231
20 HB3 GLN 4 HB3 GLN 4 -9.608 8.713 -0.981
21 HG2 GLN 4 HG2 GLN 4 -12.164 7.849 -2.337
22 HG3 GLN 4 HG3 GLN 4 -11.775 9.479 -1.794
23 HE21 GLN 4 HE21 GLN 4 -8.974 9.256 -2.659
24 HE22 GLN 4 HE22 GLN 4 -9.006 9.392 -4.385
25 H GLN 5 H GLN 5 -9.916 5.575 0.666
26 HA GLN 5 HA GLN 5 -7.345 6.184 1.678
27 HB2 GLN 5 HB2 GLN 5 -9.358 4.128 2.583
28 HB3 GLN 5 HB3 GLN 5 -7.880 4.505 3.455
29 HG2 GLN 5 HG2 GLN 5 -10.135 6.434 2.898
30 HG3 GLN 5 HG3 GLN 5 -9.817 5.632 4.432
31 HE21 GLN 5 HE21 GLN 5 -6.898 5.933 4.116
32 HE22 GLN 5 HE22 GLN 5 -6.573 7.600 4.451
33 H ALA 6 H ALA 6 -8.698 3.452 -0.024
34 HA ALA 6 HA ALA 6 -6.526 1.680 0.257
35 HB1 ALA 6 HB1 ALA 6 -8.466 1.899 -2.038
36 HB2 ALA 6 HB2 ALA 6 -8.706 0.947 -0.573
37 HB3 ALA 6 HB3 ALA 6 -7.412 0.530 -1.699
38 H LYS 7 H LYS 7 -7.208 4.235 -2.074
39 HA LYS 7 HA LYS 7 -5.011 3.693 -3.771
40 HB2 LYS 7 HB2 LYS 7 -6.942 5.089 -4.454
41 HB3 LYS 7 HB3 LYS 7 -6.442 6.325 -3.309
42 HG2 LYS 7 HG2 LYS 7 -5.802 6.863 -5.613
43 HG3 LYS 7 HG3 LYS 7 -4.394 6.707 -4.533
44 HD2 LYS 7 HD2 LYS 7 -4.043 4.401 -5.362
45 HD3 LYS 7 HD3 LYS 7 -5.415 4.588 -6.459
46 HE2 LYS 7 HE2 LYS 7 -3.215 4.934 -7.576
47 HE3 LYS 7 HE3 LYS 7 -4.264 6.347 -7.657
48 HZ1 LYS 7 HZ1 LYS 7 -1.946 6.881 -7.100
49 HZ2 LYS 7 HZ2 LYS 7 -2.090 5.989 -5.672
50 HZ3 LYS 7 HZ3 LYS 7 -3.030 7.379 -5.901
51 H TYR 8 H TYR 8 -5.401 5.610 -0.863
52 HA TYR 8 HA TYR 8 -2.840 6.814 -0.870
53 HB2 TYR 8 HB2 TYR 8 -4.715 7.599 0.556
54 HB3 TYR 8 HB3 TYR 8 -4.607 6.106 1.488
55 HD1 TYR 8 HD1 TYR 8 -2.947 5.809 3.166
56 HD2 TYR 8 HD2 TYR 8 -2.895 9.268 0.699
57 HE1 TYR 8 HE1 TYR 8 -1.306 6.841 4.670
58 HE2 TYR 8 HE2 TYR 8 -1.255 10.322 2.197
59 HH TYR 8 HH TYR 8 -0.466 10.163 4.478
60 H CYS 9 H CYS 9 -4.094 3.803 0.486
61 HA CYS 9 HA CYS 9 -1.803 3.006 1.897
62 HB2 CYS 9 HB2 CYS 9 -4.089 1.969 2.095
63 HB3 CYS 9 HB3 CYS 9 -3.806 1.164 0.545
64 H TYR 10 H TYR 10 -2.849 2.155 -1.403
65 HA TYR 10 HA TYR 10 -0.526 0.609 -1.958
66 HB2 TYR 10 HB2 TYR 10 -2.716 1.758 -3.692
67 HB3 TYR 10 HB3 TYR 10 -1.325 0.927 -4.392
68 HD1 TYR 10 HD1 TYR 10 -0.888 -1.446 -3.747
69 HD2 TYR 10 HD2 TYR 10 -4.533 0.527 -2.792
70 HE1 TYR 10 HE1 TYR 10 -1.969 -3.618 -3.428
71 HE2 TYR 10 HE2 TYR 10 -5.626 -1.647 -2.463
72 HH TYR 10 HH TYR 10 -5.366 -3.969 -3.083
73 H GLU 11 H GLU 11 -1.217 4.007 -2.186
74 HA GLU 11 HA GLU 11 0.926 4.536 -4.007
75 HB2 GLU 11 HB2 GLU 11 -1.096 6.000 -3.826
76 HB3 GLU 11 HB3 GLU 11 -0.531 6.511 -2.221
77 HG2 GLU 11 HG2 GLU 11 1.505 7.418 -3.248
78 HG3 GLU 11 HG3 GLU 11 0.896 6.938 -4.848
79 H GLN 12 H GLN 12 0.475 4.925 -0.482
80 HA GLN 12 HA GLN 12 3.096 6.084 -0.242
81 HB2 GLN 12 HB2 GLN 12 1.055 5.332 1.855
82 HB3 GLN 12 HB3 GLN 12 2.551 6.196 2.175
83 HG2 GLN 12 HG2 GLN 12 0.668 7.252 0.137
84 HG3 GLN 12 HG3 GLN 12 0.315 7.478 1.843
85 HE21 GLN 12 HE21 GLN 12 3.595 7.373 0.716
86 HE22 GLN 12 HE22 GLN 12 3.928 9.059 0.926
87 H CYS 13 H CYS 13 1.780 2.898 -0.015
88 HA CYS 13 HA CYS 13 3.432 1.779 1.934
89 HB2 CYS 13 HB2 CYS 13 2.926 -0.394 0.892
90 HB3 CYS 13 HB3 CYS 13 1.473 0.609 0.982
91 H ASN 14 H ASN 14 3.971 1.818 -1.604
92 HA ASN 14 HA ASN 14 6.619 0.767 -1.342
93 HB2 ASN 14 HB2 ASN 14 6.856 1.252 -3.736
94 HB3 ASN 14 HB3 ASN 14 5.323 0.462 -3.406
95 HD21 ASN 14 HD21 ASN 14 6.852 3.453 -4.425
96 HD22 ASN 14 HD22 ASN 14 5.389 4.226 -4.944
97 H VAL 15 H VAL 15 5.274 3.981 -1.335
98 HA VAL 15 HA VAL 15 7.666 5.402 -1.829
99 HB VAL 15 HB VAL 15 5.170 6.245 -0.348
100 HG11 VAL 15 HG11 VAL 15 6.002 8.554 -0.561
101 HG12 VAL 15 HG12 VAL 15 7.522 7.937 -1.206
102 HG13 VAL 15 HG13 VAL 15 7.056 7.569 0.455
103 HG21 VAL 15 HG21 VAL 15 4.720 7.538 -2.387
104 HG22 VAL 15 HG22 VAL 15 4.848 5.813 -2.731
105 HG23 VAL 15 HG23 VAL 15 6.189 6.891 -3.118
106 H ASN 16 H ASN 16 6.107 4.275 1.162
107 HA ASN 16 HA ASN 16 8.067 5.353 2.915
108 HB2 ASN 16 HB2 ASN 16 6.348 2.870 3.294
109 HB3 ASN 16 HB3 ASN 16 7.210 3.740 4.565
110 HD21 ASN 16 HD21 ASN 16 6.558 6.372 3.559
111 HD22 ASN 16 HD22 ASN 16 4.875 6.613 3.889
112 H LYS 17 H LYS 17 7.590 1.869 2.485
113 HA LYS 17 HA LYS 17 9.656 1.319 0.773
114 HB2 LYS 17 HB2 LYS 17 10.733 1.947 3.302
115 HB3 LYS 17 HB3 LYS 17 10.825 0.185 3.145
116 HG2 LYS 17 HG2 LYS 17 11.976 0.475 0.972
117 HG3 LYS 17 HG3 LYS 17 11.946 2.228 1.217
118 HD2 LYS 17 HD2 LYS 17 13.179 1.805 3.413
119 HD3 LYS 17 HD3 LYS 17 13.391 0.134 2.845
120 HE2 LYS 17 HE2 LYS 17 15.363 1.430 2.303
121 HE3 LYS 17 HE3 LYS 17 14.515 0.988 0.822
122 HZ1 LYS 17 HZ1 LYS 17 13.576 3.195 0.720
123 HZ2 LYS 17 HZ2 LYS 17 15.258 3.302 0.815
124 HZ3 LYS 17 HZ3 LYS 17 14.316 3.623 2.178
125 H VAL 18 H VAL 18 7.802 -0.090 0.178
126 HA VAL 18 HA VAL 18 8.191 -2.666 1.489
127 HB VAL 18 HB VAL 18 6.012 -3.169 2.023
128 HG11 VAL 18 HG11 VAL 18 6.689 -1.295 3.448
129 HG12 VAL 18 HG12 VAL 18 4.942 -1.357 3.212
130 HG13 VAL 18 HG13 VAL 18 5.909 -0.168 2.335
131 HG21 VAL 18 HG21 VAL 18 5.102 -2.834 -0.183
132 HG22 VAL 18 HG22 VAL 18 5.035 -1.086 0.076
133 HG23 VAL 18 HG23 VAL 18 4.016 -2.163 1.039
134 HA PRO 19 HA PRO 19 8.038 -4.064 -2.783
135 HB2 PRO 19 HB2 PRO 19 7.222 -6.654 -1.634
136 HB3 PRO 19 HB3 PRO 19 8.647 -6.263 -2.612
137 HG2 PRO 19 HG2 PRO 19 8.856 -6.820 0.008
138 HG3 PRO 19 HG3 PRO 19 9.903 -5.633 -0.793
139 HD2 PRO 19 HD2 PRO 19 7.513 -5.159 0.959
140 HD3 PRO 19 HD3 PRO 19 9.058 -4.279 0.868
141 H PHE 20 H PHE 20 6.383 -4.719 -4.315
142 HA PHE 20 HA PHE 20 3.837 -3.740 -3.740
143 HB2 PHE 20 HB2 PHE 20 4.738 -4.033 -6.045
144 HB3 PHE 20 HB3 PHE 20 4.484 -5.767 -5.890
145 HD1 PHE 20 HD1 PHE 20 2.273 -6.721 -6.007
146 HD2 PHE 20 HD2 PHE 20 2.847 -2.509 -6.203
147 HE1 PHE 20 HE1 PHE 20 -0.044 -6.445 -6.782
148 HE2 PHE 20 HE2 PHE 20 0.527 -2.227 -6.979
149 HZ PHE 20 HZ PHE 20 -0.920 -4.197 -7.267
150 H ASP 21 H ASP 21 4.988 -7.090 -3.730
151 HA ASP 21 HA ASP 21 2.526 -8.340 -3.268
152 HB2 ASP 21 HB2 ASP 21 3.879 -10.229 -2.380
153 HB3 ASP 21 HB3 ASP 21 4.458 -9.642 -3.935
154 H GLN 22 H GLN 22 4.838 -6.893 -1.029
155 HA GLN 22 HA GLN 22 3.443 -7.656 1.330
156 HB2 GLN 22 HB2 GLN 22 5.809 -6.989 1.372
157 HB3 GLN 22 HB3 GLN 22 5.353 -5.353 0.895
158 HG2 GLN 22 HG2 GLN 22 5.710 -5.351 3.238
159 HG3 GLN 22 HG3 GLN 22 3.966 -5.219 2.961
160 HE21 GLN 22 HE21 GLN 22 6.537 -7.176 4.181
161 HE22 GLN 22 HE22 GLN 22 5.541 -8.379 4.930
162 H CYS 23 H CYS 23 3.396 -4.817 -0.779
163 HA CYS 23 HA CYS 23 1.685 -3.207 0.771
164 HB2 CYS 23 HB2 CYS 23 2.940 -2.432 -1.292
165 HB3 CYS 23 HB3 CYS 23 1.740 -3.289 -2.262
166 H TYR 24 H TYR 24 1.002 -5.656 -1.669
167 HA TYR 24 HA TYR 24 -1.780 -5.435 -1.727
168 HB2 TYR 24 HB2 TYR 24 -0.339 -6.821 -3.284
169 HB3 TYR 24 HB3 TYR 24 -0.210 -8.018 -1.984
170 HD1 TYR 24 HD1 TYR 24 -2.259 -9.217 -1.221
171 HD2 TYR 24 HD2 TYR 24 -2.277 -6.683 -4.630
172 HE1 TYR 24 HE1 TYR 24 -4.345 -10.262 -1.971
173 HE2 TYR 24 HE2 TYR 24 -4.367 -7.719 -5.394
174 HH TYR 24 HH TYR 24 -5.593 -9.826 -5.105
175 H GLN 25 H GLN 25 0.339 -7.005 0.597
176 HA GLN 25 HA GLN 25 -1.760 -8.606 1.726
177 HB2 GLN 25 HB2 GLN 25 1.094 -8.072 2.508
178 HB3 GLN 25 HB3 GLN 25 0.006 -8.915 3.604
179 HG2 GLN 25 HG2 GLN 25 0.709 -9.798 0.794
180 HG3 GLN 25 HG3 GLN 25 1.299 -10.509 2.296
181 HE21 GLN 25 HE21 GLN 25 -0.104 -11.733 3.563
182 HE22 GLN 25 HE22 GLN 25 -1.590 -12.364 2.938
183 H MET 26 H MET 26 -0.370 -5.474 2.430
184 HA MET 26 HA MET 26 -1.739 -5.287 4.959
185 HB2 MET 26 HB2 MET 26 0.346 -4.127 4.820
186 HB3 MET 26 HB3 MET 26 -0.129 -3.328 3.330
187 HG2 MET 26 HG2 MET 26 -1.827 -2.049 4.569
188 HG3 MET 26 HG3 MET 26 -1.304 -2.827 6.063
189 HE1 MET 26 HE1 MET 26 -0.090 -0.618 3.036
190 HE2 MET 26 HE2 MET 26 1.248 -1.751 3.212
191 HE3 MET 26 HE3 MET 26 1.475 -0.054 3.616
192 H CYS 27 H CYS 27 -2.144 -3.920 1.703
193 HA CYS 27 HA CYS 27 -4.344 -2.281 2.586
194 HB2 CYS 27 HB2 CYS 27 -3.452 -2.775 -0.269
195 HB3 CYS 27 HB3 CYS 27 -4.409 -1.417 0.351
196 H SER 28 H SER 28 -4.114 -5.510 1.362
197 HA SER 28 HA SER 28 -6.530 -5.627 -0.036
198 HB2 SER 28 HB2 SER 28 -6.429 -8.149 0.528
199 HB3 SER 28 HB3 SER 28 -5.147 -7.440 -0.463
200 HG SER 28 HG SER 28 -3.757 -7.616 1.164
201 HA PRO 29 HA PRO 29 -8.763 -7.111 4.070
202 HB2 PRO 29 HB2 PRO 29 -7.097 -5.625 6.038
203 HB3 PRO 29 HB3 PRO 29 -7.894 -7.204 6.200
204 HG2 PRO 29 HG2 PRO 29 -5.267 -7.095 5.860
205 HG3 PRO 29 HG3 PRO 29 -6.233 -8.318 4.992
206 HD2 PRO 29 HD2 PRO 29 -5.097 -5.721 3.967
207 HD3 PRO 29 HD3 PRO 29 -5.142 -7.322 3.184
208 H LEU 30 H LEU 30 -7.354 -4.087 3.334
209 HA LEU 30 HA LEU 30 -9.388 -2.495 4.641
210 HB2 LEU 30 HB2 LEU 30 -7.247 -1.483 4.655
211 HB3 LEU 30 HB3 LEU 30 -6.975 -1.872 2.947
212 HG LEU 30 HG LEU 30 -8.660 -0.214 2.289
213 HD11 LEU 30 HD11 LEU 30 -10.086 -0.285 4.257
214 HD12 LEU 30 HD12 LEU 30 -9.559 1.362 3.917
215 HD13 LEU 30 HD13 LEU 30 -8.811 0.453 5.227
216 HD21 LEU 30 HD21 LEU 30 -7.367 1.783 2.876
217 HD22 LEU 30 HD22 LEU 30 -6.316 0.437 2.428
218 HD23 LEU 30 HD23 LEU 30 -6.524 0.870 4.127
219 H GLU 31 H GLU 31 -8.292 -3.044 1.314
220 HA GLU 31 HA GLU 31 -10.487 -1.598 0.198
221 HB2 GLU 31 HB2 GLU 31 -8.194 -1.836 -0.828
222 HB3 GLU 31 HB3 GLU 31 -8.623 -3.503 -1.235
223 HG2 GLU 31 HG2 GLU 31 -10.389 -1.276 -2.178
224 HG3 GLU 31 HG3 GLU 31 -8.859 -1.587 -3.008
225 H ARG 32 H ARG 32 -9.815 -4.994 0.807
226 HA ARG 32 HA ARG 32 -12.463 -5.652 -0.320
227 HB2 ARG 32 HB2 ARG 32 -10.173 -7.569 0.240
228 HB3 ARG 32 HB3 ARG 32 -11.717 -7.984 -0.502
229 HG2 ARG 32 HG2 ARG 32 -9.522 -6.268 -1.697
230 HG3 ARG 32 HG3 ARG 32 -10.002 -7.881 -2.210
231 HD2 ARG 32 HD2 ARG 32 -11.349 -5.258 -2.654
232 HD3 ARG 32 HD3 ARG 32 -11.020 -6.562 -3.784
233 HE ARG 32 HE ARG 32 -12.825 -7.810 -2.506
234 HH11 ARG 32 HH11 ARG 32 -12.763 -4.315 -2.831
235 HH12 ARG 32 HH12 ARG 32 -14.492 -4.161 -2.726
236 HH21 ARG 32 HH21 ARG 32 -15.101 -7.587 -2.367
237 HH22 ARG 32 HH22 ARG 32 -15.818 -6.007 -2.450
238 H SER 33 H SER 33 -13.112 -4.649 1.818
239 HA SER 33 HA SER 33 -12.882 -6.556 4.031
240 HB2 SER 33 HB2 SER 33 -14.029 -4.727 5.351
241 HB3 SER 33 HB3 SER 33 -12.470 -4.255 4.671
242 HG SER 33 HG SER 33 -14.725 -3.786 3.106
Start of MODEL 43
1 HA ALA 1 HA ALA 1 -16.445 2.366 0.076
2 HB1 ALA 1 HB1 ALA 1 -18.872 2.682 0.088
3 HB2 ALA 1 HB2 ALA 1 -18.081 3.777 -1.043
4 HB3 ALA 1 HB3 ALA 1 -18.647 4.378 0.514
5 H SER 2 H SER 2 -14.426 3.177 -0.035
6 HA SER 2 HA SER 2 -14.096 6.009 -0.403
7 HB2 SER 2 HB2 SER 2 -14.041 5.815 2.113
8 HB3 SER 2 HB3 SER 2 -12.653 4.741 1.951
9 HG SER 2 HG SER 2 -12.569 7.319 2.125
10 HA PRO 3 HA PRO 3 -11.155 3.314 -2.821
11 HB2 PRO 3 HB2 PRO 3 -11.667 5.549 -4.717
12 HB3 PRO 3 HB3 PRO 3 -11.590 3.800 -5.023
13 HG2 PRO 3 HG2 PRO 3 -13.929 5.070 -5.008
14 HG3 PRO 3 HG3 PRO 3 -13.761 3.442 -4.316
15 HD2 PRO 3 HD2 PRO 3 -13.960 6.084 -2.881
16 HD3 PRO 3 HD3 PRO 3 -14.651 4.491 -2.442
17 H GLN 4 H GLN 4 -11.441 6.605 -1.862
18 HA GLN 4 HA GLN 4 -8.937 7.632 -2.531
19 HB2 GLN 4 HB2 GLN 4 -10.777 9.037 -1.793
20 HB3 GLN 4 HB3 GLN 4 -10.791 8.247 -0.225
21 HG2 GLN 4 HG2 GLN 4 -8.508 9.144 0.183
22 HG3 GLN 4 HG3 GLN 4 -8.633 10.041 -1.331
23 HE21 GLN 4 HE21 GLN 4 -11.341 9.506 0.808
24 HE22 GLN 4 HE22 GLN 4 -11.513 11.149 1.318
25 H GLN 5 H GLN 5 -10.037 5.838 0.312
26 HA GLN 5 HA GLN 5 -7.608 6.049 1.759
27 HB2 GLN 5 HB2 GLN 5 -9.890 4.083 1.943
28 HB3 GLN 5 HB3 GLN 5 -8.479 3.979 2.980
29 HG2 GLN 5 HG2 GLN 5 -8.961 6.222 3.851
30 HG3 GLN 5 HG3 GLN 5 -10.400 6.301 2.833
31 HE21 GLN 5 HE21 GLN 5 -10.171 6.380 5.784
32 HE22 GLN 5 HE22 GLN 5 -11.150 5.071 6.355
33 H ALA 6 H ALA 6 -8.927 3.547 -0.345
34 HA ALA 6 HA ALA 6 -6.781 1.759 -0.175
35 HB1 ALA 6 HB1 ALA 6 -8.667 2.217 -2.479
36 HB2 ALA 6 HB2 ALA 6 -8.901 1.086 -1.144
37 HB3 ALA 6 HB3 ALA 6 -7.593 0.835 -2.303
38 H LYS 7 H LYS 7 -7.362 4.531 -2.262
39 HA LYS 7 HA LYS 7 -5.123 4.183 -3.940
40 HB2 LYS 7 HB2 LYS 7 -6.944 5.673 -4.576
41 HB3 LYS 7 HB3 LYS 7 -6.634 6.699 -3.184
42 HG2 LYS 7 HG2 LYS 7 -5.755 7.758 -5.139
43 HG3 LYS 7 HG3 LYS 7 -4.402 7.231 -4.104
44 HD2 LYS 7 HD2 LYS 7 -4.384 5.102 -5.563
45 HD3 LYS 7 HD3 LYS 7 -5.374 6.023 -6.702
46 HE2 LYS 7 HE2 LYS 7 -3.026 6.197 -7.325
47 HE3 LYS 7 HE3 LYS 7 -3.611 7.763 -6.763
48 HZ1 LYS 7 HZ1 LYS 7 -2.574 7.385 -4.643
49 HZ2 LYS 7 HZ2 LYS 7 -1.417 7.182 -5.861
50 HZ3 LYS 7 HZ3 LYS 7 -2.094 5.831 -5.101
51 H TYR 8 H TYR 8 -5.540 5.910 -0.879
52 HA TYR 8 HA TYR 8 -2.951 7.062 -0.827
53 HB2 TYR 8 HB2 TYR 8 -4.884 7.835 0.568
54 HB3 TYR 8 HB3 TYR 8 -4.715 6.368 1.532
55 HD1 TYR 8 HD1 TYR 8 -2.986 9.486 0.545
56 HD2 TYR 8 HD2 TYR 8 -3.137 6.235 3.283
57 HE1 TYR 8 HE1 TYR 8 -1.348 10.627 1.980
58 HE2 TYR 8 HE2 TYR 8 -1.497 7.364 4.726
59 HH TYR 8 HH TYR 8 0.288 9.079 4.503
60 H CYS 9 H CYS 9 -4.310 4.077 0.396
61 HA CYS 9 HA CYS 9 -2.171 3.183 1.955
62 HB2 CYS 9 HB2 CYS 9 -4.358 2.158 2.092
63 HB3 CYS 9 HB3 CYS 9 -4.267 1.636 0.408
64 H TYR 10 H TYR 10 -2.939 2.285 -1.425
65 HA TYR 10 HA TYR 10 -0.542 0.773 -1.727
66 HB2 TYR 10 HB2 TYR 10 -2.528 1.833 -3.753
67 HB3 TYR 10 HB3 TYR 10 -1.143 0.825 -4.181
68 HD1 TYR 10 HD1 TYR 10 -4.536 0.856 -3.017
69 HD2 TYR 10 HD2 TYR 10 -0.982 -1.476 -3.133
70 HE1 TYR 10 HE1 TYR 10 -5.846 -1.165 -2.570
71 HE2 TYR 10 HE2 TYR 10 -2.284 -3.497 -2.690
72 HH TYR 10 HH TYR 10 -5.672 -3.590 -2.925
73 H GLU 11 H GLU 11 -1.343 4.114 -2.170
74 HA GLU 11 HA GLU 11 0.817 4.856 -3.820
75 HB2 GLU 11 HB2 GLU 11 -1.157 6.315 -3.333
76 HB3 GLU 11 HB3 GLU 11 -0.536 6.508 -1.680
77 HG2 GLU 11 HG2 GLU 11 -0.018 8.423 -3.123
78 HG3 GLU 11 HG3 GLU 11 1.430 7.615 -2.481
79 H GLN 12 H GLN 12 0.423 5.185 -0.288
80 HA GLN 12 HA GLN 12 3.114 6.089 -0.030
81 HB2 GLN 12 HB2 GLN 12 1.051 5.374 2.058
82 HB3 GLN 12 HB3 GLN 12 2.604 6.109 2.411
83 HG2 GLN 12 HG2 GLN 12 0.790 7.412 0.456
84 HG3 GLN 12 HG3 GLN 12 0.460 7.556 2.176
85 HE21 GLN 12 HE21 GLN 12 3.712 7.326 0.920
86 HE22 GLN 12 HE22 GLN 12 4.158 8.960 1.274
87 H CYS 13 H CYS 13 1.637 2.944 0.147
88 HA CYS 13 HA CYS 13 3.296 1.765 2.066
89 HB2 CYS 13 HB2 CYS 13 2.636 -0.398 1.131
90 HB3 CYS 13 HB3 CYS 13 1.238 0.681 1.192
91 H ASN 14 H ASN 14 3.714 1.551 -1.505
92 HA ASN 14 HA ASN 14 6.352 0.514 -1.178
93 HB2 ASN 14 HB2 ASN 14 6.616 0.636 -3.562
94 HB3 ASN 14 HB3 ASN 14 5.000 0.051 -3.217
95 HD21 ASN 14 HD21 ASN 14 3.876 2.680 -2.645
96 HD22 ASN 14 HD22 ASN 14 3.798 3.512 -4.155
97 H VAL 15 H VAL 15 5.093 3.749 -1.429
98 HA VAL 15 HA VAL 15 7.515 5.049 -2.063
99 HB VAL 15 HB VAL 15 5.078 6.085 -0.603
100 HG11 VAL 15 HG11 VAL 15 7.441 7.644 -1.663
101 HG12 VAL 15 HG12 VAL 15 7.040 7.403 0.036
102 HG13 VAL 15 HG13 VAL 15 5.962 8.338 -1.000
103 HG21 VAL 15 HG21 VAL 15 4.600 7.215 -2.720
104 HG22 VAL 15 HG22 VAL 15 4.702 5.470 -2.946
105 HG23 VAL 15 HG23 VAL 15 6.045 6.501 -3.435
106 H ASN 16 H ASN 16 6.055 4.079 1.030
107 HA ASN 16 HA ASN 16 8.031 5.285 2.671
108 HB2 ASN 16 HB2 ASN 16 6.378 2.789 3.212
109 HB3 ASN 16 HB3 ASN 16 7.314 3.682 4.415
110 HD21 ASN 16 HD21 ASN 16 6.549 6.271 3.200
111 HD22 ASN 16 HD22 ASN 16 4.912 6.533 3.707
112 H LYS 17 H LYS 17 7.690 1.771 2.364
113 HA LYS 17 HA LYS 17 9.748 1.297 0.612
114 HB2 LYS 17 HB2 LYS 17 11.501 0.322 2.116
115 HB3 LYS 17 HB3 LYS 17 11.379 2.086 2.166
116 HG2 LYS 17 HG2 LYS 17 10.124 1.937 4.255
117 HG3 LYS 17 HG3 LYS 17 10.223 0.174 4.195
118 HD2 LYS 17 HD2 LYS 17 12.743 0.409 4.173
119 HD3 LYS 17 HD3 LYS 17 12.497 2.145 4.472
120 HE2 LYS 17 HE2 LYS 17 12.931 0.991 6.562
121 HE3 LYS 17 HE3 LYS 17 11.282 1.608 6.536
122 HZ1 LYS 17 HZ1 LYS 17 11.387 -0.639 7.414
123 HZ2 LYS 17 HZ2 LYS 17 12.072 -1.198 5.973
124 HZ3 LYS 17 HZ3 LYS 17 10.492 -0.600 5.981
125 H VAL 18 H VAL 18 7.963 -0.151 0.015
126 HA VAL 18 HA VAL 18 8.360 -2.739 1.291
127 HB VAL 18 HB VAL 18 6.173 -3.258 1.843
128 HG11 VAL 18 HG11 VAL 18 6.227 -0.287 2.361
129 HG12 VAL 18 HG12 VAL 18 6.934 -1.539 3.383
130 HG13 VAL 18 HG13 VAL 18 5.187 -1.464 3.163
131 HG21 VAL 18 HG21 VAL 18 5.185 -1.020 0.085
132 HG22 VAL 18 HG22 VAL 18 4.172 -2.137 1.006
133 HG23 VAL 18 HG23 VAL 18 5.195 -2.744 -0.302
134 HA PRO 19 HA PRO 19 7.911 -4.077 -2.996
135 HB2 PRO 19 HB2 PRO 19 7.176 -6.680 -1.827
136 HB3 PRO 19 HB3 PRO 19 8.534 -6.277 -2.894
137 HG2 PRO 19 HG2 PRO 19 8.907 -6.878 -0.297
138 HG3 PRO 19 HG3 PRO 19 9.915 -5.695 -1.152
139 HD2 PRO 19 HD2 PRO 19 7.653 -5.210 0.760
140 HD3 PRO 19 HD3 PRO 19 9.200 -4.349 0.576
141 H PHE 20 H PHE 20 6.125 -4.747 -4.377
142 HA PHE 20 HA PHE 20 3.651 -3.738 -3.562
143 HB2 PHE 20 HB2 PHE 20 4.369 -4.011 -5.951
144 HB3 PHE 20 HB3 PHE 20 4.050 -5.736 -5.797
145 HD1 PHE 20 HD1 PHE 20 1.819 -6.593 -5.818
146 HD2 PHE 20 HD2 PHE 20 2.531 -2.396 -5.823
147 HE1 PHE 20 HE1 PHE 20 -0.545 -6.193 -6.380
148 HE2 PHE 20 HE2 PHE 20 0.169 -1.990 -6.382
149 HZ PHE 20 HZ PHE 20 -1.372 -3.892 -6.659
150 H ASP 21 H ASP 21 4.820 -7.079 -3.617
151 HA ASP 21 HA ASP 21 2.427 -8.360 -2.959
152 HB2 ASP 21 HB2 ASP 21 3.877 -10.160 -1.985
153 HB3 ASP 21 HB3 ASP 21 4.311 -9.696 -3.626
154 H GLN 22 H GLN 22 4.929 -7.020 -0.820
155 HA GLN 22 HA GLN 22 3.698 -7.578 1.632
156 HB2 GLN 22 HB2 GLN 22 6.007 -6.821 1.483
157 HB3 GLN 22 HB3 GLN 22 5.486 -5.269 0.833
158 HG2 GLN 22 HG2 GLN 22 5.987 -4.871 3.078
159 HG3 GLN 22 HG3 GLN 22 4.222 -4.945 2.999
160 HE21 GLN 22 HE21 GLN 22 6.059 -5.365 5.249
161 HE22 GLN 22 HE22 GLN 22 5.714 -6.954 5.845
162 H CYS 23 H CYS 23 3.338 -4.860 -0.600
163 HA CYS 23 HA CYS 23 1.646 -3.291 1.038
164 HB2 CYS 23 HB2 CYS 23 2.782 -2.465 -1.073
165 HB3 CYS 23 HB3 CYS 23 1.584 -3.377 -1.995
166 H TYR 24 H TYR 24 0.920 -5.744 -1.430
167 HA TYR 24 HA TYR 24 -1.881 -5.568 -1.192
168 HB2 TYR 24 HB2 TYR 24 -0.739 -6.701 -3.089
169 HB3 TYR 24 HB3 TYR 24 -0.243 -7.996 -1.987
170 HD1 TYR 24 HD1 TYR 24 -3.142 -6.396 -3.617
171 HD2 TYR 24 HD2 TYR 24 -1.763 -9.715 -1.348
172 HE1 TYR 24 HE1 TYR 24 -5.257 -7.563 -4.047
173 HE2 TYR 24 HE2 TYR 24 -3.873 -10.892 -1.773
174 HH TYR 24 HH TYR 24 -6.099 -9.887 -4.119
175 H GLN 25 H GLN 25 0.527 -7.321 0.678
176 HA GLN 25 HA GLN 25 -1.278 -9.169 1.853
177 HB2 GLN 25 HB2 GLN 25 1.425 -8.160 2.774
178 HB3 GLN 25 HB3 GLN 25 0.516 -9.367 3.666
179 HG2 GLN 25 HG2 GLN 25 0.581 -10.834 1.641
180 HG3 GLN 25 HG3 GLN 25 1.627 -9.649 0.865
181 HE21 GLN 25 HE21 GLN 25 2.136 -12.423 1.570
182 HE22 GLN 25 HE22 GLN 25 3.526 -12.401 2.604
183 H MET 26 H MET 26 -0.166 -5.966 2.835
184 HA MET 26 HA MET 26 -1.776 -6.095 5.251
185 HB2 MET 26 HB2 MET 26 -0.089 -3.880 4.091
186 HB3 MET 26 HB3 MET 26 -0.928 -3.776 5.628
187 HG2 MET 26 HG2 MET 26 0.443 -5.605 6.509
188 HG3 MET 26 HG3 MET 26 1.272 -5.740 4.957
189 HE1 MET 26 HE1 MET 26 2.763 -3.697 3.932
190 HE2 MET 26 HE2 MET 26 3.073 -2.205 4.814
191 HE3 MET 26 HE3 MET 26 1.453 -2.551 4.216
192 H CYS 27 H CYS 27 -1.955 -4.657 2.055
193 HA CYS 27 HA CYS 27 -4.099 -2.876 2.889
194 HB2 CYS 27 HB2 CYS 27 -2.199 -2.401 1.099
195 HB3 CYS 27 HB3 CYS 27 -3.358 -3.187 0.002
196 H SER 28 H SER 28 -3.924 -6.063 1.681
197 HA SER 28 HA SER 28 -6.182 -6.139 0.062
198 HB2 SER 28 HB2 SER 28 -6.284 -8.622 0.822
199 HB3 SER 28 HB3 SER 28 -4.887 -8.051 -0.101
200 HG SER 28 HG SER 28 -3.644 -8.246 1.609
201 HA PRO 29 HA PRO 29 -8.857 -7.151 4.096
202 HB2 PRO 29 HB2 PRO 29 -7.298 -5.345 5.892
203 HB3 PRO 29 HB3 PRO 29 -8.216 -6.812 6.293
204 HG2 PRO 29 HG2 PRO 29 -5.575 -6.932 6.179
205 HG3 PRO 29 HG3 PRO 29 -6.555 -8.239 5.460
206 HD2 PRO 29 HD2 PRO 29 -5.118 -5.972 4.094
207 HD3 PRO 29 HD3 PRO 29 -5.276 -7.676 3.597
208 H LEU 30 H LEU 30 -7.343 -4.251 3.012
209 HA LEU 30 HA LEU 30 -9.563 -2.542 3.807
210 HB2 LEU 30 HB2 LEU 30 -7.018 -1.938 3.806
211 HB3 LEU 30 HB3 LEU 30 -7.248 -1.720 2.062
212 HG LEU 30 HG LEU 30 -8.569 -0.143 4.296
213 HD11 LEU 30 HD11 LEU 30 -7.340 1.732 3.279
214 HD12 LEU 30 HD12 LEU 30 -6.578 0.604 2.157
215 HD13 LEU 30 HD13 LEU 30 -6.266 0.473 3.888
216 HD21 LEU 30 HD21 LEU 30 -9.648 1.193 2.594
217 HD22 LEU 30 HD22 LEU 30 -10.133 -0.494 2.403
218 HD23 LEU 30 HD23 LEU 30 -8.934 0.208 1.317
219 H GLU 31 H GLU 31 -7.824 -3.204 0.767
220 HA GLU 31 HA GLU 31 -10.004 -2.082 -0.746
221 HB2 GLU 31 HB2 GLU 31 -7.615 -1.712 -1.368
222 HB3 GLU 31 HB3 GLU 31 -7.495 -3.430 -1.769
223 HG2 GLU 31 HG2 GLU 31 -9.331 -3.076 -3.436
224 HG3 GLU 31 HG3 GLU 31 -9.188 -1.342 -3.138
225 H ARG 32 H ARG 32 -8.415 -5.289 -0.775
226 HA ARG 32 HA ARG 32 -10.955 -6.431 -1.708
227 HB2 ARG 32 HB2 ARG 32 -8.240 -6.892 -2.980
228 HB3 ARG 32 HB3 ARG 32 -9.649 -7.903 -3.300
229 HG2 ARG 32 HG2 ARG 32 -9.616 -4.917 -3.810
230 HG3 ARG 32 HG3 ARG 32 -9.122 -6.092 -5.024
231 HD2 ARG 32 HD2 ARG 32 -11.450 -5.326 -5.301
232 HD3 ARG 32 HD3 ARG 32 -11.344 -7.062 -5.047
233 HE ARG 32 HE ARG 32 -11.893 -5.375 -2.720
234 HH11 ARG 32 HH11 ARG 32 -13.110 -7.557 -5.177
235 HH12 ARG 32 HH12 ARG 32 -14.569 -7.923 -4.315
236 HH21 ARG 32 HH21 ARG 32 -13.801 -5.882 -1.572
237 HH22 ARG 32 HH22 ARG 32 -14.958 -6.972 -2.265
238 H SER 33 H SER 33 -11.405 -7.522 0.130
239 HA SER 33 HA SER 33 -9.346 -9.224 1.317
240 HB2 SER 33 HB2 SER 33 -11.304 -9.604 3.021
241 HB3 SER 33 HB3 SER 33 -10.459 -8.053 3.021
242 HG SER 33 HG SER 33 -12.806 -7.924 3.035
Start of MODEL 44
1 HA ALA 1 HA ALA 1 -14.698 -0.692 1.899
2 HB1 ALA 1 HB1 ALA 1 -16.699 1.114 0.544
3 HB2 ALA 1 HB2 ALA 1 -16.599 -0.636 0.355
4 HB3 ALA 1 HB3 ALA 1 -15.278 0.389 -0.208
5 H SER 2 H SER 2 -13.210 0.923 0.833
6 HA SER 2 HA SER 2 -13.209 3.599 1.958
7 HB2 SER 2 HB2 SER 2 -12.259 1.979 3.752
8 HB3 SER 2 HB3 SER 2 -10.875 1.809 2.673
9 HG SER 2 HG SER 2 -10.466 3.436 4.157
10 HA PRO 3 HA PRO 3 -11.303 2.640 -2.308
11 HB2 PRO 3 HB2 PRO 3 -12.814 5.162 -2.825
12 HB3 PRO 3 HB3 PRO 3 -12.634 3.721 -3.850
13 HG2 PRO 3 HG2 PRO 3 -14.899 4.134 -2.557
14 HG3 PRO 3 HG3 PRO 3 -14.193 2.504 -2.622
15 HD2 PRO 3 HD2 PRO 3 -14.167 4.472 -0.333
16 HD3 PRO 3 HD3 PRO 3 -14.380 2.694 -0.312
17 H GLN 4 H GLN 4 -11.704 5.821 -0.750
18 HA GLN 4 HA GLN 4 -9.537 7.033 -2.094
19 HB2 GLN 4 HB2 GLN 4 -11.353 8.346 -1.128
20 HB3 GLN 4 HB3 GLN 4 -10.928 7.790 0.482
21 HG2 GLN 4 HG2 GLN 4 -8.712 8.910 0.202
22 HG3 GLN 4 HG3 GLN 4 -9.313 9.604 -1.304
23 HE21 GLN 4 HE21 GLN 4 -12.039 9.879 -0.219
24 HE22 GLN 4 HE22 GLN 4 -11.977 11.233 0.858
25 H GLN 5 H GLN 5 -9.848 5.651 1.159
26 HA GLN 5 HA GLN 5 -7.175 6.236 1.904
27 HB2 GLN 5 HB2 GLN 5 -9.212 4.328 3.023
28 HB3 GLN 5 HB3 GLN 5 -7.589 4.454 3.685
29 HG2 GLN 5 HG2 GLN 5 -9.263 6.918 3.394
30 HG3 GLN 5 HG3 GLN 5 -9.540 5.820 4.745
31 HE21 GLN 5 HE21 GLN 5 -6.341 6.249 3.414
32 HE22 GLN 5 HE22 GLN 5 -5.694 7.135 4.751
33 H ALA 6 H ALA 6 -8.697 3.538 0.304
34 HA ALA 6 HA ALA 6 -6.576 1.706 0.382
35 HB1 ALA 6 HB1 ALA 6 -8.760 1.034 -0.400
36 HB2 ALA 6 HB2 ALA 6 -7.569 0.757 -1.675
37 HB3 ALA 6 HB3 ALA 6 -8.646 2.146 -1.764
38 H LYS 7 H LYS 7 -7.271 4.381 -1.814
39 HA LYS 7 HA LYS 7 -5.167 3.866 -3.631
40 HB2 LYS 7 HB2 LYS 7 -7.075 5.328 -4.177
41 HB3 LYS 7 HB3 LYS 7 -6.542 6.482 -2.966
42 HG2 LYS 7 HG2 LYS 7 -5.969 7.175 -5.244
43 HG3 LYS 7 HG3 LYS 7 -4.533 6.954 -4.215
44 HD2 LYS 7 HD2 LYS 7 -4.086 4.794 -5.236
45 HD3 LYS 7 HD3 LYS 7 -5.584 4.881 -6.171
46 HE2 LYS 7 HE2 LYS 7 -3.593 5.451 -7.531
47 HE3 LYS 7 HE3 LYS 7 -4.730 6.793 -7.409
48 HZ1 LYS 7 HZ1 LYS 7 -2.605 7.692 -7.091
49 HZ2 LYS 7 HZ2 LYS 7 -2.132 6.477 -6.014
50 HZ3 LYS 7 HZ3 LYS 7 -3.283 7.629 -5.543
51 H TYR 8 H TYR 8 -5.391 5.811 -0.701
52 HA TYR 8 HA TYR 8 -2.789 6.896 -0.787
53 HB2 TYR 8 HB2 TYR 8 -4.649 7.713 0.685
54 HB3 TYR 8 HB3 TYR 8 -4.446 6.259 1.664
55 HD1 TYR 8 HD1 TYR 8 -2.851 9.413 0.629
56 HD2 TYR 8 HD2 TYR 8 -2.696 6.079 3.264
57 HE1 TYR 8 HE1 TYR 8 -1.154 10.570 1.983
58 HE2 TYR 8 HE2 TYR 8 -0.998 7.221 4.623
59 HH TYR 8 HH TYR 8 0.729 9.012 4.281
60 H CYS 9 H CYS 9 -4.106 3.922 0.563
61 HA CYS 9 HA CYS 9 -1.823 3.061 1.961
62 HB2 CYS 9 HB2 CYS 9 -4.186 2.108 2.123
63 HB3 CYS 9 HB3 CYS 9 -3.837 1.218 0.636
64 H TYR 10 H TYR 10 -2.941 2.246 -1.328
65 HA TYR 10 HA TYR 10 -0.675 0.628 -1.914
66 HB2 TYR 10 HB2 TYR 10 -2.840 1.856 -3.625
67 HB3 TYR 10 HB3 TYR 10 -1.487 0.974 -4.337
68 HD1 TYR 10 HD1 TYR 10 -4.717 0.694 -2.803
69 HD2 TYR 10 HD2 TYR 10 -1.105 -1.408 -3.598
70 HE1 TYR 10 HE1 TYR 10 -5.884 -1.438 -2.463
71 HE2 TYR 10 HE2 TYR 10 -2.259 -3.538 -3.262
72 HH TYR 10 HH TYR 10 -5.603 -3.830 -3.159
73 H GLU 11 H GLU 11 -1.257 4.031 -2.099
74 HA GLU 11 HA GLU 11 0.821 4.557 -3.990
75 HB2 GLU 11 HB2 GLU 11 -1.250 6.030 -3.371
76 HB3 GLU 11 HB3 GLU 11 -0.206 6.600 -2.049
77 HG2 GLU 11 HG2 GLU 11 -0.141 8.067 -4.020
78 HG3 GLU 11 HG3 GLU 11 1.446 7.366 -3.623
79 H GLN 12 H GLN 12 0.499 5.143 -0.483
80 HA GLN 12 HA GLN 12 3.205 6.064 -0.350
81 HB2 GLN 12 HB2 GLN 12 1.256 5.510 1.894
82 HB3 GLN 12 HB3 GLN 12 2.779 6.361 2.045
83 HG2 GLN 12 HG2 GLN 12 0.711 7.322 0.133
84 HG3 GLN 12 HG3 GLN 12 0.584 7.685 1.844
85 HE21 GLN 12 HE21 GLN 12 3.675 7.431 0.272
86 HE22 GLN 12 HE22 GLN 12 4.049 9.121 0.292
87 H CYS 13 H CYS 13 1.755 2.965 -0.070
88 HA CYS 13 HA CYS 13 3.388 1.793 1.878
89 HB2 CYS 13 HB2 CYS 13 2.766 -0.367 0.891
90 HB3 CYS 13 HB3 CYS 13 1.356 0.698 0.943
91 H ASN 14 H ASN 14 3.821 1.656 -1.675
92 HA ASN 14 HA ASN 14 6.474 0.623 -1.361
93 HB2 ASN 14 HB2 ASN 14 6.590 0.945 -3.887
94 HB3 ASN 14 HB3 ASN 14 5.368 -0.159 -3.279
95 HD21 ASN 14 HD21 ASN 14 5.318 3.412 -3.526
96 HD22 ASN 14 HD22 ASN 14 3.920 3.462 -4.544
97 H VAL 15 H VAL 15 5.149 3.825 -1.707
98 HA VAL 15 HA VAL 15 7.541 5.117 -2.513
99 HB VAL 15 HB VAL 15 5.196 6.223 -0.949
100 HG11 VAL 15 HG11 VAL 15 7.214 7.553 -0.550
101 HG12 VAL 15 HG12 VAL 15 6.055 8.442 -1.539
102 HG13 VAL 15 HG13 VAL 15 7.465 7.701 -2.290
103 HG21 VAL 15 HG21 VAL 15 4.551 7.250 -3.074
104 HG22 VAL 15 HG22 VAL 15 4.616 5.493 -3.215
105 HG23 VAL 15 HG23 VAL 15 5.922 6.481 -3.869
106 H ASN 16 H ASN 16 6.157 4.282 0.625
107 HA ASN 16 HA ASN 16 8.195 5.602 2.150
108 HB2 ASN 16 HB2 ASN 16 5.896 5.002 3.019
109 HB3 ASN 16 HB3 ASN 16 6.419 3.306 3.061
110 HD21 ASN 16 HD21 ASN 16 5.546 5.014 5.282
111 HD22 ASN 16 HD22 ASN 16 6.878 5.050 6.386
112 H LYS 17 H LYS 17 7.508 2.108 2.192
113 HA LYS 17 HA LYS 17 9.728 1.235 0.815
114 HB2 LYS 17 HB2 LYS 17 11.046 2.255 2.651
115 HB3 LYS 17 HB3 LYS 17 10.228 1.182 3.796
116 HG2 LYS 17 HG2 LYS 17 11.197 -0.767 2.731
117 HG3 LYS 17 HG3 LYS 17 11.938 0.248 1.488
118 HD2 LYS 17 HD2 LYS 17 13.327 1.351 3.119
119 HD3 LYS 17 HD3 LYS 17 12.533 0.492 4.457
120 HE2 LYS 17 HE2 LYS 17 14.679 -0.531 3.945
121 HE3 LYS 17 HE3 LYS 17 13.374 -1.640 3.522
122 HZ1 LYS 17 HZ1 LYS 17 15.164 -1.486 1.840
123 HZ2 LYS 17 HZ2 LYS 17 14.743 0.129 1.571
124 HZ3 LYS 17 HZ3 LYS 17 13.635 -1.101 1.230
125 H VAL 18 H VAL 18 7.889 -0.177 0.202
126 HA VAL 18 HA VAL 18 8.082 -2.611 1.784
127 HB VAL 18 HB VAL 18 5.848 -3.038 2.189
128 HG11 VAL 18 HG11 VAL 18 5.894 -0.027 2.330
129 HG12 VAL 18 HG12 VAL 18 6.442 -1.150 3.575
130 HG13 VAL 18 HG13 VAL 18 4.737 -1.084 3.138
131 HG21 VAL 18 HG21 VAL 18 5.028 -1.031 0.100
132 HG22 VAL 18 HG22 VAL 18 3.957 -2.101 1.010
133 HG23 VAL 18 HG23 VAL 18 5.132 -2.778 -0.120
134 HA PRO 19 HA PRO 19 8.125 -4.350 -2.363
135 HB2 PRO 19 HB2 PRO 19 7.089 -6.800 -1.097
136 HB3 PRO 19 HB3 PRO 19 8.596 -6.558 -1.997
137 HG2 PRO 19 HG2 PRO 19 8.579 -6.930 0.670
138 HG3 PRO 19 HG3 PRO 19 9.764 -5.891 -0.141
139 HD2 PRO 19 HD2 PRO 19 7.328 -5.107 1.417
140 HD3 PRO 19 HD3 PRO 19 8.928 -4.333 1.328
141 H PHE 20 H PHE 20 6.549 -4.965 -3.947
142 HA PHE 20 HA PHE 20 4.002 -3.895 -3.622
143 HB2 PHE 20 HB2 PHE 20 5.058 -4.375 -5.828
144 HB3 PHE 20 HB3 PHE 20 4.763 -6.089 -5.570
145 HD1 PHE 20 HD1 PHE 20 3.220 -2.846 -6.259
146 HD2 PHE 20 HD2 PHE 20 2.557 -7.024 -5.794
147 HE1 PHE 20 HE1 PHE 20 0.986 -2.598 -7.258
148 HE2 PHE 20 HE2 PHE 20 0.321 -6.785 -6.796
149 HZ PHE 20 HZ PHE 20 -0.467 -4.570 -7.528
150 H ASP 21 H ASP 21 5.072 -7.250 -3.226
151 HA ASP 21 HA ASP 21 2.542 -8.395 -2.852
152 HB2 ASP 21 HB2 ASP 21 3.709 -10.277 -1.787
153 HB3 ASP 21 HB3 ASP 21 4.506 -9.786 -3.277
154 H GLN 22 H GLN 22 4.770 -6.890 -0.539
155 HA GLN 22 HA GLN 22 3.235 -7.466 1.760
156 HB2 GLN 22 HB2 GLN 22 5.601 -6.694 1.855
157 HB3 GLN 22 HB3 GLN 22 5.075 -5.098 1.331
158 HG2 GLN 22 HG2 GLN 22 3.557 -5.087 3.357
159 HG3 GLN 22 HG3 GLN 22 4.455 -6.509 3.904
160 HE21 GLN 22 HE21 GLN 22 4.240 -3.907 5.146
161 HE22 GLN 22 HE22 GLN 22 5.851 -3.282 5.268
162 H CYS 23 H CYS 23 3.261 -4.770 -0.525
163 HA CYS 23 HA CYS 23 1.373 -3.147 0.818
164 HB2 CYS 23 HB2 CYS 23 2.812 -2.440 -1.175
165 HB3 CYS 23 HB3 CYS 23 1.665 -3.310 -2.196
166 H TYR 24 H TYR 24 0.999 -5.682 -1.616
167 HA TYR 24 HA TYR 24 -1.823 -5.577 -1.750
168 HB2 TYR 24 HB2 TYR 24 -0.268 -6.717 -3.401
169 HB3 TYR 24 HB3 TYR 24 -0.095 -8.021 -2.214
170 HD1 TYR 24 HD1 TYR 24 -1.894 -9.572 -1.805
171 HD2 TYR 24 HD2 TYR 24 -2.370 -6.377 -4.567
172 HE1 TYR 24 HE1 TYR 24 -3.915 -10.646 -2.690
173 HE2 TYR 24 HE2 TYR 24 -4.393 -7.442 -5.460
174 HH TYR 24 HH TYR 24 -5.960 -10.021 -3.899
175 H GLN 25 H GLN 25 0.384 -7.014 0.518
176 HA GLN 25 HA GLN 25 -1.450 -8.916 1.586
177 HB2 GLN 25 HB2 GLN 25 1.012 -9.175 1.729
178 HB3 GLN 25 HB3 GLN 25 1.084 -7.760 2.776
179 HG2 GLN 25 HG2 GLN 25 1.210 -9.508 4.278
180 HG3 GLN 25 HG3 GLN 25 -0.502 -9.106 4.315
181 HE21 GLN 25 HE21 GLN 25 -1.019 -10.418 1.718
182 HE22 GLN 25 HE22 GLN 25 -0.972 -12.113 2.042
183 H MET 26 H MET 26 -0.519 -5.615 2.401
184 HA MET 26 HA MET 26 -2.271 -5.657 4.729
185 HB2 MET 26 HB2 MET 26 -0.509 -3.466 3.633
186 HB3 MET 26 HB3 MET 26 -1.437 -3.348 5.118
187 HG2 MET 26 HG2 MET 26 -0.116 -5.198 6.071
188 HG3 MET 26 HG3 MET 26 0.833 -5.276 4.586
189 HE1 MET 26 HE1 MET 26 2.487 -1.651 4.669
190 HE2 MET 26 HE2 MET 26 0.939 -2.071 3.941
191 HE3 MET 26 HE3 MET 26 2.333 -3.130 3.725
192 H CYS 27 H CYS 27 -2.036 -3.875 1.637
193 HA CYS 27 HA CYS 27 -4.323 -2.274 2.328
194 HB2 CYS 27 HB2 CYS 27 -2.922 -2.480 -0.355
195 HB3 CYS 27 HB3 CYS 27 -4.027 -1.199 0.177
196 H SER 28 H SER 28 -3.905 -5.249 0.512
197 HA SER 28 HA SER 28 -6.292 -4.965 -0.988
198 HB2 SER 28 HB2 SER 28 -4.467 -6.549 -1.634
199 HB3 SER 28 HB3 SER 28 -5.005 -7.611 -0.322
200 HG SER 28 HG SER 28 -6.552 -6.739 -2.543
201 HA PRO 29 HA PRO 29 -8.409 -7.601 2.608
202 HB2 PRO 29 HB2 PRO 29 -6.617 -6.656 4.797
203 HB3 PRO 29 HB3 PRO 29 -7.462 -8.209 4.625
204 HG2 PRO 29 HG2 PRO 29 -4.861 -8.106 4.164
205 HG3 PRO 29 HG3 PRO 29 -5.921 -9.025 3.062
206 HD2 PRO 29 HD2 PRO 29 -4.723 -6.281 2.691
207 HD3 PRO 29 HD3 PRO 29 -4.858 -7.621 1.525
208 H LEU 30 H LEU 30 -7.082 -4.476 2.498
209 HA LEU 30 HA LEU 30 -9.095 -3.232 4.187
210 HB2 LEU 30 HB2 LEU 30 -6.649 -2.464 3.904
211 HB3 LEU 30 HB3 LEU 30 -7.139 -1.890 2.303
212 HG LEU 30 HG LEU 30 -8.128 -0.859 4.983
213 HD11 LEU 30 HD11 LEU 30 -5.873 -0.146 4.413
214 HD12 LEU 30 HD12 LEU 30 -6.999 1.206 4.268
215 HD13 LEU 30 HD13 LEU 30 -6.422 0.378 2.819
216 HD21 LEU 30 HD21 LEU 30 -9.363 0.820 3.733
217 HD22 LEU 30 HD22 LEU 30 -9.923 -0.795 3.292
218 HD23 LEU 30 HD23 LEU 30 -8.854 0.095 2.208
219 H GLU 31 H GLU 31 -8.084 -3.153 0.813
220 HA GLU 31 HA GLU 31 -10.305 -1.596 -0.061
221 HB2 GLU 31 HB2 GLU 31 -8.097 -1.474 -1.140
222 HB3 GLU 31 HB3 GLU 31 -8.254 -3.158 -1.648
223 HG2 GLU 31 HG2 GLU 31 -10.247 -2.513 -2.982
224 HG3 GLU 31 HG3 GLU 31 -9.925 -0.821 -2.579
225 H ARG 32 H ARG 32 -9.500 -5.040 -0.300
226 HA ARG 32 HA ARG 32 -12.128 -5.458 -1.577
227 HB2 ARG 32 HB2 ARG 32 -9.550 -6.975 -2.094
228 HB3 ARG 32 HB3 ARG 32 -11.119 -7.420 -2.760
229 HG2 ARG 32 HG2 ARG 32 -9.752 -4.765 -3.299
230 HG3 ARG 32 HG3 ARG 32 -9.573 -6.178 -4.334
231 HD2 ARG 32 HD2 ARG 32 -11.209 -4.678 -5.264
232 HD3 ARG 32 HD3 ARG 32 -12.014 -6.151 -4.746
233 HE ARG 32 HE ARG 32 -12.106 -4.157 -2.716
234 HH11 ARG 32 HH11 ARG 32 -13.534 -5.067 -5.779
235 HH12 ARG 32 HH12 ARG 32 -15.029 -4.245 -5.472
236 HH21 ARG 32 HH21 ARG 32 -14.078 -3.085 -2.305
237 HH22 ARG 32 HH22 ARG 32 -15.337 -3.114 -3.499
238 H SER 33 H SER 33 -13.034 -5.816 0.483
239 HA SER 33 HA SER 33 -12.901 -8.633 1.159
240 HB2 SER 33 HB2 SER 33 -12.448 -6.493 3.266
241 HB3 SER 33 HB3 SER 33 -12.754 -8.195 3.609
242 HG SER 33 HG SER 33 -10.765 -7.894 1.791
Start of MODEL 45
1 HA ALA 1 HA ALA 1 -16.477 2.704 0.711
2 HB1 ALA 1 HB1 ALA 1 -18.416 4.661 1.938
3 HB2 ALA 1 HB2 ALA 1 -18.845 3.119 1.198
4 HB3 ALA 1 HB3 ALA 1 -18.144 4.402 0.214
5 H SER 2 H SER 2 -14.445 3.452 0.420
6 HA SER 2 HA SER 2 -13.916 6.236 0.489
7 HB2 SER 2 HB2 SER 2 -13.801 5.683 2.979
8 HB3 SER 2 HB3 SER 2 -12.409 4.668 2.605
9 HG SER 2 HG SER 2 -12.507 7.381 1.819
10 HA PRO 3 HA PRO 3 -11.352 3.448 -2.316
11 HB2 PRO 3 HB2 PRO 3 -11.821 5.878 -3.989
12 HB3 PRO 3 HB3 PRO 3 -11.839 4.161 -4.457
13 HG2 PRO 3 HG2 PRO 3 -14.117 5.474 -4.191
14 HG3 PRO 3 HG3 PRO 3 -13.962 3.817 -3.565
15 HD2 PRO 3 HD2 PRO 3 -13.915 6.417 -2.033
16 HD3 PRO 3 HD3 PRO 3 -14.675 4.851 -1.606
17 H GLN 4 H GLN 4 -11.137 6.773 -1.253
18 HA GLN 4 HA GLN 4 -8.547 7.267 -2.328
19 HB2 GLN 4 HB2 GLN 4 -10.071 8.695 -0.150
20 HB3 GLN 4 HB3 GLN 4 -8.522 9.235 -0.786
21 HG2 GLN 4 HG2 GLN 4 -11.082 8.965 -2.367
22 HG3 GLN 4 HG3 GLN 4 -10.360 10.473 -1.811
23 HE21 GLN 4 HE21 GLN 4 -7.634 9.602 -2.398
24 HE22 GLN 4 HE22 GLN 4 -7.478 9.663 -4.122
25 H GLN 5 H GLN 5 -9.723 6.076 0.766
26 HA GLN 5 HA GLN 5 -7.234 6.257 2.098
27 HB2 GLN 5 HB2 GLN 5 -8.193 5.110 3.883
28 HB3 GLN 5 HB3 GLN 5 -9.582 5.873 3.129
29 HG2 GLN 5 HG2 GLN 5 -10.214 3.807 2.075
30 HG3 GLN 5 HG3 GLN 5 -8.745 3.022 2.646
31 HE21 GLN 5 HE21 GLN 5 -8.537 2.638 4.946
32 HE22 GLN 5 HE22 GLN 5 -9.956 2.498 5.928
33 H ALA 6 H ALA 6 -8.710 3.819 0.102
34 HA ALA 6 HA ALA 6 -6.692 1.842 0.506
35 HB1 ALA 6 HB1 ALA 6 -8.684 2.154 -1.738
36 HB2 ALA 6 HB2 ALA 6 -8.888 1.183 -0.279
37 HB3 ALA 6 HB3 ALA 6 -7.664 0.744 -1.472
38 H LYS 7 H LYS 7 -7.281 4.332 -1.936
39 HA LYS 7 HA LYS 7 -5.103 3.685 -3.608
40 HB2 LYS 7 HB2 LYS 7 -6.964 5.138 -4.328
41 HB3 LYS 7 HB3 LYS 7 -6.451 6.367 -3.184
42 HG2 LYS 7 HG2 LYS 7 -5.753 6.943 -5.423
43 HG3 LYS 7 HG3 LYS 7 -4.334 6.621 -4.393
44 HD2 LYS 7 HD2 LYS 7 -4.170 4.353 -5.344
45 HD3 LYS 7 HD3 LYS 7 -5.577 4.669 -6.364
46 HE2 LYS 7 HE2 LYS 7 -3.478 4.939 -7.626
47 HE3 LYS 7 HE3 LYS 7 -4.354 6.463 -7.500
48 HZ1 LYS 7 HZ1 LYS 7 -2.020 5.651 -5.856
49 HZ2 LYS 7 HZ2 LYS 7 -2.878 7.095 -5.673
50 HZ3 LYS 7 HZ3 LYS 7 -2.019 6.800 -7.095
51 H TYR 8 H TYR 8 -5.415 5.768 -0.786
52 HA TYR 8 HA TYR 8 -2.834 6.892 -0.845
53 HB2 TYR 8 HB2 TYR 8 -4.782 7.654 0.580
54 HB3 TYR 8 HB3 TYR 8 -4.463 6.267 1.624
55 HD1 TYR 8 HD1 TYR 8 -3.138 9.484 0.431
56 HD2 TYR 8 HD2 TYR 8 -2.659 6.282 3.187
57 HE1 TYR 8 HE1 TYR 8 -1.520 10.831 1.701
58 HE2 TYR 8 HE2 TYR 8 -1.035 7.613 4.465
59 HH TYR 8 HH TYR 8 -0.649 10.931 4.037
60 H CYS 9 H CYS 9 -4.114 3.922 0.540
61 HA CYS 9 HA CYS 9 -1.801 3.142 1.958
62 HB2 CYS 9 HB2 CYS 9 -4.125 2.183 2.263
63 HB3 CYS 9 HB3 CYS 9 -3.882 1.277 0.763
64 H TYR 10 H TYR 10 -2.997 2.189 -1.272
65 HA TYR 10 HA TYR 10 -0.745 0.568 -1.880
66 HB2 TYR 10 HB2 TYR 10 -2.900 1.817 -3.591
67 HB3 TYR 10 HB3 TYR 10 -1.569 0.896 -4.295
68 HD1 TYR 10 HD1 TYR 10 -1.272 -1.507 -3.587
69 HD2 TYR 10 HD2 TYR 10 -4.792 0.722 -2.718
70 HE1 TYR 10 HE1 TYR 10 -2.508 -3.601 -3.255
71 HE2 TYR 10 HE2 TYR 10 -6.034 -1.364 -2.381
72 HH TYR 10 HH TYR 10 -5.894 -3.723 -3.066
73 H GLU 11 H GLU 11 -1.303 3.976 -2.079
74 HA GLU 11 HA GLU 11 0.803 4.507 -3.939
75 HB2 GLU 11 HB2 GLU 11 -1.150 6.057 -3.486
76 HB3 GLU 11 HB3 GLU 11 -0.380 6.421 -1.927
77 HG2 GLU 11 HG2 GLU 11 0.096 8.130 -3.606
78 HG3 GLU 11 HG3 GLU 11 1.569 7.300 -3.047
79 H GLN 12 H GLN 12 0.462 5.122 -0.444
80 HA GLN 12 HA GLN 12 3.171 5.977 -0.272
81 HB2 GLN 12 HB2 GLN 12 1.103 5.457 1.861
82 HB3 GLN 12 HB3 GLN 12 2.676 6.170 2.168
83 HG2 GLN 12 HG2 GLN 12 0.899 7.388 0.120
84 HG3 GLN 12 HG3 GLN 12 0.576 7.664 1.825
85 HE21 GLN 12 HE21 GLN 12 3.812 7.219 0.641
86 HE22 GLN 12 HE22 GLN 12 4.323 8.857 0.858
87 H CYS 13 H CYS 13 1.687 2.890 -0.016
88 HA CYS 13 HA CYS 13 3.272 1.685 1.941
89 HB2 CYS 13 HB2 CYS 13 2.683 -0.463 0.899
90 HB3 CYS 13 HB3 CYS 13 1.271 0.598 0.955
91 H ASN 14 H ASN 14 3.817 1.528 -1.604
92 HA ASN 14 HA ASN 14 6.470 0.538 -1.186
93 HB2 ASN 14 HB2 ASN 14 6.716 0.851 -3.682
94 HB3 ASN 14 HB3 ASN 14 5.424 -0.216 -3.166
95 HD21 ASN 14 HD21 ASN 14 5.380 3.346 -3.269
96 HD22 ASN 14 HD22 ASN 14 4.105 3.440 -4.437
97 H VAL 15 H VAL 15 5.111 3.711 -1.527
98 HA VAL 15 HA VAL 15 7.487 5.065 -2.262
99 HB VAL 15 HB VAL 15 5.053 6.085 -0.786
100 HG11 VAL 15 HG11 VAL 15 6.984 7.478 -0.240
101 HG12 VAL 15 HG12 VAL 15 5.873 8.345 -1.299
102 HG13 VAL 15 HG13 VAL 15 7.357 7.655 -1.955
103 HG21 VAL 15 HG21 VAL 15 5.931 6.401 -3.661
104 HG22 VAL 15 HG22 VAL 15 4.502 7.136 -2.935
105 HG23 VAL 15 HG23 VAL 15 4.610 5.382 -3.087
106 H ASN 16 H ASN 16 6.051 4.225 0.879
107 HA ASN 16 HA ASN 16 8.073 5.497 2.428
108 HB2 ASN 16 HB2 ASN 16 6.234 3.173 3.119
109 HB3 ASN 16 HB3 ASN 16 7.295 3.984 4.275
110 HD21 ASN 16 HD21 ASN 16 6.848 6.619 3.118
111 HD22 ASN 16 HD22 ASN 16 5.255 7.087 3.608
112 H LYS 17 H LYS 17 7.570 1.986 2.373
113 HA LYS 17 HA LYS 17 9.607 1.268 0.686
114 HB2 LYS 17 HB2 LYS 17 10.616 1.854 3.365
115 HB3 LYS 17 HB3 LYS 17 10.993 0.211 2.822
116 HG2 LYS 17 HG2 LYS 17 12.000 1.141 0.771
117 HG3 LYS 17 HG3 LYS 17 11.654 2.775 1.354
118 HD2 LYS 17 HD2 LYS 17 13.052 2.235 3.396
119 HD3 LYS 17 HD3 LYS 17 13.495 0.717 2.586
120 HE2 LYS 17 HE2 LYS 17 15.225 2.363 2.208
121 HE3 LYS 17 HE3 LYS 17 14.393 2.018 0.693
122 HZ1 LYS 17 HZ1 LYS 17 13.109 4.043 0.979
123 HZ2 LYS 17 HZ2 LYS 17 14.761 4.384 0.975
124 HZ3 LYS 17 HZ3 LYS 17 13.907 4.374 2.432
125 H VAL 18 H VAL 18 7.785 -0.160 0.205
126 HA VAL 18 HA VAL 18 8.174 -2.648 1.680
127 HB VAL 18 HB VAL 18 5.947 -3.182 2.082
128 HG11 VAL 18 HG11 VAL 18 6.616 -1.380 3.581
129 HG12 VAL 18 HG12 VAL 18 4.881 -1.354 3.264
130 HG13 VAL 18 HG13 VAL 18 5.941 -0.192 2.464
131 HG21 VAL 18 HG21 VAL 18 4.009 -2.103 1.064
132 HG22 VAL 18 HG22 VAL 18 5.117 -2.760 -0.146
133 HG23 VAL 18 HG23 VAL 18 5.082 -1.023 0.169
134 HA PRO 19 HA PRO 19 8.159 -4.297 -2.503
135 HB2 PRO 19 HB2 PRO 19 7.181 -6.777 -1.224
136 HB3 PRO 19 HB3 PRO 19 8.640 -6.520 -2.198
137 HG2 PRO 19 HG2 PRO 19 8.788 -6.911 0.452
138 HG3 PRO 19 HG3 PRO 19 9.890 -5.814 -0.400
139 HD2 PRO 19 HD2 PRO 19 7.498 -5.149 1.280
140 HD3 PRO 19 HD3 PRO 19 9.069 -4.323 1.153
141 H PHE 20 H PHE 20 6.543 -4.978 -4.060
142 HA PHE 20 HA PHE 20 4.008 -3.873 -3.621
143 HB2 PHE 20 HB2 PHE 20 5.037 -4.296 -5.879
144 HB3 PHE 20 HB3 PHE 20 4.637 -5.999 -5.684
145 HD1 PHE 20 HD1 PHE 20 2.363 -6.777 -5.857
146 HD2 PHE 20 HD2 PHE 20 3.294 -2.636 -6.196
147 HE1 PHE 20 HE1 PHE 20 0.114 -6.345 -6.760
148 HE2 PHE 20 HE2 PHE 20 1.046 -2.201 -7.099
149 HZ PHE 20 HZ PHE 20 -0.546 -4.057 -7.379
150 H ASP 21 H ASP 21 5.085 -7.243 -3.416
151 HA ASP 21 HA ASP 21 2.589 -8.416 -2.976
152 HB2 ASP 21 HB2 ASP 21 3.891 -10.231 -1.795
153 HB3 ASP 21 HB3 ASP 21 4.396 -9.879 -3.444
154 H GLN 22 H GLN 22 4.848 -6.933 -0.687
155 HA GLN 22 HA GLN 22 3.373 -7.505 1.650
156 HB2 GLN 22 HB2 GLN 22 5.672 -6.797 1.819
157 HB3 GLN 22 HB3 GLN 22 5.299 -5.261 1.038
158 HG2 GLN 22 HG2 GLN 22 5.536 -4.937 3.406
159 HG3 GLN 22 HG3 GLN 22 3.854 -4.668 2.929
160 HE21 GLN 22 HE21 GLN 22 3.073 -5.039 4.986
161 HE22 GLN 22 HE22 GLN 22 3.028 -6.626 5.690
162 H CYS 23 H CYS 23 3.302 -4.801 -0.628
163 HA CYS 23 HA CYS 23 1.441 -3.208 0.776
164 HB2 CYS 23 HB2 CYS 23 2.797 -2.476 -1.262
165 HB3 CYS 23 HB3 CYS 23 1.633 -3.366 -2.246
166 H TYR 24 H TYR 24 1.048 -5.794 -1.570
167 HA TYR 24 HA TYR 24 -1.770 -5.741 -1.710
168 HB2 TYR 24 HB2 TYR 24 -0.218 -6.902 -3.317
169 HB3 TYR 24 HB3 TYR 24 0.042 -8.143 -2.080
170 HD1 TYR 24 HD1 TYR 24 -1.705 -9.728 -1.533
171 HD2 TYR 24 HD2 TYR 24 -2.305 -6.757 -4.509
172 HE1 TYR 24 HE1 TYR 24 -3.668 -10.950 -2.344
173 HE2 TYR 24 HE2 TYR 24 -4.275 -7.969 -5.327
174 HH TYR 24 HH TYR 24 -5.134 -10.310 -5.309
175 H GLN 25 H GLN 25 0.413 -7.015 0.694
176 HA GLN 25 HA GLN 25 -1.570 -8.813 1.781
177 HB2 GLN 25 HB2 GLN 25 1.160 -7.989 2.777
178 HB3 GLN 25 HB3 GLN 25 0.093 -9.056 3.684
179 HG2 GLN 25 HG2 GLN 25 1.395 -9.577 1.009
180 HG3 GLN 25 HG3 GLN 25 1.588 -10.474 2.513
181 HE21 GLN 25 HE21 GLN 25 -0.073 -11.858 3.191
182 HE22 GLN 25 HE22 GLN 25 -1.273 -12.438 2.084
183 H MET 26 H MET 26 -0.490 -5.559 2.329
184 HA MET 26 HA MET 26 -1.995 -5.381 4.806
185 HB2 MET 26 HB2 MET 26 0.112 -4.290 4.874
186 HB3 MET 26 HB3 MET 26 -0.173 -3.498 3.335
187 HG2 MET 26 HG2 MET 26 -1.901 -2.102 4.368
188 HG3 MET 26 HG3 MET 26 -1.608 -2.895 5.917
189 HE1 MET 26 HE1 MET 26 1.317 -2.051 3.374
190 HE2 MET 26 HE2 MET 26 1.636 -0.371 3.792
191 HE3 MET 26 HE3 MET 26 0.105 -0.816 3.038
192 H CYS 27 H CYS 27 -2.035 -3.804 1.593
193 HA CYS 27 HA CYS 27 -4.310 -2.209 2.391
194 HB2 CYS 27 HB2 CYS 27 -2.995 -2.356 -0.338
195 HB3 CYS 27 HB3 CYS 27 -4.063 -1.080 0.276
196 H SER 28 H SER 28 -3.839 -5.119 0.475
197 HA SER 28 HA SER 28 -6.251 -4.890 -0.961
198 HB2 SER 28 HB2 SER 28 -4.709 -7.419 -0.389
199 HB3 SER 28 HB3 SER 28 -5.933 -7.185 -1.648
200 HG SER 28 HG SER 28 -4.415 -5.299 -2.209
201 HA PRO 29 HA PRO 29 -8.224 -7.769 2.510
202 HB2 PRO 29 HB2 PRO 29 -6.507 -6.771 4.740
203 HB3 PRO 29 HB3 PRO 29 -7.277 -8.359 4.534
204 HG2 PRO 29 HG2 PRO 29 -4.678 -8.118 4.099
205 HG3 PRO 29 HG3 PRO 29 -5.681 -9.081 2.982
206 HD2 PRO 29 HD2 PRO 29 -4.593 -6.295 2.632
207 HD3 PRO 29 HD3 PRO 29 -4.705 -7.622 1.451
208 H LEU 30 H LEU 30 -6.876 -4.589 2.832
209 HA LEU 30 HA LEU 30 -8.926 -3.435 4.460
210 HB2 LEU 30 HB2 LEU 30 -6.540 -2.568 4.039
211 HB3 LEU 30 HB3 LEU 30 -7.138 -2.023 2.465
212 HG LEU 30 HG LEU 30 -7.956 -0.997 5.202
213 HD11 LEU 30 HD11 LEU 30 -5.817 -0.173 4.396
214 HD12 LEU 30 HD12 LEU 30 -7.026 1.110 4.325
215 HD13 LEU 30 HD13 LEU 30 -6.544 0.272 2.850
216 HD21 LEU 30 HD21 LEU 30 -9.402 0.595 4.057
217 HD22 LEU 30 HD22 LEU 30 -9.922 -1.058 3.711
218 HD23 LEU 30 HD23 LEU 30 -9.018 -0.145 2.501
219 H GLU 31 H GLU 31 -8.115 -3.175 1.036
220 HA GLU 31 HA GLU 31 -10.421 -1.708 0.314
221 HB2 GLU 31 HB2 GLU 31 -8.209 -1.772 -0.911
222 HB3 GLU 31 HB3 GLU 31 -8.666 -3.372 -1.507
223 HG2 GLU 31 HG2 GLU 31 -10.329 -0.908 -2.029
224 HG3 GLU 31 HG3 GLU 31 -9.014 -1.427 -3.090
225 H ARG 32 H ARG 32 -9.587 -5.143 -0.093
226 HA ARG 32 HA ARG 32 -12.420 -5.634 -0.721
227 HB2 ARG 32 HB2 ARG 32 -10.941 -5.701 -2.761
228 HB3 ARG 32 HB3 ARG 32 -10.059 -7.035 -2.011
229 HG2 ARG 32 HG2 ARG 32 -11.632 -7.895 -3.652
230 HG3 ARG 32 HG3 ARG 32 -12.103 -8.402 -2.030
231 HD2 ARG 32 HD2 ARG 32 -13.825 -7.393 -3.814
232 HD3 ARG 32 HD3 ARG 32 -14.034 -7.220 -2.077
233 HE ARG 32 HE ARG 32 -12.517 -5.075 -3.249
234 HH11 ARG 32 HH11 ARG 32 -15.753 -6.277 -2.662
235 HH12 ARG 32 HH12 ARG 32 -16.477 -4.700 -2.662
236 HH21 ARG 32 HH21 ARG 32 -13.457 -2.992 -3.232
237 HH22 ARG 32 HH22 ARG 32 -15.176 -2.832 -2.981
238 H SER 33 H SER 33 -13.094 -6.529 1.133
239 HA SER 33 HA SER 33 -11.498 -8.709 2.300
240 HB2 SER 33 HB2 SER 33 -13.915 -7.374 3.556
241 HB3 SER 33 HB3 SER 33 -12.705 -8.378 4.349
242 HG SER 33 HG SER 33 -11.159 -6.699 3.759
Start of MODEL 46
1 HA ALA 1 HA ALA 1 -17.039 2.387 -0.164
2 HB1 ALA 1 HB1 ALA 1 -18.650 2.210 1.666
3 HB2 ALA 1 HB2 ALA 1 -18.516 3.872 1.089
4 HB3 ALA 1 HB3 ALA 1 -17.730 3.394 2.593
5 H SER 2 H SER 2 -14.448 2.792 -0.253
6 HA SER 2 HA SER 2 -14.091 5.575 -0.550
7 HB2 SER 2 HB2 SER 2 -14.006 5.381 2.005
8 HB3 SER 2 HB3 SER 2 -12.523 4.452 1.791
9 HG SER 2 HG SER 2 -12.953 7.150 1.571
10 HA PRO 3 HA PRO 3 -11.200 2.681 -2.872
11 HB2 PRO 3 HB2 PRO 3 -11.808 4.841 -4.847
12 HB3 PRO 3 HB3 PRO 3 -11.635 3.090 -5.105
13 HG2 PRO 3 HG2 PRO 3 -14.042 4.168 -5.091
14 HG3 PRO 3 HG3 PRO 3 -13.751 2.633 -4.243
15 HD2 PRO 3 HD2 PRO 3 -14.025 5.400 -3.070
16 HD3 PRO 3 HD3 PRO 3 -14.668 3.839 -2.471
17 H GLN 4 H GLN 4 -11.387 6.131 -2.318
18 HA GLN 4 HA GLN 4 -8.819 6.842 -3.186
19 HB2 GLN 4 HB2 GLN 4 -10.498 8.537 -2.834
20 HB3 GLN 4 HB3 GLN 4 -10.639 8.105 -1.134
21 HG2 GLN 4 HG2 GLN 4 -9.345 10.021 -1.046
22 HG3 GLN 4 HG3 GLN 4 -8.129 8.746 -1.017
23 HE21 GLN 4 HE21 GLN 4 -8.562 8.240 -3.950
24 HE22 GLN 4 HE22 GLN 4 -7.730 9.531 -4.738
25 H GLN 5 H GLN 5 -10.008 5.850 0.010
26 HA GLN 5 HA GLN 5 -7.543 6.327 1.311
27 HB2 GLN 5 HB2 GLN 5 -8.451 5.348 3.236
28 HB3 GLN 5 HB3 GLN 5 -9.820 6.075 2.419
29 HG2 GLN 5 HG2 GLN 5 -10.452 3.881 1.533
30 HG3 GLN 5 HG3 GLN 5 -9.078 3.165 2.367
31 HE21 GLN 5 HE21 GLN 5 -10.986 5.741 3.762
32 HE22 GLN 5 HE22 GLN 5 -11.732 4.774 4.991
33 H ALA 6 H ALA 6 -8.866 3.549 -0.337
34 HA ALA 6 HA ALA 6 -6.827 1.709 0.344
35 HB1 ALA 6 HB1 ALA 6 -7.524 0.445 -1.639
36 HB2 ALA 6 HB2 ALA 6 -8.500 1.813 -2.168
37 HB3 ALA 6 HB3 ALA 6 -8.915 0.957 -0.684
38 H LYS 7 H LYS 7 -7.156 4.097 -2.218
39 HA LYS 7 HA LYS 7 -4.779 3.445 -3.594
40 HB2 LYS 7 HB2 LYS 7 -6.522 4.825 -4.613
41 HB3 LYS 7 HB3 LYS 7 -6.253 6.079 -3.412
42 HG2 LYS 7 HG2 LYS 7 -5.227 6.674 -5.518
43 HG3 LYS 7 HG3 LYS 7 -3.993 6.430 -4.256
44 HD2 LYS 7 HD2 LYS 7 -3.539 4.182 -5.136
45 HD3 LYS 7 HD3 LYS 7 -4.782 4.398 -6.374
46 HE2 LYS 7 HE2 LYS 7 -2.253 6.033 -6.084
47 HE3 LYS 7 HE3 LYS 7 -2.542 4.791 -7.301
48 HZ1 LYS 7 HZ1 LYS 7 -4.331 6.126 -8.203
49 HZ2 LYS 7 HZ2 LYS 7 -2.893 7.016 -8.180
50 HZ3 LYS 7 HZ3 LYS 7 -4.089 7.314 -7.021
51 H TYR 8 H TYR 8 -5.457 5.504 -0.827
52 HA TYR 8 HA TYR 8 -2.942 6.758 -0.634
53 HB2 TYR 8 HB2 TYR 8 -4.973 7.459 0.632
54 HB3 TYR 8 HB3 TYR 8 -4.810 6.013 1.630
55 HD1 TYR 8 HD1 TYR 8 -3.253 5.932 3.435
56 HD2 TYR 8 HD2 TYR 8 -3.260 9.237 0.762
57 HE1 TYR 8 HE1 TYR 8 -1.780 7.166 4.967
58 HE2 TYR 8 HE2 TYR 8 -1.786 10.481 2.284
59 HH TYR 8 HH TYR 8 -0.151 9.019 4.869
60 H CYS 9 H CYS 9 -4.190 3.739 0.719
61 HA CYS 9 HA CYS 9 -1.925 3.015 2.216
62 HB2 CYS 9 HB2 CYS 9 -4.176 1.928 2.387
63 HB3 CYS 9 HB3 CYS 9 -3.882 1.142 0.830
64 H TYR 10 H TYR 10 -2.839 2.280 -1.125
65 HA TYR 10 HA TYR 10 -0.498 0.741 -1.668
66 HB2 TYR 10 HB2 TYR 10 -2.694 1.888 -3.386
67 HB3 TYR 10 HB3 TYR 10 -1.271 1.131 -4.108
68 HD1 TYR 10 HD1 TYR 10 -0.749 -1.244 -3.512
69 HD2 TYR 10 HD2 TYR 10 -4.486 0.557 -2.579
70 HE1 TYR 10 HE1 TYR 10 -1.749 -3.459 -3.289
71 HE2 TYR 10 HE2 TYR 10 -5.502 -1.666 -2.349
72 HH TYR 10 HH TYR 10 -3.638 -4.521 -2.181
73 H GLU 11 H GLU 11 -1.274 4.152 -1.963
74 HA GLU 11 HA GLU 11 0.913 4.729 -3.689
75 HB2 GLU 11 HB2 GLU 11 -1.088 6.222 -3.450
76 HB3 GLU 11 HB3 GLU 11 -0.513 6.661 -1.826
77 HG2 GLU 11 HG2 GLU 11 1.597 7.483 -2.890
78 HG3 GLU 11 HG3 GLU 11 0.829 7.214 -4.471
79 H GLN 12 H GLN 12 0.462 4.967 -0.152
80 HA GLN 12 HA GLN 12 3.065 6.161 0.136
81 HB2 GLN 12 HB2 GLN 12 1.127 5.232 2.267
82 HB3 GLN 12 HB3 GLN 12 2.553 6.214 2.527
83 HG2 GLN 12 HG2 GLN 12 0.466 7.133 0.623
84 HG3 GLN 12 HG3 GLN 12 0.221 7.315 2.352
85 HE21 GLN 12 HE21 GLN 12 3.413 7.505 1.018
86 HE22 GLN 12 HE22 GLN 12 3.610 9.216 1.202
87 H CYS 13 H CYS 13 1.869 2.946 0.094
88 HA CYS 13 HA CYS 13 3.634 1.762 1.950
89 HB2 CYS 13 HB2 CYS 13 3.036 -0.367 0.920
90 HB3 CYS 13 HB3 CYS 13 1.588 0.642 1.016
91 H ASN 14 H ASN 14 3.879 1.895 -1.619
92 HA ASN 14 HA ASN 14 6.573 0.955 -1.566
93 HB2 ASN 14 HB2 ASN 14 6.578 1.559 -4.015
94 HB3 ASN 14 HB3 ASN 14 5.338 0.423 -3.515
95 HD21 ASN 14 HD21 ASN 14 5.306 3.980 -3.214
96 HD22 ASN 14 HD22 ASN 14 3.922 4.196 -4.231
97 H VAL 15 H VAL 15 5.141 4.107 -1.390
98 HA VAL 15 HA VAL 15 7.377 5.643 -2.129
99 HB VAL 15 HB VAL 15 5.098 6.264 -0.246
100 HG11 VAL 15 HG11 VAL 15 7.001 7.559 0.518
101 HG12 VAL 15 HG12 VAL 15 5.868 8.621 -0.320
102 HG13 VAL 15 HG13 VAL 15 7.340 8.088 -1.130
103 HG21 VAL 15 HG21 VAL 15 4.410 7.785 -2.054
104 HG22 VAL 15 HG22 VAL 15 4.509 6.114 -2.608
105 HG23 VAL 15 HG23 VAL 15 5.789 7.255 -3.017
106 H ASN 16 H ASN 16 6.372 4.321 1.032
107 HA ASN 16 HA ASN 16 8.628 5.405 2.408
108 HB2 ASN 16 HB2 ASN 16 6.883 3.026 3.143
109 HB3 ASN 16 HB3 ASN 16 8.027 3.834 4.220
110 HD21 ASN 16 HD21 ASN 16 7.352 6.495 3.241
111 HD22 ASN 16 HD22 ASN 16 5.799 6.861 3.918
112 H LYS 17 H LYS 17 7.971 1.937 2.183
113 HA LYS 17 HA LYS 17 9.759 1.229 0.238
114 HB2 LYS 17 HB2 LYS 17 11.632 0.220 1.541
115 HB3 LYS 17 HB3 LYS 17 11.620 1.987 1.531
116 HG2 LYS 17 HG2 LYS 17 10.682 2.002 3.785
117 HG3 LYS 17 HG3 LYS 17 10.657 0.232 3.793
118 HD2 LYS 17 HD2 LYS 17 13.058 0.132 3.574
119 HD3 LYS 17 HD3 LYS 17 13.168 1.896 3.404
120 HE2 LYS 17 HE2 LYS 17 12.218 0.381 5.846
121 HE3 LYS 17 HE3 LYS 17 13.786 1.161 5.659
122 HZ1 LYS 17 HZ1 LYS 17 11.141 2.505 5.720
123 HZ2 LYS 17 HZ2 LYS 17 12.604 3.288 5.402
124 HZ3 LYS 17 HZ3 LYS 17 12.339 2.573 6.908
125 H VAL 18 H VAL 18 7.857 -0.145 -0.080
126 HA VAL 18 HA VAL 18 8.285 -2.642 1.384
127 HB VAL 18 HB VAL 18 6.101 -3.065 1.990
128 HG11 VAL 18 HG11 VAL 18 6.870 -1.192 3.325
129 HG12 VAL 18 HG12 VAL 18 5.122 -1.123 3.088
130 HG13 VAL 18 HG13 VAL 18 6.182 -0.054 2.165
131 HG21 VAL 18 HG21 VAL 18 5.105 -1.021 0.014
132 HG22 VAL 18 HG22 VAL 18 4.113 -2.086 1.017
133 HG23 VAL 18 HG23 VAL 18 5.162 -2.769 -0.231
134 HA PRO 19 HA PRO 19 8.015 -4.348 -2.743
135 HB2 PRO 19 HB2 PRO 19 7.153 -6.826 -1.403
136 HB3 PRO 19 HB3 PRO 19 8.573 -6.544 -2.424
137 HG2 PRO 19 HG2 PRO 19 8.808 -6.913 0.222
138 HG3 PRO 19 HG3 PRO 19 9.866 -5.804 -0.671
139 HD2 PRO 19 HD2 PRO 19 7.498 -5.165 1.060
140 HD3 PRO 19 HD3 PRO 19 9.063 -4.327 0.905
141 H PHE 20 H PHE 20 6.350 -5.066 -4.199
142 HA PHE 20 HA PHE 20 3.817 -4.045 -3.751
143 HB2 PHE 20 HB2 PHE 20 4.703 -4.602 -5.997
144 HB3 PHE 20 HB3 PHE 20 4.504 -6.312 -5.638
145 HD1 PHE 20 HD1 PHE 20 2.742 -3.157 -6.275
146 HD2 PHE 20 HD2 PHE 20 2.363 -7.361 -5.735
147 HE1 PHE 20 HE1 PHE 20 0.427 -3.051 -7.104
148 HE2 PHE 20 HE2 PHE 20 0.048 -7.264 -6.568
149 HZ PHE 20 HZ PHE 20 -0.923 -5.107 -7.251
150 H ASP 21 H ASP 21 4.959 -7.357 -3.247
151 HA ASP 21 HA ASP 21 2.515 -8.565 -2.685
152 HB2 ASP 21 HB2 ASP 21 3.900 -10.183 -1.303
153 HB3 ASP 21 HB3 ASP 21 4.379 -9.994 -2.987
154 H GLN 22 H GLN 22 4.814 -7.048 -0.395
155 HA GLN 22 HA GLN 22 3.224 -7.413 1.881
156 HB2 GLN 22 HB2 GLN 22 5.566 -6.754 2.073
157 HB3 GLN 22 HB3 GLN 22 5.220 -5.210 1.300
158 HG2 GLN 22 HG2 GLN 22 3.668 -4.703 3.188
159 HG3 GLN 22 HG3 GLN 22 4.251 -6.170 3.980
160 HE21 GLN 22 HE21 GLN 22 6.978 -5.820 3.018
161 HE22 GLN 22 HE22 GLN 22 7.658 -4.535 3.958
162 H CYS 23 H CYS 23 3.330 -4.794 -0.499
163 HA CYS 23 HA CYS 23 1.508 -3.087 0.827
164 HB2 CYS 23 HB2 CYS 23 2.962 -2.440 -1.178
165 HB3 CYS 23 HB3 CYS 23 1.770 -3.269 -2.183
166 H TYR 24 H TYR 24 1.033 -5.650 -1.556
167 HA TYR 24 HA TYR 24 -1.764 -5.359 -1.751
168 HB2 TYR 24 HB2 TYR 24 -0.231 -6.700 -3.306
169 HB3 TYR 24 HB3 TYR 24 -0.285 -7.977 -2.081
170 HD1 TYR 24 HD1 TYR 24 -2.378 -9.174 -1.632
171 HD2 TYR 24 HD2 TYR 24 -2.127 -6.232 -4.690
172 HE1 TYR 24 HE1 TYR 24 -4.476 -10.006 -2.596
173 HE2 TYR 24 HE2 TYR 24 -4.224 -7.055 -5.664
174 HH TYR 24 HH TYR 24 -6.311 -9.162 -4.037
175 H GLN 25 H GLN 25 0.292 -7.094 0.527
176 HA GLN 25 HA GLN 25 -1.881 -8.677 1.546
177 HB2 GLN 25 HB2 GLN 25 0.954 -8.236 2.476
178 HB3 GLN 25 HB3 GLN 25 -0.193 -9.187 3.411
179 HG2 GLN 25 HG2 GLN 25 0.666 -9.781 0.567
180 HG3 GLN 25 HG3 GLN 25 1.212 -10.624 2.014
181 HE21 GLN 25 HE21 GLN 25 -0.205 -11.995 3.096
182 HE22 GLN 25 HE22 GLN 25 -1.661 -12.577 2.360
183 H MET 26 H MET 26 -0.395 -5.630 2.411
184 HA MET 26 HA MET 26 -1.781 -5.480 4.928
185 HB2 MET 26 HB2 MET 26 0.326 -4.373 4.836
186 HB3 MET 26 HB3 MET 26 -0.105 -3.536 3.356
187 HG2 MET 26 HG2 MET 26 -1.752 -2.198 4.589
188 HG3 MET 26 HG3 MET 26 -1.304 -3.032 6.077
189 HE1 MET 26 HE1 MET 26 1.655 -0.352 3.741
190 HE2 MET 26 HE2 MET 26 0.082 -0.855 3.118
191 HE3 MET 26 HE3 MET 26 1.376 -2.037 3.312
192 H CYS 27 H CYS 27 -2.156 -3.989 1.719
193 HA CYS 27 HA CYS 27 -4.406 -2.430 2.672
194 HB2 CYS 27 HB2 CYS 27 -3.408 -2.637 -0.181
195 HB3 CYS 27 HB3 CYS 27 -4.384 -1.345 0.542
196 H SER 28 H SER 28 -4.083 -5.565 1.358
197 HA SER 28 HA SER 28 -6.327 -5.673 -0.297
198 HB2 SER 28 HB2 SER 28 -6.309 -8.192 0.289
199 HB3 SER 28 HB3 SER 28 -4.924 -7.496 -0.561
200 HG SER 28 HG SER 28 -3.706 -7.768 1.155
201 HA PRO 29 HA PRO 29 -8.964 -7.206 3.564
202 HB2 PRO 29 HB2 PRO 29 -7.568 -5.544 5.611
203 HB3 PRO 29 HB3 PRO 29 -8.361 -7.123 5.792
204 HG2 PRO 29 HG2 PRO 29 -5.716 -6.999 5.729
205 HG3 PRO 29 HG3 PRO 29 -6.572 -8.284 4.837
206 HD2 PRO 29 HD2 PRO 29 -5.326 -5.752 3.786
207 HD3 PRO 29 HD3 PRO 29 -5.318 -7.392 3.089
208 H LEU 30 H LEU 30 -7.509 -4.096 3.112
209 HA LEU 30 HA LEU 30 -9.770 -2.555 3.995
210 HB2 LEU 30 HB2 LEU 30 -7.305 -1.845 4.019
211 HB3 LEU 30 HB3 LEU 30 -7.458 -1.645 2.265
212 HG LEU 30 HG LEU 30 -9.002 -0.083 4.366
213 HD11 LEU 30 HD11 LEU 30 -7.598 1.803 3.552
214 HD12 LEU 30 HD12 LEU 30 -6.656 0.645 2.609
215 HD13 LEU 30 HD13 LEU 30 -6.674 0.540 4.370
216 HD21 LEU 30 HD21 LEU 30 -9.795 1.286 2.545
217 HD22 LEU 30 HD22 LEU 30 -10.219 -0.395 2.214
218 HD23 LEU 30 HD23 LEU 30 -8.859 0.355 1.377
219 H GLU 31 H GLU 31 -8.195 -3.121 0.871
220 HA GLU 31 HA GLU 31 -10.155 -1.780 -0.654
221 HB2 GLU 31 HB2 GLU 31 -7.828 -2.167 -1.431
222 HB3 GLU 31 HB3 GLU 31 -8.182 -3.895 -1.566
223 HG2 GLU 31 HG2 GLU 31 -9.924 -3.351 -3.250
224 HG3 GLU 31 HG3 GLU 31 -9.419 -1.658 -3.176
225 H ARG 32 H ARG 32 -9.703 -5.209 0.088
226 HA ARG 32 HA ARG 32 -12.516 -5.667 -0.424
227 HB2 ARG 32 HB2 ARG 32 -11.528 -6.032 -2.660
228 HB3 ARG 32 HB3 ARG 32 -10.371 -7.168 -1.962
229 HG2 ARG 32 HG2 ARG 32 -11.898 -8.667 -2.767
230 HG3 ARG 32 HG3 ARG 32 -12.574 -8.405 -1.162
231 HD2 ARG 32 HD2 ARG 32 -13.519 -7.282 -3.796
232 HD3 ARG 32 HD3 ARG 32 -14.384 -8.315 -2.668
233 HE ARG 32 HE ARG 32 -13.653 -5.579 -1.887
234 HH11 ARG 32 HH11 ARG 32 -16.072 -8.040 -2.481
235 HH12 ARG 32 HH12 ARG 32 -17.382 -7.075 -1.888
236 HH21 ARG 32 HH21 ARG 32 -15.393 -4.302 -1.110
237 HH22 ARG 32 HH22 ARG 32 -17.000 -4.954 -1.119
238 H SER 33 H SER 33 -9.945 -8.049 -0.452
239 HA SER 33 HA SER 33 -9.823 -8.688 2.262
240 HB2 SER 33 HB2 SER 33 -12.298 -9.230 1.781
241 HB3 SER 33 HB3 SER 33 -11.699 -10.572 0.807
242 HG SER 33 HG SER 33 -11.795 -11.555 2.678
Start of MODEL 47
1 HA ALA 1 HA ALA 1 -16.405 1.946 -0.106
2 HB1 ALA 1 HB1 ALA 1 -17.350 4.783 0.292
3 HB2 ALA 1 HB2 ALA 1 -18.045 3.616 -0.833
4 HB3 ALA 1 HB3 ALA 1 -16.392 4.182 -1.062
5 H SER 2 H SER 2 -14.245 2.610 -0.279
6 HA SER 2 HA SER 2 -13.062 4.378 1.657
7 HB2 SER 2 HB2 SER 2 -12.497 1.396 1.801
8 HB3 SER 2 HB3 SER 2 -11.444 2.609 2.523
9 HG SER 2 HG SER 2 -14.158 2.777 3.135
10 HA PRO 3 HA PRO 3 -11.113 3.391 -2.575
11 HB2 PRO 3 HB2 PRO 3 -11.509 5.810 -3.782
12 HB3 PRO 3 HB3 PRO 3 -12.657 4.457 -3.895
13 HG2 PRO 3 HG2 PRO 3 -12.735 6.896 -2.180
14 HG3 PRO 3 HG3 PRO 3 -14.063 6.054 -3.001
15 HD2 PRO 3 HD2 PRO 3 -13.526 5.805 -0.311
16 HD3 PRO 3 HD3 PRO 3 -14.297 4.509 -1.268
17 H GLN 4 H GLN 4 -10.954 6.546 -0.925
18 HA GLN 4 HA GLN 4 -8.427 7.225 -1.991
19 HB2 GLN 4 HB2 GLN 4 -9.913 8.279 0.411
20 HB3 GLN 4 HB3 GLN 4 -8.365 8.923 -0.113
21 HG2 GLN 4 HG2 GLN 4 -9.357 9.547 -2.277
22 HG3 GLN 4 HG3 GLN 4 -10.911 8.911 -1.740
23 HE21 GLN 4 HE21 GLN 4 -10.488 9.868 1.006
24 HE22 GLN 4 HE22 GLN 4 -10.759 11.577 0.948
25 H GLN 5 H GLN 5 -9.393 5.699 1.038
26 HA GLN 5 HA GLN 5 -6.819 5.694 2.191
27 HB2 GLN 5 HB2 GLN 5 -9.196 3.909 2.659
28 HB3 GLN 5 HB3 GLN 5 -7.691 3.717 3.540
29 HG2 GLN 5 HG2 GLN 5 -7.929 6.097 4.295
30 HG3 GLN 5 HG3 GLN 5 -9.541 6.095 3.582
31 HE21 GLN 5 HE21 GLN 5 -9.967 3.264 4.313
32 HE22 GLN 5 HE22 GLN 5 -10.291 3.273 6.014
33 H ALA 6 H ALA 6 -8.488 3.382 0.135
34 HA ALA 6 HA ALA 6 -6.465 1.414 0.172
35 HB1 ALA 6 HB1 ALA 6 -8.701 0.883 -0.600
36 HB2 ALA 6 HB2 ALA 6 -7.520 0.553 -1.869
37 HB3 ALA 6 HB3 ALA 6 -8.521 2.000 -1.954
38 H LYS 7 H LYS 7 -7.113 4.131 -2.012
39 HA LYS 7 HA LYS 7 -4.958 3.539 -3.762
40 HB2 LYS 7 HB2 LYS 7 -6.906 4.978 -4.384
41 HB3 LYS 7 HB3 LYS 7 -6.293 6.218 -3.302
42 HG2 LYS 7 HG2 LYS 7 -5.712 6.732 -5.593
43 HG3 LYS 7 HG3 LYS 7 -4.247 6.393 -4.635
44 HD2 LYS 7 HD2 LYS 7 -4.186 4.108 -5.547
45 HD3 LYS 7 HD3 LYS 7 -5.650 4.427 -6.483
46 HE2 LYS 7 HE2 LYS 7 -3.003 5.853 -6.796
47 HE3 LYS 7 HE3 LYS 7 -3.633 4.617 -7.882
48 HZ1 LYS 7 HZ1 LYS 7 -4.909 7.250 -7.360
49 HZ2 LYS 7 HZ2 LYS 7 -5.465 6.072 -8.434
50 HZ3 LYS 7 HZ3 LYS 7 -3.998 6.858 -8.728
51 H TYR 8 H TYR 8 -5.295 5.585 -0.904
52 HA TYR 8 HA TYR 8 -2.764 6.807 -1.015
53 HB2 TYR 8 HB2 TYR 8 -4.665 7.518 0.474
54 HB3 TYR 8 HB3 TYR 8 -4.322 6.110 1.480
55 HD1 TYR 8 HD1 TYR 8 -3.055 9.375 0.370
56 HD2 TYR 8 HD2 TYR 8 -2.468 6.077 2.984
57 HE1 TYR 8 HE1 TYR 8 -1.402 10.680 1.633
58 HE2 TYR 8 HE2 TYR 8 -0.814 7.368 4.256
59 HH TYR 8 HH TYR 8 0.686 9.270 3.929
60 H CYS 9 H CYS 9 -3.878 3.795 0.488
61 HA CYS 9 HA CYS 9 -1.455 3.102 1.720
62 HB2 CYS 9 HB2 CYS 9 -3.429 1.853 2.306
63 HB3 CYS 9 HB3 CYS 9 -3.661 1.322 0.632
64 H TYR 10 H TYR 10 -2.726 2.075 -1.446
65 HA TYR 10 HA TYR 10 -0.387 0.593 -2.078
66 HB2 TYR 10 HB2 TYR 10 -2.743 1.520 -3.729
67 HB3 TYR 10 HB3 TYR 10 -1.395 0.614 -4.430
68 HD1 TYR 10 HD1 TYR 10 -4.462 0.386 -2.528
69 HD2 TYR 10 HD2 TYR 10 -0.866 -1.651 -3.522
70 HE1 TYR 10 HE1 TYR 10 -5.467 -1.729 -1.808
71 HE2 TYR 10 HE2 TYR 10 -1.862 -3.762 -2.811
72 HH TYR 10 HH TYR 10 -5.113 -4.217 -2.329
73 H GLU 11 H GLU 11 -1.186 3.920 -2.374
74 HA GLU 11 HA GLU 11 0.886 4.516 -4.265
75 HB2 GLU 11 HB2 GLU 11 -1.064 5.978 -4.081
76 HB3 GLU 11 HB3 GLU 11 -0.683 6.312 -2.381
77 HG2 GLU 11 HG2 GLU 11 1.442 7.358 -3.127
78 HG3 GLU 11 HG3 GLU 11 0.900 7.140 -4.809
79 H GLN 12 H GLN 12 0.518 5.006 -0.726
80 HA GLN 12 HA GLN 12 3.182 6.076 -0.576
81 HB2 GLN 12 HB2 GLN 12 1.121 5.546 1.566
82 HB3 GLN 12 HB3 GLN 12 2.648 6.371 1.829
83 HG2 GLN 12 HG2 GLN 12 0.809 7.370 -0.279
84 HG3 GLN 12 HG3 GLN 12 0.448 7.708 1.406
85 HE21 GLN 12 HE21 GLN 12 3.717 7.419 0.277
86 HE22 GLN 12 HE22 GLN 12 4.121 9.094 0.419
87 H CYS 13 H CYS 13 1.811 2.950 -0.258
88 HA CYS 13 HA CYS 13 3.299 1.840 1.812
89 HB2 CYS 13 HB2 CYS 13 2.870 -0.353 0.765
90 HB3 CYS 13 HB3 CYS 13 1.422 0.660 0.710
91 H ASN 14 H ASN 14 4.140 1.804 -1.664
92 HA ASN 14 HA ASN 14 6.760 0.773 -1.148
93 HB2 ASN 14 HB2 ASN 14 5.678 0.429 -3.334
94 HB3 ASN 14 HB3 ASN 14 5.727 2.161 -3.637
95 HD21 ASN 14 HD21 ASN 14 7.769 -0.693 -3.165
96 HD22 ASN 14 HD22 ASN 14 9.131 -0.050 -4.022
97 H VAL 15 H VAL 15 5.414 3.977 -1.280
98 HA VAL 15 HA VAL 15 7.839 5.378 -1.676
99 HB VAL 15 HB VAL 15 5.261 6.303 -0.395
100 HG11 VAL 15 HG11 VAL 15 7.665 7.903 -1.275
101 HG12 VAL 15 HG12 VAL 15 7.087 7.699 0.378
102 HG13 VAL 15 HG13 VAL 15 6.116 8.590 -0.794
103 HG21 VAL 15 HG21 VAL 15 6.377 6.700 -3.176
104 HG22 VAL 15 HG22 VAL 15 4.906 7.448 -2.556
105 HG23 VAL 15 HG23 VAL 15 4.996 5.697 -2.740
106 H ASN 16 H ASN 16 6.102 4.254 1.191
107 HA ASN 16 HA ASN 16 7.953 5.376 3.059
108 HB2 ASN 16 HB2 ASN 16 6.096 2.986 3.373
109 HB3 ASN 16 HB3 ASN 16 6.935 3.818 4.686
110 HD21 ASN 16 HD21 ASN 16 6.517 6.468 3.594
111 HD22 ASN 16 HD22 ASN 16 4.838 6.828 3.828
112 H LYS 17 H LYS 17 7.410 1.890 2.623
113 HA LYS 17 HA LYS 17 9.672 1.298 1.148
114 HB2 LYS 17 HB2 LYS 17 10.976 2.001 3.113
115 HB3 LYS 17 HB3 LYS 17 10.115 0.810 4.100
116 HG2 LYS 17 HG2 LYS 17 10.992 -0.969 2.575
117 HG3 LYS 17 HG3 LYS 17 12.006 0.259 1.806
118 HD2 LYS 17 HD2 LYS 17 13.348 -0.855 3.440
119 HD3 LYS 17 HD3 LYS 17 12.968 0.744 4.114
120 HE2 LYS 17 HE2 LYS 17 12.731 -0.991 5.810
121 HE3 LYS 17 HE3 LYS 17 11.167 -0.263 5.446
122 HZ1 LYS 17 HZ1 LYS 17 10.609 -2.167 4.097
123 HZ2 LYS 17 HZ2 LYS 17 11.066 -2.689 5.639
124 HZ3 LYS 17 HZ3 LYS 17 12.139 -2.844 4.343
125 H VAL 18 H VAL 18 7.817 -0.003 0.314
126 HA VAL 18 HA VAL 18 8.058 -2.671 1.396
127 HB VAL 18 HB VAL 18 5.917 -3.152 2.033
128 HG11 VAL 18 HG11 VAL 18 5.757 -0.172 2.468
129 HG12 VAL 18 HG12 VAL 18 6.602 -1.317 3.508
130 HG13 VAL 18 HG13 VAL 18 4.852 -1.423 3.326
131 HG21 VAL 18 HG21 VAL 18 4.840 -0.994 0.238
132 HG22 VAL 18 HG22 VAL 18 3.886 -2.166 1.153
133 HG23 VAL 18 HG23 VAL 18 4.956 -2.712 -0.142
134 HA PRO 19 HA PRO 19 7.602 -3.582 -3.009
135 HB2 PRO 19 HB2 PRO 19 6.900 -6.289 -2.075
136 HB3 PRO 19 HB3 PRO 19 8.231 -5.778 -3.128
137 HG2 PRO 19 HG2 PRO 19 8.676 -6.609 -0.612
138 HG3 PRO 19 HG3 PRO 19 9.643 -5.329 -1.371
139 HD2 PRO 19 HD2 PRO 19 7.410 -5.075 0.621
140 HD3 PRO 19 HD3 PRO 19 8.942 -4.175 0.499
141 H PHE 20 H PHE 20 5.819 -4.099 -4.433
142 HA PHE 20 HA PHE 20 3.326 -3.221 -3.528
143 HB2 PHE 20 HB2 PHE 20 4.080 -3.249 -5.925
144 HB3 PHE 20 HB3 PHE 20 3.762 -4.981 -5.948
145 HD1 PHE 20 HD1 PHE 20 2.258 -1.652 -5.763
146 HD2 PHE 20 HD2 PHE 20 1.513 -5.836 -5.976
147 HE1 PHE 20 HE1 PHE 20 -0.094 -1.200 -6.315
148 HE2 PHE 20 HE2 PHE 20 -0.841 -5.390 -6.535
149 HZ PHE 20 HZ PHE 20 -1.648 -3.070 -6.704
150 H ASP 21 H ASP 21 4.539 -6.533 -3.887
151 HA ASP 21 HA ASP 21 2.145 -7.883 -3.352
152 HB2 ASP 21 HB2 ASP 21 3.565 -9.773 -2.600
153 HB3 ASP 21 HB3 ASP 21 4.088 -9.109 -4.144
154 H GLN 22 H GLN 22 4.539 -6.476 -1.172
155 HA GLN 22 HA GLN 22 3.243 -7.352 1.197
156 HB2 GLN 22 HB2 GLN 22 5.621 -6.742 1.184
157 HB3 GLN 22 HB3 GLN 22 5.195 -5.075 0.813
158 HG2 GLN 22 HG2 GLN 22 4.042 -4.876 2.944
159 HG3 GLN 22 HG3 GLN 22 4.415 -6.564 3.310
160 HE21 GLN 22 HE21 GLN 22 5.530 -6.003 5.171
161 HE22 GLN 22 HE22 GLN 22 7.106 -5.289 5.117
162 H CYS 23 H CYS 23 3.034 -4.437 -0.819
163 HA CYS 23 HA CYS 23 1.314 -2.920 0.772
164 HB2 CYS 23 HB2 CYS 23 1.062 -3.218 -2.245
165 HB3 CYS 23 HB3 CYS 23 0.474 -1.880 -1.271
166 H TYR 24 H TYR 24 0.611 -5.534 -1.500
167 HA TYR 24 HA TYR 24 -2.185 -5.525 -1.167
168 HB2 TYR 24 HB2 TYR 24 -0.961 -6.663 -3.055
169 HB3 TYR 24 HB3 TYR 24 -0.463 -7.913 -1.903
170 HD1 TYR 24 HD1 TYR 24 -3.357 -6.398 -3.613
171 HD2 TYR 24 HD2 TYR 24 -1.973 -9.622 -1.217
172 HE1 TYR 24 HE1 TYR 24 -5.464 -7.590 -4.009
173 HE2 TYR 24 HE2 TYR 24 -4.075 -10.824 -1.609
174 HH TYR 24 HH TYR 24 -6.271 -9.969 -3.996
175 H GLN 25 H GLN 25 0.390 -7.181 0.609
176 HA GLN 25 HA GLN 25 -1.344 -9.035 1.884
177 HB2 GLN 25 HB2 GLN 25 1.422 -8.059 2.611
178 HB3 GLN 25 HB3 GLN 25 0.556 -9.245 3.579
179 HG2 GLN 25 HG2 GLN 25 1.462 -9.564 0.707
180 HG3 GLN 25 HG3 GLN 25 2.050 -10.428 2.123
181 HE21 GLN 25 HE21 GLN 25 -0.489 -10.142 -0.201
182 HE22 GLN 25 HE22 GLN 25 -1.315 -11.606 0.214
183 H MET 26 H MET 26 -0.290 -5.795 2.682
184 HA MET 26 HA MET 26 -1.452 -5.902 5.318
185 HB2 MET 26 HB2 MET 26 0.527 -4.604 5.108
186 HB3 MET 26 HB3 MET 26 -0.095 -3.765 3.697
187 HG2 MET 26 HG2 MET 26 -1.736 -2.606 5.101
188 HG3 MET 26 HG3 MET 26 -1.104 -3.445 6.520
189 HE1 MET 26 HE1 MET 26 1.347 -2.267 3.645
190 HE2 MET 26 HE2 MET 26 1.541 -0.564 4.051
191 HE3 MET 26 HE3 MET 26 -0.021 -1.163 3.494
192 H CYS 27 H CYS 27 -2.282 -4.410 2.201
193 HA CYS 27 HA CYS 27 -4.671 -3.302 3.493
194 HB2 CYS 27 HB2 CYS 27 -3.195 -2.436 1.001
195 HB3 CYS 27 HB3 CYS 27 -4.802 -1.814 1.440
196 H SER 28 H SER 28 -4.053 -6.044 1.847
197 HA SER 28 HA SER 28 -6.138 -6.207 0.028
198 HB2 SER 28 HB2 SER 28 -6.207 -8.709 0.762
199 HB3 SER 28 HB3 SER 28 -4.769 -8.069 -0.043
200 HG SER 28 HG SER 28 -3.703 -8.034 1.870
201 HA PRO 29 HA PRO 29 -9.191 -7.315 3.695
202 HB2 PRO 29 HB2 PRO 29 -7.830 -5.819 5.875
203 HB3 PRO 29 HB3 PRO 29 -8.734 -7.344 5.949
204 HG2 PRO 29 HG2 PRO 29 -6.089 -7.390 6.114
205 HG3 PRO 29 HG3 PRO 29 -6.943 -8.603 5.125
206 HD2 PRO 29 HD2 PRO 29 -5.503 -6.106 4.232
207 HD3 PRO 29 HD3 PRO 29 -5.457 -7.746 3.534
208 H LEU 30 H LEU 30 -7.521 -4.479 2.908
209 HA LEU 30 HA LEU 30 -9.567 -2.642 3.872
210 HB2 LEU 30 HB2 LEU 30 -6.993 -2.251 3.876
211 HB3 LEU 30 HB3 LEU 30 -7.190 -1.951 2.142
212 HG LEU 30 HG LEU 30 -8.420 -0.337 4.403
213 HD11 LEU 30 HD11 LEU 30 -6.211 0.262 2.434
214 HD12 LEU 30 HD12 LEU 30 -6.048 0.054 4.178
215 HD13 LEU 30 HD13 LEU 30 -6.929 1.440 3.533
216 HD21 LEU 30 HD21 LEU 30 -8.545 0.188 1.429
217 HD22 LEU 30 HD22 LEU 30 -9.240 1.182 2.710
218 HD23 LEU 30 HD23 LEU 30 -9.881 -0.433 2.399
219 H GLU 31 H GLU 31 -7.970 -3.384 0.793
220 HA GLU 31 HA GLU 31 -10.010 -2.002 -0.700
221 HB2 GLU 31 HB2 GLU 31 -7.467 -2.121 -1.201
222 HB3 GLU 31 HB3 GLU 31 -7.832 -3.707 -1.892
223 HG2 GLU 31 HG2 GLU 31 -9.205 -1.182 -2.813
224 HG3 GLU 31 HG3 GLU 31 -7.690 -1.764 -3.513
225 H ARG 32 H ARG 32 -9.111 -5.370 -0.125
226 HA ARG 32 HA ARG 32 -11.226 -6.234 -1.967
227 HB2 ARG 32 HB2 ARG 32 -9.017 -7.798 -0.592
228 HB3 ARG 32 HB3 ARG 32 -10.305 -8.568 -1.512
229 HG2 ARG 32 HG2 ARG 32 -8.281 -6.599 -2.637
230 HG3 ARG 32 HG3 ARG 32 -8.184 -8.351 -2.794
231 HD2 ARG 32 HD2 ARG 32 -9.044 -7.558 -4.836
232 HD3 ARG 32 HD3 ARG 32 -10.434 -8.222 -3.993
233 HE ARG 32 HE ARG 32 -9.820 -5.328 -4.069
234 HH11 ARG 32 HH11 ARG 32 -12.122 -7.974 -4.303
235 HH12 ARG 32 HH12 ARG 32 -13.470 -6.924 -4.602
236 HH21 ARG 32 HH21 ARG 32 -11.589 -3.967 -4.453
237 HH22 ARG 32 HH22 ARG 32 -13.176 -4.653 -4.667
238 H SER 33 H SER 33 -12.664 -7.996 -1.258
239 HA SER 33 HA SER 33 -13.110 -8.138 1.620
240 HB2 SER 33 HB2 SER 33 -15.623 -7.694 1.124
241 HB3 SER 33 HB3 SER 33 -14.536 -6.305 1.189
242 HG SER 33 HG SER 33 -15.338 -7.655 -1.185
Start of MODEL 48
1 HA ALA 1 HA ALA 1 -16.310 1.921 -0.369
2 HB1 ALA 1 HB1 ALA 1 -17.307 2.598 -2.496
3 HB2 ALA 1 HB2 ALA 1 -18.474 3.597 -1.633
4 HB3 ALA 1 HB3 ALA 1 -18.500 1.845 -1.441
5 H SER 2 H SER 2 -14.437 2.806 -1.011
6 HA SER 2 HA SER 2 -14.110 5.559 -1.673
7 HB2 SER 2 HB2 SER 2 -14.354 5.689 0.860
8 HB3 SER 2 HB3 SER 2 -12.872 4.740 0.975
9 HG SER 2 HG SER 2 -13.109 7.235 -0.365
10 HA PRO 3 HA PRO 3 -10.927 2.551 -3.298
11 HB2 PRO 3 HB2 PRO 3 -11.133 4.461 -5.568
12 HB3 PRO 3 HB3 PRO 3 -11.098 2.682 -5.580
13 HG2 PRO 3 HG2 PRO 3 -13.367 4.000 -6.033
14 HG3 PRO 3 HG3 PRO 3 -13.348 2.501 -5.081
15 HD2 PRO 3 HD2 PRO 3 -13.584 5.343 -4.108
16 HD3 PRO 3 HD3 PRO 3 -14.391 3.859 -3.511
17 H GLN 4 H GLN 4 -11.088 5.963 -2.799
18 HA GLN 4 HA GLN 4 -8.394 6.579 -3.476
19 HB2 GLN 4 HB2 GLN 4 -10.416 8.022 -1.763
20 HB3 GLN 4 HB3 GLN 4 -8.805 8.651 -2.080
21 HG2 GLN 4 HG2 GLN 4 -9.270 8.781 -4.456
22 HG3 GLN 4 HG3 GLN 4 -10.839 8.016 -4.222
23 HE21 GLN 4 HE21 GLN 4 -9.557 10.362 -1.994
24 HE22 GLN 4 HE22 GLN 4 -10.661 11.635 -2.389
25 H GLN 5 H GLN 5 -9.985 5.477 -0.568
26 HA GLN 5 HA GLN 5 -7.848 5.920 1.228
27 HB2 GLN 5 HB2 GLN 5 -10.069 3.871 1.289
28 HB3 GLN 5 HB3 GLN 5 -8.912 4.077 2.591
29 HG2 GLN 5 HG2 GLN 5 -9.687 6.386 2.908
30 HG3 GLN 5 HG3 GLN 5 -10.865 6.162 1.617
31 HE21 GLN 5 HE21 GLN 5 -10.040 3.660 3.919
32 HE22 GLN 5 HE22 GLN 5 -11.561 3.654 4.745
33 H ALA 6 H ALA 6 -8.709 3.194 -0.812
34 HA ALA 6 HA ALA 6 -6.576 1.506 -0.027
35 HB1 ALA 6 HB1 ALA 6 -8.581 0.669 -1.187
36 HB2 ALA 6 HB2 ALA 6 -7.093 0.211 -2.017
37 HB3 ALA 6 HB3 ALA 6 -8.081 1.528 -2.645
38 H LYS 7 H LYS 7 -6.964 3.909 -2.571
39 HA LYS 7 HA LYS 7 -4.502 3.467 -3.859
40 HB2 LYS 7 HB2 LYS 7 -6.282 4.743 -4.925
41 HB3 LYS 7 HB3 LYS 7 -6.184 5.978 -3.679
42 HG2 LYS 7 HG2 LYS 7 -5.113 6.730 -5.708
43 HG3 LYS 7 HG3 LYS 7 -3.916 6.538 -4.400
44 HD2 LYS 7 HD2 LYS 7 -3.376 4.268 -5.350
45 HD3 LYS 7 HD3 LYS 7 -4.416 4.652 -6.729
46 HE2 LYS 7 HE2 LYS 7 -2.052 5.108 -7.242
47 HE3 LYS 7 HE3 LYS 7 -3.009 6.590 -7.248
48 HZ1 LYS 7 HZ1 LYS 7 -1.250 5.650 -5.052
49 HZ2 LYS 7 HZ2 LYS 7 -2.216 7.037 -4.985
50 HZ3 LYS 7 HZ3 LYS 7 -0.946 6.945 -6.097
51 H TYR 8 H TYR 8 -5.403 5.458 -1.092
52 HA TYR 8 HA TYR 8 -2.949 6.787 -0.745
53 HB2 TYR 8 HB2 TYR 8 -4.995 7.454 0.455
54 HB3 TYR 8 HB3 TYR 8 -4.962 5.937 1.355
55 HD1 TYR 8 HD1 TYR 8 -3.598 5.674 3.279
56 HD2 TYR 8 HD2 TYR 8 -3.192 9.141 0.851
57 HE1 TYR 8 HE1 TYR 8 -2.192 6.708 5.007
58 HE2 TYR 8 HE2 TYR 8 -1.787 10.190 2.576
59 HH TYR 8 HH TYR 8 -0.419 8.468 5.120
60 H CYS 9 H CYS 9 -4.127 3.676 0.439
61 HA CYS 9 HA CYS 9 -1.921 3.074 2.096
62 HB2 CYS 9 HB2 CYS 9 -4.117 1.902 2.216
63 HB3 CYS 9 HB3 CYS 9 -3.767 1.122 0.668
64 H TYR 10 H TYR 10 -2.667 2.136 -1.249
65 HA TYR 10 HA TYR 10 -0.248 0.721 -1.661
66 HB2 TYR 10 HB2 TYR 10 -2.322 1.861 -3.540
67 HB3 TYR 10 HB3 TYR 10 -0.849 1.094 -4.143
68 HD1 TYR 10 HD1 TYR 10 -4.160 0.544 -2.807
69 HD2 TYR 10 HD2 TYR 10 -0.392 -1.285 -3.540
70 HE1 TYR 10 HE1 TYR 10 -5.198 -1.671 -2.605
71 HE2 TYR 10 HE2 TYR 10 -1.417 -3.495 -3.339
72 HH TYR 10 HH TYR 10 -3.391 -4.521 -2.283
73 H GLU 11 H GLU 11 -1.092 4.103 -1.936
74 HA GLU 11 HA GLU 11 1.221 4.817 -3.411
75 HB2 GLU 11 HB2 GLU 11 -0.750 6.293 -3.331
76 HB3 GLU 11 HB3 GLU 11 -0.488 6.551 -1.595
77 HG2 GLU 11 HG2 GLU 11 1.626 7.646 -2.052
78 HG3 GLU 11 HG3 GLU 11 1.431 7.334 -3.791
79 H GLN 12 H GLN 12 0.446 4.985 0.084
80 HA GLN 12 HA GLN 12 2.970 6.151 0.687
81 HB2 GLN 12 HB2 GLN 12 0.879 4.948 2.510
82 HB3 GLN 12 HB3 GLN 12 2.306 5.802 3.055
83 HG2 GLN 12 HG2 GLN 12 0.460 7.120 1.140
84 HG3 GLN 12 HG3 GLN 12 0.041 7.029 2.842
85 HE21 GLN 12 HE21 GLN 12 3.349 7.282 1.810
86 HE22 GLN 12 HE22 GLN 12 3.597 8.916 2.334
87 H CYS 13 H CYS 13 1.832 2.859 0.493
88 HA CYS 13 HA CYS 13 3.801 1.685 2.146
89 HB2 CYS 13 HB2 CYS 13 3.197 -0.423 1.105
90 HB3 CYS 13 HB3 CYS 13 1.718 0.519 1.336
91 H ASN 14 H ASN 14 3.694 2.133 -1.386
92 HA ASN 14 HA ASN 14 6.403 1.274 -1.746
93 HB2 ASN 14 HB2 ASN 14 4.731 1.117 -3.563
94 HB3 ASN 14 HB3 ASN 14 4.641 2.872 -3.634
95 HD21 ASN 14 HD21 ASN 14 7.626 1.032 -3.188
96 HD22 ASN 14 HD22 ASN 14 8.313 1.476 -4.715
97 H VAL 15 H VAL 15 4.889 4.383 -1.117
98 HA VAL 15 HA VAL 15 7.088 6.011 -1.789
99 HB VAL 15 HB VAL 15 4.847 6.447 0.190
100 HG11 VAL 15 HG11 VAL 15 6.759 7.700 1.003
101 HG12 VAL 15 HG12 VAL 15 5.587 8.810 0.288
102 HG13 VAL 15 HG13 VAL 15 7.040 8.365 -0.606
103 HG21 VAL 15 HG21 VAL 15 4.073 8.077 -1.469
104 HG22 VAL 15 HG22 VAL 15 4.220 6.471 -2.180
105 HG23 VAL 15 HG23 VAL 15 5.451 7.691 -2.499
106 H ASN 16 H ASN 16 6.225 4.296 1.203
107 HA ASN 16 HA ASN 16 8.489 5.366 2.624
108 HB2 ASN 16 HB2 ASN 16 6.589 3.076 3.215
109 HB3 ASN 16 HB3 ASN 16 7.979 3.441 4.234
110 HD21 ASN 16 HD21 ASN 16 6.193 5.958 2.650
111 HD22 ASN 16 HD22 ASN 16 5.457 6.597 4.079
112 H LYS 17 H LYS 17 7.862 1.902 2.175
113 HA LYS 17 HA LYS 17 9.656 1.339 0.195
114 HB2 LYS 17 HB2 LYS 17 11.514 0.232 1.563
115 HB3 LYS 17 HB3 LYS 17 11.562 1.988 1.372
116 HG2 LYS 17 HG2 LYS 17 10.544 2.199 3.628
117 HG3 LYS 17 HG3 LYS 17 10.660 0.441 3.808
118 HD2 LYS 17 HD2 LYS 17 13.120 0.587 3.466
119 HD3 LYS 17 HD3 LYS 17 12.963 2.347 3.302
120 HE2 LYS 17 HE2 LYS 17 12.152 0.806 5.767
121 HE3 LYS 17 HE3 LYS 17 13.714 1.596 5.561
122 HZ1 LYS 17 HZ1 LYS 17 12.546 3.710 5.282
123 HZ2 LYS 17 HZ2 LYS 17 12.211 3.007 6.782
124 HZ3 LYS 17 HZ3 LYS 17 11.065 2.935 5.543
125 H VAL 18 H VAL 18 7.790 -0.097 -0.176
126 HA VAL 18 HA VAL 18 8.343 -2.669 1.091
127 HB VAL 18 HB VAL 18 6.257 -3.177 1.896
128 HG11 VAL 18 HG11 VAL 18 5.277 -1.354 3.140
129 HG12 VAL 18 HG12 VAL 18 6.112 -0.174 2.131
130 HG13 VAL 18 HG13 VAL 18 7.037 -1.246 3.180
131 HG21 VAL 18 HG21 VAL 18 5.025 -1.183 0.005
132 HG22 VAL 18 HG22 VAL 18 4.141 -2.243 1.111
133 HG23 VAL 18 HG23 VAL 18 5.102 -2.935 -0.203
134 HA PRO 19 HA PRO 19 7.732 -4.092 -3.132
135 HB2 PRO 19 HB2 PRO 19 7.043 -6.689 -1.926
136 HB3 PRO 19 HB3 PRO 19 8.378 -6.281 -3.019
137 HG2 PRO 19 HG2 PRO 19 8.810 -6.852 -0.430
138 HG3 PRO 19 HG3 PRO 19 9.775 -5.649 -1.307
139 HD2 PRO 19 HD2 PRO 19 7.520 -5.206 0.628
140 HD3 PRO 19 HD3 PRO 19 9.056 -4.326 0.440
141 H PHE 20 H PHE 20 5.960 -4.809 -4.499
142 HA PHE 20 HA PHE 20 3.492 -3.790 -3.725
143 HB2 PHE 20 HB2 PHE 20 4.096 -4.086 -6.093
144 HB3 PHE 20 HB3 PHE 20 3.974 -5.834 -5.907
145 HD1 PHE 20 HD1 PHE 20 1.862 -6.938 -5.912
146 HD2 PHE 20 HD2 PHE 20 2.069 -2.687 -5.907
147 HE1 PHE 20 HE1 PHE 20 -0.547 -6.822 -6.402
148 HE2 PHE 20 HE2 PHE 20 -0.338 -2.566 -6.399
149 HZ PHE 20 HZ PHE 20 -1.648 -4.635 -6.646
150 H ASP 21 H ASP 21 4.575 -7.169 -3.729
151 HA ASP 21 HA ASP 21 2.129 -8.357 -3.093
152 HB2 ASP 21 HB2 ASP 21 3.497 -10.245 -2.201
153 HB3 ASP 21 HB3 ASP 21 3.980 -9.727 -3.814
154 H GLN 22 H GLN 22 4.642 -7.052 -0.945
155 HA GLN 22 HA GLN 22 3.283 -7.727 1.458
156 HB2 GLN 22 HB2 GLN 22 5.666 -7.237 1.474
157 HB3 GLN 22 HB3 GLN 22 5.358 -5.592 0.920
158 HG2 GLN 22 HG2 GLN 22 5.813 -5.662 3.307
159 HG3 GLN 22 HG3 GLN 22 4.171 -5.094 2.973
160 HE21 GLN 22 HE21 GLN 22 5.095 -8.464 2.777
161 HE22 GLN 22 HE22 GLN 22 4.175 -8.987 4.146
162 H CYS 23 H CYS 23 3.291 -4.881 -0.640
163 HA CYS 23 HA CYS 23 1.669 -3.249 0.998
164 HB2 CYS 23 HB2 CYS 23 2.911 -2.469 -1.086
165 HB3 CYS 23 HB3 CYS 23 1.629 -3.231 -2.031
166 H TYR 24 H TYR 24 0.890 -5.610 -1.505
167 HA TYR 24 HA TYR 24 -1.890 -5.351 -1.461
168 HB2 TYR 24 HB2 TYR 24 -0.470 -6.721 -3.094
169 HB3 TYR 24 HB3 TYR 24 -0.428 -7.975 -1.846
170 HD1 TYR 24 HD1 TYR 24 -2.495 -9.150 -1.202
171 HD2 TYR 24 HD2 TYR 24 -2.432 -6.333 -4.385
172 HE1 TYR 24 HE1 TYR 24 -4.632 -10.034 -2.017
173 HE2 TYR 24 HE2 TYR 24 -4.572 -7.207 -5.210
174 HH TYR 24 HH TYR 24 -5.885 -9.287 -5.083
175 H GLN 25 H GLN 25 0.308 -7.158 0.638
176 HA GLN 25 HA GLN 25 -1.644 -8.729 1.920
177 HB2 GLN 25 HB2 GLN 25 0.750 -9.264 2.081
178 HB3 GLN 25 HB3 GLN 25 1.051 -7.747 2.923
179 HG2 GLN 25 HG2 GLN 25 -0.388 -8.535 4.783
180 HG3 GLN 25 HG3 GLN 25 -0.556 -10.081 3.955
181 HE21 GLN 25 HE21 GLN 25 0.592 -9.412 6.568
182 HE22 GLN 25 HE22 GLN 25 2.217 -10.019 6.539
183 H MET 26 H MET 26 -0.353 -5.519 2.610
184 HA MET 26 HA MET 26 -1.799 -5.322 5.091
185 HB2 MET 26 HB2 MET 26 0.329 -4.249 5.024
186 HB3 MET 26 HB3 MET 26 -0.069 -3.420 3.530
187 HG2 MET 26 HG2 MET 26 -1.717 -2.051 4.728
188 HG3 MET 26 HG3 MET 26 -1.299 -2.876 6.230
189 HE1 MET 26 HE1 MET 26 1.719 -0.247 3.906
190 HE2 MET 26 HE2 MET 26 0.136 -0.706 3.279
191 HE3 MET 26 HE3 MET 26 1.401 -1.921 3.462
192 H CYS 27 H CYS 27 -2.084 -3.920 1.844
193 HA CYS 27 HA CYS 27 -4.250 -2.209 2.669
194 HB2 CYS 27 HB2 CYS 27 -3.281 -2.775 -0.151
195 HB3 CYS 27 HB3 CYS 27 -4.272 -1.406 0.391
196 H SER 28 H SER 28 -4.086 -5.441 1.383
197 HA SER 28 HA SER 28 -6.502 -5.452 -0.015
198 HB2 SER 28 HB2 SER 28 -6.497 -7.961 0.382
199 HB3 SER 28 HB3 SER 28 -5.087 -7.279 -0.437
200 HG SER 28 HG SER 28 -3.871 -7.676 1.276
201 HA PRO 29 HA PRO 29 -8.704 -6.989 4.123
202 HB2 PRO 29 HB2 PRO 29 -7.059 -5.351 5.992
203 HB3 PRO 29 HB3 PRO 29 -7.841 -6.920 6.261
204 HG2 PRO 29 HG2 PRO 29 -5.222 -6.827 5.884
205 HG3 PRO 29 HG3 PRO 29 -6.191 -8.095 5.086
206 HD2 PRO 29 HD2 PRO 29 -5.061 -5.557 3.927
207 HD3 PRO 29 HD3 PRO 29 -5.134 -7.191 3.219
208 H LEU 30 H LEU 30 -7.374 -3.896 3.381
209 HA LEU 30 HA LEU 30 -9.499 -2.343 4.561
210 HB2 LEU 30 HB2 LEU 30 -7.058 -1.610 4.127
211 HB3 LEU 30 HB3 LEU 30 -7.542 -1.457 2.430
212 HG LEU 30 HG LEU 30 -8.625 0.151 4.768
213 HD11 LEU 30 HD11 LEU 30 -7.518 2.023 3.615
214 HD12 LEU 30 HD12 LEU 30 -6.863 0.890 2.431
215 HD13 LEU 30 HD13 LEU 30 -6.371 0.781 4.121
216 HD21 LEU 30 HD21 LEU 30 -10.361 -0.240 3.052
217 HD22 LEU 30 HD22 LEU 30 -9.273 0.412 1.825
218 HD23 LEU 30 HD23 LEU 30 -9.858 1.452 3.125
219 H GLU 31 H GLU 31 -8.390 -2.997 1.274
220 HA GLU 31 HA GLU 31 -10.631 -1.796 0.026
221 HB2 GLU 31 HB2 GLU 31 -8.367 -2.010 -1.000
222 HB3 GLU 31 HB3 GLU 31 -8.640 -3.750 -1.153
223 HG2 GLU 31 HG2 GLU 31 -10.552 -1.823 -2.430
224 HG3 GLU 31 HG3 GLU 31 -9.005 -2.192 -3.203
225 H ARG 32 H ARG 32 -9.916 -5.094 0.997
226 HA ARG 32 HA ARG 32 -12.633 -5.845 0.203
227 HB2 ARG 32 HB2 ARG 32 -11.016 -6.500 -1.629
228 HB3 ARG 32 HB3 ARG 32 -10.185 -7.519 -0.452
229 HG2 ARG 32 HG2 ARG 32 -11.609 -8.922 -1.793
230 HG3 ARG 32 HG3 ARG 32 -12.281 -8.832 -0.164
231 HD2 ARG 32 HD2 ARG 32 -13.807 -8.586 -2.294
232 HD3 ARG 32 HD3 ARG 32 -14.124 -7.644 -0.842
233 HE ARG 32 HE ARG 32 -12.399 -6.167 -2.481
234 HH11 ARG 32 HH11 ARG 32 -15.683 -7.386 -2.585
235 HH12 ARG 32 HH12 ARG 32 -16.273 -6.055 -3.528
236 HH21 ARG 32 HH21 ARG 32 -13.156 -4.420 -3.693
237 HH22 ARG 32 HH22 ARG 32 -14.832 -4.365 -4.172
238 H SER 33 H SER 33 -13.585 -7.357 1.545
239 HA SER 33 HA SER 33 -12.059 -8.067 3.934
240 HB2 SER 33 HB2 SER 33 -14.481 -8.926 4.585
241 HB3 SER 33 HB3 SER 33 -14.102 -7.202 4.644
242 HG SER 33 HG SER 33 -15.662 -8.635 2.812
Start of MODEL 49
1 HA ALA 1 HA ALA 1 -16.041 1.141 3.263
2 HB1 ALA 1 HB1 ALA 1 -13.182 0.335 2.740
3 HB2 ALA 1 HB2 ALA 1 -14.416 -0.688 3.474
4 HB3 ALA 1 HB3 ALA 1 -13.875 0.772 4.300
5 H SER 2 H SER 2 -13.221 1.926 1.233
6 HA SER 2 HA SER 2 -13.861 4.689 1.029
7 HB2 SER 2 HB2 SER 2 -13.148 4.645 3.431
8 HB3 SER 2 HB3 SER 2 -11.591 3.993 2.927
9 HG SER 2 HG SER 2 -11.724 6.346 3.248
10 HA PRO 3 HA PRO 3 -11.160 2.759 -2.221
11 HB2 PRO 3 HB2 PRO 3 -12.339 5.075 -3.683
12 HB3 PRO 3 HB3 PRO 3 -12.116 3.393 -4.214
13 HG2 PRO 3 HG2 PRO 3 -14.522 4.263 -3.519
14 HG3 PRO 3 HG3 PRO 3 -13.971 2.640 -3.052
15 HD2 PRO 3 HD2 PRO 3 -14.191 5.112 -1.349
16 HD3 PRO 3 HD3 PRO 3 -14.506 3.399 -0.929
17 H GLN 4 H GLN 4 -11.437 6.094 -1.149
18 HA GLN 4 HA GLN 4 -9.102 7.043 -2.460
19 HB2 GLN 4 HB2 GLN 4 -10.615 8.098 -0.075
20 HB3 GLN 4 HB3 GLN 4 -9.200 8.898 -0.736
21 HG2 GLN 4 HG2 GLN 4 -10.353 9.227 -2.865
22 HG3 GLN 4 HG3 GLN 4 -11.766 8.379 -2.238
23 HE21 GLN 4 HE21 GLN 4 -9.856 10.503 -0.247
24 HE22 GLN 4 HE22 GLN 4 -11.038 11.761 -0.117
25 H GLN 5 H GLN 5 -9.683 5.967 0.885
26 HA GLN 5 HA GLN 5 -7.024 6.419 1.716
27 HB2 GLN 5 HB2 GLN 5 -7.557 5.393 3.744
28 HB3 GLN 5 HB3 GLN 5 -9.090 6.057 3.205
29 HG2 GLN 5 HG2 GLN 5 -9.766 3.854 2.401
30 HG3 GLN 5 HG3 GLN 5 -8.221 3.190 2.915
31 HE21 GLN 5 HE21 GLN 5 -8.150 4.807 5.354
32 HE22 GLN 5 HE22 GLN 5 -9.293 4.083 6.433
33 H ALA 6 H ALA 6 -8.637 3.668 0.300
34 HA ALA 6 HA ALA 6 -6.499 1.837 0.581
35 HB1 ALA 6 HB1 ALA 6 -7.608 0.531 -1.163
36 HB2 ALA 6 HB2 ALA 6 -8.686 1.886 -1.489
37 HB3 ALA 6 HB3 ALA 6 -8.749 1.066 0.073
38 H LYS 7 H LYS 7 -7.412 4.114 -1.953
39 HA LYS 7 HA LYS 7 -5.423 3.399 -3.813
40 HB2 LYS 7 HB2 LYS 7 -7.446 4.842 -4.250
41 HB3 LYS 7 HB3 LYS 7 -6.630 6.145 -3.402
42 HG2 LYS 7 HG2 LYS 7 -6.387 6.466 -5.761
43 HG3 LYS 7 HG3 LYS 7 -4.801 6.044 -5.066
44 HD2 LYS 7 HD2 LYS 7 -5.008 3.765 -5.859
45 HD3 LYS 7 HD3 LYS 7 -6.670 4.049 -6.389
46 HE2 LYS 7 HE2 LYS 7 -4.173 5.320 -7.528
47 HE3 LYS 7 HE3 LYS 7 -5.173 4.096 -8.312
48 HZ1 LYS 7 HZ1 LYS 7 -7.020 5.699 -8.280
49 HZ2 LYS 7 HZ2 LYS 7 -5.700 6.254 -9.178
50 HZ3 LYS 7 HZ3 LYS 7 -5.986 6.871 -7.633
51 H TYR 8 H TYR 8 -5.472 5.657 -1.109
52 HA TYR 8 HA TYR 8 -2.874 6.702 -1.532
53 HB2 TYR 8 HB2 TYR 8 -4.604 7.826 -0.137
54 HB3 TYR 8 HB3 TYR 8 -4.407 6.547 1.066
55 HD1 TYR 8 HD1 TYR 8 -2.546 9.226 -0.705
56 HD2 TYR 8 HD2 TYR 8 -2.757 6.704 2.709
57 HE1 TYR 8 HE1 TYR 8 -0.696 10.476 0.324
58 HE2 TYR 8 HE2 TYR 8 -0.907 7.944 3.747
59 HH TYR 8 HH TYR 8 0.219 10.932 2.527
60 H CYS 9 H CYS 9 -4.130 3.995 0.355
61 HA CYS 9 HA CYS 9 -1.799 3.288 1.729
62 HB2 CYS 9 HB2 CYS 9 -4.085 2.276 2.084
63 HB3 CYS 9 HB3 CYS 9 -3.836 1.333 0.608
64 H TYR 10 H TYR 10 -2.949 2.260 -1.466
65 HA TYR 10 HA TYR 10 -0.688 0.635 -2.043
66 HB2 TYR 10 HB2 TYR 10 -2.889 1.819 -3.739
67 HB3 TYR 10 HB3 TYR 10 -1.540 0.940 -4.466
68 HD1 TYR 10 HD1 TYR 10 -4.681 0.647 -2.674
69 HD2 TYR 10 HD2 TYR 10 -1.166 -1.433 -3.867
70 HE1 TYR 10 HE1 TYR 10 -5.807 -1.489 -2.254
71 HE2 TYR 10 HE2 TYR 10 -2.284 -3.567 -3.455
72 HH TYR 10 HH TYR 10 -4.137 -4.448 -2.110
73 H GLU 11 H GLU 11 -1.235 4.027 -2.210
74 HA GLU 11 HA GLU 11 0.953 4.519 -4.004
75 HB2 GLU 11 HB2 GLU 11 -0.922 6.089 -3.942
76 HB3 GLU 11 HB3 GLU 11 -0.606 6.423 -2.228
77 HG2 GLU 11 HG2 GLU 11 1.593 7.343 -2.848
78 HG3 GLU 11 HG3 GLU 11 1.188 7.083 -4.560
79 H GLN 12 H GLN 12 0.419 4.891 -0.480
80 HA GLN 12 HA GLN 12 3.058 5.952 -0.172
81 HB2 GLN 12 HB2 GLN 12 2.546 6.230 2.163
82 HB3 GLN 12 HB3 GLN 12 1.198 6.796 1.195
83 HG2 GLN 12 HG2 GLN 12 -0.167 5.066 1.851
84 HG3 GLN 12 HG3 GLN 12 1.188 4.025 2.270
85 HE21 GLN 12 HE21 GLN 12 2.568 6.093 3.775
86 HE22 GLN 12 HE22 GLN 12 1.683 6.290 5.251
87 H CYS 13 H CYS 13 1.763 2.802 -0.164
88 HA CYS 13 HA CYS 13 3.239 1.588 1.879
89 HB2 CYS 13 HB2 CYS 13 2.834 -0.530 0.648
90 HB3 CYS 13 HB3 CYS 13 1.369 0.455 0.759
91 H ASN 14 H ASN 14 4.034 1.665 -1.618
92 HA ASN 14 HA ASN 14 6.690 0.744 -1.145
93 HB2 ASN 14 HB2 ASN 14 7.094 1.396 -3.545
94 HB3 ASN 14 HB3 ASN 14 5.776 0.268 -3.287
95 HD21 ASN 14 HD21 ASN 14 5.736 3.820 -2.907
96 HD22 ASN 14 HD22 ASN 14 4.542 4.083 -4.133
97 H VAL 15 H VAL 15 5.220 3.873 -1.173
98 HA VAL 15 HA VAL 15 7.512 5.470 -1.518
99 HB VAL 15 HB VAL 15 4.913 5.996 -0.081
100 HG11 VAL 15 HG11 VAL 15 6.641 7.360 0.976
101 HG12 VAL 15 HG12 VAL 15 5.536 8.357 0.031
102 HG13 VAL 15 HG13 VAL 15 7.134 7.968 -0.604
103 HG21 VAL 15 HG21 VAL 15 4.768 5.806 -2.512
104 HG22 VAL 15 HG22 VAL 15 6.026 7.028 -2.690
105 HG23 VAL 15 HG23 VAL 15 4.467 7.464 -1.993
106 H ASN 16 H ASN 16 5.988 4.091 1.374
107 HA ASN 16 HA ASN 16 7.879 5.208 3.195
108 HB2 ASN 16 HB2 ASN 16 6.105 2.757 3.505
109 HB3 ASN 16 HB3 ASN 16 6.986 3.562 4.809
110 HD21 ASN 16 HD21 ASN 16 6.468 6.228 3.758
111 HD22 ASN 16 HD22 ASN 16 4.807 6.555 4.111
112 H LYS 17 H LYS 17 7.439 1.720 2.640
113 HA LYS 17 HA LYS 17 9.708 1.254 1.151
114 HB2 LYS 17 HB2 LYS 17 10.901 2.032 3.226
115 HB3 LYS 17 HB3 LYS 17 10.233 0.619 4.057
116 HG2 LYS 17 HG2 LYS 17 11.414 -0.870 2.539
117 HG3 LYS 17 HG3 LYS 17 12.042 0.516 1.639
118 HD2 LYS 17 HD2 LYS 17 13.260 1.298 3.568
119 HD3 LYS 17 HD3 LYS 17 12.573 0.014 4.586
120 HE2 LYS 17 HE2 LYS 17 13.673 -1.657 3.126
121 HE3 LYS 17 HE3 LYS 17 14.395 -0.347 2.196
122 HZ1 LYS 17 HZ1 LYS 17 14.854 -0.893 5.077
123 HZ2 LYS 17 HZ2 LYS 17 15.528 0.390 4.205
124 HZ3 LYS 17 HZ3 LYS 17 15.942 -1.202 3.820
125 H VAL 18 H VAL 18 7.968 -0.152 0.274
126 HA VAL 18 HA VAL 18 8.221 -2.792 1.469
127 HB VAL 18 HB VAL 18 5.998 -3.335 1.775
128 HG11 VAL 18 HG11 VAL 18 6.566 -1.637 3.427
129 HG12 VAL 18 HG12 VAL 18 4.847 -1.613 3.031
130 HG13 VAL 18 HG13 VAL 18 5.922 -0.380 2.368
131 HG21 VAL 18 HG21 VAL 18 5.262 -2.761 -0.455
132 HG22 VAL 18 HG22 VAL 18 5.168 -1.055 -0.009
133 HG23 VAL 18 HG23 VAL 18 4.088 -2.229 0.752
134 HA PRO 19 HA PRO 19 8.130 -3.918 -2.905
135 HB2 PRO 19 HB2 PRO 19 7.435 -6.611 -1.987
136 HB3 PRO 19 HB3 PRO 19 8.889 -6.069 -2.845
137 HG2 PRO 19 HG2 PRO 19 8.960 -6.852 -0.264
138 HG3 PRO 19 HG3 PRO 19 10.021 -5.584 -0.911
139 HD2 PRO 19 HD2 PRO 19 7.506 -5.291 0.709
140 HD3 PRO 19 HD3 PRO 19 9.045 -4.400 0.816
141 H PHE 20 H PHE 20 6.480 -4.624 -4.450
142 HA PHE 20 HA PHE 20 3.961 -3.630 -3.867
143 HB2 PHE 20 HB2 PHE 20 4.846 -4.006 -6.174
144 HB3 PHE 20 HB3 PHE 20 4.514 -5.724 -5.976
145 HD1 PHE 20 HD1 PHE 20 2.268 -6.579 -6.073
146 HD2 PHE 20 HD2 PHE 20 3.022 -2.397 -6.308
147 HE1 PHE 20 HE1 PHE 20 -0.047 -6.208 -6.818
148 HE2 PHE 20 HE2 PHE 20 0.708 -2.018 -7.050
149 HZ PHE 20 HZ PHE 20 -0.831 -3.924 -7.305
150 H ASP 21 H ASP 21 5.061 -6.985 -3.690
151 HA ASP 21 HA ASP 21 2.572 -8.200 -3.295
152 HB2 ASP 21 HB2 ASP 21 3.843 -10.064 -2.271
153 HB3 ASP 21 HB3 ASP 21 4.518 -9.543 -3.811
154 H GLN 22 H GLN 22 4.857 -6.846 -0.923
155 HA GLN 22 HA GLN 22 3.273 -7.483 1.337
156 HB2 GLN 22 HB2 GLN 22 5.637 -6.890 1.578
157 HB3 GLN 22 HB3 GLN 22 5.305 -5.264 0.988
158 HG2 GLN 22 HG2 GLN 22 3.803 -4.918 2.926
159 HG3 GLN 22 HG3 GLN 22 4.287 -6.505 3.534
160 HE21 GLN 22 HE21 GLN 22 7.042 -6.214 2.648
161 HE22 GLN 22 HE22 GLN 22 7.784 -5.100 3.748
162 H CYS 23 H CYS 23 3.385 -4.739 -0.858
163 HA CYS 23 HA CYS 23 1.658 -3.007 0.524
164 HB2 CYS 23 HB2 CYS 23 2.967 -2.372 -1.540
165 HB3 CYS 23 HB3 CYS 23 1.810 -3.305 -2.492
166 H TYR 24 H TYR 24 0.972 -5.577 -1.806
167 HA TYR 24 HA TYR 24 -1.819 -5.285 -1.802
168 HB2 TYR 24 HB2 TYR 24 -0.619 -6.658 -3.478
169 HB3 TYR 24 HB3 TYR 24 -0.207 -7.828 -2.212
170 HD1 TYR 24 HD1 TYR 24 -1.801 -9.426 -1.447
171 HD2 TYR 24 HD2 TYR 24 -2.971 -6.401 -4.194
172 HE1 TYR 24 HE1 TYR 24 -3.923 -10.598 -1.824
173 HE2 TYR 24 HE2 TYR 24 -5.094 -7.567 -4.584
174 HH TYR 24 HH TYR 24 -6.225 -10.046 -2.588
175 H GLN 25 H GLN 25 0.341 -7.066 0.362
176 HA GLN 25 HA GLN 25 -1.847 -8.538 1.509
177 HB2 GLN 25 HB2 GLN 25 1.076 -8.340 2.228
178 HB3 GLN 25 HB3 GLN 25 -0.068 -9.253 3.205
179 HG2 GLN 25 HG2 GLN 25 0.566 -9.763 0.286
180 HG3 GLN 25 HG3 GLN 25 1.105 -10.727 1.657
181 HE21 GLN 25 HE21 GLN 25 -1.421 -10.532 3.072
182 HE22 GLN 25 HE22 GLN 25 -2.534 -11.552 2.227
183 H MET 26 H MET 26 -0.316 -5.511 2.188
184 HA MET 26 HA MET 26 -1.538 -5.387 4.818
185 HB2 MET 26 HB2 MET 26 0.642 -4.383 4.620
186 HB3 MET 26 HB3 MET 26 0.121 -3.419 3.250
187 HG2 MET 26 HG2 MET 26 -1.420 -2.182 4.731
188 HG3 MET 26 HG3 MET 26 -0.814 -3.115 6.100
189 HE1 MET 26 HE1 MET 26 0.203 -0.672 3.201
190 HE2 MET 26 HE2 MET 26 1.492 -1.872 3.107
191 HE3 MET 26 HE3 MET 26 1.850 -0.236 3.653
192 H CYS 27 H CYS 27 -1.920 -3.805 1.648
193 HA CYS 27 HA CYS 27 -4.066 -2.161 2.666
194 HB2 CYS 27 HB2 CYS 27 -3.118 -2.464 -0.203
195 HB3 CYS 27 HB3 CYS 27 -4.163 -1.185 0.445
196 H SER 28 H SER 28 -3.885 -5.221 0.951
197 HA SER 28 HA SER 28 -6.428 -5.090 -0.244
198 HB2 SER 28 HB2 SER 28 -4.761 -6.776 -0.931
199 HB3 SER 28 HB3 SER 28 -5.027 -7.632 0.597
200 HG SER 28 HG SER 28 -7.059 -8.151 -0.035
201 HA PRO 29 HA PRO 29 -8.154 -7.417 3.767
202 HB2 PRO 29 HB2 PRO 29 -6.244 -6.093 5.647
203 HB3 PRO 29 HB3 PRO 29 -7.052 -7.669 5.789
204 HG2 PRO 29 HG2 PRO 29 -4.509 -7.593 5.086
205 HG3 PRO 29 HG3 PRO 29 -5.628 -8.688 4.234
206 HD2 PRO 29 HD2 PRO 29 -4.508 -6.046 3.335
207 HD3 PRO 29 HD3 PRO 29 -4.787 -7.534 2.400
208 H LEU 30 H LEU 30 -6.690 -4.234 3.803
209 HA LEU 30 HA LEU 30 -8.671 -2.879 5.294
210 HB2 LEU 30 HB2 LEU 30 -6.578 -1.788 5.062
211 HB3 LEU 30 HB3 LEU 30 -6.579 -2.012 3.303
212 HG LEU 30 HG LEU 30 -8.432 -0.383 3.118
213 HD11 LEU 30 HD11 LEU 30 -9.391 -0.642 5.346
214 HD12 LEU 30 HD12 LEU 30 -8.999 1.041 5.005
215 HD13 LEU 30 HD13 LEU 30 -7.954 0.092 6.059
216 HD21 LEU 30 HD21 LEU 30 -6.148 0.346 2.777
217 HD22 LEU 30 HD22 LEU 30 -5.939 0.597 4.511
218 HD23 LEU 30 HD23 LEU 30 -7.061 1.611 3.603
219 H GLU 31 H GLU 31 -8.134 -3.242 1.837
220 HA GLU 31 HA GLU 31 -10.411 -1.657 1.126
221 HB2 GLU 31 HB2 GLU 31 -8.256 -1.849 -0.178
222 HB3 GLU 31 HB3 GLU 31 -8.777 -3.470 -0.659
223 HG2 GLU 31 HG2 GLU 31 -10.408 -0.999 -1.245
224 HG3 GLU 31 HG3 GLU 31 -9.160 -1.613 -2.336
225 H ARG 32 H ARG 32 -9.661 -5.125 1.004
226 HA ARG 32 HA ARG 32 -12.289 -5.731 -0.047
227 HB2 ARG 32 HB2 ARG 32 -9.993 -7.509 0.814
228 HB3 ARG 32 HB3 ARG 32 -11.562 -8.165 0.356
229 HG2 ARG 32 HG2 ARG 32 -9.752 -6.505 -1.440
230 HG3 ARG 32 HG3 ARG 32 -9.916 -8.258 -1.499
231 HD2 ARG 32 HD2 ARG 32 -11.221 -7.311 -3.266
232 HD3 ARG 32 HD3 ARG 32 -12.340 -7.941 -2.064
233 HE ARG 32 HE ARG 32 -11.633 -5.073 -2.234
234 HH11 ARG 32 HH11 ARG 32 -14.041 -7.623 -1.985
235 HH12 ARG 32 HH12 ARG 32 -15.368 -6.517 -1.845
236 HH21 ARG 32 HH21 ARG 32 -13.362 -3.631 -2.012
237 HH22 ARG 32 HH22 ARG 32 -14.984 -4.244 -1.847
238 H SER 33 H SER 33 -13.829 -5.210 1.364
239 HA SER 33 HA SER 33 -13.743 -6.550 3.991
240 HB2 SER 33 HB2 SER 33 -15.245 -3.993 3.336
241 HB3 SER 33 HB3 SER 33 -15.038 -4.729 4.925
242 HG SER 33 HG SER 33 -13.053 -3.534 3.286
Start of MODEL 50
1 HA ALA 1 HA ALA 1 -16.165 3.006 0.974
2 HB1 ALA 1 HB1 ALA 1 -18.331 4.614 -0.372
3 HB2 ALA 1 HB2 ALA 1 -18.404 2.890 -0.003
4 HB3 ALA 1 HB3 ALA 1 -17.223 3.496 -1.164
5 H SER 2 H SER 2 -14.346 3.771 0.109
6 HA SER 2 HA SER 2 -14.012 6.415 -0.890
7 HB2 SER 2 HB2 SER 2 -14.002 6.843 1.621
8 HB3 SER 2 HB3 SER 2 -12.548 5.852 1.708
9 HG SER 2 HG SER 2 -12.884 8.247 0.215
10 HA PRO 3 HA PRO 3 -11.133 3.077 -2.529
11 HB2 PRO 3 HB2 PRO 3 -11.573 4.978 -4.802
12 HB3 PRO 3 HB3 PRO 3 -11.414 3.206 -4.830
13 HG2 PRO 3 HG2 PRO 3 -13.803 4.284 -5.066
14 HG3 PRO 3 HG3 PRO 3 -13.573 2.882 -4.000
15 HD2 PRO 3 HD2 PRO 3 -13.892 5.782 -3.242
16 HD3 PRO 3 HD3 PRO 3 -14.536 4.314 -2.443
17 H GLN 4 H GLN 4 -11.159 6.574 -2.531
18 HA GLN 4 HA GLN 4 -8.533 7.117 -3.266
19 HB2 GLN 4 HB2 GLN 4 -10.191 8.862 -3.106
20 HB3 GLN 4 HB3 GLN 4 -10.408 8.559 -1.389
21 HG2 GLN 4 HG2 GLN 4 -8.167 9.363 -0.934
22 HG3 GLN 4 HG3 GLN 4 -7.879 9.610 -2.657
23 HE21 GLN 4 HE21 GLN 4 -7.812 11.565 -0.487
24 HE22 GLN 4 HE22 GLN 4 -8.967 12.781 -0.911
25 H GLN 5 H GLN 5 -9.887 6.139 -0.179
26 HA GLN 5 HA GLN 5 -7.532 6.649 1.337
27 HB2 GLN 5 HB2 GLN 5 -9.944 4.934 1.903
28 HB3 GLN 5 HB3 GLN 5 -8.609 5.101 3.032
29 HG2 GLN 5 HG2 GLN 5 -9.002 7.532 3.116
30 HG3 GLN 5 HG3 GLN 5 -10.381 7.333 2.037
31 HE21 GLN 5 HE21 GLN 5 -11.190 4.805 3.269
32 HE22 GLN 5 HE22 GLN 5 -11.900 5.227 4.790
33 H ALA 6 H ALA 6 -8.853 3.786 -0.226
34 HA ALA 6 HA ALA 6 -6.823 2.004 0.597
35 HB1 ALA 6 HB1 ALA 6 -7.542 0.606 -1.305
36 HB2 ALA 6 HB2 ALA 6 -8.566 1.923 -1.866
37 HB3 ALA 6 HB3 ALA 6 -8.898 1.146 -0.318
38 H LYS 7 H LYS 7 -7.167 4.150 -2.173
39 HA LYS 7 HA LYS 7 -4.824 3.341 -3.516
40 HB2 LYS 7 HB2 LYS 7 -6.639 4.698 -4.547
41 HB3 LYS 7 HB3 LYS 7 -6.151 6.062 -3.550
42 HG2 LYS 7 HG2 LYS 7 -5.288 6.271 -5.813
43 HG3 LYS 7 HG3 LYS 7 -3.966 6.103 -4.628
44 HD2 LYS 7 HD2 LYS 7 -3.705 3.752 -5.207
45 HD3 LYS 7 HD3 LYS 7 -5.102 3.824 -6.287
46 HE2 LYS 7 HE2 LYS 7 -2.461 5.253 -6.626
47 HE3 LYS 7 HE3 LYS 7 -3.082 3.934 -7.619
48 HZ1 LYS 7 HZ1 LYS 7 -4.937 5.423 -8.252
49 HZ2 LYS 7 HZ2 LYS 7 -3.425 5.979 -8.762
50 HZ3 LYS 7 HZ3 LYS 7 -4.174 6.688 -7.424
51 H TYR 8 H TYR 8 -5.409 5.569 -0.876
52 HA TYR 8 HA TYR 8 -2.913 6.861 -0.871
53 HB2 TYR 8 HB2 TYR 8 -4.895 7.627 0.437
54 HB3 TYR 8 HB3 TYR 8 -4.662 6.256 1.526
55 HD1 TYR 8 HD1 TYR 8 -3.207 9.430 0.356
56 HD2 TYR 8 HD2 TYR 8 -3.001 6.315 3.242
57 HE1 TYR 8 HE1 TYR 8 -1.669 10.792 1.703
58 HE2 TYR 8 HE2 TYR 8 -1.459 7.667 4.600
59 HH TYR 8 HH TYR 8 -0.956 10.967 4.070
60 H CYS 9 H CYS 9 -4.033 3.907 0.753
61 HA CYS 9 HA CYS 9 -1.652 3.350 2.136
62 HB2 CYS 9 HB2 CYS 9 -3.634 2.081 2.703
63 HB3 CYS 9 HB3 CYS 9 -3.759 1.435 1.057
64 H TYR 10 H TYR 10 -2.753 2.242 -1.047
65 HA TYR 10 HA TYR 10 -0.420 0.716 -1.566
66 HB2 TYR 10 HB2 TYR 10 -2.685 1.685 -3.318
67 HB3 TYR 10 HB3 TYR 10 -1.314 0.783 -3.974
68 HD1 TYR 10 HD1 TYR 10 -4.382 0.573 -1.992
69 HD2 TYR 10 HD2 TYR 10 -0.929 -1.536 -3.308
70 HE1 TYR 10 HE1 TYR 10 -5.442 -1.543 -1.370
71 HE2 TYR 10 HE2 TYR 10 -1.986 -3.653 -2.691
72 HH TYR 10 HH TYR 10 -5.284 -3.928 -1.952
73 H GLU 11 H GLU 11 -1.280 4.059 -2.191
74 HA GLU 11 HA GLU 11 0.878 4.587 -3.949
75 HB2 GLU 11 HB2 GLU 11 -1.056 6.095 -3.818
76 HB3 GLU 11 HB3 GLU 11 -0.658 6.478 -2.130
77 HG2 GLU 11 HG2 GLU 11 1.483 7.447 -2.902
78 HG3 GLU 11 HG3 GLU 11 0.970 7.150 -4.580
79 H GLN 12 H GLN 12 0.481 5.018 -0.426
80 HA GLN 12 HA GLN 12 3.097 6.204 -0.241
81 HB2 GLN 12 HB2 GLN 12 1.139 5.501 1.955
82 HB3 GLN 12 HB3 GLN 12 2.578 6.485 2.128
83 HG2 GLN 12 HG2 GLN 12 0.519 7.256 0.133
84 HG3 GLN 12 HG3 GLN 12 0.251 7.586 1.835
85 HE21 GLN 12 HE21 GLN 12 3.448 7.629 0.500
86 HE22 GLN 12 HE22 GLN 12 3.671 9.345 0.564
87 H CYS 13 H CYS 13 1.837 3.003 0.059
88 HA CYS 13 HA CYS 13 3.552 2.018 2.060
89 HB2 CYS 13 HB2 CYS 13 3.003 -0.229 1.207
90 HB3 CYS 13 HB3 CYS 13 1.552 0.775 1.307
91 H ASN 14 H ASN 14 3.926 1.913 -1.492
92 HA ASN 14 HA ASN 14 6.567 0.836 -1.314
93 HB2 ASN 14 HB2 ASN 14 6.745 1.322 -3.711
94 HB3 ASN 14 HB3 ASN 14 5.233 0.511 -3.344
95 HD21 ASN 14 HD21 ASN 14 3.255 1.714 -3.564
96 HD22 ASN 14 HD22 ASN 14 3.226 3.228 -4.400
97 H VAL 15 H VAL 15 5.256 4.055 -1.298
98 HA VAL 15 HA VAL 15 7.634 5.443 -1.927
99 HB VAL 15 HB VAL 15 5.203 6.351 -0.370
100 HG11 VAL 15 HG11 VAL 15 7.104 7.717 0.279
101 HG12 VAL 15 HG12 VAL 15 6.028 8.647 -0.764
102 HG13 VAL 15 HG13 VAL 15 7.524 7.980 -1.412
103 HG21 VAL 15 HG21 VAL 15 4.744 5.822 -2.709
104 HG22 VAL 15 HG22 VAL 15 6.074 6.860 -3.218
105 HG23 VAL 15 HG23 VAL 15 4.656 7.564 -2.442
106 H ASN 16 H ASN 16 6.247 4.260 1.110
107 HA ASN 16 HA ASN 16 8.336 5.376 2.734
108 HB2 ASN 16 HB2 ASN 16 6.456 3.056 3.303
109 HB3 ASN 16 HB3 ASN 16 7.500 3.842 4.490
110 HD21 ASN 16 HD21 ASN 16 7.020 6.505 3.408
111 HD22 ASN 16 HD22 ASN 16 5.416 6.930 3.901
112 H LYS 17 H LYS 17 7.629 1.900 2.435
113 HA LYS 17 HA LYS 17 9.716 1.209 0.774
114 HB2 LYS 17 HB2 LYS 17 11.359 0.161 2.270
115 HB3 LYS 17 HB3 LYS 17 11.268 1.907 2.521
116 HG2 LYS 17 HG2 LYS 17 9.779 -0.029 4.284
117 HG3 LYS 17 HG3 LYS 17 11.472 0.374 4.573
118 HD2 LYS 17 HD2 LYS 17 10.909 2.735 4.798
119 HD3 LYS 17 HD3 LYS 17 9.201 2.396 4.440
120 HE2 LYS 17 HE2 LYS 17 10.734 1.239 6.777
121 HE3 LYS 17 HE3 LYS 17 9.717 2.672 6.871
122 HZ1 LYS 17 HZ1 LYS 17 8.563 0.667 7.602
123 HZ2 LYS 17 HZ2 LYS 17 8.784 -0.033 6.080
124 HZ3 LYS 17 HZ3 LYS 17 7.818 1.344 6.244
125 H VAL 18 H VAL 18 7.794 -0.064 0.100
126 HA VAL 18 HA VAL 18 8.076 -2.709 1.276
127 HB VAL 18 HB VAL 18 5.892 -3.190 1.808
128 HG11 VAL 18 HG11 VAL 18 5.864 -0.216 2.305
129 HG12 VAL 18 HG12 VAL 18 6.616 -1.431 3.341
130 HG13 VAL 18 HG13 VAL 18 4.866 -1.432 3.109
131 HG21 VAL 18 HG21 VAL 18 3.911 -2.084 0.916
132 HG22 VAL 18 HG22 VAL 18 4.970 -2.697 -0.361
133 HG23 VAL 18 HG23 VAL 18 4.943 -0.970 0.011
134 HA PRO 19 HA PRO 19 7.712 -3.844 -3.074
135 HB2 PRO 19 HB2 PRO 19 7.102 -6.520 -2.022
136 HB3 PRO 19 HB3 PRO 19 8.444 -6.007 -3.058
137 HG2 PRO 19 HG2 PRO 19 8.828 -6.707 -0.487
138 HG3 PRO 19 HG3 PRO 19 9.788 -5.444 -1.282
139 HD2 PRO 19 HD2 PRO 19 7.490 -5.143 0.628
140 HD3 PRO 19 HD3 PRO 19 9.003 -4.212 0.501
141 H PHE 20 H PHE 20 5.967 -4.549 -4.488
142 HA PHE 20 HA PHE 20 3.434 -3.704 -3.731
143 HB2 PHE 20 HB2 PHE 20 4.182 -4.003 -6.093
144 HB3 PHE 20 HB3 PHE 20 4.016 -5.743 -5.894
145 HD1 PHE 20 HD1 PHE 20 1.842 -6.788 -5.830
146 HD2 PHE 20 HD2 PHE 20 2.234 -2.566 -6.171
147 HE1 PHE 20 HE1 PHE 20 -0.525 -6.626 -6.477
148 HE2 PHE 20 HE2 PHE 20 -0.133 -2.397 -6.814
149 HZ PHE 20 HZ PHE 20 -1.517 -4.427 -6.969
150 H ASP 21 H ASP 21 4.713 -7.019 -3.772
151 HA ASP 21 HA ASP 21 2.358 -8.352 -3.107
152 HB2 ASP 21 HB2 ASP 21 3.786 -10.175 -2.273
153 HB3 ASP 21 HB3 ASP 21 4.341 -9.571 -3.830
154 H GLN 22 H GLN 22 4.782 -6.866 -1.004
155 HA GLN 22 HA GLN 22 3.601 -7.601 1.453
156 HB2 GLN 22 HB2 GLN 22 5.904 -6.832 1.319
157 HB3 GLN 22 HB3 GLN 22 5.368 -5.252 0.753
158 HG2 GLN 22 HG2 GLN 22 5.950 -5.121 3.070
159 HG3 GLN 22 HG3 GLN 22 4.202 -4.912 2.889
160 HE21 GLN 22 HE21 GLN 22 3.805 -5.500 5.003
161 HE22 GLN 22 HE22 GLN 22 3.946 -7.136 5.555
162 H CYS 23 H CYS 23 3.205 -4.810 -0.676
163 HA CYS 23 HA CYS 23 1.555 -3.298 1.059
164 HB2 CYS 23 HB2 CYS 23 2.713 -2.482 -1.103
165 HB3 CYS 23 HB3 CYS 23 1.346 -3.203 -1.958
166 H TYR 24 H TYR 24 0.849 -5.711 -1.412
167 HA TYR 24 HA TYR 24 -1.957 -5.620 -1.215
168 HB2 TYR 24 HB2 TYR 24 -0.762 -6.759 -3.071
169 HB3 TYR 24 HB3 TYR 24 -0.196 -7.989 -1.930
170 HD1 TYR 24 HD1 TYR 24 -1.541 -9.836 -1.380
171 HD2 TYR 24 HD2 TYR 24 -3.238 -6.564 -3.500
172 HE1 TYR 24 HE1 TYR 24 -3.570 -11.156 -1.779
173 HE2 TYR 24 HE2 TYR 24 -5.273 -7.874 -3.902
174 HH TYR 24 HH TYR 24 -5.974 -10.744 -2.258
175 H GLN 25 H GLN 25 0.474 -7.302 0.716
176 HA GLN 25 HA GLN 25 -1.434 -9.114 1.854
177 HB2 GLN 25 HB2 GLN 25 1.403 -8.423 2.647
178 HB3 GLN 25 HB3 GLN 25 0.424 -9.603 3.513
179 HG2 GLN 25 HG2 GLN 25 1.258 -9.775 0.605
180 HG3 GLN 25 HG3 GLN 25 1.896 -10.725 1.940
181 HE21 GLN 25 HE21 GLN 25 -0.690 -11.109 3.199
182 HE22 GLN 25 HE22 GLN 25 -1.542 -12.248 2.214
183 H MET 26 H MET 26 -0.443 -5.898 2.555
184 HA MET 26 HA MET 26 -1.530 -5.998 5.241
185 HB2 MET 26 HB2 MET 26 0.453 -4.696 5.045
186 HB3 MET 26 HB3 MET 26 -0.168 -3.847 3.639
187 HG2 MET 26 HG2 MET 26 -1.829 -2.720 5.044
188 HG3 MET 26 HG3 MET 26 -1.206 -3.571 6.458
189 HE1 MET 26 HE1 MET 26 1.356 -0.538 4.075
190 HE2 MET 26 HE2 MET 26 -0.212 -1.132 3.526
191 HE3 MET 26 HE3 MET 26 1.176 -2.217 3.577
192 H CYS 27 H CYS 27 -2.279 -4.263 2.187
193 HA CYS 27 HA CYS 27 -4.719 -3.329 3.523
194 HB2 CYS 27 HB2 CYS 27 -3.121 -2.148 1.258
195 HB3 CYS 27 HB3 CYS 27 -4.801 -1.656 1.569
196 H SER 28 H SER 28 -4.068 -5.861 1.528
197 HA SER 28 HA SER 28 -6.141 -5.660 -0.325
198 HB2 SER 28 HB2 SER 28 -6.232 -8.176 -0.288
199 HB3 SER 28 HB3 SER 28 -4.643 -7.476 -0.617
200 HG SER 28 HG SER 28 -3.919 -8.172 1.265
201 HA PRO 29 HA PRO 29 -9.139 -7.462 3.176
202 HB2 PRO 29 HB2 PRO 29 -7.841 -5.951 5.402
203 HB3 PRO 29 HB3 PRO 29 -8.719 -7.496 5.450
204 HG2 PRO 29 HG2 PRO 29 -6.075 -7.509 5.588
205 HG3 PRO 29 HG3 PRO 29 -6.917 -8.700 4.563
206 HD2 PRO 29 HD2 PRO 29 -5.474 -6.184 3.757
207 HD3 PRO 29 HD3 PRO 29 -5.490 -7.783 2.969
208 H LEU 30 H LEU 30 -7.579 -4.397 2.905
209 HA LEU 30 HA LEU 30 -9.872 -2.816 3.650
210 HB2 LEU 30 HB2 LEU 30 -7.328 -2.220 3.833
211 HB3 LEU 30 HB3 LEU 30 -7.472 -1.831 2.113
212 HG LEU 30 HG LEU 30 -8.913 -0.472 4.415
213 HD11 LEU 30 HD11 LEU 30 -6.596 0.172 4.256
214 HD12 LEU 30 HD12 LEU 30 -7.597 1.488 3.645
215 HD13 LEU 30 HD13 LEU 30 -6.744 0.433 2.517
216 HD21 LEU 30 HD21 LEU 30 -10.356 -0.591 2.416
217 HD22 LEU 30 HD22 LEU 30 -9.072 0.149 1.460
218 HD23 LEU 30 HD23 LEU 30 -9.835 1.058 2.764
219 H GLU 31 H GLU 31 -7.992 -3.285 0.669
220 HA GLU 31 HA GLU 31 -10.015 -1.955 -0.895
221 HB2 GLU 31 HB2 GLU 31 -7.561 -1.705 -1.338
222 HB3 GLU 31 HB3 GLU 31 -7.527 -3.394 -1.848
223 HG2 GLU 31 HG2 GLU 31 -9.093 -2.880 -3.656
224 HG3 GLU 31 HG3 GLU 31 -9.113 -1.183 -3.160
225 H ARG 32 H ARG 32 -8.429 -5.086 -1.473
226 HA ARG 32 HA ARG 32 -11.013 -6.361 -1.839
227 HB2 ARG 32 HB2 ARG 32 -8.973 -6.074 -4.055
228 HB3 ARG 32 HB3 ARG 32 -10.166 -7.373 -4.051
229 HG2 ARG 32 HG2 ARG 32 -10.810 -4.409 -4.066
230 HG3 ARG 32 HG3 ARG 32 -10.817 -5.454 -5.488
231 HD2 ARG 32 HD2 ARG 32 -12.753 -5.295 -3.223
232 HD3 ARG 32 HD3 ARG 32 -13.039 -5.465 -4.950
233 HE ARG 32 HE ARG 32 -11.994 -7.833 -4.466
234 HH11 ARG 32 HH11 ARG 32 -14.325 -6.045 -2.552
235 HH12 ARG 32 HH12 ARG 32 -15.078 -7.465 -1.907
236 HH21 ARG 32 HH21 ARG 32 -12.966 -9.704 -3.598
237 HH22 ARG 32 HH22 ARG 32 -14.298 -9.554 -2.496
238 H SER 33 H SER 33 -10.939 -8.165 -0.750
239 HA SER 33 HA SER 33 -8.544 -9.844 -0.880
240 HB2 SER 33 HB2 SER 33 -8.465 -8.414 1.232
241 HB3 SER 33 HB3 SER 33 -9.921 -9.258 1.760
242 HG SER 33 HG SER 33 -7.307 -10.228 1.439