NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23626 |
2jx8   |
15550 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H LEU 1 H LEU 1 -9.686 -3.716 3.820
2 HA LEU 1 HA LEU 1 -7.926 -2.109 3.363
3 HB2 LEU 1 HB2 LEU 1 -9.620 -3.202 1.103
4 HB3 LEU 1 HB3 LEU 1 -8.003 -2.546 0.849
5 HG LEU 1 HG LEU 1 -8.740 -4.881 2.637
6 HD11 LEU 1 HD11 LEU 1 -8.615 -5.199 0.102
7 HD12 LEU 1 HD12 LEU 1 -7.555 -6.230 1.062
8 HD13 LEU 1 HD13 LEU 1 -6.899 -4.816 0.237
9 HD21 LEU 1 HD21 LEU 1 -6.134 -3.403 2.187
10 HD22 LEU 1 HD22 LEU 1 -6.205 -5.028 2.871
11 HD23 LEU 1 HD23 LEU 1 -6.963 -3.681 3.718
12 HA PRO 2 HA PRO 2 -10.115 1.814 2.642
13 HB2 PRO 2 HB2 PRO 2 -8.189 3.362 3.820
14 HB3 PRO 2 HB3 PRO 2 -9.463 2.537 4.739
15 HG2 PRO 2 HG2 PRO 2 -6.616 1.774 4.347
16 HG3 PRO 2 HG3 PRO 2 -7.641 1.613 5.781
17 HD2 PRO 2 HD2 PRO 2 -7.040 -0.458 4.096
18 HD3 PRO 2 HD3 PRO 2 -8.509 -0.386 5.095
19 H GLU 3 H GLU 3 -9.289 3.825 1.467
20 HA GLU 3 HA GLU 3 -8.068 3.250 -0.984
21 HB2 GLU 3 HB2 GLU 3 -9.118 5.443 0.374
22 HB3 GLU 3 HB3 GLU 3 -7.452 5.922 0.042
23 HG2 GLU 3 HG2 GLU 3 -7.767 5.327 -2.342
24 HG3 GLU 3 HG3 GLU 3 -9.443 4.896 -2.003
25 H GLU 4 H GLU 4 -6.553 3.809 2.127
26 HA GLU 4 HA GLU 4 -3.931 4.544 1.330
27 HB2 GLU 4 HB2 GLU 4 -5.203 3.107 3.638
28 HB3 GLU 4 HB3 GLU 4 -3.443 3.191 3.551
29 HG2 GLU 4 HG2 GLU 4 -5.241 5.619 3.332
30 HG3 GLU 4 HG3 GLU 4 -4.512 5.080 4.846
31 H LEU 5 H LEU 5 -5.227 1.275 1.967
32 HA LEU 5 HA LEU 5 -2.828 -0.074 1.063
33 HB2 LEU 5 HB2 LEU 5 -5.696 -0.949 1.524
34 HB3 LEU 5 HB3 LEU 5 -4.359 -2.061 1.234
35 HG LEU 5 HG LEU 5 -4.512 -0.064 3.510
36 HD11 LEU 5 HD11 LEU 5 -6.075 -2.020 3.684
37 HD12 LEU 5 HD12 LEU 5 -4.837 -2.001 4.939
38 HD13 LEU 5 HD13 LEU 5 -4.680 -3.091 3.562
39 HD21 LEU 5 HD21 LEU 5 -2.284 -0.375 3.651
40 HD22 LEU 5 HD22 LEU 5 -2.324 -1.511 2.303
41 HD23 LEU 5 HD23 LEU 5 -2.581 -2.087 3.951
42 H VAL 6 H VAL 6 -6.037 0.488 -0.388
43 HA VAL 6 HA VAL 6 -5.663 -0.885 -2.833
44 HB VAL 6 HB VAL 6 -7.201 1.590 -2.013
45 HG11 VAL 6 HG11 VAL 6 -7.159 1.989 -4.292
46 HG12 VAL 6 HG12 VAL 6 -8.511 0.858 -4.216
47 HG13 VAL 6 HG13 VAL 6 -6.911 0.289 -4.691
48 HG21 VAL 6 HG21 VAL 6 -9.114 -0.004 -2.183
49 HG22 VAL 6 HG22 VAL 6 -7.914 -0.519 -0.997
50 HG23 VAL 6 HG23 VAL 6 -7.974 -1.289 -2.583
51 H HIS 7 H HIS 7 -4.389 2.184 -1.723
52 HA HIS 7 HA HIS 7 -3.672 3.327 -4.256
53 HB2 HIS 7 HB2 HIS 7 -3.076 3.655 -1.374
54 HB3 HIS 7 HB3 HIS 7 -1.821 4.250 -2.461
55 HD1 HIS 7 HD1 HIS 7 -2.835 6.597 -1.302
56 HD2 HIS 7 HD2 HIS 7 -5.135 4.711 -4.224
57 HE1 HIS 7 HE1 HIS 7 -4.474 8.331 -2.153
58 H ALA 8 H ALA 8 -1.795 1.363 -1.923
59 HA ALA 8 HA ALA 8 0.603 1.229 -3.487
60 HB1 ALA 8 HB1 ALA 8 1.302 -0.092 -1.733
61 HB2 ALA 8 HB2 ALA 8 -0.190 -1.031 -1.718
62 HB3 ALA 8 HB3 ALA 8 -0.148 0.570 -0.980
63 H GLY 9 H GLY 9 -2.382 -0.642 -3.536
64 HA2 GLY 9 HA2 GLY 9 -2.814 -1.649 -5.843
65 HA3 GLY 9 HA3 GLY 9 -1.203 -2.351 -5.691
66 H TRP 10 H TRP 10 -2.490 -2.361 -2.643
67 HA TRP 10 HA TRP 10 -2.756 -5.207 -2.515
68 HB2 TRP 10 HB2 TRP 10 -3.613 -2.893 -0.764
69 HB3 TRP 10 HB3 TRP 10 -3.831 -4.573 -0.270
70 HD1 TRP 10 HD1 TRP 10 -1.292 -1.857 -0.454
71 HE1 TRP 10 HE1 TRP 10 1.009 -2.737 0.304
72 HE3 TRP 10 HE3 TRP 10 -2.258 -6.876 -0.336
73 HZ2 TRP 10 HZ2 TRP 10 2.273 -5.236 0.884
74 HZ3 TRP 10 HZ3 TRP 10 -0.487 -8.478 0.321
75 HH2 TRP 10 HH2 TRP 10 1.774 -7.666 0.931
76 H GLU 11 H GLU 11 -4.603 -6.524 -2.532
77 HA GLU 11 HA GLU 11 -7.286 -5.304 -2.818
78 HB2 GLU 11 HB2 GLU 11 -7.563 -6.674 -4.969
79 HB3 GLU 11 HB3 GLU 11 -6.519 -5.255 -5.087
80 HG2 GLU 11 HG2 GLU 11 -4.585 -6.516 -5.231
81 HG3 GLU 11 HG3 GLU 11 -5.269 -7.860 -4.316
82 H LYS 12 H LYS 12 -8.647 -6.581 -1.626
83 HA LYS 12 HA LYS 12 -7.789 -9.132 -0.547
84 HB2 LYS 12 HB2 LYS 12 -9.310 -7.385 0.491
85 HB3 LYS 12 HB3 LYS 12 -10.563 -7.916 -0.631
86 HG2 LYS 12 HG2 LYS 12 -10.417 -10.202 0.262
87 HG3 LYS 12 HG3 LYS 12 -9.141 -9.695 1.370
88 HD2 LYS 12 HD2 LYS 12 -10.870 -7.910 2.163
89 HD3 LYS 12 HD3 LYS 12 -12.060 -8.961 1.395
90 HE2 LYS 12 HE2 LYS 12 -10.207 -10.514 3.017
91 HE3 LYS 12 HE3 LYS 12 -11.028 -9.270 3.982
92 HZ1 LYS 12 HZ1 LYS 12 -12.183 -11.570 3.383
93 HZ2 LYS 12 HZ2 LYS 12 -12.630 -10.694 2.003
94 HZ3 LYS 12 HZ3 LYS 12 -13.065 -10.127 3.544
95 H CYS 13 H CYS 13 -8.330 -11.197 -1.241
96 HA CYS 13 HA CYS 13 -10.379 -11.544 -3.365
97 HB2 CYS 13 HB2 CYS 13 -7.443 -12.271 -3.620
98 HB3 CYS 13 HB3 CYS 13 -8.691 -12.728 -4.778
99 HG CYS 13 HG CYS 13 -8.777 -10.386 -5.653
100 H TRP 14 H TRP 14 -10.459 -14.039 -3.896
101 HA TRP 14 HA TRP 14 -10.245 -15.515 -1.295
102 HB2 TRP 14 HB2 TRP 14 -12.505 -15.248 -2.131
103 HB3 TRP 14 HB3 TRP 14 -12.024 -15.808 -3.734
104 HD1 TRP 14 HD1 TRP 14 -11.567 -18.399 -4.062
105 HE1 TRP 14 HE1 TRP 14 -12.224 -20.462 -2.662
106 HE3 TRP 14 HE3 TRP 14 -12.902 -16.113 0.306
107 HZ2 TRP 14 HZ2 TRP 14 -13.187 -21.062 -0.037
108 HZ3 TRP 14 HZ3 TRP 14 -13.683 -17.453 2.239
109 HH2 TRP 14 HH2 TRP 14 -13.828 -19.923 2.072
110 H SER 15 H SER 15 -8.239 -16.567 -1.429
111 HA SER 15 HA SER 15 -7.177 -17.664 -3.897
112 HB2 SER 15 HB2 SER 15 -6.132 -16.885 -1.559
113 HB3 SER 15 HB3 SER 15 -6.322 -18.595 -1.185
114 HG SER 15 HG SER 15 -5.072 -19.086 -2.981
115 H ARG 16 H ARG 16 -7.805 -19.583 -4.807
116 HA ARG 16 HA ARG 16 -9.721 -21.346 -3.563
117 HB2 ARG 16 HB2 ARG 16 -7.877 -21.605 -5.961
118 HB3 ARG 16 HB3 ARG 16 -9.195 -22.723 -5.601
119 HG2 ARG 16 HG2 ARG 16 -10.545 -20.393 -5.443
120 HG3 ARG 16 HG3 ARG 16 -9.306 -19.929 -6.609
121 HD2 ARG 16 HD2 ARG 16 -10.938 -22.468 -6.909
122 HD3 ARG 16 HD3 ARG 16 -11.422 -20.922 -7.634
123 HE ARG 16 HE ARG 16 -8.926 -22.414 -8.299
124 HH11 ARG 16 HH11 ARG 16 -11.578 -21.090 -9.707
125 HH12 ARG 16 HH12 ARG 16 -10.739 -20.069 -10.825
126 HH21 ARG 16 HH21 ARG 16 -7.638 -20.551 -9.347
127 HH22 ARG 16 HH22 ARG 16 -8.507 -19.765 -10.623
128 H ARG 17 H ARG 17 -6.220 -21.699 -4.249
129 HA ARG 17 HA ARG 17 -5.809 -24.291 -3.248
130 HB2 ARG 17 HB2 ARG 17 -4.310 -21.969 -3.991
131 HB3 ARG 17 HB3 ARG 17 -3.632 -22.603 -2.490
132 HG2 ARG 17 HG2 ARG 17 -2.903 -24.528 -3.478
133 HG3 ARG 17 HG3 ARG 17 -4.309 -24.634 -4.537
134 HD2 ARG 17 HD2 ARG 17 -2.835 -22.310 -5.309
135 HD3 ARG 17 HD3 ARG 17 -1.699 -23.670 -5.197
136 HE ARG 17 HE ARG 17 -2.816 -24.659 -7.025
137 HH11 ARG 17 HH11 ARG 17 -3.824 -22.062 -7.986
138 HH12 ARG 17 HH12 ARG 17 -5.540 -22.295 -8.015
139 HH21 ARG 17 HH21 ARG 17 -5.462 -25.089 -5.964
140 HH22 ARG 17 HH22 ARG 17 -6.467 -24.009 -6.871
141 H GLU 18 H GLU 18 -5.693 -21.212 -1.453
142 HA GLU 18 HA GLU 18 -5.285 -22.554 1.119
143 HB2 GLU 18 HB2 GLU 18 -5.179 -19.919 -0.056
144 HB3 GLU 18 HB3 GLU 18 -6.121 -19.869 1.435
145 HG2 GLU 18 HG2 GLU 18 -3.338 -21.037 1.138
146 HG3 GLU 18 HG3 GLU 18 -3.734 -19.504 1.914
147 H ASN 19 H ASN 19 -7.985 -21.813 -0.847
148 HA ASN 19 HA ASN 19 -10.308 -22.007 -0.469
149 HB2 ASN 19 HB2 ASN 19 -9.474 -24.171 0.431
150 HB3 ASN 19 HB3 ASN 19 -9.275 -23.417 2.011
151 HD21 ASN 19 HD21 ASN 19 -11.624 -24.738 -0.234
152 HD22 ASN 19 HD22 ASN 19 -12.976 -24.558 0.776
153 H ARG 20 H ARG 20 -9.310 -19.524 0.235
154 HA ARG 20 HA ARG 20 -11.241 -18.565 2.134
155 HB2 ARG 20 HB2 ARG 20 -9.555 -17.978 3.921
156 HB3 ARG 20 HB3 ARG 20 -9.820 -19.710 3.729
157 HG2 ARG 20 HG2 ARG 20 -7.555 -19.824 3.568
158 HG3 ARG 20 HG3 ARG 20 -7.814 -19.263 1.917
159 HD2 ARG 20 HD2 ARG 20 -6.644 -17.389 2.404
160 HD3 ARG 20 HD3 ARG 20 -7.863 -16.967 3.622
161 HE ARG 20 HE ARG 20 -5.430 -18.616 4.158
162 HH11 ARG 20 HH11 ARG 20 -6.623 -15.785 5.145
163 HH12 ARG 20 HH12 ARG 20 -6.852 -16.189 6.813
164 HH21 ARG 20 HH21 ARG 20 -6.393 -19.592 6.327
165 HH22 ARG 20 HH22 ARG 20 -6.723 -18.345 7.482
166 HA PRO 21 HA PRO 21 -9.780 -14.827 0.361
167 HB2 PRO 21 HB2 PRO 21 -10.488 -12.984 2.255
168 HB3 PRO 21 HB3 PRO 21 -11.661 -13.844 1.241
169 HG2 PRO 21 HG2 PRO 21 -11.075 -14.168 4.085
170 HG3 PRO 21 HG3 PRO 21 -12.496 -14.663 3.158
171 HD2 PRO 21 HD2 PRO 21 -10.302 -16.285 4.035
172 HD3 PRO 21 HD3 PRO 21 -11.740 -16.787 3.121
173 H TYR 22 H TYR 22 -8.318 -12.903 0.662
174 HA TYR 22 HA TYR 22 -6.488 -12.779 2.914
175 HB2 TYR 22 HB2 TYR 22 -4.539 -13.694 1.722
176 HB3 TYR 22 HB3 TYR 22 -5.827 -14.898 1.788
177 HD1 TYR 22 HD1 TYR 22 -7.542 -14.809 -0.235
178 HD2 TYR 22 HD2 TYR 22 -3.538 -13.257 -0.343
179 HE1 TYR 22 HE1 TYR 22 -7.557 -14.946 -2.711
180 HE2 TYR 22 HE2 TYR 22 -3.554 -13.393 -2.820
181 HH TYR 22 HH TYR 22 -5.558 -15.182 -4.549
182 H TYR 23 H TYR 23 -4.254 -11.901 1.145
183 HA TYR 23 HA TYR 23 -5.485 -9.484 -0.127
184 HB2 TYR 23 HB2 TYR 23 -3.084 -9.614 1.729
185 HB3 TYR 23 HB3 TYR 23 -3.691 -8.156 0.948
186 HD1 TYR 23 HD1 TYR 23 -4.534 -10.826 3.394
187 HD2 TYR 23 HD2 TYR 23 -5.599 -6.984 1.793
188 HE1 TYR 23 HE1 TYR 23 -6.166 -10.511 5.233
189 HE2 TYR 23 HE2 TYR 23 -7.230 -6.670 3.634
190 HH TYR 23 HH TYR 23 -8.566 -8.711 5.272
191 H PHE 24 H PHE 24 -4.449 -8.858 -2.042
192 HA PHE 24 HA PHE 24 -1.958 -10.339 -2.798
193 HB2 PHE 24 HB2 PHE 24 -3.812 -11.498 -3.808
194 HB3 PHE 24 HB3 PHE 24 -4.554 -9.982 -4.320
195 HD1 PHE 24 HD1 PHE 24 -3.663 -8.710 -6.211
196 HD2 PHE 24 HD2 PHE 24 -1.865 -12.410 -4.974
197 HE1 PHE 24 HE1 PHE 24 -2.396 -8.807 -8.340
198 HE2 PHE 24 HE2 PHE 24 -0.599 -12.507 -7.103
199 HZ PHE 24 HZ PHE 24 -0.864 -10.706 -8.787
200 H ASN 25 H ASN 25 -0.445 -8.758 -3.138
201 HA ASN 25 HA ASN 25 -1.178 -6.012 -3.801
202 HB2 ASN 25 HB2 ASN 25 0.820 -7.073 -2.437
203 HB3 ASN 25 HB3 ASN 25 1.582 -7.174 -4.020
204 HD21 ASN 25 HD21 ASN 25 -0.580 -4.645 -2.684
205 HD22 ASN 25 HD22 ASN 25 0.519 -3.371 -2.898
206 H ARG 26 H ARG 26 -2.074 -5.884 -5.890
207 HA ARG 26 HA ARG 26 -1.190 -7.383 -8.165
208 HB2 ARG 26 HB2 ARG 26 -2.592 -5.803 -9.369
209 HB3 ARG 26 HB3 ARG 26 -3.363 -6.147 -7.821
210 HG2 ARG 26 HG2 ARG 26 -2.148 -4.084 -6.919
211 HG3 ARG 26 HG3 ARG 26 -1.782 -3.693 -8.601
212 HD2 ARG 26 HD2 ARG 26 -4.370 -4.051 -8.960
213 HD3 ARG 26 HD3 ARG 26 -4.449 -3.741 -7.214
214 HE ARG 26 HE ARG 26 -2.776 -1.747 -8.122
215 HH11 ARG 26 HH11 ARG 26 -4.117 -1.880 -10.763
216 HH12 ARG 26 HH12 ARG 26 -5.456 -0.798 -10.564
217 HH21 ARG 26 HH21 ARG 26 -5.273 -0.784 -7.102
218 HH22 ARG 26 HH22 ARG 26 -6.110 -0.179 -8.492
219 H PHE 27 H PHE 27 0.296 -4.834 -6.460
220 HA PHE 27 HA PHE 27 1.726 -3.673 -8.753
221 HB2 PHE 27 HB2 PHE 27 0.909 -2.769 -6.334
222 HB3 PHE 27 HB3 PHE 27 2.563 -3.226 -5.934
223 HD1 PHE 27 HD1 PHE 27 0.794 -1.603 -8.827
224 HD2 PHE 27 HD2 PHE 27 4.121 -1.512 -6.110
225 HE1 PHE 27 HE1 PHE 27 1.628 0.462 -9.918
226 HE2 PHE 27 HE2 PHE 27 4.955 0.554 -7.201
227 HZ PHE 27 HZ PHE 27 3.709 1.541 -9.105
228 H THR 28 H THR 28 2.675 -5.476 -5.795
229 HA THR 28 HA THR 28 5.228 -6.235 -7.150
230 HB THR 28 HB THR 28 5.937 -6.730 -4.821
231 HG1 THR 28 HG1 THR 28 4.458 -7.013 -3.384
232 HG21 THR 28 HG21 THR 28 5.498 -4.326 -3.925
233 HG22 THR 28 HG22 THR 28 4.704 -4.064 -5.478
234 HG23 THR 28 HG23 THR 28 6.409 -4.510 -5.424
235 H ASN 29 H ASN 29 2.314 -7.473 -7.223
236 HA ASN 29 HA ASN 29 1.427 -9.652 -7.428
237 HB2 ASN 29 HB2 ASN 29 3.423 -9.706 -8.935
238 HB3 ASN 29 HB3 ASN 29 4.385 -10.304 -7.584
239 HD21 ASN 29 HD21 ASN 29 4.370 -12.046 -9.640
240 HD22 ASN 29 HD22 ASN 29 3.296 -13.335 -9.385
241 H GLN 30 H GLN 30 2.664 -8.568 -4.715
242 HA GLN 30 HA GLN 30 3.532 -10.813 -3.184
243 HB2 GLN 30 HB2 GLN 30 2.945 -8.054 -2.879
244 HB3 GLN 30 HB3 GLN 30 2.020 -8.905 -1.641
245 HG2 GLN 30 HG2 GLN 30 3.970 -9.917 -0.732
246 HG3 GLN 30 HG3 GLN 30 4.939 -9.486 -2.141
247 HE21 GLN 30 HE21 GLN 30 5.743 -8.708 0.497
248 HE22 GLN 30 HE22 GLN 30 5.627 -7.018 0.614
249 H SER 31 H SER 31 2.286 -11.946 -1.507
250 HA SER 31 HA SER 31 -0.670 -12.018 -1.886
251 HB2 SER 31 HB2 SER 31 -0.020 -14.676 -1.703
252 HB3 SER 31 HB3 SER 31 -0.294 -13.833 -3.225
253 HG SER 31 HG SER 31 2.124 -14.494 -1.938
254 H LEU 32 H LEU 32 -0.912 -11.188 0.252
255 HA LEU 32 HA LEU 32 0.440 -12.614 2.481
256 HB2 LEU 32 HB2 LEU 32 -1.341 -10.157 2.365
257 HB3 LEU 32 HB3 LEU 32 -0.433 -10.697 3.777
258 HG LEU 32 HG LEU 32 0.683 -9.724 1.136
259 HD11 LEU 32 HD11 LEU 32 0.814 -8.764 4.005
260 HD12 LEU 32 HD12 LEU 32 0.138 -7.913 2.616
261 HD13 LEU 32 HD13 LEU 32 1.881 -8.153 2.740
262 HD21 LEU 32 HD21 LEU 32 2.913 -10.178 2.232
263 HD22 LEU 32 HD22 LEU 32 2.011 -11.632 1.803
264 HD23 LEU 32 HD23 LEU 32 2.049 -11.080 3.478
265 H TRP 33 H TRP 33 -1.368 -12.317 4.486
266 HA TRP 33 HA TRP 33 -3.862 -13.730 3.631
267 HB2 TRP 33 HB2 TRP 33 -1.926 -14.474 5.848
268 HB3 TRP 33 HB3 TRP 33 -3.448 -15.298 5.525
269 HD1 TRP 33 HD1 TRP 33 0.067 -15.533 4.764
270 HE1 TRP 33 HE1 TRP 33 0.503 -17.019 2.698
271 HE3 TRP 33 HE3 TRP 33 -4.659 -15.803 2.887
272 HZ2 TRP 33 HZ2 TRP 33 -0.976 -18.170 0.531
273 HZ3 TRP 33 HZ3 TRP 33 -5.126 -17.095 0.823
274 HH2 TRP 33 HH2 TRP 33 -3.293 -18.278 -0.355
275 H GLU 34 H GLU 34 -2.580 -11.095 5.086
276 HA GLU 34 HA GLU 34 -5.013 -10.610 6.698
277 HB2 GLU 34 HB2 GLU 34 -2.516 -11.510 7.774
278 HB3 GLU 34 HB3 GLU 34 -2.744 -9.831 8.266
279 HG2 GLU 34 HG2 GLU 34 -5.257 -10.864 8.650
280 HG3 GLU 34 HG3 GLU 34 -4.238 -12.242 9.069
281 H MET 35 H MET 35 -5.444 -8.365 6.818
282 HA MET 35 HA MET 35 -4.667 -6.572 4.911
283 HB2 MET 35 HB2 MET 35 -5.826 -6.539 7.547
284 HB3 MET 35 HB3 MET 35 -4.837 -5.095 7.317
285 HG2 MET 35 HG2 MET 35 -6.233 -5.492 4.895
286 HG3 MET 35 HG3 MET 35 -7.413 -5.714 6.183
287 HE1 MET 35 HE1 MET 35 -8.535 -2.450 6.956
288 HE2 MET 35 HE2 MET 35 -8.669 -4.213 6.960
289 HE3 MET 35 HE3 MET 35 -8.795 -3.321 5.447
290 HA PRO 36 HA PRO 36 -0.344 -6.008 5.793
291 HB2 PRO 36 HB2 PRO 36 0.178 -4.384 3.659
292 HB3 PRO 36 HB3 PRO 36 -0.019 -6.141 3.510
293 HG2 PRO 36 HG2 PRO 36 -1.888 -3.967 2.798
294 HG3 PRO 36 HG3 PRO 36 -1.688 -5.571 2.082
295 HD2 PRO 36 HD2 PRO 36 -3.703 -4.806 3.855
296 HD3 PRO 36 HD3 PRO 36 -3.268 -6.473 3.427
297 H VAL 37 H VAL 37 1.038 -3.688 5.393
298 HA VAL 37 HA VAL 37 -0.516 -1.613 6.907
299 HB VAL 37 HB VAL 37 2.449 -2.186 7.126
300 HG11 VAL 37 HG11 VAL 37 2.281 -0.268 8.320
301 HG12 VAL 37 HG12 VAL 37 1.471 -1.249 9.542
302 HG13 VAL 37 HG13 VAL 37 0.520 -0.351 8.358
303 HG21 VAL 37 HG21 VAL 37 0.139 -3.673 8.205
304 HG22 VAL 37 HG22 VAL 37 1.329 -3.202 9.418
305 HG23 VAL 37 HG23 VAL 37 1.819 -4.178 8.032
306 H LEU 38 H LEU 38 0.920 0.555 6.763
307 HA LEU 38 HA LEU 38 2.118 0.884 4.062
308 HB2 LEU 38 HB2 LEU 38 -0.563 1.342 4.535
309 HB3 LEU 38 HB3 LEU 38 0.135 2.945 4.760
310 HG LEU 38 HG LEU 38 1.367 1.762 2.469
311 HD11 LEU 38 HD11 LEU 38 -0.838 0.399 2.597
312 HD12 LEU 38 HD12 LEU 38 -0.442 1.181 1.067
313 HD13 LEU 38 HD13 LEU 38 -1.629 1.910 2.149
314 HD21 LEU 38 HD21 LEU 38 1.244 3.986 2.091
315 HD22 LEU 38 HD22 LEU 38 -0.031 4.178 3.295
316 HD23 LEU 38 HD23 LEU 38 -0.442 3.737 1.637
317 H GLY 39 H GLY 39 2.179 3.694 4.100
318 HA2 GLY 39 HA2 GLY 39 4.299 4.160 6.040
319 HA3 GLY 39 HA3 GLY 39 3.672 5.343 4.890
320 H GLN 40 H GLN 40 1.027 4.081 6.423
321 HA GLN 40 HA GLN 40 0.119 6.351 7.702
322 HB2 GLN 40 HB2 GLN 40 -0.271 3.446 7.894
323 HB3 GLN 40 HB3 GLN 40 -0.696 4.300 9.377
324 HG2 GLN 40 HG2 GLN 40 -1.642 5.623 6.921
325 HG3 GLN 40 HG3 GLN 40 -2.357 4.036 7.205
326 HE21 GLN 40 HE21 GLN 40 -4.443 5.060 7.756
327 HE22 GLN 40 HE22 GLN 40 -4.655 5.836 9.251
328 H HIS 41 H HIS 41 2.646 4.190 8.819
329 HA HIS 41 HA HIS 41 2.695 4.981 11.582
330 HB2 HIS 41 HB2 HIS 41 4.054 3.262 9.793
331 HB3 HIS 41 HB3 HIS 41 5.290 4.305 10.496
332 HD1 HIS 41 HD1 HIS 41 3.028 1.488 11.287
333 HD2 HIS 41 HD2 HIS 41 5.387 4.188 13.414
334 HE1 HIS 41 HE1 HIS 41 3.238 0.561 13.635
335 H ASP 42 H ASP 42 5.489 5.746 11.781
336 HA ASP 42 HA ASP 42 5.218 8.629 11.434
337 HB2 ASP 42 HB2 ASP 42 7.548 6.866 12.259
338 HB3 ASP 42 HB3 ASP 42 7.430 8.604 12.525
339 H VAL 43 H VAL 43 7.209 9.811 10.417
340 HA VAL 43 HA VAL 43 7.806 8.532 7.776
341 HB VAL 43 HB VAL 43 8.093 11.004 7.146
342 HG11 VAL 43 HG11 VAL 43 5.338 11.058 7.873
343 HG12 VAL 43 HG12 VAL 43 5.760 9.386 7.503
344 HG13 VAL 43 HG13 VAL 43 6.037 10.652 6.307
345 HG21 VAL 43 HG21 VAL 43 7.519 12.671 8.639
346 HG22 VAL 43 HG22 VAL 43 8.153 11.481 9.775
347 HG23 VAL 43 HG23 VAL 43 6.413 11.629 9.533
348 H ILE 44 H ILE 44 9.783 7.508 8.510
349 HA ILE 44 HA ILE 44 11.883 9.108 9.791
350 HB ILE 44 HB ILE 44 13.080 6.973 9.701
351 HG12 ILE 44 HG12 ILE 44 11.058 5.333 8.475
352 HG13 ILE 44 HG13 ILE 44 11.520 6.617 7.357
353 HG21 ILE 44 HG21 ILE 44 10.553 5.726 10.277
354 HG22 ILE 44 HG22 ILE 44 10.531 7.385 10.876
355 HG23 ILE 44 HG23 ILE 44 11.791 6.272 11.407
356 HD11 ILE 44 HD11 ILE 44 12.952 4.249 7.918
357 HD12 ILE 44 HD12 ILE 44 13.869 5.559 8.661
358 HD13 ILE 44 HD13 ILE 44 13.489 5.614 6.939
359 H SER 45 H SER 45 11.678 10.663 7.768
360 HA SER 45 HA SER 45 13.717 9.779 5.757
361 HB2 SER 45 HB2 SER 45 12.316 10.425 4.015
362 HB3 SER 45 HB3 SER 45 11.121 9.869 5.183
363 HG SER 45 HG SER 45 10.695 11.948 5.737
364 H ASP 46 H ASP 46 15.184 11.416 5.151
365 HA ASP 46 HA ASP 46 14.764 14.139 6.320
366 HB2 ASP 46 HB2 ASP 46 16.147 12.750 7.830
367 HB3 ASP 46 HB3 ASP 46 17.252 12.406 6.498
368 HA PRO 47 HA PRO 47 16.445 13.949 1.921
369 HB2 PRO 47 HB2 PRO 47 14.258 14.999 0.653
370 HB3 PRO 47 HB3 PRO 47 14.480 13.257 0.912
371 HG2 PRO 47 HG2 PRO 47 12.795 15.194 2.414
372 HG3 PRO 47 HG3 PRO 47 12.463 13.511 1.975
373 HD2 PRO 47 HD2 PRO 47 13.259 14.298 4.466
374 HD3 PRO 47 HD3 PRO 47 13.572 12.683 3.795
Start of MODEL 2
1 H LEU 1 H LEU 1 -10.630 -2.424 3.385
2 HA LEU 1 HA LEU 1 -7.668 -2.119 3.422
3 HB2 LEU 1 HB2 LEU 1 -9.662 -3.240 1.544
4 HB3 LEU 1 HB3 LEU 1 -8.514 -2.111 0.821
5 HG LEU 1 HG LEU 1 -7.407 -4.164 2.676
6 HD11 LEU 1 HD11 LEU 1 -8.832 -4.763 0.134
7 HD12 LEU 1 HD12 LEU 1 -8.556 -5.793 1.539
8 HD13 LEU 1 HD13 LEU 1 -7.267 -5.544 0.360
9 HD21 LEU 1 HD21 LEU 1 -6.394 -3.440 -0.058
10 HD22 LEU 1 HD22 LEU 1 -5.482 -3.871 1.389
11 HD23 LEU 1 HD23 LEU 1 -6.227 -2.277 1.259
12 HA PRO 2 HA PRO 2 -9.480 2.034 3.346
13 HB2 PRO 2 HB2 PRO 2 -7.223 3.283 4.254
14 HB3 PRO 2 HB3 PRO 2 -8.400 2.504 5.328
15 HG2 PRO 2 HG2 PRO 2 -5.759 1.523 4.383
16 HG3 PRO 2 HG3 PRO 2 -6.543 1.315 5.956
17 HD2 PRO 2 HD2 PRO 2 -6.447 -0.622 4.015
18 HD3 PRO 2 HD3 PRO 2 -7.695 -0.534 5.277
19 H GLU 3 H GLU 3 -8.827 3.986 2.117
20 HA GLU 3 HA GLU 3 -8.003 3.526 -0.520
21 HB2 GLU 3 HB2 GLU 3 -9.127 5.549 0.494
22 HB3 GLU 3 HB3 GLU 3 -7.549 6.044 1.109
23 HG2 GLU 3 HG2 GLU 3 -7.769 7.206 -0.944
24 HG3 GLU 3 HG3 GLU 3 -6.733 5.832 -1.327
25 H GLU 4 H GLU 4 -6.022 4.098 2.338
26 HA GLU 4 HA GLU 4 -3.556 4.789 1.135
27 HB2 GLU 4 HB2 GLU 4 -4.413 3.335 3.628
28 HB3 GLU 4 HB3 GLU 4 -2.699 3.552 3.273
29 HG2 GLU 4 HG2 GLU 4 -3.025 5.986 3.120
30 HG3 GLU 4 HG3 GLU 4 -4.747 5.784 3.445
31 H LEU 5 H LEU 5 -4.823 1.547 1.928
32 HA LEU 5 HA LEU 5 -2.556 0.144 0.789
33 HB2 LEU 5 HB2 LEU 5 -5.375 -0.635 1.580
34 HB3 LEU 5 HB3 LEU 5 -4.154 -1.803 1.078
35 HG LEU 5 HG LEU 5 -3.865 0.130 3.396
36 HD11 LEU 5 HD11 LEU 5 -4.820 -1.436 4.704
37 HD12 LEU 5 HD12 LEU 5 -3.772 -2.691 4.042
38 HD13 LEU 5 HD13 LEU 5 -5.291 -2.294 3.237
39 HD21 LEU 5 HD21 LEU 5 -2.073 -1.911 2.105
40 HD22 LEU 5 HD22 LEU 5 -1.925 -1.590 3.833
41 HD23 LEU 5 HD23 LEU 5 -1.680 -0.287 2.669
42 H VAL 6 H VAL 6 -5.840 0.889 -0.363
43 HA VAL 6 HA VAL 6 -5.871 -0.551 -2.772
44 HB VAL 6 HB VAL 6 -6.910 2.241 -2.192
45 HG11 VAL 6 HG11 VAL 6 -6.894 0.956 -4.603
46 HG12 VAL 6 HG12 VAL 6 -8.137 2.106 -4.110
47 HG13 VAL 6 HG13 VAL 6 -8.414 0.374 -3.924
48 HG21 VAL 6 HG21 VAL 6 -7.895 0.986 -0.512
49 HG22 VAL 6 HG22 VAL 6 -7.795 -0.516 -1.430
50 HG23 VAL 6 HG23 VAL 6 -9.037 0.673 -1.818
51 H HIS 7 H HIS 7 -4.483 2.663 -2.134
52 HA HIS 7 HA HIS 7 -3.657 3.219 -4.825
53 HB2 HIS 7 HB2 HIS 7 -3.539 4.359 -2.211
54 HB3 HIS 7 HB3 HIS 7 -1.904 4.382 -2.872
55 HD1 HIS 7 HD1 HIS 7 -1.996 6.961 -3.268
56 HD2 HIS 7 HD2 HIS 7 -4.910 4.826 -5.350
57 HE1 HIS 7 HE1 HIS 7 -2.979 8.561 -4.968
58 H ALA 8 H ALA 8 -2.167 1.415 -2.174
59 HA ALA 8 HA ALA 8 0.479 1.222 -3.285
60 HB1 ALA 8 HB1 ALA 8 -1.152 0.080 -1.125
61 HB2 ALA 8 HB2 ALA 8 0.553 0.527 -1.120
62 HB3 ALA 8 HB3 ALA 8 0.056 -1.043 -1.749
63 H GLY 9 H GLY 9 -2.464 -0.707 -3.691
64 HA2 GLY 9 HA2 GLY 9 -2.687 -1.761 -5.971
65 HA3 GLY 9 HA3 GLY 9 -1.014 -2.288 -5.777
66 H TRP 10 H TRP 10 -3.050 -2.382 -2.968
67 HA TRP 10 HA TRP 10 -2.810 -5.327 -2.919
68 HB2 TRP 10 HB2 TRP 10 -3.658 -3.139 -1.020
69 HB3 TRP 10 HB3 TRP 10 -3.934 -4.836 -0.621
70 HD1 TRP 10 HD1 TRP 10 -1.257 -2.211 -0.810
71 HE1 TRP 10 HE1 TRP 10 0.994 -3.209 -0.045
72 HE3 TRP 10 HE3 TRP 10 -2.506 -7.162 -0.603
73 HZ2 TRP 10 HZ2 TRP 10 2.117 -5.767 0.574
74 HZ3 TRP 10 HZ3 TRP 10 -0.828 -8.854 0.077
75 HH2 TRP 10 HH2 TRP 10 1.479 -8.163 0.666
76 H GLU 11 H GLU 11 -4.790 -6.603 -2.264
77 HA GLU 11 HA GLU 11 -7.431 -5.479 -2.861
78 HB2 GLU 11 HB2 GLU 11 -7.782 -6.793 -4.885
79 HB3 GLU 11 HB3 GLU 11 -6.318 -5.830 -5.091
80 HG2 GLU 11 HG2 GLU 11 -5.399 -7.828 -5.701
81 HG3 GLU 11 HG3 GLU 11 -5.273 -8.072 -3.958
82 H LYS 12 H LYS 12 -9.048 -6.818 -1.988
83 HA LYS 12 HA LYS 12 -8.082 -9.233 -0.531
84 HB2 LYS 12 HB2 LYS 12 -9.540 -7.079 0.245
85 HB3 LYS 12 HB3 LYS 12 -10.841 -8.179 -0.208
86 HG2 LYS 12 HG2 LYS 12 -9.196 -9.856 1.196
87 HG3 LYS 12 HG3 LYS 12 -8.952 -8.334 2.054
88 HD2 LYS 12 HD2 LYS 12 -11.287 -8.109 2.514
89 HD3 LYS 12 HD3 LYS 12 -11.703 -9.397 1.384
90 HE2 LYS 12 HE2 LYS 12 -11.795 -10.576 3.395
91 HE3 LYS 12 HE3 LYS 12 -10.085 -10.814 2.987
92 HZ1 LYS 12 HZ1 LYS 12 -9.419 -9.404 4.581
93 HZ2 LYS 12 HZ2 LYS 12 -10.950 -9.661 5.262
94 HZ3 LYS 12 HZ3 LYS 12 -10.676 -8.300 4.285
95 H CYS 13 H CYS 13 -8.421 -11.158 -1.565
96 HA CYS 13 HA CYS 13 -10.981 -11.520 -3.078
97 HB2 CYS 13 HB2 CYS 13 -8.172 -11.637 -3.962
98 HB3 CYS 13 HB3 CYS 13 -9.129 -13.037 -4.441
99 HG CYS 13 HG CYS 13 -10.016 -11.572 -6.229
100 H TRP 14 H TRP 14 -10.604 -14.164 -3.808
101 HA TRP 14 HA TRP 14 -10.294 -15.559 -1.164
102 HB2 TRP 14 HB2 TRP 14 -12.609 -15.431 -1.881
103 HB3 TRP 14 HB3 TRP 14 -12.182 -15.993 -3.499
104 HD1 TRP 14 HD1 TRP 14 -11.547 -18.558 -3.797
105 HE1 TRP 14 HE1 TRP 14 -12.031 -20.630 -2.341
106 HE3 TRP 14 HE3 TRP 14 -12.899 -16.273 0.564
107 HZ2 TRP 14 HZ2 TRP 14 -12.881 -21.237 0.322
108 HZ3 TRP 14 HZ3 TRP 14 -13.543 -17.620 2.543
109 HH2 TRP 14 HH2 TRP 14 -13.536 -20.097 2.428
110 H SER 15 H SER 15 -8.283 -16.567 -1.361
111 HA SER 15 HA SER 15 -7.240 -17.568 -3.877
112 HB2 SER 15 HB2 SER 15 -6.122 -16.769 -1.618
113 HB3 SER 15 HB3 SER 15 -6.313 -18.458 -1.160
114 HG SER 15 HG SER 15 -4.357 -17.531 -2.488
115 H ARG 16 H ARG 16 -7.784 -19.505 -4.806
116 HA ARG 16 HA ARG 16 -9.583 -21.375 -3.512
117 HB2 ARG 16 HB2 ARG 16 -8.186 -20.991 -6.099
118 HB3 ARG 16 HB3 ARG 16 -8.609 -22.658 -5.709
119 HG2 ARG 16 HG2 ARG 16 -10.683 -22.181 -6.462
120 HG3 ARG 16 HG3 ARG 16 -10.883 -21.212 -5.002
121 HD2 ARG 16 HD2 ARG 16 -11.271 -19.525 -6.520
122 HD3 ARG 16 HD3 ARG 16 -9.497 -19.459 -6.577
123 HE ARG 16 HE ARG 16 -10.794 -21.418 -8.375
124 HH11 ARG 16 HH11 ARG 16 -8.257 -19.307 -8.018
125 HH12 ARG 16 HH12 ARG 16 -8.321 -18.652 -9.621
126 HH21 ARG 16 HH21 ARG 16 -11.339 -20.167 -10.406
127 HH22 ARG 16 HH22 ARG 16 -10.065 -19.140 -10.971
128 H ARG 17 H ARG 17 -6.081 -21.247 -4.018
129 HA ARG 17 HA ARG 17 -5.460 -23.963 -3.399
130 HB2 ARG 17 HB2 ARG 17 -4.053 -21.308 -3.266
131 HB3 ARG 17 HB3 ARG 17 -3.243 -22.762 -2.684
132 HG2 ARG 17 HG2 ARG 17 -3.029 -23.650 -4.782
133 HG3 ARG 17 HG3 ARG 17 -4.570 -22.989 -5.328
134 HD2 ARG 17 HD2 ARG 17 -2.820 -20.786 -4.785
135 HD3 ARG 17 HD3 ARG 17 -1.962 -21.941 -5.824
136 HE ARG 17 HE ARG 17 -4.712 -20.936 -6.461
137 HH11 ARG 17 HH11 ARG 17 -1.881 -19.960 -7.524
138 HH12 ARG 17 HH12 ARG 17 -1.952 -20.627 -9.121
139 HH21 ARG 17 HH21 ARG 17 -4.669 -22.668 -8.432
140 HH22 ARG 17 HH22 ARG 17 -3.531 -22.160 -9.636
141 H GLU 18 H GLU 18 -5.424 -21.086 -1.287
142 HA GLU 18 HA GLU 18 -5.051 -22.698 1.129
143 HB2 GLU 18 HB2 GLU 18 -4.911 -19.961 0.240
144 HB3 GLU 18 HB3 GLU 18 -5.893 -20.052 1.702
145 HG2 GLU 18 HG2 GLU 18 -3.066 -21.068 1.326
146 HG3 GLU 18 HG3 GLU 18 -3.602 -19.778 2.404
147 H ASN 19 H ASN 19 -7.716 -21.819 -0.787
148 HA ASN 19 HA ASN 19 -10.043 -22.058 -0.465
149 HB2 ASN 19 HB2 ASN 19 -9.226 -24.256 0.369
150 HB3 ASN 19 HB3 ASN 19 -9.051 -23.561 1.979
151 HD21 ASN 19 HD21 ASN 19 -10.711 -25.367 2.494
152 HD22 ASN 19 HD22 ASN 19 -12.354 -24.986 2.296
153 H ARG 20 H ARG 20 -9.020 -19.616 0.355
154 HA ARG 20 HA ARG 20 -10.980 -18.737 2.294
155 HB2 ARG 20 HB2 ARG 20 -9.243 -18.104 4.025
156 HB3 ARG 20 HB3 ARG 20 -9.476 -19.839 3.841
157 HG2 ARG 20 HG2 ARG 20 -7.286 -20.061 3.374
158 HG3 ARG 20 HG3 ARG 20 -7.512 -19.059 1.941
159 HD2 ARG 20 HD2 ARG 20 -6.404 -17.339 2.913
160 HD3 ARG 20 HD3 ARG 20 -7.462 -17.412 4.337
161 HE ARG 20 HE ARG 20 -5.045 -19.142 3.966
162 HH11 ARG 20 HH11 ARG 20 -6.918 -20.296 5.904
163 HH12 ARG 20 HH12 ARG 20 -6.448 -19.559 7.401
164 HH21 ARG 20 HH21 ARG 20 -4.654 -17.006 5.888
165 HH22 ARG 20 HH22 ARG 20 -5.167 -17.697 7.392
166 HA PRO 21 HA PRO 21 -9.698 -14.947 0.490
167 HB2 PRO 21 HB2 PRO 21 -10.333 -13.127 2.431
168 HB3 PRO 21 HB3 PRO 21 -11.543 -13.997 1.473
169 HG2 PRO 21 HG2 PRO 21 -10.803 -14.332 4.282
170 HG3 PRO 21 HG3 PRO 21 -12.268 -14.836 3.430
171 HD2 PRO 21 HD2 PRO 21 -10.022 -16.444 4.180
172 HD3 PRO 21 HD3 PRO 21 -11.492 -16.952 3.322
173 H TYR 22 H TYR 22 -8.213 -13.071 0.651
174 HA TYR 22 HA TYR 22 -6.287 -12.885 2.830
175 HB2 TYR 22 HB2 TYR 22 -4.406 -13.853 1.635
176 HB3 TYR 22 HB3 TYR 22 -5.718 -15.031 1.640
177 HD1 TYR 22 HD1 TYR 22 -7.416 -14.789 -0.401
178 HD2 TYR 22 HD2 TYR 22 -3.350 -13.404 -0.399
179 HE1 TYR 22 HE1 TYR 22 -7.398 -14.843 -2.880
180 HE2 TYR 22 HE2 TYR 22 -3.332 -13.459 -2.879
181 HH TYR 22 HH TYR 22 -6.062 -14.764 -4.708
182 H TYR 23 H TYR 23 -4.144 -12.022 0.945
183 HA TYR 23 HA TYR 23 -5.438 -9.664 -0.361
184 HB2 TYR 23 HB2 TYR 23 -3.216 -9.724 1.699
185 HB3 TYR 23 HB3 TYR 23 -3.542 -8.314 0.695
186 HD1 TYR 23 HD1 TYR 23 -5.160 -10.675 3.099
187 HD2 TYR 23 HD2 TYR 23 -5.252 -6.791 1.267
188 HE1 TYR 23 HE1 TYR 23 -6.987 -9.996 4.632
189 HE2 TYR 23 HE2 TYR 23 -7.079 -6.112 2.799
190 HH TYR 23 HH TYR 23 -8.637 -6.898 4.262
191 H PHE 24 H PHE 24 -4.570 -9.313 -2.373
192 HA PHE 24 HA PHE 24 -1.891 -10.522 -2.977
193 HB2 PHE 24 HB2 PHE 24 -3.584 -11.896 -3.976
194 HB3 PHE 24 HB3 PHE 24 -4.491 -10.489 -4.532
195 HD1 PHE 24 HD1 PHE 24 -1.068 -12.003 -4.833
196 HD2 PHE 24 HD2 PHE 24 -4.219 -9.793 -6.741
197 HE1 PHE 24 HE1 PHE 24 0.210 -12.016 -6.959
198 HE2 PHE 24 HE2 PHE 24 -2.941 -9.806 -8.866
199 HZ PHE 24 HZ PHE 24 -0.727 -10.917 -8.975
200 H ASN 25 H ASN 25 -0.576 -8.730 -3.190
201 HA ASN 25 HA ASN 25 -1.588 -6.162 -4.136
202 HB2 ASN 25 HB2 ASN 25 0.434 -6.952 -2.543
203 HB3 ASN 25 HB3 ASN 25 1.322 -6.795 -4.059
204 HD21 ASN 25 HD21 ASN 25 2.318 -4.766 -4.031
205 HD22 ASN 25 HD22 ASN 25 1.551 -3.318 -3.586
206 H ARG 26 H ARG 26 -2.217 -6.181 -6.290
207 HA ARG 26 HA ARG 26 -1.033 -7.701 -8.393
208 HB2 ARG 26 HB2 ARG 26 -2.301 -6.118 -9.808
209 HB3 ARG 26 HB3 ARG 26 -3.262 -6.613 -8.415
210 HG2 ARG 26 HG2 ARG 26 -2.199 -4.498 -7.277
211 HG3 ARG 26 HG3 ARG 26 -1.910 -3.981 -8.939
212 HD2 ARG 26 HD2 ARG 26 -4.338 -4.319 -9.436
213 HD3 ARG 26 HD3 ARG 26 -4.599 -4.707 -7.724
214 HE ARG 26 HE ARG 26 -4.502 -2.390 -7.323
215 HH11 ARG 26 HH11 ARG 26 -1.541 -2.351 -7.961
216 HH12 ARG 26 HH12 ARG 26 -1.469 -1.139 -9.195
217 HH21 ARG 26 HH21 ARG 26 -4.878 -1.204 -9.826
218 HH22 ARG 26 HH22 ARG 26 -3.359 -0.489 -10.251
219 H PHE 27 H PHE 27 0.148 -4.968 -6.697
220 HA PHE 27 HA PHE 27 1.734 -3.820 -8.868
221 HB2 PHE 27 HB2 PHE 27 0.764 -2.914 -6.532
222 HB3 PHE 27 HB3 PHE 27 2.365 -3.402 -5.981
223 HD1 PHE 27 HD1 PHE 27 4.397 -2.367 -6.914
224 HD2 PHE 27 HD2 PHE 27 0.474 -1.086 -8.104
225 HE1 PHE 27 HE1 PHE 27 5.370 -0.316 -7.912
226 HE2 PHE 27 HE2 PHE 27 1.446 0.965 -9.102
227 HZ PHE 27 HZ PHE 27 3.894 1.351 -9.006
228 H THR 28 H THR 28 2.778 -5.277 -5.765
229 HA THR 28 HA THR 28 5.310 -6.138 -7.065
230 HB THR 28 HB THR 28 5.239 -4.862 -4.910
231 HG1 THR 28 HG1 THR 28 6.426 -7.311 -5.296
232 HG21 THR 28 HG21 THR 28 3.168 -6.647 -4.329
233 HG22 THR 28 HG22 THR 28 3.884 -5.475 -3.223
234 HG23 THR 28 HG23 THR 28 4.486 -7.132 -3.264
235 H ASN 29 H ASN 29 2.420 -7.444 -7.124
236 HA ASN 29 HA ASN 29 1.602 -9.653 -7.279
237 HB2 ASN 29 HB2 ASN 29 3.599 -9.802 -8.723
238 HB3 ASN 29 HB3 ASN 29 4.593 -10.179 -7.315
239 HD21 ASN 29 HD21 ASN 29 1.360 -11.385 -8.391
240 HD22 ASN 29 HD22 ASN 29 1.790 -13.025 -8.316
241 H GLN 30 H GLN 30 2.574 -8.415 -4.559
242 HA GLN 30 HA GLN 30 3.487 -10.531 -2.876
243 HB2 GLN 30 HB2 GLN 30 2.691 -7.818 -2.719
244 HB3 GLN 30 HB3 GLN 30 1.714 -8.687 -1.537
245 HG2 GLN 30 HG2 GLN 30 3.669 -9.602 -0.475
246 HG3 GLN 30 HG3 GLN 30 4.711 -9.005 -1.765
247 HE21 GLN 30 HE21 GLN 30 3.559 -8.262 1.332
248 HE22 GLN 30 HE22 GLN 30 3.912 -6.602 1.340
249 H SER 31 H SER 31 2.228 -11.774 -1.320
250 HA SER 31 HA SER 31 -0.692 -12.005 -1.836
251 HB2 SER 31 HB2 SER 31 0.293 -14.643 -1.662
252 HB3 SER 31 HB3 SER 31 -0.334 -13.848 -3.102
253 HG SER 31 HG SER 31 2.339 -13.999 -2.174
254 H LEU 32 H LEU 32 -0.795 -11.102 0.351
255 HA LEU 32 HA LEU 32 0.414 -12.634 2.567
256 HB2 LEU 32 HB2 LEU 32 -1.388 -10.194 2.440
257 HB3 LEU 32 HB3 LEU 32 -0.558 -10.769 3.886
258 HG LEU 32 HG LEU 32 0.710 -9.739 1.336
259 HD11 LEU 32 HD11 LEU 32 -0.202 -8.240 3.315
260 HD12 LEU 32 HD12 LEU 32 1.371 -7.894 2.593
261 HD13 LEU 32 HD13 LEU 32 1.275 -8.773 4.120
262 HD21 LEU 32 HD21 LEU 32 2.862 -10.168 2.599
263 HD22 LEU 32 HD22 LEU 32 2.020 -11.625 2.070
264 HD23 LEU 32 HD23 LEU 32 1.917 -11.108 3.753
265 H TRP 33 H TRP 33 -1.594 -12.264 4.476
266 HA TRP 33 HA TRP 33 -3.937 -13.828 3.466
267 HB2 TRP 33 HB2 TRP 33 -2.220 -14.383 5.908
268 HB3 TRP 33 HB3 TRP 33 -3.654 -15.295 5.450
269 HD1 TRP 33 HD1 TRP 33 -0.072 -15.396 5.126
270 HE1 TRP 33 HE1 TRP 33 0.675 -16.942 3.198
271 HE3 TRP 33 HE3 TRP 33 -4.515 -15.948 2.697
272 HZ2 TRP 33 HZ2 TRP 33 -0.478 -18.241 0.919
273 HZ3 TRP 33 HZ3 TRP 33 -4.670 -17.340 0.652
274 HH2 TRP 33 HH2 TRP 33 -2.659 -18.487 -0.240
275 H GLU 34 H GLU 34 -2.892 -11.078 4.939
276 HA GLU 34 HA GLU 34 -5.509 -10.605 6.224
277 HB2 GLU 34 HB2 GLU 34 -3.344 -11.612 7.674
278 HB3 GLU 34 HB3 GLU 34 -3.304 -9.879 8.004
279 HG2 GLU 34 HG2 GLU 34 -5.290 -9.911 9.138
280 HG3 GLU 34 HG3 GLU 34 -5.985 -11.147 8.090
281 H MET 35 H MET 35 -5.908 -8.328 6.447
282 HA MET 35 HA MET 35 -4.968 -6.528 4.607
283 HB2 MET 35 HB2 MET 35 -6.350 -6.510 7.124
284 HB3 MET 35 HB3 MET 35 -5.295 -5.098 7.039
285 HG2 MET 35 HG2 MET 35 -6.511 -5.432 4.485
286 HG3 MET 35 HG3 MET 35 -7.783 -5.529 5.698
287 HE1 MET 35 HE1 MET 35 -7.892 -2.415 7.562
288 HE2 MET 35 HE2 MET 35 -8.155 -4.162 7.464
289 HE3 MET 35 HE3 MET 35 -8.999 -3.077 6.362
290 HA PRO 36 HA PRO 36 -0.725 -6.053 5.849
291 HB2 PRO 36 HB2 PRO 36 0.005 -4.433 3.774
292 HB3 PRO 36 HB3 PRO 36 -0.216 -6.184 3.598
293 HG2 PRO 36 HG2 PRO 36 -1.968 -3.967 2.742
294 HG3 PRO 36 HG3 PRO 36 -1.751 -5.577 2.042
295 HD2 PRO 36 HD2 PRO 36 -3.881 -4.752 3.656
296 HD3 PRO 36 HD3 PRO 36 -3.469 -6.428 3.245
297 H VAL 37 H VAL 37 0.703 -3.712 5.499
298 HA VAL 37 HA VAL 37 -0.946 -1.591 6.828
299 HB VAL 37 HB VAL 37 1.885 -2.365 7.576
300 HG11 VAL 37 HG11 VAL 37 1.518 -0.276 8.506
301 HG12 VAL 37 HG12 VAL 37 0.852 -1.293 9.784
302 HG13 VAL 37 HG13 VAL 37 -0.225 -0.519 8.621
303 HG21 VAL 37 HG21 VAL 37 -0.770 -3.423 8.550
304 HG22 VAL 37 HG22 VAL 37 0.650 -3.424 9.596
305 HG23 VAL 37 HG23 VAL 37 0.669 -4.330 8.083
306 H LEU 38 H LEU 38 0.493 0.523 6.890
307 HA LEU 38 HA LEU 38 2.269 0.744 4.513
308 HB2 LEU 38 HB2 LEU 38 -0.502 1.428 4.585
309 HB3 LEU 38 HB3 LEU 38 0.415 2.934 4.510
310 HG LEU 38 HG LEU 38 1.100 0.627 2.697
311 HD11 LEU 38 HD11 LEU 38 -1.382 2.016 2.716
312 HD12 LEU 38 HD12 LEU 38 -0.779 0.901 1.489
313 HD13 LEU 38 HD13 LEU 38 -0.456 2.630 1.347
314 HD21 LEU 38 HD21 LEU 38 2.656 2.114 2.028
315 HD22 LEU 38 HD22 LEU 38 2.017 3.319 3.146
316 HD23 LEU 38 HD23 LEU 38 1.364 3.197 1.512
317 H GLY 39 H GLY 39 3.728 2.498 4.694
318 HA2 GLY 39 HA2 GLY 39 3.662 3.914 7.326
319 HA3 GLY 39 HA3 GLY 39 5.137 3.565 6.422
320 H GLN 40 H GLN 40 3.500 4.321 3.905
321 HA GLN 40 HA GLN 40 4.485 6.969 3.579
322 HB2 GLN 40 HB2 GLN 40 2.767 5.025 2.207
323 HB3 GLN 40 HB3 GLN 40 2.329 6.696 1.851
324 HG2 GLN 40 HG2 GLN 40 5.165 6.557 1.798
325 HG3 GLN 40 HG3 GLN 40 4.565 5.188 0.862
326 HE21 GLN 40 HE21 GLN 40 5.383 8.421 0.559
327 HE22 GLN 40 HE22 GLN 40 4.441 8.811 -0.799
328 H HIS 41 H HIS 41 2.591 8.682 2.791
329 HA HIS 41 HA HIS 41 1.136 10.311 3.719
330 HB2 HIS 41 HB2 HIS 41 -0.214 8.248 2.937
331 HB3 HIS 41 HB3 HIS 41 -0.360 7.856 4.651
332 HD1 HIS 41 HD1 HIS 41 -1.916 9.304 6.079
333 HD2 HIS 41 HD2 HIS 41 -1.551 10.686 2.163
334 HE1 HIS 41 HE1 HIS 41 -3.682 11.094 5.783
335 H ASP 42 H ASP 42 3.110 10.366 5.436
336 HA ASP 42 HA ASP 42 1.914 9.878 8.147
337 HB2 ASP 42 HB2 ASP 42 4.556 9.337 6.906
338 HB3 ASP 42 HB3 ASP 42 4.602 9.951 8.559
339 H VAL 43 H VAL 43 3.753 11.325 9.638
340 HA VAL 43 HA VAL 43 3.155 14.118 8.769
341 HB VAL 43 HB VAL 43 3.805 12.748 11.387
342 HG11 VAL 43 HG11 VAL 43 3.253 15.276 12.150
343 HG12 VAL 43 HG12 VAL 43 4.045 15.612 10.610
344 HG13 VAL 43 HG13 VAL 43 4.899 14.710 11.863
345 HG21 VAL 43 HG21 VAL 43 1.417 13.793 10.012
346 HG22 VAL 43 HG22 VAL 43 1.557 14.313 11.692
347 HG23 VAL 43 HG23 VAL 43 1.537 12.593 11.300
348 H ILE 44 H ILE 44 5.059 13.852 7.193
349 HA ILE 44 HA ILE 44 7.733 13.413 7.860
350 HB ILE 44 HB ILE 44 6.541 15.550 6.059
351 HG12 ILE 44 HG12 ILE 44 7.526 12.979 4.966
352 HG13 ILE 44 HG13 ILE 44 6.062 12.867 5.945
353 HG21 ILE 44 HG21 ILE 44 8.931 15.900 6.390
354 HG22 ILE 44 HG22 ILE 44 8.666 15.231 4.781
355 HG23 ILE 44 HG23 ILE 44 9.255 14.195 6.081
356 HD11 ILE 44 HD11 ILE 44 4.934 13.511 4.096
357 HD12 ILE 44 HD12 ILE 44 6.420 13.983 3.269
358 HD13 ILE 44 HD13 ILE 44 5.622 15.114 4.363
359 H SER 45 H SER 45 9.153 14.447 9.216
360 HA SER 45 HA SER 45 8.289 16.908 10.600
361 HB2 SER 45 HB2 SER 45 10.668 15.043 10.842
362 HB3 SER 45 HB3 SER 45 10.380 16.410 11.915
363 HG SER 45 HG SER 45 9.364 14.818 12.940
364 H ASP 46 H ASP 46 11.664 16.312 9.876
365 HA ASP 46 HA ASP 46 12.067 19.020 8.928
366 HB2 ASP 46 HB2 ASP 46 13.635 16.518 9.365
367 HB3 ASP 46 HB3 ASP 46 14.344 17.734 8.301
368 HA PRO 47 HA PRO 47 11.165 18.323 4.668
369 HB2 PRO 47 HB2 PRO 47 12.466 20.496 3.631
370 HB3 PRO 47 HB3 PRO 47 10.923 20.618 4.499
371 HG2 PRO 47 HG2 PRO 47 13.682 21.181 5.456
372 HG3 PRO 47 HG3 PRO 47 12.168 22.027 5.811
373 HD2 PRO 47 HD2 PRO 47 13.360 20.262 7.525
374 HD3 PRO 47 HD3 PRO 47 11.614 20.595 7.503
Start of MODEL 3
1 H LEU 1 H LEU 1 -10.549 -2.086 3.152
2 HA LEU 1 HA LEU 1 -7.910 -1.994 3.484
3 HB2 LEU 1 HB2 LEU 1 -8.514 -2.454 0.544
4 HB3 LEU 1 HB3 LEU 1 -6.946 -1.967 1.187
5 HG LEU 1 HG LEU 1 -8.234 -4.386 2.372
6 HD11 LEU 1 HD11 LEU 1 -7.687 -4.094 -0.456
7 HD12 LEU 1 HD12 LEU 1 -8.368 -5.475 0.404
8 HD13 LEU 1 HD13 LEU 1 -6.619 -5.305 0.252
9 HD21 LEU 1 HD21 LEU 1 -5.690 -3.072 2.366
10 HD22 LEU 1 HD22 LEU 1 -5.482 -4.673 1.658
11 HD23 LEU 1 HD23 LEU 1 -6.172 -4.506 3.272
12 HA PRO 2 HA PRO 2 -9.647 2.084 2.968
13 HB2 PRO 2 HB2 PRO 2 -7.549 3.439 4.087
14 HB3 PRO 2 HB3 PRO 2 -8.774 2.585 5.047
15 HG2 PRO 2 HG2 PRO 2 -6.018 1.740 4.309
16 HG3 PRO 2 HG3 PRO 2 -6.903 1.505 5.824
17 HD2 PRO 2 HD2 PRO 2 -6.583 -0.447 3.944
18 HD3 PRO 2 HD3 PRO 2 -7.959 -0.378 5.067
19 H GLU 3 H GLU 3 -8.876 4.143 1.883
20 HA GLU 3 HA GLU 3 -7.881 3.756 -0.706
21 HB2 GLU 3 HB2 GLU 3 -8.586 5.891 1.065
22 HB3 GLU 3 HB3 GLU 3 -7.085 6.332 0.250
23 HG2 GLU 3 HG2 GLU 3 -8.332 5.447 -1.895
24 HG3 GLU 3 HG3 GLU 3 -9.780 5.748 -0.934
25 H GLU 4 H GLU 4 -6.092 4.092 2.298
26 HA GLU 4 HA GLU 4 -3.536 4.822 1.316
27 HB2 GLU 4 HB2 GLU 4 -4.543 3.152 3.620
28 HB3 GLU 4 HB3 GLU 4 -2.822 3.478 3.407
29 HG2 GLU 4 HG2 GLU 4 -3.915 5.980 3.083
30 HG3 GLU 4 HG3 GLU 4 -4.971 5.276 4.308
31 H LEU 5 H LEU 5 -4.756 1.527 1.974
32 HA LEU 5 HA LEU 5 -2.495 0.238 0.699
33 HB2 LEU 5 HB2 LEU 5 -5.193 -0.564 1.761
34 HB3 LEU 5 HB3 LEU 5 -4.199 -1.738 0.900
35 HG LEU 5 HG LEU 5 -3.192 -0.109 3.244
36 HD11 LEU 5 HD11 LEU 5 -4.052 -3.010 3.277
37 HD12 LEU 5 HD12 LEU 5 -5.109 -1.695 3.790
38 HD13 LEU 5 HD13 LEU 5 -3.602 -2.003 4.654
39 HD21 LEU 5 HD21 LEU 5 -1.593 -2.204 3.195
40 HD22 LEU 5 HD22 LEU 5 -1.315 -0.868 2.078
41 HD23 LEU 5 HD23 LEU 5 -2.130 -2.329 1.520
42 H VAL 6 H VAL 6 -5.832 0.950 -0.308
43 HA VAL 6 HA VAL 6 -5.935 -0.418 -2.759
44 HB VAL 6 HB VAL 6 -6.977 2.331 -1.996
45 HG11 VAL 6 HG11 VAL 6 -6.958 1.309 -4.512
46 HG12 VAL 6 HG12 VAL 6 -8.248 2.344 -3.897
47 HG13 VAL 6 HG13 VAL 6 -8.448 0.592 -3.898
48 HG21 VAL 6 HG21 VAL 6 -9.023 1.098 -1.384
49 HG22 VAL 6 HG22 VAL 6 -7.645 0.508 -0.455
50 HG23 VAL 6 HG23 VAL 6 -8.247 -0.422 -1.826
51 H HIS 7 H HIS 7 -4.438 2.704 -1.999
52 HA HIS 7 HA HIS 7 -3.753 3.462 -4.681
53 HB2 HIS 7 HB2 HIS 7 -3.494 4.401 -2.022
54 HB3 HIS 7 HB3 HIS 7 -1.861 4.357 -2.686
55 HD1 HIS 7 HD1 HIS 7 -1.278 6.522 -3.753
56 HD2 HIS 7 HD2 HIS 7 -5.315 5.616 -4.263
57 HE1 HIS 7 HE1 HIS 7 -2.270 8.415 -5.110
58 H ALA 8 H ALA 8 -2.032 1.568 -2.202
59 HA ALA 8 HA ALA 8 0.464 1.336 -3.589
60 HB1 ALA 8 HB1 ALA 8 0.647 0.672 -1.401
61 HB2 ALA 8 HB2 ALA 8 0.292 -0.918 -2.080
62 HB3 ALA 8 HB3 ALA 8 -0.999 0.041 -1.355
63 H GLY 9 H GLY 9 -2.504 -0.603 -3.683
64 HA2 GLY 9 HA2 GLY 9 -2.968 -1.580 -5.984
65 HA3 GLY 9 HA3 GLY 9 -1.303 -2.160 -5.939
66 H TRP 10 H TRP 10 -3.185 -2.204 -3.005
67 HA TRP 10 HA TRP 10 -2.967 -5.148 -2.923
68 HB2 TRP 10 HB2 TRP 10 -3.728 -2.919 -1.041
69 HB3 TRP 10 HB3 TRP 10 -4.053 -4.598 -0.607
70 HD1 TRP 10 HD1 TRP 10 -1.273 -2.083 -0.979
71 HE1 TRP 10 HE1 TRP 10 0.952 -3.137 -0.208
72 HE3 TRP 10 HE3 TRP 10 -2.734 -6.955 -0.452
73 HZ2 TRP 10 HZ2 TRP 10 1.974 -5.702 0.535
74 HZ3 TRP 10 HZ3 TRP 10 -1.115 -8.676 0.288
75 HH2 TRP 10 HH2 TRP 10 1.234 -8.057 0.783
76 H GLU 11 H GLU 11 -4.897 -6.473 -2.410
77 HA GLU 11 HA GLU 11 -7.565 -5.317 -2.806
78 HB2 GLU 11 HB2 GLU 11 -7.887 -6.816 -4.871
79 HB3 GLU 11 HB3 GLU 11 -6.888 -5.380 -5.095
80 HG2 GLU 11 HG2 GLU 11 -4.891 -6.612 -5.112
81 HG3 GLU 11 HG3 GLU 11 -5.625 -7.992 -4.295
82 H LYS 12 H LYS 12 -8.899 -6.538 -1.530
83 HA LYS 12 HA LYS 12 -8.007 -9.053 -0.369
84 HB2 LYS 12 HB2 LYS 12 -9.626 -7.068 0.414
85 HB3 LYS 12 HB3 LYS 12 -10.849 -8.127 -0.288
86 HG2 LYS 12 HG2 LYS 12 -9.287 -9.887 1.162
87 HG3 LYS 12 HG3 LYS 12 -9.300 -8.448 2.184
88 HD2 LYS 12 HD2 LYS 12 -11.434 -8.828 2.791
89 HD3 LYS 12 HD3 LYS 12 -11.940 -8.928 1.104
90 HE2 LYS 12 HE2 LYS 12 -10.619 -11.322 1.422
91 HE3 LYS 12 HE3 LYS 12 -11.380 -11.103 3.011
92 HZ1 LYS 12 HZ1 LYS 12 -12.779 -12.118 1.119
93 HZ2 LYS 12 HZ2 LYS 12 -12.879 -10.529 0.536
94 HZ3 LYS 12 HZ3 LYS 12 -13.476 -10.904 2.082
95 H CYS 13 H CYS 13 -8.556 -11.127 -1.027
96 HA CYS 13 HA CYS 13 -10.770 -11.526 -2.959
97 HB2 CYS 13 HB2 CYS 13 -7.825 -11.949 -3.503
98 HB3 CYS 13 HB3 CYS 13 -9.072 -12.766 -4.446
99 HG CYS 13 HG CYS 13 -8.920 -9.641 -4.287
100 H TRP 14 H TRP 14 -10.619 -14.058 -3.595
101 HA TRP 14 HA TRP 14 -10.172 -15.547 -1.024
102 HB2 TRP 14 HB2 TRP 14 -12.513 -15.336 -1.617
103 HB3 TRP 14 HB3 TRP 14 -12.187 -15.850 -3.273
104 HD1 TRP 14 HD1 TRP 14 -11.723 -18.412 -3.711
105 HE1 TRP 14 HE1 TRP 14 -12.164 -20.523 -2.299
106 HE3 TRP 14 HE3 TRP 14 -12.593 -16.263 0.838
107 HZ2 TRP 14 HZ2 TRP 14 -12.803 -21.209 0.404
108 HZ3 TRP 14 HZ3 TRP 14 -13.116 -17.666 2.813
109 HH2 TRP 14 HH2 TRP 14 -13.221 -20.134 2.602
110 H SER 15 H SER 15 -8.241 -16.663 -1.323
111 HA SER 15 HA SER 15 -7.302 -17.570 -3.913
112 HB2 SER 15 HB2 SER 15 -5.742 -17.000 -2.171
113 HB3 SER 15 HB3 SER 15 -6.528 -18.087 -1.029
114 HG SER 15 HG SER 15 -4.561 -18.884 -2.081
115 H ARG 16 H ARG 16 -7.992 -19.404 -4.945
116 HA ARG 16 HA ARG 16 -9.825 -21.274 -3.689
117 HB2 ARG 16 HB2 ARG 16 -8.292 -21.312 -6.310
118 HB3 ARG 16 HB3 ARG 16 -9.651 -22.368 -5.916
119 HG2 ARG 16 HG2 ARG 16 -11.183 -20.556 -5.846
120 HG3 ARG 16 HG3 ARG 16 -9.888 -19.360 -5.772
121 HD2 ARG 16 HD2 ARG 16 -10.199 -21.201 -8.156
122 HD3 ARG 16 HD3 ARG 16 -11.034 -19.637 -8.060
123 HE ARG 16 HE ARG 16 -8.058 -19.906 -7.822
124 HH11 ARG 16 HH11 ARG 16 -10.125 -17.487 -7.292
125 HH12 ARG 16 HH12 ARG 16 -9.666 -16.480 -8.624
126 HH21 ARG 16 HH21 ARG 16 -7.804 -18.950 -10.193
127 HH22 ARG 16 HH22 ARG 16 -8.352 -17.309 -10.266
128 H ARG 17 H ARG 17 -6.352 -21.158 -4.141
129 HA ARG 17 HA ARG 17 -5.893 -24.011 -3.767
130 HB2 ARG 17 HB2 ARG 17 -4.292 -21.476 -3.875
131 HB3 ARG 17 HB3 ARG 17 -3.519 -22.945 -3.278
132 HG2 ARG 17 HG2 ARG 17 -4.791 -23.884 -5.512
133 HG3 ARG 17 HG3 ARG 17 -4.368 -22.248 -6.017
134 HD2 ARG 17 HD2 ARG 17 -2.026 -22.623 -5.540
135 HD3 ARG 17 HD3 ARG 17 -2.383 -24.185 -4.778
136 HE ARG 17 HE ARG 17 -2.823 -23.617 -7.686
137 HH11 ARG 17 HH11 ARG 17 -3.392 -25.861 -5.251
138 HH12 ARG 17 HH12 ARG 17 -2.725 -27.214 -6.101
139 HH21 ARG 17 HH21 ARG 17 -1.461 -25.295 -8.698
140 HH22 ARG 17 HH22 ARG 17 -1.631 -26.893 -8.053
141 H GLU 18 H GLU 18 -5.578 -21.136 -1.684
142 HA GLU 18 HA GLU 18 -4.909 -22.723 0.685
143 HB2 GLU 18 HB2 GLU 18 -4.916 -19.992 -0.229
144 HB3 GLU 18 HB3 GLU 18 -5.735 -20.088 1.330
145 HG2 GLU 18 HG2 GLU 18 -3.002 -21.252 0.723
146 HG3 GLU 18 HG3 GLU 18 -3.289 -19.746 1.594
147 H ASN 19 H ASN 19 -7.787 -21.886 -0.930
148 HA ASN 19 HA ASN 19 -10.058 -22.160 -0.354
149 HB2 ASN 19 HB2 ASN 19 -9.131 -24.350 0.365
150 HB3 ASN 19 HB3 ASN 19 -8.779 -23.666 1.950
151 HD21 ASN 19 HD21 ASN 19 -11.328 -24.928 -0.097
152 HD22 ASN 19 HD22 ASN 19 -12.575 -24.803 1.048
153 H ARG 20 H ARG 20 -9.039 -19.700 0.347
154 HA ARG 20 HA ARG 20 -10.784 -18.844 2.467
155 HB2 ARG 20 HB2 ARG 20 -8.921 -18.255 4.074
156 HB3 ARG 20 HB3 ARG 20 -9.181 -19.988 3.874
157 HG2 ARG 20 HG2 ARG 20 -7.002 -20.169 3.327
158 HG3 ARG 20 HG3 ARG 20 -7.371 -19.286 1.845
159 HD2 ARG 20 HD2 ARG 20 -6.463 -17.332 2.633
160 HD3 ARG 20 HD3 ARG 20 -7.030 -17.622 4.288
161 HE ARG 20 HE ARG 20 -4.656 -18.986 3.077
162 HH11 ARG 20 HH11 ARG 20 -5.306 -16.787 5.406
163 HH12 ARG 20 HH12 ARG 20 -4.682 -17.693 6.744
164 HH21 ARG 20 HH21 ARG 20 -4.373 -20.642 4.946
165 HH22 ARG 20 HH22 ARG 20 -4.153 -19.875 6.484
166 HA PRO 21 HA PRO 21 -9.615 -15.026 0.646
167 HB2 PRO 21 HB2 PRO 21 -10.220 -13.259 2.642
168 HB3 PRO 21 HB3 PRO 21 -11.445 -14.133 1.708
169 HG2 PRO 21 HG2 PRO 21 -10.616 -14.503 4.484
170 HG3 PRO 21 HG3 PRO 21 -12.086 -15.034 3.659
171 HD2 PRO 21 HD2 PRO 21 -9.763 -16.587 4.312
172 HD3 PRO 21 HD3 PRO 21 -11.256 -17.126 3.514
173 H TYR 22 H TYR 22 -8.200 -13.058 0.872
174 HA TYR 22 HA TYR 22 -6.201 -12.896 2.963
175 HB2 TYR 22 HB2 TYR 22 -4.338 -13.809 1.689
176 HB3 TYR 22 HB3 TYR 22 -5.616 -15.018 1.762
177 HD1 TYR 22 HD1 TYR 22 -7.386 -14.900 -0.204
178 HD2 TYR 22 HD2 TYR 22 -3.410 -13.287 -0.392
179 HE1 TYR 22 HE1 TYR 22 -7.476 -14.971 -2.682
180 HE2 TYR 22 HE2 TYR 22 -3.500 -13.357 -2.870
181 HH TYR 22 HH TYR 22 -4.889 -14.840 -4.617
182 H TYR 23 H TYR 23 -4.098 -11.890 1.236
183 HA TYR 23 HA TYR 23 -5.456 -9.568 -0.089
184 HB2 TYR 23 HB2 TYR 23 -3.098 -9.627 1.820
185 HB3 TYR 23 HB3 TYR 23 -3.576 -8.199 0.905
186 HD1 TYR 23 HD1 TYR 23 -4.735 -10.655 3.452
187 HD2 TYR 23 HD2 TYR 23 -5.426 -6.853 1.576
188 HE1 TYR 23 HE1 TYR 23 -6.449 -10.122 5.162
189 HE2 TYR 23 HE2 TYR 23 -7.141 -6.321 3.286
190 HH TYR 23 HH TYR 23 -8.662 -8.368 5.059
191 H PHE 24 H PHE 24 -4.719 -9.292 -2.165
192 HA PHE 24 HA PHE 24 -2.097 -10.560 -2.891
193 HB2 PHE 24 HB2 PHE 24 -3.997 -11.734 -3.845
194 HB3 PHE 24 HB3 PHE 24 -4.691 -10.220 -4.426
195 HD1 PHE 24 HD1 PHE 24 -3.529 -8.919 -6.224
196 HD2 PHE 24 HD2 PHE 24 -2.259 -12.854 -5.057
197 HE1 PHE 24 HE1 PHE 24 -2.228 -9.122 -8.325
198 HE2 PHE 24 HE2 PHE 24 -0.956 -13.055 -7.159
199 HZ PHE 24 HZ PHE 24 -0.941 -11.189 -8.792
200 H ASN 25 H ASN 25 -0.631 -8.924 -3.172
201 HA ASN 25 HA ASN 25 -1.463 -6.226 -3.969
202 HB2 ASN 25 HB2 ASN 25 0.455 -7.135 -2.382
203 HB3 ASN 25 HB3 ASN 25 1.368 -7.204 -3.884
204 HD21 ASN 25 HD21 ASN 25 -1.086 -4.815 -2.827
205 HD22 ASN 25 HD22 ASN 25 -0.060 -3.470 -2.953
206 H ARG 26 H ARG 26 -2.139 -6.194 -6.134
207 HA ARG 26 HA ARG 26 -0.975 -7.728 -8.258
208 HB2 ARG 26 HB2 ARG 26 -2.336 -6.285 -9.644
209 HB3 ARG 26 HB3 ARG 26 -3.225 -6.563 -8.148
210 HG2 ARG 26 HG2 ARG 26 -2.242 -4.412 -7.263
211 HG3 ARG 26 HG3 ARG 26 -1.597 -4.115 -8.878
212 HD2 ARG 26 HD2 ARG 26 -3.914 -4.253 -9.801
213 HD3 ARG 26 HD3 ARG 26 -4.530 -4.440 -8.147
214 HE ARG 26 HE ARG 26 -2.838 -2.190 -8.104
215 HH11 ARG 26 HH11 ARG 26 -4.514 -2.380 -10.844
216 HH12 ARG 26 HH12 ARG 26 -5.702 -1.171 -10.489
217 HH21 ARG 26 HH21 ARG 26 -4.893 -0.984 -7.122
218 HH22 ARG 26 HH22 ARG 26 -5.918 -0.382 -8.382
219 H PHE 27 H PHE 27 0.224 -5.056 -6.514
220 HA PHE 27 HA PHE 27 1.777 -3.841 -8.679
221 HB2 PHE 27 HB2 PHE 27 0.803 -3.024 -6.291
222 HB3 PHE 27 HB3 PHE 27 2.446 -3.444 -5.807
223 HD1 PHE 27 HD1 PHE 27 0.461 -1.419 -8.223
224 HD2 PHE 27 HD2 PHE 27 4.292 -2.064 -6.391
225 HE1 PHE 27 HE1 PHE 27 1.292 0.695 -9.217
226 HE2 PHE 27 HE2 PHE 27 5.123 0.051 -7.384
227 HZ PHE 27 HZ PHE 27 3.623 1.430 -8.798
228 H THR 28 H THR 28 2.783 -5.438 -5.622
229 HA THR 28 HA THR 28 5.351 -6.199 -6.918
230 HB THR 28 HB THR 28 5.264 -5.042 -4.707
231 HG1 THR 28 HG1 THR 28 6.879 -6.224 -3.987
232 HG21 THR 28 HG21 THR 28 4.422 -7.422 -3.232
233 HG22 THR 28 HG22 THR 28 3.137 -6.753 -4.236
234 HG23 THR 28 HG23 THR 28 3.927 -5.740 -3.027
235 H ASN 29 H ASN 29 2.433 -7.511 -6.988
236 HA ASN 29 HA ASN 29 1.623 -9.707 -7.274
237 HB2 ASN 29 HB2 ASN 29 3.601 -9.749 -8.762
238 HB3 ASN 29 HB3 ASN 29 4.609 -10.238 -7.402
239 HD21 ASN 29 HD21 ASN 29 5.032 -12.246 -8.760
240 HD22 ASN 29 HD22 ASN 29 3.897 -13.507 -8.711
241 H GLN 30 H GLN 30 2.577 -8.636 -4.511
242 HA GLN 30 HA GLN 30 3.533 -10.883 -2.991
243 HB2 GLN 30 HB2 GLN 30 2.791 -8.144 -2.646
244 HB3 GLN 30 HB3 GLN 30 1.951 -9.092 -1.420
245 HG2 GLN 30 HG2 GLN 30 3.959 -9.944 -0.527
246 HG3 GLN 30 HG3 GLN 30 4.880 -9.521 -1.969
247 HE21 GLN 30 HE21 GLN 30 5.675 -8.653 0.662
248 HE22 GLN 30 HE22 GLN 30 5.522 -6.965 0.728
249 H SER 31 H SER 31 2.225 -11.977 -1.289
250 HA SER 31 HA SER 31 -0.697 -12.153 -1.791
251 HB2 SER 31 HB2 SER 31 0.632 -14.770 -1.573
252 HB3 SER 31 HB3 SER 31 -0.599 -14.235 -2.712
253 HG SER 31 HG SER 31 2.205 -13.933 -2.822
254 H LEU 32 H LEU 32 -0.747 -11.204 0.371
255 HA LEU 32 HA LEU 32 0.485 -12.667 2.610
256 HB2 LEU 32 HB2 LEU 32 -1.370 -10.269 2.447
257 HB3 LEU 32 HB3 LEU 32 -0.491 -10.781 3.887
258 HG LEU 32 HG LEU 32 0.679 -9.789 1.279
259 HD11 LEU 32 HD11 LEU 32 0.635 -8.799 4.136
260 HD12 LEU 32 HD12 LEU 32 0.076 -7.964 2.687
261 HD13 LEU 32 HD13 LEU 32 1.802 -8.203 2.956
262 HD21 LEU 32 HD21 LEU 32 2.849 -10.119 2.765
263 HD22 LEU 32 HD22 LEU 32 2.205 -11.458 1.816
264 HD23 LEU 32 HD23 LEU 32 1.863 -11.357 3.543
265 H TRP 33 H TRP 33 -1.442 -12.352 4.558
266 HA TRP 33 HA TRP 33 -3.818 -13.915 3.632
267 HB2 TRP 33 HB2 TRP 33 -1.991 -14.498 5.983
268 HB3 TRP 33 HB3 TRP 33 -3.427 -15.425 5.555
269 HD1 TRP 33 HD1 TRP 33 0.137 -15.486 5.099
270 HE1 TRP 33 HE1 TRP 33 0.825 -16.939 3.076
271 HE3 TRP 33 HE3 TRP 33 -4.383 -15.945 2.795
272 HZ2 TRP 33 HZ2 TRP 33 -0.400 -18.136 0.779
273 HZ3 TRP 33 HZ3 TRP 33 -4.603 -17.243 0.693
274 HH2 TRP 33 HH2 TRP 33 -2.619 -18.338 -0.317
275 H GLU 34 H GLU 34 -2.739 -11.175 5.073
276 HA GLU 34 HA GLU 34 -5.290 -10.758 6.503
277 HB2 GLU 34 HB2 GLU 34 -2.901 -11.618 7.797
278 HB3 GLU 34 HB3 GLU 34 -3.155 -9.930 8.243
279 HG2 GLU 34 HG2 GLU 34 -5.567 -10.553 8.759
280 HG3 GLU 34 HG3 GLU 34 -5.078 -12.239 8.591
281 H MET 35 H MET 35 -5.691 -8.480 6.833
282 HA MET 35 HA MET 35 -4.947 -6.646 4.933
283 HB2 MET 35 HB2 MET 35 -6.139 -6.678 7.526
284 HB3 MET 35 HB3 MET 35 -5.055 -5.287 7.448
285 HG2 MET 35 HG2 MET 35 -6.552 -5.597 4.978
286 HG3 MET 35 HG3 MET 35 -7.631 -5.448 6.363
287 HE1 MET 35 HE1 MET 35 -6.873 -2.552 8.203
288 HE2 MET 35 HE2 MET 35 -7.819 -4.004 7.845
289 HE3 MET 35 HE3 MET 35 -8.227 -2.472 7.078
290 HA PRO 36 HA PRO 36 -0.626 -6.078 5.809
291 HB2 PRO 36 HB2 PRO 36 -0.110 -4.449 3.678
292 HB3 PRO 36 HB3 PRO 36 -0.310 -6.205 3.524
293 HG2 PRO 36 HG2 PRO 36 -2.157 -4.030 2.788
294 HG3 PRO 36 HG3 PRO 36 -1.999 -5.657 2.117
295 HD2 PRO 36 HD2 PRO 36 -3.959 -4.767 3.931
296 HD3 PRO 36 HD3 PRO 36 -3.635 -6.449 3.462
297 H VAL 37 H VAL 37 0.779 -3.800 5.499
298 HA VAL 37 HA VAL 37 -0.788 -1.710 6.978
299 HB VAL 37 HB VAL 37 2.134 -2.496 7.228
300 HG11 VAL 37 HG11 VAL 37 1.996 -0.256 7.924
301 HG12 VAL 37 HG12 VAL 37 1.753 -1.143 9.429
302 HG13 VAL 37 HG13 VAL 37 0.370 -0.460 8.574
303 HG21 VAL 37 HG21 VAL 37 0.585 -4.254 8.043
304 HG22 VAL 37 HG22 VAL 37 -0.223 -3.059 9.058
305 HG23 VAL 37 HG23 VAL 37 1.456 -3.494 9.376
306 H LEU 38 H LEU 38 0.403 0.500 6.778
307 HA LEU 38 HA LEU 38 1.848 0.834 4.201
308 HB2 LEU 38 HB2 LEU 38 -0.882 1.030 4.329
309 HB3 LEU 38 HB3 LEU 38 -0.401 2.702 4.622
310 HG LEU 38 HG LEU 38 -0.699 2.230 2.201
311 HD11 LEU 38 HD11 LEU 38 2.223 2.552 2.328
312 HD12 LEU 38 HD12 LEU 38 1.340 3.610 3.430
313 HD13 LEU 38 HD13 LEU 38 0.997 3.653 1.700
314 HD21 LEU 38 HD21 LEU 38 1.794 0.616 2.132
315 HD22 LEU 38 HD22 LEU 38 0.353 0.502 1.122
316 HD23 LEU 38 HD23 LEU 38 0.356 -0.206 2.737
317 H GLY 39 H GLY 39 3.024 2.832 4.127
318 HA2 GLY 39 HA2 GLY 39 3.205 5.139 5.232
319 HA3 GLY 39 HA3 GLY 39 3.168 4.249 6.756
320 H GLN 40 H GLN 40 5.095 4.945 3.896
321 HA GLN 40 HA GLN 40 7.361 3.294 4.694
322 HB2 GLN 40 HB2 GLN 40 6.683 5.352 2.626
323 HB3 GLN 40 HB3 GLN 40 8.385 4.973 2.895
324 HG2 GLN 40 HG2 GLN 40 7.212 2.471 2.827
325 HG3 GLN 40 HG3 GLN 40 6.296 3.361 1.610
326 HE21 GLN 40 HE21 GLN 40 7.360 3.886 -0.360
327 HE22 GLN 40 HE22 GLN 40 8.974 3.475 -0.688
328 H HIS 41 H HIS 41 6.210 6.474 5.490
329 HA HIS 41 HA HIS 41 8.556 6.874 7.261
330 HB2 HIS 41 HB2 HIS 41 8.787 9.211 6.271
331 HB3 HIS 41 HB3 HIS 41 9.276 7.896 5.203
332 HD1 HIS 41 HD1 HIS 41 7.017 10.760 5.402
333 HD2 HIS 41 HD2 HIS 41 7.127 7.178 3.270
334 HE1 HIS 41 HE1 HIS 41 5.388 11.019 3.479
335 H ASP 42 H ASP 42 6.657 6.461 8.762
336 HA ASP 42 HA ASP 42 4.654 8.635 8.936
337 HB2 ASP 42 HB2 ASP 42 5.169 5.968 10.240
338 HB3 ASP 42 HB3 ASP 42 4.007 7.088 10.951
339 H VAL 43 H VAL 43 4.313 8.864 11.667
340 HA VAL 43 HA VAL 43 6.803 10.299 12.470
341 HB VAL 43 HB VAL 43 3.889 10.412 13.290
342 HG11 VAL 43 HG11 VAL 43 5.135 10.802 15.309
343 HG12 VAL 43 HG12 VAL 43 4.652 12.384 14.696
344 HG13 VAL 43 HG13 VAL 43 6.304 11.815 14.460
345 HG21 VAL 43 HG21 VAL 43 4.030 12.679 12.357
346 HG22 VAL 43 HG22 VAL 43 4.546 11.500 11.150
347 HG23 VAL 43 HG23 VAL 43 5.747 12.451 12.023
348 H ILE 44 H ILE 44 8.008 8.504 13.331
349 HA ILE 44 HA ILE 44 6.751 7.062 15.635
350 HB ILE 44 HB ILE 44 9.316 6.428 14.154
351 HG12 ILE 44 HG12 ILE 44 6.508 5.447 13.542
352 HG13 ILE 44 HG13 ILE 44 7.411 6.598 12.558
353 HG21 ILE 44 HG21 ILE 44 7.870 5.276 16.361
354 HG22 ILE 44 HG22 ILE 44 9.398 4.752 15.654
355 HG23 ILE 44 HG23 ILE 44 7.873 4.140 15.013
356 HD11 ILE 44 HD11 ILE 44 8.496 4.919 11.527
357 HD12 ILE 44 HD12 ILE 44 7.508 3.768 12.427
358 HD13 ILE 44 HD13 ILE 44 9.060 4.297 13.078
359 H SER 45 H SER 45 7.509 7.511 17.676
360 HA SER 45 HA SER 45 9.367 9.642 18.176
361 HB2 SER 45 HB2 SER 45 8.143 7.419 19.821
362 HB3 SER 45 HB3 SER 45 9.197 8.636 20.537
363 HG SER 45 HG SER 45 6.905 9.135 20.577
364 H ASP 46 H ASP 46 11.528 9.458 17.697
365 HA ASP 46 HA ASP 46 13.124 7.348 18.930
366 HB2 ASP 46 HB2 ASP 46 12.184 7.221 16.122
367 HB3 ASP 46 HB3 ASP 46 13.900 6.884 16.355
368 HA PRO 47 HA PRO 47 15.520 11.132 18.345
369 HB2 PRO 47 HB2 PRO 47 17.259 10.614 20.393
370 HB3 PRO 47 HB3 PRO 47 15.648 11.314 20.648
371 HG2 PRO 47 HG2 PRO 47 16.575 8.510 21.016
372 HG3 PRO 47 HG3 PRO 47 15.437 9.461 21.985
373 HD2 PRO 47 HD2 PRO 47 14.670 7.568 20.170
374 HD3 PRO 47 HD3 PRO 47 13.665 8.958 20.632
Start of MODEL 4
1 H LEU 1 H LEU 1 -10.686 -1.666 3.633
2 HA LEU 1 HA LEU 1 -7.738 -1.671 3.374
3 HB2 LEU 1 HB2 LEU 1 -9.889 -2.740 1.585
4 HB3 LEU 1 HB3 LEU 1 -8.526 -1.907 0.837
5 HG LEU 1 HG LEU 1 -8.057 -4.043 2.905
6 HD11 LEU 1 HD11 LEU 1 -9.556 -4.933 1.078
7 HD12 LEU 1 HD12 LEU 1 -7.983 -5.726 1.170
8 HD13 LEU 1 HD13 LEU 1 -8.291 -4.520 -0.080
9 HD21 LEU 1 HD21 LEU 1 -6.235 -3.923 0.670
10 HD22 LEU 1 HD22 LEU 1 -5.905 -3.630 2.377
11 HD23 LEU 1 HD23 LEU 1 -6.450 -2.308 1.345
12 HA PRO 2 HA PRO 2 -9.600 2.488 3.044
13 HB2 PRO 2 HB2 PRO 2 -7.416 3.790 4.052
14 HB3 PRO 2 HB3 PRO 2 -8.676 3.072 5.075
15 HG2 PRO 2 HG2 PRO 2 -5.978 2.027 4.378
16 HG3 PRO 2 HG3 PRO 2 -6.863 1.936 5.909
17 HD2 PRO 2 HD2 PRO 2 -6.668 -0.143 4.149
18 HD3 PRO 2 HD3 PRO 2 -8.024 0.070 5.277
19 H GLU 3 H GLU 3 -8.791 4.397 1.789
20 HA GLU 3 HA GLU 3 -7.817 3.788 -0.763
21 HB2 GLU 3 HB2 GLU 3 -8.532 6.048 0.791
22 HB3 GLU 3 HB3 GLU 3 -6.964 6.415 0.072
23 HG2 GLU 3 HG2 GLU 3 -8.398 7.090 -1.632
24 HG3 GLU 3 HG3 GLU 3 -8.073 5.423 -2.109
25 H GLU 4 H GLU 4 -5.994 4.363 2.195
26 HA GLU 4 HA GLU 4 -3.434 4.930 1.118
27 HB2 GLU 4 HB2 GLU 4 -4.558 3.709 3.609
28 HB3 GLU 4 HB3 GLU 4 -2.814 3.625 3.355
29 HG2 GLU 4 HG2 GLU 4 -2.599 5.987 3.276
30 HG3 GLU 4 HG3 GLU 4 -4.334 6.218 3.060
31 H LEU 5 H LEU 5 -4.815 1.762 2.021
32 HA LEU 5 HA LEU 5 -2.569 0.254 0.984
33 HB2 LEU 5 HB2 LEU 5 -5.413 -0.419 1.780
34 HB3 LEU 5 HB3 LEU 5 -4.215 -1.640 1.354
35 HG LEU 5 HG LEU 5 -3.959 0.390 3.594
36 HD11 LEU 5 HD11 LEU 5 -5.515 -1.751 3.725
37 HD12 LEU 5 HD12 LEU 5 -4.474 -1.319 5.080
38 HD13 LEU 5 HD13 LEU 5 -3.979 -2.586 3.957
39 HD21 LEU 5 HD21 LEU 5 -2.066 -1.704 3.809
40 HD22 LEU 5 HD22 LEU 5 -1.745 -0.008 3.449
41 HD23 LEU 5 HD23 LEU 5 -2.002 -1.155 2.134
42 H VAL 6 H VAL 6 -5.847 0.946 -0.225
43 HA VAL 6 HA VAL 6 -5.831 -0.582 -2.586
44 HB VAL 6 HB VAL 6 -6.997 2.103 -1.830
45 HG11 VAL 6 HG11 VAL 6 -7.339 2.470 -4.038
46 HG12 VAL 6 HG12 VAL 6 -8.506 1.150 -3.951
47 HG13 VAL 6 HG13 VAL 6 -6.850 0.831 -4.467
48 HG21 VAL 6 HG21 VAL 6 -8.254 -0.624 -2.268
49 HG22 VAL 6 HG22 VAL 6 -9.059 0.813 -1.637
50 HG23 VAL 6 HG23 VAL 6 -7.798 0.022 -0.691
51 H HIS 7 H HIS 7 -4.346 2.562 -1.936
52 HA HIS 7 HA HIS 7 -3.609 3.212 -4.633
53 HB2 HIS 7 HB2 HIS 7 -2.919 4.016 -1.848
54 HB3 HIS 7 HB3 HIS 7 -1.758 4.458 -3.101
55 HD1 HIS 7 HD1 HIS 7 -2.808 6.932 -2.249
56 HD2 HIS 7 HD2 HIS 7 -5.170 4.536 -4.710
57 HE1 HIS 7 HE1 HIS 7 -4.563 8.453 -3.260
58 H ALA 8 H ALA 8 -1.996 1.353 -2.067
59 HA ALA 8 HA ALA 8 0.532 1.020 -3.381
60 HB1 ALA 8 HB1 ALA 8 0.517 -1.050 -1.794
61 HB2 ALA 8 HB2 ALA 8 -1.045 -0.432 -1.259
62 HB3 ALA 8 HB3 ALA 8 0.405 0.553 -1.068
63 H GLY 9 H GLY 9 -2.547 -0.681 -3.629
64 HA2 GLY 9 HA2 GLY 9 -3.007 -1.773 -5.826
65 HA3 GLY 9 HA3 GLY 9 -1.345 -2.359 -5.793
66 H TRP 10 H TRP 10 -3.365 -2.347 -2.915
67 HA TRP 10 HA TRP 10 -3.069 -5.290 -2.750
68 HB2 TRP 10 HB2 TRP 10 -3.904 -3.038 -0.924
69 HB3 TRP 10 HB3 TRP 10 -4.178 -4.716 -0.457
70 HD1 TRP 10 HD1 TRP 10 -1.563 -2.086 -0.555
71 HE1 TRP 10 HE1 TRP 10 0.718 -3.063 0.144
72 HE3 TRP 10 HE3 TRP 10 -2.664 -7.074 -0.674
73 HZ2 TRP 10 HZ2 TRP 10 1.917 -5.620 0.593
74 HZ3 TRP 10 HZ3 TRP 10 -0.934 -8.755 -0.108
75 HH2 TRP 10 HH2 TRP 10 1.353 -8.035 0.526
76 H GLU 11 H GLU 11 -4.807 -6.717 -2.902
77 HA GLU 11 HA GLU 11 -7.563 -5.585 -3.120
78 HB2 GLU 11 HB2 GLU 11 -6.405 -7.583 -5.078
79 HB3 GLU 11 HB3 GLU 11 -7.897 -6.657 -5.236
80 HG2 GLU 11 HG2 GLU 11 -6.389 -4.564 -5.131
81 HG3 GLU 11 HG3 GLU 11 -5.052 -5.672 -5.444
82 H LYS 12 H LYS 12 -8.842 -6.770 -1.761
83 HA LYS 12 HA LYS 12 -7.950 -9.280 -0.592
84 HB2 LYS 12 HB2 LYS 12 -9.339 -7.493 0.502
85 HB3 LYS 12 HB3 LYS 12 -10.669 -7.932 -0.570
86 HG2 LYS 12 HG2 LYS 12 -10.536 -10.274 0.314
87 HG3 LYS 12 HG3 LYS 12 -9.329 -9.722 1.476
88 HD2 LYS 12 HD2 LYS 12 -11.055 -7.960 2.191
89 HD3 LYS 12 HD3 LYS 12 -12.231 -8.905 1.277
90 HE2 LYS 12 HE2 LYS 12 -11.558 -10.927 2.634
91 HE3 LYS 12 HE3 LYS 12 -10.577 -9.845 3.643
92 HZ1 LYS 12 HZ1 LYS 12 -13.069 -10.271 4.236
93 HZ2 LYS 12 HZ2 LYS 12 -13.354 -9.107 3.037
94 HZ3 LYS 12 HZ3 LYS 12 -12.407 -8.714 4.392
95 H CYS 13 H CYS 13 -8.340 -11.320 -1.386
96 HA CYS 13 HA CYS 13 -10.658 -11.755 -3.209
97 HB2 CYS 13 HB2 CYS 13 -7.787 -12.521 -3.835
98 HB3 CYS 13 HB3 CYS 13 -9.186 -12.766 -4.881
99 HG CYS 13 HG CYS 13 -7.774 -10.470 -5.386
100 H TRP 14 H TRP 14 -10.759 -14.234 -3.719
101 HA TRP 14 HA TRP 14 -10.205 -15.712 -1.174
102 HB2 TRP 14 HB2 TRP 14 -12.529 -15.614 -1.745
103 HB3 TRP 14 HB3 TRP 14 -12.201 -15.999 -3.434
104 HD1 TRP 14 HD1 TRP 14 -11.555 -18.521 -4.029
105 HE1 TRP 14 HE1 TRP 14 -11.968 -20.733 -2.774
106 HE3 TRP 14 HE3 TRP 14 -12.714 -16.706 0.603
107 HZ2 TRP 14 HZ2 TRP 14 -12.692 -21.619 -0.152
108 HZ3 TRP 14 HZ3 TRP 14 -13.260 -18.256 2.459
109 HH2 TRP 14 HH2 TRP 14 -13.250 -20.707 2.087
110 H SER 15 H SER 15 -8.228 -16.767 -1.438
111 HA SER 15 HA SER 15 -7.265 -17.731 -4.002
112 HB2 SER 15 HB2 SER 15 -6.045 -17.001 -1.798
113 HB3 SER 15 HB3 SER 15 -6.325 -18.665 -1.295
114 HG SER 15 HG SER 15 -4.462 -18.833 -2.353
115 H ARG 16 H ARG 16 -7.931 -19.611 -4.971
116 HA ARG 16 HA ARG 16 -9.700 -21.483 -3.634
117 HB2 ARG 16 HB2 ARG 16 -8.938 -20.759 -6.236
118 HB3 ARG 16 HB3 ARG 16 -8.425 -22.439 -6.068
119 HG2 ARG 16 HG2 ARG 16 -11.200 -21.376 -5.460
120 HG3 ARG 16 HG3 ARG 16 -10.750 -22.311 -6.885
121 HD2 ARG 16 HD2 ARG 16 -9.959 -23.566 -4.330
122 HD3 ARG 16 HD3 ARG 16 -11.712 -23.434 -4.577
123 HE ARG 16 HE ARG 16 -10.526 -24.291 -7.024
124 HH11 ARG 16 HH11 ARG 16 -12.824 -25.554 -5.386
125 HH12 ARG 16 HH12 ARG 16 -12.178 -27.138 -5.114
126 HH21 ARG 16 HH21 ARG 16 -8.942 -26.260 -5.997
127 HH22 ARG 16 HH22 ARG 16 -9.980 -27.537 -5.458
128 H ARG 17 H ARG 17 -6.234 -21.312 -4.188
129 HA ARG 17 HA ARG 17 -5.633 -24.099 -3.727
130 HB2 ARG 17 HB2 ARG 17 -4.322 -21.656 -4.359
131 HB3 ARG 17 HB3 ARG 17 -3.523 -22.313 -2.930
132 HG2 ARG 17 HG2 ARG 17 -3.039 -24.377 -4.029
133 HG3 ARG 17 HG3 ARG 17 -4.123 -23.999 -5.368
134 HD2 ARG 17 HD2 ARG 17 -2.644 -22.099 -6.009
135 HD3 ARG 17 HD3 ARG 17 -1.528 -22.560 -4.708
136 HE ARG 17 HE ARG 17 -2.294 -24.557 -6.794
137 HH11 ARG 17 HH11 ARG 17 -0.068 -22.528 -7.410
138 HH12 ARG 17 HH12 ARG 17 1.335 -23.452 -6.988
139 HH21 ARG 17 HH21 ARG 17 -0.449 -25.844 -5.219
140 HH22 ARG 17 HH22 ARG 17 1.118 -25.332 -5.750
141 H GLU 18 H GLU 18 -5.439 -21.229 -1.616
142 HA GLU 18 HA GLU 18 -4.867 -22.834 0.765
143 HB2 GLU 18 HB2 GLU 18 -4.828 -20.096 -0.131
144 HB3 GLU 18 HB3 GLU 18 -5.699 -20.199 1.399
145 HG2 GLU 18 HG2 GLU 18 -2.944 -21.350 0.867
146 HG3 GLU 18 HG3 GLU 18 -3.275 -19.872 1.772
147 H ASN 19 H ASN 19 -7.672 -21.991 -0.955
148 HA ASN 19 HA ASN 19 -9.965 -22.265 -0.476
149 HB2 ASN 19 HB2 ASN 19 -9.067 -24.452 0.291
150 HB3 ASN 19 HB3 ASN 19 -8.784 -23.761 1.886
151 HD21 ASN 19 HD21 ASN 19 -10.514 -23.846 3.348
152 HD22 ASN 19 HD22 ASN 19 -12.114 -24.220 2.921
153 H ARG 20 H ARG 20 -8.977 -19.800 0.263
154 HA ARG 20 HA ARG 20 -10.812 -18.964 2.326
155 HB2 ARG 20 HB2 ARG 20 -8.984 -18.309 3.959
156 HB3 ARG 20 HB3 ARG 20 -9.225 -20.047 3.788
157 HG2 ARG 20 HG2 ARG 20 -6.997 -20.147 3.387
158 HG3 ARG 20 HG3 ARG 20 -7.392 -19.499 1.795
159 HD2 ARG 20 HD2 ARG 20 -6.117 -17.696 2.316
160 HD3 ARG 20 HD3 ARG 20 -7.338 -17.265 3.529
161 HE ARG 20 HE ARG 20 -4.765 -18.475 4.098
162 HH11 ARG 20 HH11 ARG 20 -6.947 -16.851 5.746
163 HH12 ARG 20 HH12 ARG 20 -7.169 -17.960 7.056
164 HH21 ARG 20 HH21 ARG 20 -5.536 -20.575 5.470
165 HH22 ARG 20 HH22 ARG 20 -6.370 -20.069 6.901
166 HA PRO 21 HA PRO 21 -9.692 -15.132 0.502
167 HB2 PRO 21 HB2 PRO 21 -10.419 -13.372 2.465
168 HB3 PRO 21 HB3 PRO 21 -11.585 -14.288 1.494
169 HG2 PRO 21 HG2 PRO 21 -10.839 -14.618 4.300
170 HG3 PRO 21 HG3 PRO 21 -12.267 -15.193 3.432
171 HD2 PRO 21 HD2 PRO 21 -9.929 -16.680 4.170
172 HD3 PRO 21 HD3 PRO 21 -11.376 -17.262 3.321
173 H TYR 22 H TYR 22 -8.334 -13.130 0.763
174 HA TYR 22 HA TYR 22 -6.428 -12.879 2.926
175 HB2 TYR 22 HB2 TYR 22 -4.484 -13.782 1.743
176 HB3 TYR 22 HB3 TYR 22 -5.736 -15.020 1.831
177 HD1 TYR 22 HD1 TYR 22 -7.477 -14.968 -0.194
178 HD2 TYR 22 HD2 TYR 22 -3.483 -13.390 -0.328
179 HE1 TYR 22 HE1 TYR 22 -7.494 -15.140 -2.667
180 HE2 TYR 22 HE2 TYR 22 -3.500 -13.564 -2.803
181 HH TYR 22 HH TYR 22 -4.611 -14.314 -4.583
182 H TYR 23 H TYR 23 -4.265 -11.897 1.230
183 HA TYR 23 HA TYR 23 -5.617 -9.625 -0.185
184 HB2 TYR 23 HB2 TYR 23 -3.258 -9.574 1.729
185 HB3 TYR 23 HB3 TYR 23 -3.865 -8.174 0.843
186 HD1 TYR 23 HD1 TYR 23 -4.937 -10.840 3.243
187 HD2 TYR 23 HD2 TYR 23 -5.634 -6.885 1.719
188 HE1 TYR 23 HE1 TYR 23 -6.644 -10.464 5.000
189 HE2 TYR 23 HE2 TYR 23 -7.342 -6.510 3.476
190 HH TYR 23 HH TYR 23 -8.041 -7.322 5.563
191 H PHE 24 H PHE 24 -4.690 -9.145 -2.171
192 HA PHE 24 HA PHE 24 -2.096 -10.500 -2.837
193 HB2 PHE 24 HB2 PHE 24 -3.821 -11.739 -3.904
194 HB3 PHE 24 HB3 PHE 24 -4.717 -10.280 -4.324
195 HD1 PHE 24 HD1 PHE 24 -1.655 -12.251 -5.065
196 HD2 PHE 24 HD2 PHE 24 -4.215 -9.032 -6.305
197 HE1 PHE 24 HE1 PHE 24 -0.472 -12.148 -7.241
198 HE2 PHE 24 HE2 PHE 24 -3.032 -8.929 -8.481
199 HZ PHE 24 HZ PHE 24 -1.160 -10.487 -8.950
200 H ASN 25 H ASN 25 -0.624 -8.865 -3.116
201 HA ASN 25 HA ASN 25 -1.416 -6.161 -3.889
202 HB2 ASN 25 HB2 ASN 25 0.546 -7.131 -2.396
203 HB3 ASN 25 HB3 ASN 25 1.390 -7.215 -3.936
204 HD21 ASN 25 HD21 ASN 25 -0.946 -4.768 -2.751
205 HD22 ASN 25 HD22 ASN 25 0.109 -3.450 -2.921
206 H ARG 26 H ARG 26 -2.263 -6.253 -6.033
207 HA ARG 26 HA ARG 26 -1.171 -7.735 -8.203
208 HB2 ARG 26 HB2 ARG 26 -2.564 -6.267 -9.536
209 HB3 ARG 26 HB3 ARG 26 -3.400 -6.551 -8.009
210 HG2 ARG 26 HG2 ARG 26 -2.539 -4.417 -7.129
211 HG3 ARG 26 HG3 ARG 26 -1.687 -4.131 -8.646
212 HD2 ARG 26 HD2 ARG 26 -3.815 -4.079 -9.872
213 HD3 ARG 26 HD3 ARG 26 -4.700 -4.440 -8.375
214 HE ARG 26 HE ARG 26 -2.965 -2.169 -7.993
215 HH11 ARG 26 HH11 ARG 26 -6.010 -2.776 -7.387
216 HH12 ARG 26 HH12 ARG 26 -6.724 -1.416 -8.186
217 HH21 ARG 26 HH21 ARG 26 -3.839 -0.581 -9.919
218 HH22 ARG 26 HH22 ARG 26 -5.496 -0.172 -9.619
219 H PHE 27 H PHE 27 0.073 -4.998 -6.541
220 HA PHE 27 HA PHE 27 1.582 -3.852 -8.764
221 HB2 PHE 27 HB2 PHE 27 0.694 -2.980 -6.366
222 HB3 PHE 27 HB3 PHE 27 2.341 -3.420 -5.918
223 HD1 PHE 27 HD1 PHE 27 0.400 -1.516 -8.490
224 HD2 PHE 27 HD2 PHE 27 4.123 -1.961 -6.395
225 HE1 PHE 27 HE1 PHE 27 1.240 0.567 -9.542
226 HE2 PHE 27 HE2 PHE 27 4.963 0.123 -7.447
227 HZ PHE 27 HZ PHE 27 3.522 1.387 -9.020
228 H THR 28 H THR 28 2.711 -5.375 -5.711
229 HA THR 28 HA THR 28 5.206 -6.201 -7.106
230 HB THR 28 HB THR 28 5.259 -4.974 -4.944
231 HG1 THR 28 HG1 THR 28 6.431 -6.783 -3.799
232 HG21 THR 28 HG21 THR 28 3.096 -6.566 -4.307
233 HG22 THR 28 HG22 THR 28 3.995 -5.566 -3.166
234 HG23 THR 28 HG23 THR 28 4.394 -7.274 -3.348
235 H ASN 29 H ASN 29 2.323 -7.507 -7.098
236 HA ASN 29 HA ASN 29 1.494 -9.710 -7.271
237 HB2 ASN 29 HB2 ASN 29 3.435 -9.837 -8.786
238 HB3 ASN 29 HB3 ASN 29 4.480 -10.235 -7.422
239 HD21 ASN 29 HD21 ASN 29 1.170 -11.444 -8.148
240 HD22 ASN 29 HD22 ASN 29 1.621 -13.079 -8.223
241 H GLN 30 H GLN 30 2.559 -8.537 -4.562
242 HA GLN 30 HA GLN 30 3.504 -10.712 -2.962
243 HB2 GLN 30 HB2 GLN 30 2.778 -7.977 -2.724
244 HB3 GLN 30 HB3 GLN 30 1.865 -8.854 -1.494
245 HG2 GLN 30 HG2 GLN 30 3.871 -9.817 -0.577
246 HG3 GLN 30 HG3 GLN 30 4.837 -9.213 -1.923
247 HE21 GLN 30 HE21 GLN 30 5.425 -8.534 0.821
248 HE22 GLN 30 HE22 GLN 30 5.164 -6.867 1.013
249 H SER 31 H SER 31 2.261 -11.879 -1.309
250 HA SER 31 HA SER 31 -0.676 -12.090 -1.785
251 HB2 SER 31 HB2 SER 31 -0.051 -14.693 -1.577
252 HB3 SER 31 HB3 SER 31 -0.041 -13.864 -3.130
253 HG SER 31 HG SER 31 1.913 -15.129 -2.389
254 H LEU 32 H LEU 32 -0.929 -11.141 0.330
255 HA LEU 32 HA LEU 32 0.355 -12.480 2.638
256 HB2 LEU 32 HB2 LEU 32 -1.504 -10.094 2.380
257 HB3 LEU 32 HB3 LEU 32 -0.645 -10.564 3.847
258 HG LEU 32 HG LEU 32 0.543 -9.602 1.238
259 HD11 LEU 32 HD11 LEU 32 0.315 -8.585 4.049
260 HD12 LEU 32 HD12 LEU 32 0.120 -7.715 2.527
261 HD13 LEU 32 HD13 LEU 32 1.732 -8.140 3.101
262 HD21 LEU 32 HD21 LEU 32 1.951 -11.413 1.862
263 HD22 LEU 32 HD22 LEU 32 1.809 -11.035 3.578
264 HD23 LEU 32 HD23 LEU 32 2.745 -9.980 2.518
265 H TRP 33 H TRP 33 -1.572 -12.137 4.557
266 HA TRP 33 HA TRP 33 -3.942 -13.730 3.663
267 HB2 TRP 33 HB2 TRP 33 -2.118 -14.229 6.040
268 HB3 TRP 33 HB3 TRP 33 -3.561 -15.161 5.659
269 HD1 TRP 33 HD1 TRP 33 0.006 -15.241 5.182
270 HE1 TRP 33 HE1 TRP 33 0.679 -16.806 3.241
271 HE3 TRP 33 HE3 TRP 33 -4.533 -15.858 2.957
272 HZ2 TRP 33 HZ2 TRP 33 -0.561 -18.144 1.032
273 HZ3 TRP 33 HZ3 TRP 33 -4.769 -17.279 0.938
274 HH2 TRP 33 HH2 TRP 33 -2.790 -18.421 -0.027
275 H GLU 34 H GLU 34 -2.867 -10.944 5.037
276 HA GLU 34 HA GLU 34 -5.430 -10.462 6.418
277 HB2 GLU 34 HB2 GLU 34 -3.068 -11.333 7.772
278 HB3 GLU 34 HB3 GLU 34 -3.332 -9.641 8.197
279 HG2 GLU 34 HG2 GLU 34 -5.452 -11.804 8.356
280 HG3 GLU 34 HG3 GLU 34 -4.522 -11.208 9.732
281 H MET 35 H MET 35 -5.815 -8.178 6.652
282 HA MET 35 HA MET 35 -4.952 -6.404 4.745
283 HB2 MET 35 HB2 MET 35 -6.234 -6.347 7.315
284 HB3 MET 35 HB3 MET 35 -5.186 -4.935 7.164
285 HG2 MET 35 HG2 MET 35 -6.510 -5.325 4.666
286 HG3 MET 35 HG3 MET 35 -7.726 -5.381 5.938
287 HE1 MET 35 HE1 MET 35 -7.864 -4.102 7.727
288 HE2 MET 35 HE2 MET 35 -8.447 -2.504 7.244
289 HE3 MET 35 HE3 MET 35 -6.948 -2.661 8.157
290 HA PRO 36 HA PRO 36 -0.667 -5.888 5.810
291 HB2 PRO 36 HB2 PRO 36 -0.027 -4.293 3.688
292 HB3 PRO 36 HB3 PRO 36 -0.247 -6.047 3.545
293 HG2 PRO 36 HG2 PRO 36 -2.041 -3.850 2.725
294 HG3 PRO 36 HG3 PRO 36 -1.848 -5.469 2.043
295 HD2 PRO 36 HD2 PRO 36 -3.911 -4.620 3.733
296 HD3 PRO 36 HD3 PRO 36 -3.518 -6.301 3.323
297 H VAL 37 H VAL 37 0.781 -3.626 5.519
298 HA VAL 37 HA VAL 37 -0.831 -1.439 6.789
299 HB VAL 37 HB VAL 37 1.998 -2.221 7.533
300 HG11 VAL 37 HG11 VAL 37 -0.103 -0.361 8.553
301 HG12 VAL 37 HG12 VAL 37 1.647 -0.150 8.484
302 HG13 VAL 37 HG13 VAL 37 0.929 -1.154 9.743
303 HG21 VAL 37 HG21 VAL 37 -0.609 -3.443 8.298
304 HG22 VAL 37 HG22 VAL 37 0.538 -3.151 9.605
305 HG23 VAL 37 HG23 VAL 37 0.998 -4.168 8.240
306 H LEU 38 H LEU 38 0.820 0.602 6.881
307 HA LEU 38 HA LEU 38 2.396 0.757 4.356
308 HB2 LEU 38 HB2 LEU 38 -0.252 1.714 4.733
309 HB3 LEU 38 HB3 LEU 38 0.798 3.131 4.711
310 HG LEU 38 HG LEU 38 1.431 1.101 2.662
311 HD11 LEU 38 HD11 LEU 38 -0.689 0.834 1.929
312 HD12 LEU 38 HD12 LEU 38 -0.631 2.530 1.447
313 HD13 LEU 38 HD13 LEU 38 -1.297 2.082 3.017
314 HD21 LEU 38 HD21 LEU 38 2.540 2.975 2.044
315 HD22 LEU 38 HD22 LEU 38 1.575 3.983 3.124
316 HD23 LEU 38 HD23 LEU 38 0.980 3.601 1.509
317 H GLY 39 H GLY 39 3.014 3.433 4.402
318 HA2 GLY 39 HA2 GLY 39 4.371 5.019 5.477
319 HA3 GLY 39 HA3 GLY 39 3.599 4.524 6.984
320 H GLN 40 H GLN 40 5.827 2.983 4.634
321 HA GLN 40 HA GLN 40 7.261 1.678 6.866
322 HB2 GLN 40 HB2 GLN 40 7.348 1.589 3.843
323 HB3 GLN 40 HB3 GLN 40 8.508 0.708 4.837
324 HG2 GLN 40 HG2 GLN 40 5.934 0.189 5.919
325 HG3 GLN 40 HG3 GLN 40 5.810 -0.023 4.173
326 HE21 GLN 40 HE21 GLN 40 5.935 -2.285 3.934
327 HE22 GLN 40 HE22 GLN 40 7.201 -3.238 4.542
328 H HIS 41 H HIS 41 7.412 4.660 6.450
329 HA HIS 41 HA HIS 41 10.179 5.066 6.987
330 HB2 HIS 41 HB2 HIS 41 9.436 4.673 4.217
331 HB3 HIS 41 HB3 HIS 41 10.105 6.290 4.439
332 HD1 HIS 41 HD1 HIS 41 11.927 4.621 2.871
333 HD2 HIS 41 HD2 HIS 41 11.918 4.388 7.035
334 HE1 HIS 41 HE1 HIS 41 14.167 3.647 3.540
335 H ASP 42 H ASP 42 8.660 6.341 8.473
336 HA ASP 42 HA ASP 42 7.723 8.900 7.243
337 HB2 ASP 42 HB2 ASP 42 6.892 7.096 9.407
338 HB3 ASP 42 HB3 ASP 42 6.875 8.796 9.879
339 H VAL 43 H VAL 43 7.775 10.468 9.571
340 HA VAL 43 HA VAL 43 9.279 11.979 10.612
341 HB VAL 43 HB VAL 43 10.561 9.280 11.157
342 HG11 VAL 43 HG11 VAL 43 11.113 10.590 13.358
343 HG12 VAL 43 HG12 VAL 43 10.870 12.022 12.357
344 HG13 VAL 43 HG13 VAL 43 12.117 10.851 11.931
345 HG21 VAL 43 HG21 VAL 43 8.370 9.036 11.927
346 HG22 VAL 43 HG22 VAL 43 8.205 10.750 12.306
347 HG23 VAL 43 HG23 VAL 43 9.164 9.703 13.353
348 H ILE 44 H ILE 44 9.801 11.834 7.857
349 HA ILE 44 HA ILE 44 12.787 11.668 7.702
350 HB ILE 44 HB ILE 44 12.209 11.516 5.209
351 HG12 ILE 44 HG12 ILE 44 9.463 10.733 6.136
352 HG13 ILE 44 HG13 ILE 44 9.812 12.430 5.811
353 HG21 ILE 44 HG21 ILE 44 12.115 9.576 7.302
354 HG22 ILE 44 HG22 ILE 44 12.545 9.328 5.609
355 HG23 ILE 44 HG23 ILE 44 10.866 9.165 6.125
356 HD11 ILE 44 HD11 ILE 44 10.483 11.923 3.539
357 HD12 ILE 44 HD12 ILE 44 8.904 11.188 3.821
358 HD13 ILE 44 HD13 ILE 44 10.358 10.190 3.845
359 H SER 45 H SER 45 12.890 13.901 8.626
360 HA SER 45 HA SER 45 12.712 15.930 6.484
361 HB2 SER 45 HB2 SER 45 11.416 17.362 8.286
362 HB3 SER 45 HB3 SER 45 10.534 16.222 7.273
363 HG SER 45 HG SER 45 11.091 16.160 9.975
364 H ASP 46 H ASP 46 15.109 15.495 7.101
365 HA ASP 46 HA ASP 46 16.122 17.699 8.635
366 HB2 ASP 46 HB2 ASP 46 15.194 15.455 10.108
367 HB3 ASP 46 HB3 ASP 46 16.956 15.421 10.195
368 HA PRO 47 HA PRO 47 19.073 15.527 5.842
369 HB2 PRO 47 HB2 PRO 47 19.922 17.802 4.579
370 HB3 PRO 47 HB3 PRO 47 18.489 16.889 4.065
371 HG2 PRO 47 HG2 PRO 47 18.665 19.389 5.668
372 HG3 PRO 47 HG3 PRO 47 17.495 18.925 4.425
373 HD2 PRO 47 HD2 PRO 47 16.980 18.810 7.105
374 HD3 PRO 47 HD3 PRO 47 16.187 17.767 5.903
Start of MODEL 5
1 H LEU 1 H LEU 1 -10.828 -1.789 2.992
2 HA LEU 1 HA LEU 1 -8.373 -2.208 3.647
3 HB2 LEU 1 HB2 LEU 1 -8.443 -2.157 0.621
4 HB3 LEU 1 HB3 LEU 1 -6.970 -1.839 1.538
5 HG LEU 1 HG LEU 1 -7.990 -4.153 2.706
6 HD11 LEU 1 HD11 LEU 1 -9.411 -5.021 1.164
7 HD12 LEU 1 HD12 LEU 1 -7.950 -5.407 0.254
8 HD13 LEU 1 HD13 LEU 1 -8.846 -3.930 -0.100
9 HD21 LEU 1 HD21 LEU 1 -6.124 -5.034 0.854
10 HD22 LEU 1 HD22 LEU 1 -5.748 -4.371 2.444
11 HD23 LEU 1 HD23 LEU 1 -5.732 -3.324 1.025
12 HA PRO 2 HA PRO 2 -8.757 2.164 3.808
13 HB2 PRO 2 HB2 PRO 2 -6.219 2.822 4.579
14 HB3 PRO 2 HB3 PRO 2 -7.409 2.094 5.672
15 HG2 PRO 2 HG2 PRO 2 -5.125 0.832 4.248
16 HG3 PRO 2 HG3 PRO 2 -5.765 0.507 5.866
17 HD2 PRO 2 HD2 PRO 2 -6.259 -1.065 3.676
18 HD3 PRO 2 HD3 PRO 2 -7.330 -0.962 5.090
19 H GLU 3 H GLU 3 -7.947 4.130 2.773
20 HA GLU 3 HA GLU 3 -7.442 3.969 0.019
21 HB2 GLU 3 HB2 GLU 3 -8.039 5.912 1.727
22 HB3 GLU 3 HB3 GLU 3 -6.302 6.212 1.648
23 HG2 GLU 3 HG2 GLU 3 -7.456 7.552 -0.050
24 HG3 GLU 3 HG3 GLU 3 -6.456 6.326 -0.829
25 H GLU 4 H GLU 4 -5.043 4.421 2.638
26 HA GLU 4 HA GLU 4 -2.705 4.710 1.135
27 HB2 GLU 4 HB2 GLU 4 -1.607 3.793 3.146
28 HB3 GLU 4 HB3 GLU 4 -2.930 4.872 3.593
29 HG2 GLU 4 HG2 GLU 4 -4.324 2.595 3.496
30 HG3 GLU 4 HG3 GLU 4 -2.739 1.901 3.842
31 H LEU 5 H LEU 5 -4.500 1.732 1.805
32 HA LEU 5 HA LEU 5 -2.404 0.032 0.642
33 HB2 LEU 5 HB2 LEU 5 -5.169 -0.345 1.788
34 HB3 LEU 5 HB3 LEU 5 -4.308 -1.682 1.023
35 HG LEU 5 HG LEU 5 -3.290 -0.020 3.348
36 HD11 LEU 5 HD11 LEU 5 -3.392 -2.699 4.076
37 HD12 LEU 5 HD12 LEU 5 -4.873 -2.473 3.144
38 HD13 LEU 5 HD13 LEU 5 -4.553 -1.459 4.551
39 HD21 LEU 5 HD21 LEU 5 -1.684 -2.208 3.204
40 HD22 LEU 5 HD22 LEU 5 -1.295 -0.672 2.431
41 HD23 LEU 5 HD23 LEU 5 -2.035 -1.968 1.493
42 H VAL 6 H VAL 6 -5.668 1.125 -0.279
43 HA VAL 6 HA VAL 6 -5.982 -0.329 -2.677
44 HB VAL 6 HB VAL 6 -6.847 2.417 -1.754
45 HG11 VAL 6 HG11 VAL 6 -6.784 2.367 -4.236
46 HG12 VAL 6 HG12 VAL 6 -8.437 2.438 -3.625
47 HG13 VAL 6 HG13 VAL 6 -7.780 0.912 -4.218
48 HG21 VAL 6 HG21 VAL 6 -8.062 -0.342 -1.862
49 HG22 VAL 6 HG22 VAL 6 -9.084 1.090 -1.763
50 HG23 VAL 6 HG23 VAL 6 -7.923 0.746 -0.481
51 H HIS 7 H HIS 7 -4.495 2.874 -2.200
52 HA HIS 7 HA HIS 7 -3.789 3.391 -4.906
53 HB2 HIS 7 HB2 HIS 7 -3.489 4.528 -2.348
54 HB3 HIS 7 HB3 HIS 7 -1.849 4.355 -2.971
55 HD1 HIS 7 HD1 HIS 7 -1.111 6.000 -4.728
56 HD2 HIS 7 HD2 HIS 7 -5.244 6.043 -4.182
57 HE1 HIS 7 HE1 HIS 7 -1.996 7.930 -6.110
58 H ALA 8 H ALA 8 -2.261 1.394 -2.438
59 HA ALA 8 HA ALA 8 0.288 1.084 -3.773
60 HB1 ALA 8 HB1 ALA 8 0.210 0.628 -1.458
61 HB2 ALA 8 HB2 ALA 8 0.276 -0.980 -2.177
62 HB3 ALA 8 HB3 ALA 8 -1.262 -0.331 -1.609
63 H GLY 9 H GLY 9 -2.756 -0.738 -3.792
64 HA2 GLY 9 HA2 GLY 9 -3.286 -1.772 -6.048
65 HA3 GLY 9 HA3 GLY 9 -1.639 -2.399 -6.016
66 H TRP 10 H TRP 10 -3.289 -2.344 -2.984
67 HA TRP 10 HA TRP 10 -3.217 -5.278 -2.865
68 HB2 TRP 10 HB2 TRP 10 -3.887 -2.995 -1.010
69 HB3 TRP 10 HB3 TRP 10 -4.205 -4.662 -0.531
70 HD1 TRP 10 HD1 TRP 10 -1.447 -2.154 -0.952
71 HE1 TRP 10 HE1 TRP 10 0.803 -3.210 -0.265
72 HE3 TRP 10 HE3 TRP 10 -2.862 -7.044 -0.508
73 HZ2 TRP 10 HZ2 TRP 10 1.862 -5.786 0.386
74 HZ3 TRP 10 HZ3 TRP 10 -1.213 -8.774 0.146
75 HH2 TRP 10 HH2 TRP 10 1.144 -8.152 0.594
76 H GLU 11 H GLU 11 -5.129 -6.577 -2.372
77 HA GLU 11 HA GLU 11 -7.804 -5.394 -2.615
78 HB2 GLU 11 HB2 GLU 11 -8.246 -6.771 -4.717
79 HB3 GLU 11 HB3 GLU 11 -7.172 -5.389 -4.937
80 HG2 GLU 11 HG2 GLU 11 -5.228 -6.976 -4.554
81 HG3 GLU 11 HG3 GLU 11 -6.390 -8.300 -4.651
82 H LYS 12 H LYS 12 -9.362 -6.825 -1.793
83 HA LYS 12 HA LYS 12 -8.368 -9.237 -0.446
84 HB2 LYS 12 HB2 LYS 12 -10.253 -7.343 0.073
85 HB3 LYS 12 HB3 LYS 12 -11.267 -8.622 -0.596
86 HG2 LYS 12 HG2 LYS 12 -10.124 -10.225 1.001
87 HG3 LYS 12 HG3 LYS 12 -9.387 -8.817 1.768
88 HD2 LYS 12 HD2 LYS 12 -11.519 -7.928 2.397
89 HD3 LYS 12 HD3 LYS 12 -12.375 -9.084 1.376
90 HE2 LYS 12 HE2 LYS 12 -12.570 -10.330 3.280
91 HE3 LYS 12 HE3 LYS 12 -10.857 -10.725 3.030
92 HZ1 LYS 12 HZ1 LYS 12 -11.936 -8.415 4.560
93 HZ2 LYS 12 HZ2 LYS 12 -10.293 -8.655 4.216
94 HZ3 LYS 12 HZ3 LYS 12 -11.123 -9.761 5.203
95 H CYS 13 H CYS 13 -8.509 -11.288 -1.288
96 HA CYS 13 HA CYS 13 -10.559 -11.855 -3.382
97 HB2 CYS 13 HB2 CYS 13 -7.597 -12.476 -3.618
98 HB3 CYS 13 HB3 CYS 13 -8.831 -12.778 -4.841
99 HG CYS 13 HG CYS 13 -9.070 -9.927 -4.424
100 H TRP 14 H TRP 14 -10.552 -14.306 -3.852
101 HA TRP 14 HA TRP 14 -10.144 -15.782 -1.274
102 HB2 TRP 14 HB2 TRP 14 -12.446 -15.616 -2.065
103 HB3 TRP 14 HB3 TRP 14 -11.974 -16.201 -3.661
104 HD1 TRP 14 HD1 TRP 14 -11.522 -18.766 -3.962
105 HE1 TRP 14 HE1 TRP 14 -11.987 -20.819 -2.474
106 HE3 TRP 14 HE3 TRP 14 -12.564 -16.433 0.459
107 HZ2 TRP 14 HZ2 TRP 14 -12.705 -21.396 0.234
108 HZ3 TRP 14 HZ3 TRP 14 -13.135 -17.756 2.475
109 HH2 TRP 14 HH2 TRP 14 -13.207 -20.232 2.368
110 H SER 15 H SER 15 -8.090 -16.730 -1.485
111 HA SER 15 HA SER 15 -7.044 -17.720 -4.004
112 HB2 SER 15 HB2 SER 15 -5.873 -16.879 -1.832
113 HB3 SER 15 HB3 SER 15 -6.132 -18.518 -1.241
114 HG SER 15 HG SER 15 -4.755 -17.725 -3.598
115 H ARG 16 H ARG 16 -8.059 -19.483 -4.937
116 HA ARG 16 HA ARG 16 -9.586 -21.461 -3.569
117 HB2 ARG 16 HB2 ARG 16 -8.247 -21.145 -6.232
118 HB3 ARG 16 HB3 ARG 16 -8.902 -22.727 -5.807
119 HG2 ARG 16 HG2 ARG 16 -10.826 -20.731 -5.082
120 HG3 ARG 16 HG3 ARG 16 -10.323 -20.442 -6.748
121 HD2 ARG 16 HD2 ARG 16 -11.625 -22.167 -7.416
122 HD3 ARG 16 HD3 ARG 16 -10.655 -23.268 -6.417
123 HE ARG 16 HE ARG 16 -12.850 -21.643 -5.195
124 HH11 ARG 16 HH11 ARG 16 -12.067 -24.674 -6.469
125 HH12 ARG 16 HH12 ARG 16 -12.665 -25.580 -5.120
126 HH21 ARG 16 HH21 ARG 16 -13.268 -22.780 -3.167
127 HH22 ARG 16 HH22 ARG 16 -13.345 -24.509 -3.250
128 H ARG 17 H ARG 17 -6.129 -21.303 -4.354
129 HA ARG 17 HA ARG 17 -5.437 -24.010 -3.757
130 HB2 ARG 17 HB2 ARG 17 -4.132 -21.363 -4.033
131 HB3 ARG 17 HB3 ARG 17 -3.226 -22.558 -3.105
132 HG2 ARG 17 HG2 ARG 17 -4.068 -24.070 -5.221
133 HG3 ARG 17 HG3 ARG 17 -3.852 -22.497 -5.991
134 HD2 ARG 17 HD2 ARG 17 -1.586 -22.628 -5.837
135 HD3 ARG 17 HD3 ARG 17 -1.659 -23.190 -4.155
136 HE ARG 17 HE ARG 17 -1.816 -24.926 -6.559
137 HH11 ARG 17 HH11 ARG 17 -3.725 -25.927 -4.516
138 HH12 ARG 17 HH12 ARG 17 -2.735 -26.970 -3.552
139 HH21 ARG 17 HH21 ARG 17 0.252 -25.655 -4.723
140 HH22 ARG 17 HH22 ARG 17 -0.484 -26.817 -3.669
141 H GLU 18 H GLU 18 -5.335 -21.097 -1.701
142 HA GLU 18 HA GLU 18 -4.683 -22.630 0.707
143 HB2 GLU 18 HB2 GLU 18 -4.754 -19.915 -0.247
144 HB3 GLU 18 HB3 GLU 18 -5.625 -20.014 1.283
145 HG2 GLU 18 HG2 GLU 18 -2.791 -20.931 0.739
146 HG3 GLU 18 HG3 GLU 18 -3.291 -19.597 1.780
147 H ASN 19 H ASN 19 -7.531 -21.938 -1.010
148 HA ASN 19 HA ASN 19 -9.807 -22.303 -0.510
149 HB2 ASN 19 HB2 ASN 19 -8.772 -24.422 0.309
150 HB3 ASN 19 HB3 ASN 19 -8.572 -23.678 1.895
151 HD21 ASN 19 HD21 ASN 19 -10.848 -25.248 -0.221
152 HD22 ASN 19 HD22 ASN 19 -12.194 -25.135 0.807
153 H ARG 20 H ARG 20 -8.903 -19.777 0.184
154 HA ARG 20 HA ARG 20 -10.781 -18.961 2.205
155 HB2 ARG 20 HB2 ARG 20 -9.025 -18.271 3.888
156 HB3 ARG 20 HB3 ARG 20 -9.202 -20.015 3.705
157 HG2 ARG 20 HG2 ARG 20 -6.973 -20.073 3.326
158 HG3 ARG 20 HG3 ARG 20 -7.326 -19.337 1.763
159 HD2 ARG 20 HD2 ARG 20 -6.458 -17.331 2.399
160 HD3 ARG 20 HD3 ARG 20 -7.264 -17.396 3.979
161 HE ARG 20 HE ARG 20 -4.722 -18.846 3.344
162 HH11 ARG 20 HH11 ARG 20 -7.172 -18.541 5.632
163 HH12 ARG 20 HH12 ARG 20 -6.117 -18.264 6.978
164 HH21 ARG 20 HH21 ARG 20 -3.261 -18.006 5.028
165 HH22 ARG 20 HH22 ARG 20 -3.904 -17.961 6.636
166 HA PRO 21 HA PRO 21 -9.687 -15.119 0.389
167 HB2 PRO 21 HB2 PRO 21 -10.466 -13.360 2.333
168 HB3 PRO 21 HB3 PRO 21 -11.608 -14.295 1.351
169 HG2 PRO 21 HG2 PRO 21 -10.892 -14.606 4.167
170 HG3 PRO 21 HG3 PRO 21 -12.305 -15.196 3.284
171 HD2 PRO 21 HD2 PRO 21 -9.968 -16.663 4.059
172 HD3 PRO 21 HD3 PRO 21 -11.395 -17.258 3.183
173 H TYR 22 H TYR 22 -8.371 -13.067 0.710
174 HA TYR 22 HA TYR 22 -6.496 -12.837 2.897
175 HB2 TYR 22 HB2 TYR 22 -4.530 -13.714 1.738
176 HB3 TYR 22 HB3 TYR 22 -5.776 -14.959 1.790
177 HD1 TYR 22 HD1 TYR 22 -7.460 -14.941 -0.260
178 HD2 TYR 22 HD2 TYR 22 -3.516 -13.241 -0.313
179 HE1 TYR 22 HE1 TYR 22 -7.432 -15.086 -2.736
180 HE2 TYR 22 HE2 TYR 22 -3.488 -13.385 -2.790
181 HH TYR 22 HH TYR 22 -6.299 -14.039 -4.624
182 H TYR 23 H TYR 23 -4.310 -11.843 1.232
183 HA TYR 23 HA TYR 23 -5.633 -9.543 -0.164
184 HB2 TYR 23 HB2 TYR 23 -3.382 -9.589 1.868
185 HB3 TYR 23 HB3 TYR 23 -3.760 -8.173 0.888
186 HD1 TYR 23 HD1 TYR 23 -5.042 -10.461 3.507
187 HD2 TYR 23 HD2 TYR 23 -5.727 -6.838 1.302
188 HE1 TYR 23 HE1 TYR 23 -6.851 -9.842 5.085
189 HE2 TYR 23 HE2 TYR 23 -7.536 -6.220 2.881
190 HH TYR 23 HH TYR 23 -8.744 -8.454 5.258
191 H PHE 24 H PHE 24 -4.842 -9.329 -2.222
192 HA PHE 24 HA PHE 24 -2.167 -10.553 -2.827
193 HB2 PHE 24 HB2 PHE 24 -3.928 -11.817 -3.851
194 HB3 PHE 24 HB3 PHE 24 -4.758 -10.354 -4.382
195 HD1 PHE 24 HD1 PHE 24 -1.231 -11.634 -4.604
196 HD2 PHE 24 HD2 PHE 24 -4.637 -10.041 -6.683
197 HE1 PHE 24 HE1 PHE 24 0.045 -11.679 -6.730
198 HE2 PHE 24 HE2 PHE 24 -3.360 -10.087 -8.809
199 HZ PHE 24 HZ PHE 24 -1.019 -10.906 -8.833
200 H ASN 25 H ASN 25 -0.729 -8.889 -3.101
201 HA ASN 25 HA ASN 25 -1.582 -6.220 -3.956
202 HB2 ASN 25 HB2 ASN 25 0.340 -7.075 -2.356
203 HB3 ASN 25 HB3 ASN 25 1.256 -7.188 -3.854
204 HD21 ASN 25 HD21 ASN 25 -1.193 -4.773 -2.847
205 HD22 ASN 25 HD22 ASN 25 -0.169 -3.430 -3.019
206 H ARG 26 H ARG 26 -2.223 -6.151 -6.123
207 HA ARG 26 HA ARG 26 -1.018 -7.734 -8.214
208 HB2 ARG 26 HB2 ARG 26 -2.492 -6.469 -9.618
209 HB3 ARG 26 HB3 ARG 26 -3.330 -6.636 -8.076
210 HG2 ARG 26 HG2 ARG 26 -2.710 -4.404 -7.410
211 HG3 ARG 26 HG3 ARG 26 -1.629 -4.235 -8.794
212 HD2 ARG 26 HD2 ARG 26 -3.465 -4.205 -10.344
213 HD3 ARG 26 HD3 ARG 26 -4.614 -4.700 -9.084
214 HE ARG 26 HE ARG 26 -3.458 -2.403 -8.052
215 HH11 ARG 26 HH11 ARG 26 -6.186 -3.116 -9.678
216 HH12 ARG 26 HH12 ARG 26 -6.344 -1.614 -10.526
217 HH21 ARG 26 HH21 ARG 26 -3.157 -0.515 -9.713
218 HH22 ARG 26 HH22 ARG 26 -4.629 -0.141 -10.546
219 H PHE 27 H PHE 27 0.148 -5.072 -6.499
220 HA PHE 27 HA PHE 27 1.646 -3.868 -8.747
221 HB2 PHE 27 HB2 PHE 27 0.510 -2.913 -6.471
222 HB3 PHE 27 HB3 PHE 27 2.162 -3.156 -5.909
223 HD1 PHE 27 HD1 PHE 27 0.144 -1.572 -8.621
224 HD2 PHE 27 HD2 PHE 27 3.881 -1.640 -6.504
225 HE1 PHE 27 HE1 PHE 27 0.840 0.504 -9.785
226 HE2 PHE 27 HE2 PHE 27 4.578 0.437 -7.669
227 HZ PHE 27 HZ PHE 27 3.057 1.508 -9.309
228 H THR 28 H THR 28 2.316 -5.637 -5.712
229 HA THR 28 HA THR 28 5.107 -6.130 -6.693
230 HB THR 28 HB THR 28 5.687 -6.273 -4.357
231 HG1 THR 28 HG1 THR 28 4.200 -7.241 -3.233
232 HG21 THR 28 HG21 THR 28 3.609 -4.088 -4.434
233 HG22 THR 28 HG22 THR 28 5.090 -3.983 -5.385
234 HG23 THR 28 HG23 THR 28 5.177 -4.082 -3.627
235 H ASN 29 H ASN 29 2.294 -7.605 -6.946
236 HA ASN 29 HA ASN 29 1.601 -9.857 -7.106
237 HB2 ASN 29 HB2 ASN 29 3.564 -10.000 -8.519
238 HB3 ASN 29 HB3 ASN 29 4.626 -10.092 -7.114
239 HD21 ASN 29 HD21 ASN 29 5.440 -12.217 -7.232
240 HD22 ASN 29 HD22 ASN 29 4.466 -13.605 -7.313
241 H GLN 30 H GLN 30 2.517 -8.535 -4.377
242 HA GLN 30 HA GLN 30 3.434 -10.612 -2.652
243 HB2 GLN 30 HB2 GLN 30 2.585 -7.900 -2.556
244 HB3 GLN 30 HB3 GLN 30 1.658 -8.772 -1.334
245 HG2 GLN 30 HG2 GLN 30 3.591 -9.491 -0.201
246 HG3 GLN 30 HG3 GLN 30 4.628 -9.177 -1.591
247 HE21 GLN 30 HE21 GLN 30 4.555 -8.053 1.320
248 HE22 GLN 30 HE22 GLN 30 4.642 -6.373 1.090
249 H SER 31 H SER 31 2.166 -11.801 -1.053
250 HA SER 31 HA SER 31 -0.743 -12.096 -1.613
251 HB2 SER 31 HB2 SER 31 0.122 -14.704 -1.336
252 HB3 SER 31 HB3 SER 31 -0.203 -13.915 -2.877
253 HG SER 31 HG SER 31 1.977 -14.930 -2.432
254 H LEU 32 H LEU 32 -0.934 -11.101 0.523
255 HA LEU 32 HA LEU 32 0.265 -12.507 2.832
256 HB2 LEU 32 HB2 LEU 32 -1.556 -10.091 2.577
257 HB3 LEU 32 HB3 LEU 32 -0.718 -10.588 4.047
258 HG LEU 32 HG LEU 32 0.573 -9.732 1.441
259 HD11 LEU 32 HD11 LEU 32 -0.238 -7.836 2.706
260 HD12 LEU 32 HD12 LEU 32 1.508 -7.929 2.937
261 HD13 LEU 32 HD13 LEU 32 0.418 -8.494 4.203
262 HD21 LEU 32 HD21 LEU 32 2.112 -11.275 2.215
263 HD22 LEU 32 HD22 LEU 32 1.602 -11.097 3.894
264 HD23 LEU 32 HD23 LEU 32 2.621 -9.866 3.147
265 H TRP 33 H TRP 33 -1.738 -12.111 4.710
266 HA TRP 33 HA TRP 33 -4.084 -13.694 3.738
267 HB2 TRP 33 HB2 TRP 33 -2.403 -14.206 6.212
268 HB3 TRP 33 HB3 TRP 33 -3.784 -15.164 5.687
269 HD1 TRP 33 HD1 TRP 33 -0.198 -15.187 5.541
270 HE1 TRP 33 HE1 TRP 33 0.683 -16.669 3.619
271 HE3 TRP 33 HE3 TRP 33 -4.489 -15.755 2.851
272 HZ2 TRP 33 HZ2 TRP 33 -0.315 -17.929 1.250
273 HZ3 TRP 33 HZ3 TRP 33 -4.502 -17.098 0.766
274 HH2 TRP 33 HH2 TRP 33 -2.422 -18.184 -0.038
275 H GLU 34 H GLU 34 -3.047 -10.915 5.146
276 HA GLU 34 HA GLU 34 -5.654 -10.422 6.440
277 HB2 GLU 34 HB2 GLU 34 -3.254 -11.208 7.851
278 HB3 GLU 34 HB3 GLU 34 -3.715 -9.572 8.323
279 HG2 GLU 34 HG2 GLU 34 -5.963 -11.478 8.127
280 HG3 GLU 34 HG3 GLU 34 -4.800 -11.839 9.402
281 H MET 35 H MET 35 -6.065 -8.148 6.587
282 HA MET 35 HA MET 35 -5.091 -6.385 4.722
283 HB2 MET 35 HB2 MET 35 -6.458 -6.284 7.286
284 HB3 MET 35 HB3 MET 35 -5.503 -4.825 7.011
285 HG2 MET 35 HG2 MET 35 -6.689 -5.333 4.542
286 HG3 MET 35 HG3 MET 35 -7.960 -5.700 5.705
287 HE1 MET 35 HE1 MET 35 -8.876 -4.568 7.192
288 HE2 MET 35 HE2 MET 35 -9.361 -2.885 6.941
289 HE3 MET 35 HE3 MET 35 -8.071 -3.275 8.078
290 HA PRO 36 HA PRO 36 -0.889 -5.901 6.147
291 HB2 PRO 36 HB2 PRO 36 0.012 -4.638 3.900
292 HB3 PRO 36 HB3 PRO 36 -0.251 -6.389 3.981
293 HG2 PRO 36 HG2 PRO 36 -1.857 -4.305 2.656
294 HG3 PRO 36 HG3 PRO 36 -1.686 -6.022 2.269
295 HD2 PRO 36 HD2 PRO 36 -3.839 -4.800 3.613
296 HD3 PRO 36 HD3 PRO 36 -3.543 -6.542 3.446
297 H VAL 37 H VAL 37 0.619 -3.667 5.475
298 HA VAL 37 HA VAL 37 -1.017 -1.298 6.281
299 HB VAL 37 HB VAL 37 1.619 -2.086 7.550
300 HG11 VAL 37 HG11 VAL 37 0.099 -0.569 9.310
301 HG12 VAL 37 HG12 VAL 37 -0.246 0.162 7.743
302 HG13 VAL 37 HG13 VAL 37 1.420 0.035 8.310
303 HG21 VAL 37 HG21 VAL 37 0.299 -3.830 8.329
304 HG22 VAL 37 HG22 VAL 37 -1.194 -2.906 8.172
305 HG23 VAL 37 HG23 VAL 37 -0.099 -2.590 9.518
306 H LEU 38 H LEU 38 0.423 0.746 6.086
307 HA LEU 38 HA LEU 38 2.674 0.491 4.180
308 HB2 LEU 38 HB2 LEU 38 0.174 0.626 3.172
309 HB3 LEU 38 HB3 LEU 38 0.491 2.349 3.369
310 HG LEU 38 HG LEU 38 2.708 0.793 2.180
311 HD11 LEU 38 HD11 LEU 38 1.496 0.979 -0.093
312 HD12 LEU 38 HD12 LEU 38 0.013 1.090 0.853
313 HD13 LEU 38 HD13 LEU 38 1.025 -0.350 0.966
314 HD21 LEU 38 HD21 LEU 38 2.307 3.386 2.517
315 HD22 LEU 38 HD22 LEU 38 1.399 3.228 1.014
316 HD23 LEU 38 HD23 LEU 38 3.108 2.797 1.061
317 H GLY 39 H GLY 39 3.856 2.528 3.976
318 HA2 GLY 39 HA2 GLY 39 3.892 4.975 4.575
319 HA3 GLY 39 HA3 GLY 39 3.166 4.507 6.113
320 H GLN 40 H GLN 40 6.007 3.542 4.149
321 HA GLN 40 HA GLN 40 7.605 2.505 6.211
322 HB2 GLN 40 HB2 GLN 40 8.326 4.131 3.751
323 HB3 GLN 40 HB3 GLN 40 9.472 3.154 4.668
324 HG2 GLN 40 HG2 GLN 40 7.527 1.316 4.275
325 HG3 GLN 40 HG3 GLN 40 7.308 2.296 2.825
326 HE21 GLN 40 HE21 GLN 40 8.156 0.040 1.929
327 HE22 GLN 40 HE22 GLN 40 9.838 -0.073 1.724
328 H HIS 41 H HIS 41 8.216 3.499 8.093
329 HA HIS 41 HA HIS 41 8.696 6.461 8.043
330 HB2 HIS 41 HB2 HIS 41 6.779 5.614 9.397
331 HB3 HIS 41 HB3 HIS 41 7.903 4.620 10.324
332 HD1 HIS 41 HD1 HIS 41 8.916 8.053 9.232
333 HD2 HIS 41 HD2 HIS 41 7.497 6.194 12.683
334 HE1 HIS 41 HE1 HIS 41 9.227 9.713 11.119
335 H ASP 42 H ASP 42 10.378 3.658 7.934
336 HA ASP 42 HA ASP 42 12.425 4.425 9.962
337 HB2 ASP 42 HB2 ASP 42 11.649 1.978 8.409
338 HB3 ASP 42 HB3 ASP 42 13.300 2.102 9.018
339 H VAL 43 H VAL 43 14.725 3.499 8.835
340 HA VAL 43 HA VAL 43 15.231 5.475 6.693
341 HB VAL 43 HB VAL 43 17.006 3.586 8.277
342 HG11 VAL 43 HG11 VAL 43 18.664 5.530 7.453
343 HG12 VAL 43 HG12 VAL 43 17.526 5.566 6.106
344 HG13 VAL 43 HG13 VAL 43 18.383 4.075 6.496
345 HG21 VAL 43 HG21 VAL 43 17.255 6.467 8.722
346 HG22 VAL 43 HG22 VAL 43 17.049 5.168 9.897
347 HG23 VAL 43 HG23 VAL 43 15.639 5.870 9.103
348 H ILE 44 H ILE 44 16.038 4.881 4.618
349 HA ILE 44 HA ILE 44 15.544 2.023 3.866
350 HB ILE 44 HB ILE 44 15.711 4.463 2.081
351 HG12 ILE 44 HG12 ILE 44 13.243 3.271 3.384
352 HG13 ILE 44 HG13 ILE 44 14.003 4.785 3.877
353 HG21 ILE 44 HG21 ILE 44 15.733 1.913 1.330
354 HG22 ILE 44 HG22 ILE 44 14.798 3.111 0.435
355 HG23 ILE 44 HG23 ILE 44 13.996 2.058 1.599
356 HD11 ILE 44 HD11 ILE 44 13.292 5.915 2.001
357 HD12 ILE 44 HD12 ILE 44 11.993 4.727 2.105
358 HD13 ILE 44 HD13 ILE 44 13.334 4.473 0.988
359 H SER 45 H SER 45 17.366 0.844 3.455
360 HA SER 45 HA SER 45 19.930 2.263 2.928
361 HB2 SER 45 HB2 SER 45 19.008 -0.189 4.212
362 HB3 SER 45 HB3 SER 45 20.344 -0.499 3.108
363 HG SER 45 HG SER 45 21.636 0.661 4.334
364 H ASP 46 H ASP 46 20.034 2.712 0.718
365 HA ASP 46 HA ASP 46 18.962 0.955 -1.325
366 HB2 ASP 46 HB2 ASP 46 20.576 3.456 -1.111
367 HB3 ASP 46 HB3 ASP 46 20.648 2.585 -2.644
368 HA PRO 47 HA PRO 47 22.443 -1.809 -1.342
369 HB2 PRO 47 HB2 PRO 47 21.687 -3.261 -3.534
370 HB3 PRO 47 HB3 PRO 47 20.943 -3.466 -1.935
371 HG2 PRO 47 HG2 PRO 47 19.938 -1.997 -4.316
372 HG3 PRO 47 HG3 PRO 47 19.052 -2.962 -3.126
373 HD2 PRO 47 HD2 PRO 47 19.121 -0.226 -3.127
374 HD3 PRO 47 HD3 PRO 47 18.834 -1.212 -1.676
Start of MODEL 6
1 H LEU 1 H LEU 1 -9.799 -2.790 3.876
2 HA LEU 1 HA LEU 1 -7.830 -2.310 2.801
3 HB2 LEU 1 HB2 LEU 1 -9.605 -2.781 0.415
4 HB3 LEU 1 HB3 LEU 1 -8.043 -1.989 0.206
5 HG LEU 1 HG LEU 1 -8.465 -4.680 1.540
6 HD11 LEU 1 HD11 LEU 1 -8.852 -4.937 -0.815
7 HD12 LEU 1 HD12 LEU 1 -7.199 -5.475 -0.520
8 HD13 LEU 1 HD13 LEU 1 -7.496 -3.883 -1.216
9 HD21 LEU 1 HD21 LEU 1 -6.465 -4.083 2.466
10 HD22 LEU 1 HD22 LEU 1 -6.186 -2.809 1.279
11 HD23 LEU 1 HD23 LEU 1 -5.820 -4.486 0.874
12 HA PRO 2 HA PRO 2 -9.413 1.902 3.115
13 HB2 PRO 2 HB2 PRO 2 -7.160 2.912 4.290
14 HB3 PRO 2 HB3 PRO 2 -8.423 2.053 5.192
15 HG2 PRO 2 HG2 PRO 2 -5.772 1.091 4.264
16 HG3 PRO 2 HG3 PRO 2 -6.660 0.702 5.744
17 HD2 PRO 2 HD2 PRO 2 -6.511 -0.940 3.541
18 HD3 PRO 2 HD3 PRO 2 -7.812 -0.997 4.750
19 H GLU 3 H GLU 3 -8.578 3.979 2.208
20 HA GLU 3 HA GLU 3 -7.669 3.826 -0.434
21 HB2 GLU 3 HB2 GLU 3 -7.824 5.869 1.721
22 HB3 GLU 3 HB3 GLU 3 -6.816 6.280 0.332
23 HG2 GLU 3 HG2 GLU 3 -8.813 6.990 -0.534
24 HG3 GLU 3 HG3 GLU 3 -8.973 5.286 -0.958
25 H GLU 4 H GLU 4 -5.754 3.914 2.540
26 HA GLU 4 HA GLU 4 -3.209 4.555 1.466
27 HB2 GLU 4 HB2 GLU 4 -4.324 3.096 3.815
28 HB3 GLU 4 HB3 GLU 4 -2.605 2.876 3.480
29 HG2 GLU 4 HG2 GLU 4 -2.282 4.821 4.583
30 HG3 GLU 4 HG3 GLU 4 -2.976 5.611 3.166
31 H LEU 5 H LEU 5 -4.764 1.368 1.844
32 HA LEU 5 HA LEU 5 -2.557 -0.064 0.597
33 HB2 LEU 5 HB2 LEU 5 -5.423 -0.761 1.296
34 HB3 LEU 5 HB3 LEU 5 -4.235 -1.937 0.737
35 HG LEU 5 HG LEU 5 -4.146 -0.287 3.272
36 HD11 LEU 5 HD11 LEU 5 -3.864 -3.273 2.888
37 HD12 LEU 5 HD12 LEU 5 -5.429 -2.497 3.129
38 HD13 LEU 5 HD13 LEU 5 -4.194 -2.398 4.383
39 HD21 LEU 5 HD21 LEU 5 -1.926 -1.484 3.619
40 HD22 LEU 5 HD22 LEU 5 -1.911 -0.222 2.386
41 HD23 LEU 5 HD23 LEU 5 -1.985 -1.918 1.910
42 H VAL 6 H VAL 6 -5.851 0.838 -0.428
43 HA VAL 6 HA VAL 6 -5.864 -0.282 -3.012
44 HB VAL 6 HB VAL 6 -7.009 2.313 -1.933
45 HG11 VAL 6 HG11 VAL 6 -7.222 0.966 -4.575
46 HG12 VAL 6 HG12 VAL 6 -7.394 2.673 -4.165
47 HG13 VAL 6 HG13 VAL 6 -8.729 1.558 -3.876
48 HG21 VAL 6 HG21 VAL 6 -8.104 -0.504 -2.201
49 HG22 VAL 6 HG22 VAL 6 -9.080 0.897 -1.757
50 HG23 VAL 6 HG23 VAL 6 -7.772 0.362 -0.701
51 H HIS 7 H HIS 7 -4.238 2.598 -1.814
52 HA HIS 7 HA HIS 7 -3.646 3.842 -4.331
53 HB2 HIS 7 HB2 HIS 7 -2.840 3.976 -1.499
54 HB3 HIS 7 HB3 HIS 7 -1.580 4.486 -2.622
55 HD1 HIS 7 HD1 HIS 7 -1.770 6.827 -3.476
56 HD2 HIS 7 HD2 HIS 7 -5.424 5.407 -2.058
57 HE1 HIS 7 HE1 HIS 7 -3.394 8.764 -3.615
58 H ALA 8 H ALA 8 -1.752 1.583 -2.296
59 HA ALA 8 HA ALA 8 0.498 1.383 -4.067
60 HB1 ALA 8 HB1 ALA 8 -0.702 -0.425 -1.952
61 HB2 ALA 8 HB2 ALA 8 0.625 0.720 -1.749
62 HB3 ALA 8 HB3 ALA 8 0.858 -0.738 -2.714
63 H GLY 9 H GLY 9 -1.792 -1.260 -3.403
64 HA2 GLY 9 HA2 GLY 9 -2.905 -1.712 -5.889
65 HA3 GLY 9 HA3 GLY 9 -1.302 -2.433 -6.025
66 H TRP 10 H TRP 10 -3.235 -2.365 -3.056
67 HA TRP 10 HA TRP 10 -3.057 -5.319 -2.937
68 HB2 TRP 10 HB2 TRP 10 -3.807 -3.073 -1.063
69 HB3 TRP 10 HB3 TRP 10 -4.094 -4.756 -0.625
70 HD1 TRP 10 HD1 TRP 10 -1.358 -2.195 -1.056
71 HE1 TRP 10 HE1 TRP 10 0.891 -3.204 -0.299
72 HE3 TRP 10 HE3 TRP 10 -2.737 -7.078 -0.447
73 HZ2 TRP 10 HZ2 TRP 10 1.963 -5.741 0.464
74 HZ3 TRP 10 HZ3 TRP 10 -1.081 -8.766 0.291
75 HH2 TRP 10 HH2 TRP 10 1.264 -8.105 0.749
76 H GLU 11 H GLU 11 -4.960 -6.643 -2.675
77 HA GLU 11 HA GLU 11 -7.620 -5.392 -3.002
78 HB2 GLU 11 HB2 GLU 11 -8.015 -6.744 -5.082
79 HB3 GLU 11 HB3 GLU 11 -6.763 -5.518 -5.283
80 HG2 GLU 11 HG2 GLU 11 -5.425 -7.188 -6.006
81 HG3 GLU 11 HG3 GLU 11 -5.370 -7.732 -4.330
82 H LYS 12 H LYS 12 -9.027 -6.579 -1.776
83 HA LYS 12 HA LYS 12 -8.218 -9.070 -0.524
84 HB2 LYS 12 HB2 LYS 12 -9.879 -7.073 0.117
85 HB3 LYS 12 HB3 LYS 12 -11.059 -8.141 -0.642
86 HG2 LYS 12 HG2 LYS 12 -9.893 -9.979 0.862
87 HG3 LYS 12 HG3 LYS 12 -9.423 -8.581 1.829
88 HD2 LYS 12 HD2 LYS 12 -11.669 -7.970 2.251
89 HD3 LYS 12 HD3 LYS 12 -12.278 -8.983 0.941
90 HE2 LYS 12 HE2 LYS 12 -12.333 -10.840 2.263
91 HE3 LYS 12 HE3 LYS 12 -10.754 -10.471 2.986
92 HZ1 LYS 12 HZ1 LYS 12 -12.156 -10.031 4.738
93 HZ2 LYS 12 HZ2 LYS 12 -13.420 -9.485 3.746
94 HZ3 LYS 12 HZ3 LYS 12 -12.066 -8.494 4.018
95 H CYS 13 H CYS 13 -8.636 -11.146 -1.226
96 HA CYS 13 HA CYS 13 -10.765 -11.613 -3.247
97 HB2 CYS 13 HB2 CYS 13 -7.795 -11.869 -3.621
98 HB3 CYS 13 HB3 CYS 13 -8.871 -12.958 -4.496
99 HG CYS 13 HG CYS 13 -8.408 -10.654 -5.836
100 H TRP 14 H TRP 14 -10.413 -14.189 -3.843
101 HA TRP 14 HA TRP 14 -10.201 -15.591 -1.194
102 HB2 TRP 14 HB2 TRP 14 -12.486 -15.445 -1.988
103 HB3 TRP 14 HB3 TRP 14 -12.010 -15.992 -3.595
104 HD1 TRP 14 HD1 TRP 14 -11.413 -18.556 -3.912
105 HE1 TRP 14 HE1 TRP 14 -11.957 -20.642 -2.498
106 HE3 TRP 14 HE3 TRP 14 -12.832 -16.316 0.452
107 HZ2 TRP 14 HZ2 TRP 14 -12.874 -21.275 0.136
108 HZ3 TRP 14 HZ3 TRP 14 -13.535 -17.683 2.396
109 HH2 TRP 14 HH2 TRP 14 -13.559 -20.157 2.244
110 H SER 15 H SER 15 -8.171 -16.583 -1.338
111 HA SER 15 HA SER 15 -7.062 -17.594 -3.818
112 HB2 SER 15 HB2 SER 15 -5.754 -16.768 -1.878
113 HB3 SER 15 HB3 SER 15 -6.363 -18.107 -0.907
114 HG SER 15 HG SER 15 -5.447 -19.457 -2.670
115 H ARG 16 H ARG 16 -7.683 -19.487 -4.776
116 HA ARG 16 HA ARG 16 -9.456 -21.387 -3.515
117 HB2 ARG 16 HB2 ARG 16 -7.763 -21.365 -6.028
118 HB3 ARG 16 HB3 ARG 16 -8.882 -22.674 -5.643
119 HG2 ARG 16 HG2 ARG 16 -10.644 -20.790 -5.342
120 HG3 ARG 16 HG3 ARG 16 -9.502 -19.784 -6.235
121 HD2 ARG 16 HD2 ARG 16 -9.785 -22.329 -7.574
122 HD3 ARG 16 HD3 ARG 16 -11.380 -21.588 -7.336
123 HE ARG 16 HE ARG 16 -9.080 -20.248 -8.699
124 HH11 ARG 16 HH11 ARG 16 -11.350 -20.992 -10.393
125 HH12 ARG 16 HH12 ARG 16 -12.338 -19.569 -10.388
126 HH21 ARG 16 HH21 ARG 16 -10.809 -18.196 -7.595
127 HH22 ARG 16 HH22 ARG 16 -12.030 -17.986 -8.805
128 H ARG 17 H ARG 17 -5.947 -21.237 -3.978
129 HA ARG 17 HA ARG 17 -5.333 -23.951 -3.303
130 HB2 ARG 17 HB2 ARG 17 -4.024 -21.507 -3.933
131 HB3 ARG 17 HB3 ARG 17 -3.314 -22.098 -2.430
132 HG2 ARG 17 HG2 ARG 17 -2.350 -23.890 -3.446
133 HG3 ARG 17 HG3 ARG 17 -3.753 -24.181 -4.474
134 HD2 ARG 17 HD2 ARG 17 -2.760 -21.766 -5.437
135 HD3 ARG 17 HD3 ARG 17 -1.299 -22.710 -5.086
136 HE ARG 17 HE ARG 17 -3.066 -23.264 -7.241
137 HH11 ARG 17 HH11 ARG 17 -0.724 -24.606 -5.213
138 HH12 ARG 17 HH12 ARG 17 -1.015 -26.247 -5.684
139 HH21 ARG 17 HH21 ARG 17 -3.811 -25.485 -7.587
140 HH22 ARG 17 HH22 ARG 17 -2.761 -26.744 -7.027
141 H GLU 18 H GLU 18 -5.503 -21.006 -1.309
142 HA GLU 18 HA GLU 18 -5.004 -22.503 1.175
143 HB2 GLU 18 HB2 GLU 18 -4.996 -19.790 0.175
144 HB3 GLU 18 HB3 GLU 18 -5.928 -19.881 1.670
145 HG2 GLU 18 HG2 GLU 18 -3.081 -20.828 1.244
146 HG3 GLU 18 HG3 GLU 18 -3.605 -19.472 2.243
147 H ASN 19 H ASN 19 -7.708 -21.769 -0.765
148 HA ASN 19 HA ASN 19 -10.024 -22.076 -0.430
149 HB2 ASN 19 HB2 ASN 19 -9.155 -24.229 0.445
150 HB3 ASN 19 HB3 ASN 19 -8.969 -23.496 2.038
151 HD21 ASN 19 HD21 ASN 19 -10.578 -25.293 2.660
152 HD22 ASN 19 HD22 ASN 19 -12.232 -24.966 2.464
153 H ARG 20 H ARG 20 -9.046 -19.587 0.359
154 HA ARG 20 HA ARG 20 -11.060 -18.696 2.222
155 HB2 ARG 20 HB2 ARG 20 -9.392 -18.058 4.021
156 HB3 ARG 20 HB3 ARG 20 -9.636 -19.792 3.838
157 HG2 ARG 20 HG2 ARG 20 -7.453 -20.078 3.382
158 HG3 ARG 20 HG3 ARG 20 -7.570 -18.951 2.030
159 HD2 ARG 20 HD2 ARG 20 -6.657 -17.234 3.232
160 HD3 ARG 20 HD3 ARG 20 -7.542 -17.676 4.705
161 HE ARG 20 HE ARG 20 -5.351 -19.480 3.833
162 HH11 ARG 20 HH11 ARG 20 -5.762 -16.562 5.466
163 HH12 ARG 20 HH12 ARG 20 -4.962 -17.065 6.917
164 HH21 ARG 20 HH21 ARG 20 -4.674 -20.376 5.927
165 HH22 ARG 20 HH22 ARG 20 -4.346 -19.224 7.179
166 HA PRO 21 HA PRO 21 -9.704 -14.915 0.462
167 HB2 PRO 21 HB2 PRO 21 -10.402 -13.086 2.370
168 HB3 PRO 21 HB3 PRO 21 -11.578 -13.953 1.368
169 HG2 PRO 21 HG2 PRO 21 -10.947 -14.284 4.205
170 HG3 PRO 21 HG3 PRO 21 -12.381 -14.778 3.299
171 HD2 PRO 21 HD2 PRO 21 -10.185 -16.404 4.139
172 HD3 PRO 21 HD3 PRO 21 -11.619 -16.901 3.217
173 H TYR 22 H TYR 22 -8.210 -13.066 0.643
174 HA TYR 22 HA TYR 22 -6.352 -12.889 2.894
175 HB2 TYR 22 HB2 TYR 22 -4.436 -13.809 1.703
176 HB3 TYR 22 HB3 TYR 22 -5.731 -15.004 1.694
177 HD1 TYR 22 HD1 TYR 22 -7.417 -14.782 -0.361
178 HD2 TYR 22 HD2 TYR 22 -3.375 -13.329 -0.319
179 HE1 TYR 22 HE1 TYR 22 -7.379 -14.822 -2.840
180 HE2 TYR 22 HE2 TYR 22 -3.336 -13.372 -2.799
181 HH TYR 22 HH TYR 22 -5.349 -13.215 -4.671
182 H TYR 23 H TYR 23 -4.179 -12.001 1.019
183 HA TYR 23 HA TYR 23 -5.459 -9.598 -0.221
184 HB2 TYR 23 HB2 TYR 23 -3.223 -9.739 1.818
185 HB3 TYR 23 HB3 TYR 23 -3.527 -8.302 0.844
186 HD1 TYR 23 HD1 TYR 23 -5.581 -6.991 1.121
187 HD2 TYR 23 HD2 TYR 23 -4.802 -10.456 3.538
188 HE1 TYR 23 HE1 TYR 23 -7.390 -6.313 2.675
189 HE2 TYR 23 HE2 TYR 23 -6.611 -9.778 5.092
190 HH TYR 23 HH TYR 23 -8.905 -7.423 4.326
191 H PHE 24 H PHE 24 -4.645 -9.284 -2.261
192 HA PHE 24 HA PHE 24 -1.970 -10.490 -2.896
193 HB2 PHE 24 HB2 PHE 24 -3.664 -11.852 -3.887
194 HB3 PHE 24 HB3 PHE 24 -4.590 -10.444 -4.407
195 HD1 PHE 24 HD1 PHE 24 -1.061 -11.697 -4.735
196 HD2 PHE 24 HD2 PHE 24 -4.475 -9.956 -6.674
197 HE1 PHE 24 HE1 PHE 24 0.172 -11.676 -6.886
198 HE2 PHE 24 HE2 PHE 24 -3.242 -9.936 -8.826
199 HZ PHE 24 HZ PHE 24 -0.918 -10.796 -8.932
200 H ASN 25 H ASN 25 -0.612 -8.757 -3.191
201 HA ASN 25 HA ASN 25 -1.576 -6.150 -4.093
202 HB2 ASN 25 HB2 ASN 25 0.432 -6.928 -2.543
203 HB3 ASN 25 HB3 ASN 25 1.300 -6.990 -4.072
204 HD21 ASN 25 HD21 ASN 25 -1.230 -4.703 -2.972
205 HD22 ASN 25 HD22 ASN 25 -0.281 -3.311 -3.172
206 H ARG 26 H ARG 26 -2.350 -6.284 -6.232
207 HA ARG 26 HA ARG 26 -1.207 -7.817 -8.344
208 HB2 ARG 26 HB2 ARG 26 -2.649 -6.452 -9.727
209 HB3 ARG 26 HB3 ARG 26 -3.474 -6.696 -8.188
210 HG2 ARG 26 HG2 ARG 26 -2.628 -4.501 -7.401
211 HG3 ARG 26 HG3 ARG 26 -1.858 -4.252 -8.969
212 HD2 ARG 26 HD2 ARG 26 -4.031 -4.307 -10.094
213 HD3 ARG 26 HD3 ARG 26 -4.841 -4.671 -8.558
214 HE ARG 26 HE ARG 26 -4.505 -2.415 -7.890
215 HH11 ARG 26 HH11 ARG 26 -3.842 -2.736 -11.137
216 HH12 ARG 26 HH12 ARG 26 -2.812 -1.348 -11.259
217 HH21 ARG 26 HH21 ARG 26 -2.656 -0.832 -7.833
218 HH22 ARG 26 HH22 ARG 26 -2.142 -0.270 -9.389
219 H PHE 27 H PHE 27 -0.029 -5.000 -6.777
220 HA PHE 27 HA PHE 27 1.490 -3.996 -9.099
221 HB2 PHE 27 HB2 PHE 27 0.383 -2.848 -6.918
222 HB3 PHE 27 HB3 PHE 27 2.014 -3.110 -6.303
223 HD1 PHE 27 HD1 PHE 27 0.564 -2.134 -9.630
224 HD2 PHE 27 HD2 PHE 27 3.347 -1.212 -6.491
225 HE1 PHE 27 HE1 PHE 27 1.360 -0.169 -10.915
226 HE2 PHE 27 HE2 PHE 27 4.143 0.754 -7.775
227 HZ PHE 27 HZ PHE 27 3.150 1.275 -9.987
228 H THR 28 H THR 28 2.323 -5.270 -5.845
229 HA THR 28 HA THR 28 5.062 -5.902 -6.834
230 HB THR 28 HB THR 28 5.567 -6.068 -4.453
231 HG1 THR 28 HG1 THR 28 3.480 -5.474 -3.167
232 HG21 THR 28 HG21 THR 28 5.596 -3.825 -4.324
233 HG22 THR 28 HG22 THR 28 3.849 -3.783 -4.081
234 HG23 THR 28 HG23 THR 28 4.512 -3.769 -5.715
235 H ASN 29 H ASN 29 2.309 -7.442 -7.164
236 HA ASN 29 HA ASN 29 1.654 -9.706 -7.285
237 HB2 ASN 29 HB2 ASN 29 3.770 -9.649 -8.611
238 HB3 ASN 29 HB3 ASN 29 4.665 -10.053 -7.146
239 HD21 ASN 29 HD21 ASN 29 1.927 -11.298 -9.138
240 HD22 ASN 29 HD22 ASN 29 2.263 -12.935 -8.841
241 H GLN 30 H GLN 30 2.481 -8.359 -4.548
242 HA GLN 30 HA GLN 30 3.438 -10.401 -2.799
243 HB2 GLN 30 HB2 GLN 30 2.507 -7.720 -2.730
244 HB3 GLN 30 HB3 GLN 30 1.563 -8.612 -1.536
245 HG2 GLN 30 HG2 GLN 30 3.512 -9.331 -0.377
246 HG3 GLN 30 HG3 GLN 30 4.565 -8.858 -1.710
247 HE21 GLN 30 HE21 GLN 30 4.435 -7.910 1.217
248 HE22 GLN 30 HE22 GLN 30 4.344 -6.220 1.098
249 H SER 31 H SER 31 2.170 -11.625 -1.214
250 HA SER 31 HA SER 31 -0.724 -11.981 -1.765
251 HB2 SER 31 HB2 SER 31 -0.070 -14.555 -1.796
252 HB3 SER 31 HB3 SER 31 0.037 -13.594 -3.268
253 HG SER 31 HG SER 31 1.967 -14.688 -2.980
254 H LEU 32 H LEU 32 -0.820 -11.092 0.441
255 HA LEU 32 HA LEU 32 0.415 -12.651 2.625
256 HB2 LEU 32 HB2 LEU 32 -1.415 -10.228 2.577
257 HB3 LEU 32 HB3 LEU 32 -0.521 -10.810 3.981
258 HG LEU 32 HG LEU 32 0.662 -9.771 1.391
259 HD11 LEU 32 HD11 LEU 32 0.597 -8.744 4.242
260 HD12 LEU 32 HD12 LEU 32 -0.069 -7.963 2.806
261 HD13 LEU 32 HD13 LEU 32 1.678 -8.100 3.006
262 HD21 LEU 32 HD21 LEU 32 1.733 -11.482 3.531
263 HD22 LEU 32 HD22 LEU 32 2.710 -10.047 3.216
264 HD23 LEU 32 HD23 LEU 32 2.362 -11.182 1.911
265 H TRP 33 H TRP 33 -1.539 -12.372 4.567
266 HA TRP 33 HA TRP 33 -3.918 -13.879 3.556
267 HB2 TRP 33 HB2 TRP 33 -2.110 -14.542 5.901
268 HB3 TRP 33 HB3 TRP 33 -3.587 -15.409 5.499
269 HD1 TRP 33 HD1 TRP 33 -0.027 -15.554 4.958
270 HE1 TRP 33 HE1 TRP 33 0.574 -17.066 2.953
271 HE3 TRP 33 HE3 TRP 33 -4.622 -15.989 2.799
272 HZ2 TRP 33 HZ2 TRP 33 -0.737 -18.295 0.722
273 HZ3 TRP 33 HZ3 TRP 33 -4.925 -17.333 0.736
274 HH2 TRP 33 HH2 TRP 33 -2.990 -18.485 -0.303
275 H GLU 34 H GLU 34 -2.831 -11.195 5.092
276 HA GLU 34 HA GLU 34 -5.394 -10.796 6.515
277 HB2 GLU 34 HB2 GLU 34 -2.999 -11.664 7.788
278 HB3 GLU 34 HB3 GLU 34 -3.238 -9.976 8.241
279 HG2 GLU 34 HG2 GLU 34 -5.378 -10.408 9.162
280 HG3 GLU 34 HG3 GLU 34 -5.496 -11.976 8.362
281 H MET 35 H MET 35 -5.842 -8.532 6.770
282 HA MET 35 HA MET 35 -5.014 -6.715 4.878
283 HB2 MET 35 HB2 MET 35 -6.428 -6.729 7.328
284 HB3 MET 35 HB3 MET 35 -5.305 -5.370 7.412
285 HG2 MET 35 HG2 MET 35 -6.724 -5.722 4.833
286 HG3 MET 35 HG3 MET 35 -7.719 -5.215 6.195
287 HE1 MET 35 HE1 MET 35 -8.134 -2.428 6.112
288 HE2 MET 35 HE2 MET 35 -6.838 -1.903 7.197
289 HE3 MET 35 HE3 MET 35 -7.638 -3.452 7.457
290 HA PRO 36 HA PRO 36 -0.767 -6.083 6.033
291 HB2 PRO 36 HB2 PRO 36 -0.112 -4.575 3.852
292 HB3 PRO 36 HB3 PRO 36 -0.295 -6.337 3.786
293 HG2 PRO 36 HG2 PRO 36 -2.078 -4.225 2.780
294 HG3 PRO 36 HG3 PRO 36 -1.897 -5.901 2.250
295 HD2 PRO 36 HD2 PRO 36 -3.945 -4.841 3.886
296 HD3 PRO 36 HD3 PRO 36 -3.652 -6.550 3.512
297 H VAL 37 H VAL 37 0.684 -3.916 5.911
298 HA VAL 37 HA VAL 37 -0.997 -1.600 6.809
299 HB VAL 37 HB VAL 37 1.571 -2.672 8.029
300 HG11 VAL 37 HG11 VAL 37 0.685 -1.029 9.891
301 HG12 VAL 37 HG12 VAL 37 -0.157 -0.270 8.540
302 HG13 VAL 37 HG13 VAL 37 1.602 -0.393 8.525
303 HG21 VAL 37 HG21 VAL 37 0.170 -3.394 9.884
304 HG22 VAL 37 HG22 VAL 37 -0.473 -4.088 8.394
305 HG23 VAL 37 HG23 VAL 37 -1.259 -2.688 9.126
306 H LEU 38 H LEU 38 0.503 0.448 6.889
307 HA LEU 38 HA LEU 38 2.629 0.358 4.802
308 HB2 LEU 38 HB2 LEU 38 -0.030 1.124 4.343
309 HB3 LEU 38 HB3 LEU 38 0.853 2.643 4.487
310 HG LEU 38 HG LEU 38 2.486 0.923 2.943
311 HD11 LEU 38 HD11 LEU 38 0.302 -0.362 2.643
312 HD12 LEU 38 HD12 LEU 38 1.074 0.187 1.156
313 HD13 LEU 38 HD13 LEU 38 -0.314 1.062 1.804
314 HD21 LEU 38 HD21 LEU 38 1.670 3.533 2.937
315 HD22 LEU 38 HD22 LEU 38 0.810 2.909 1.530
316 HD23 LEU 38 HD23 LEU 38 2.567 2.780 1.618
317 H GLY 39 H GLY 39 3.048 3.101 4.594
318 HA2 GLY 39 HA2 GLY 39 3.615 5.064 5.858
319 HA3 GLY 39 HA3 GLY 39 3.287 4.170 7.345
320 H GLN 40 H GLN 40 5.230 2.710 4.850
321 HA GLN 40 HA GLN 40 7.394 2.000 6.476
322 HB2 GLN 40 HB2 GLN 40 6.829 2.373 3.592
323 HB3 GLN 40 HB3 GLN 40 8.541 2.351 4.021
324 HG2 GLN 40 HG2 GLN 40 7.183 0.273 5.472
325 HG3 GLN 40 HG3 GLN 40 6.799 0.127 3.756
326 HE21 GLN 40 HE21 GLN 40 9.737 0.916 5.718
327 HE22 GLN 40 HE22 GLN 40 10.777 -0.077 4.817
328 H HIS 41 H HIS 41 9.474 2.962 6.844
329 HA HIS 41 HA HIS 41 9.931 5.750 5.952
330 HB2 HIS 41 HB2 HIS 41 8.486 5.564 8.116
331 HB3 HIS 41 HB3 HIS 41 9.994 5.083 8.894
332 HD1 HIS 41 HD1 HIS 41 8.786 7.905 6.614
333 HD2 HIS 41 HD2 HIS 41 11.463 7.256 9.744
334 HE1 HIS 41 HE1 HIS 41 9.813 10.155 7.156
335 H ASP 42 H ASP 42 11.675 4.333 4.904
336 HA ASP 42 HA ASP 42 13.917 3.814 6.834
337 HB2 ASP 42 HB2 ASP 42 12.727 2.356 4.548
338 HB3 ASP 42 HB3 ASP 42 14.491 2.363 4.589
339 H VAL 43 H VAL 43 15.977 3.574 5.003
340 HA VAL 43 HA VAL 43 16.060 6.284 3.711
341 HB VAL 43 HB VAL 43 18.381 4.706 4.848
342 HG11 VAL 43 HG11 VAL 43 17.905 7.546 3.956
343 HG12 VAL 43 HG12 VAL 43 19.190 6.440 3.470
344 HG13 VAL 43 HG13 VAL 43 19.206 7.159 5.081
345 HG21 VAL 43 HG21 VAL 43 16.227 6.140 6.228
346 HG22 VAL 43 HG22 VAL 43 17.830 6.754 6.634
347 HG23 VAL 43 HG23 VAL 43 17.449 5.051 6.885
348 H ILE 44 H ILE 44 15.122 4.104 2.220
349 HA ILE 44 HA ILE 44 17.048 2.550 0.837
350 HB ILE 44 HB ILE 44 15.240 2.441 -0.882
351 HG12 ILE 44 HG12 ILE 44 13.114 3.790 -0.018
352 HG13 ILE 44 HG13 ILE 44 14.351 4.857 0.647
353 HG21 ILE 44 HG21 ILE 44 13.962 1.126 0.473
354 HG22 ILE 44 HG22 ILE 44 13.691 2.422 1.638
355 HG23 ILE 44 HG23 ILE 44 15.193 1.500 1.679
356 HD11 ILE 44 HD11 ILE 44 15.280 5.294 -1.496
357 HD12 ILE 44 HD12 ILE 44 13.534 5.384 -1.733
358 HD13 ILE 44 HD13 ILE 44 14.418 3.942 -2.230
359 H SER 45 H SER 45 17.293 2.979 -1.714
360 HA SER 45 HA SER 45 17.838 5.847 -2.284
361 HB2 SER 45 HB2 SER 45 19.799 3.680 -1.762
362 HB3 SER 45 HB3 SER 45 20.152 4.706 -3.149
363 HG SER 45 HG SER 45 20.972 5.453 -1.069
364 H ASP 46 H ASP 46 19.177 5.579 -4.660
365 HA ASP 46 HA ASP 46 17.565 3.683 -6.320
366 HB2 ASP 46 HB2 ASP 46 16.443 5.859 -6.296
367 HB3 ASP 46 HB3 ASP 46 17.954 6.668 -6.714
368 HA PRO 47 HA PRO 47 21.596 3.054 -8.039
369 HB2 PRO 47 HB2 PRO 47 20.829 1.510 -10.165
370 HB3 PRO 47 HB3 PRO 47 20.902 0.897 -8.501
371 HG2 PRO 47 HG2 PRO 47 18.548 1.783 -10.090
372 HG3 PRO 47 HG3 PRO 47 18.697 0.443 -8.941
373 HD2 PRO 47 HD2 PRO 47 17.521 2.834 -8.337
374 HD3 PRO 47 HD3 PRO 47 18.292 1.780 -7.131
Start of MODEL 7
1 H LEU 1 H LEU 1 -10.377 -2.699 3.180
2 HA LEU 1 HA LEU 1 -7.499 -2.170 2.688
3 HB2 LEU 1 HB2 LEU 1 -9.976 -2.928 1.147
4 HB3 LEU 1 HB3 LEU 1 -8.609 -2.178 0.324
5 HG LEU 1 HG LEU 1 -8.383 -4.649 2.062
6 HD11 LEU 1 HD11 LEU 1 -9.745 -4.767 -0.176
7 HD12 LEU 1 HD12 LEU 1 -8.508 -5.983 0.144
8 HD13 LEU 1 HD13 LEU 1 -8.160 -4.633 -0.937
9 HD21 LEU 1 HD21 LEU 1 -6.287 -3.489 1.931
10 HD22 LEU 1 HD22 LEU 1 -6.500 -3.165 0.210
11 HD23 LEU 1 HD23 LEU 1 -6.190 -4.810 0.766
12 HA PRO 2 HA PRO 2 -9.533 1.942 3.150
13 HB2 PRO 2 HB2 PRO 2 -7.404 3.133 4.387
14 HB3 PRO 2 HB3 PRO 2 -8.650 2.226 5.267
15 HG2 PRO 2 HG2 PRO 2 -5.912 1.388 4.463
16 HG3 PRO 2 HG3 PRO 2 -6.815 1.027 5.942
17 HD2 PRO 2 HD2 PRO 2 -6.522 -0.733 3.867
18 HD3 PRO 2 HD3 PRO 2 -7.887 -0.759 5.004
19 H GLU 3 H GLU 3 -8.665 4.082 2.275
20 HA GLU 3 HA GLU 3 -7.703 3.900 -0.347
21 HB2 GLU 3 HB2 GLU 3 -8.707 5.850 1.047
22 HB3 GLU 3 HB3 GLU 3 -7.037 6.194 1.496
23 HG2 GLU 3 HG2 GLU 3 -8.038 5.974 -1.357
24 HG3 GLU 3 HG3 GLU 3 -7.777 7.495 -0.501
25 H GLU 4 H GLU 4 -5.876 3.926 2.666
26 HA GLU 4 HA GLU 4 -3.292 4.569 1.694
27 HB2 GLU 4 HB2 GLU 4 -4.551 3.236 3.996
28 HB3 GLU 4 HB3 GLU 4 -2.900 2.699 3.684
29 HG2 GLU 4 HG2 GLU 4 -2.150 5.063 3.657
30 HG3 GLU 4 HG3 GLU 4 -3.798 5.577 4.021
31 H LEU 5 H LEU 5 -4.930 1.411 1.891
32 HA LEU 5 HA LEU 5 -2.687 -0.026 0.693
33 HB2 LEU 5 HB2 LEU 5 -5.560 -0.652 1.400
34 HB3 LEU 5 HB3 LEU 5 -4.502 -1.847 0.651
35 HG LEU 5 HG LEU 5 -4.103 -0.455 3.310
36 HD11 LEU 5 HD11 LEU 5 -4.062 -2.828 4.117
37 HD12 LEU 5 HD12 LEU 5 -4.469 -3.349 2.483
38 HD13 LEU 5 HD13 LEU 5 -5.607 -2.365 3.404
39 HD21 LEU 5 HD21 LEU 5 -1.906 -0.545 2.538
40 HD22 LEU 5 HD22 LEU 5 -2.212 -1.957 1.527
41 HD23 LEU 5 HD23 LEU 5 -2.060 -2.141 3.275
42 H VAL 6 H VAL 6 -5.816 1.219 -0.418
43 HA VAL 6 HA VAL 6 -5.899 0.067 -3.000
44 HB VAL 6 HB VAL 6 -6.812 2.743 -1.904
45 HG11 VAL 6 HG11 VAL 6 -7.274 3.301 -4.041
46 HG12 VAL 6 HG12 VAL 6 -8.471 2.007 -4.029
47 HG13 VAL 6 HG13 VAL 6 -6.841 1.694 -4.623
48 HG21 VAL 6 HG21 VAL 6 -7.884 -0.035 -1.987
49 HG22 VAL 6 HG22 VAL 6 -9.041 1.266 -2.260
50 HG23 VAL 6 HG23 VAL 6 -8.105 1.218 -0.767
51 H HIS 7 H HIS 7 -4.176 2.925 -1.821
52 HA HIS 7 HA HIS 7 -3.335 3.948 -4.366
53 HB2 HIS 7 HB2 HIS 7 -2.985 4.436 -1.559
54 HB3 HIS 7 HB3 HIS 7 -1.400 4.465 -2.331
55 HD1 HIS 7 HD1 HIS 7 -1.147 7.030 -2.256
56 HD2 HIS 7 HD2 HIS 7 -4.579 5.771 -4.260
57 HE1 HIS 7 HE1 HIS 7 -2.080 9.071 -3.431
58 H ALA 8 H ALA 8 -1.814 1.654 -2.089
59 HA ALA 8 HA ALA 8 0.635 1.322 -3.554
60 HB1 ALA 8 HB1 ALA 8 -0.432 -0.961 -2.010
61 HB2 ALA 8 HB2 ALA 8 -0.407 0.570 -1.136
62 HB3 ALA 8 HB3 ALA 8 1.086 -0.084 -1.810
63 H GLY 9 H GLY 9 -2.096 -0.957 -3.264
64 HA2 GLY 9 HA2 GLY 9 -2.895 -1.539 -5.743
65 HA3 GLY 9 HA3 GLY 9 -1.266 -2.210 -5.819
66 H TRP 10 H TRP 10 -3.292 -2.287 -2.916
67 HA TRP 10 HA TRP 10 -3.056 -5.238 -2.902
68 HB2 TRP 10 HB2 TRP 10 -3.913 -3.085 -0.960
69 HB3 TRP 10 HB3 TRP 10 -4.136 -4.794 -0.594
70 HD1 TRP 10 HD1 TRP 10 -1.500 -2.109 -0.886
71 HE1 TRP 10 HE1 TRP 10 0.770 -3.047 -0.101
72 HE3 TRP 10 HE3 TRP 10 -2.693 -7.059 -0.439
73 HZ2 TRP 10 HZ2 TRP 10 1.927 -5.560 0.619
74 HZ3 TRP 10 HZ3 TRP 10 -0.987 -8.699 0.299
75 HH2 TRP 10 HH2 TRP 10 1.319 -7.956 0.829
76 H GLU 11 H GLU 11 -5.008 -6.552 -2.455
77 HA GLU 11 HA GLU 11 -7.659 -5.373 -2.868
78 HB2 GLU 11 HB2 GLU 11 -8.061 -6.331 -5.027
79 HB3 GLU 11 HB3 GLU 11 -6.491 -5.536 -5.142
80 HG2 GLU 11 HG2 GLU 11 -5.368 -7.694 -4.725
81 HG3 GLU 11 HG3 GLU 11 -6.937 -8.490 -4.614
82 H LYS 12 H LYS 12 -9.132 -6.684 -1.838
83 HA LYS 12 HA LYS 12 -8.238 -9.140 -0.552
84 HB2 LYS 12 HB2 LYS 12 -10.150 -7.188 -0.149
85 HB3 LYS 12 HB3 LYS 12 -11.121 -8.563 -0.675
86 HG2 LYS 12 HG2 LYS 12 -9.900 -9.971 1.028
87 HG3 LYS 12 HG3 LYS 12 -9.165 -8.487 1.636
88 HD2 LYS 12 HD2 LYS 12 -11.184 -7.655 2.446
89 HD3 LYS 12 HD3 LYS 12 -12.147 -8.622 1.328
90 HE2 LYS 12 HE2 LYS 12 -11.102 -10.659 2.658
91 HE3 LYS 12 HE3 LYS 12 -10.889 -9.438 3.929
92 HZ1 LYS 12 HZ1 LYS 12 -13.431 -9.548 2.461
93 HZ2 LYS 12 HZ2 LYS 12 -13.128 -9.023 4.045
94 HZ3 LYS 12 HZ3 LYS 12 -13.154 -10.685 3.692
95 H CYS 13 H CYS 13 -8.412 -11.191 -1.377
96 HA CYS 13 HA CYS 13 -10.443 -11.719 -3.504
97 HB2 CYS 13 HB2 CYS 13 -7.449 -12.156 -3.594
98 HB3 CYS 13 HB3 CYS 13 -8.557 -12.971 -4.700
99 HG CYS 13 HG CYS 13 -8.630 -10.893 -6.031
100 H TRP 14 H TRP 14 -10.227 -14.256 -4.012
101 HA TRP 14 HA TRP 14 -10.084 -15.669 -1.364
102 HB2 TRP 14 HB2 TRP 14 -12.355 -15.459 -2.149
103 HB3 TRP 14 HB3 TRP 14 -11.898 -15.963 -3.776
104 HD1 TRP 14 HD1 TRP 14 -11.326 -18.541 -4.161
105 HE1 TRP 14 HE1 TRP 14 -11.962 -20.653 -2.824
106 HE3 TRP 14 HE3 TRP 14 -12.809 -16.393 0.226
107 HZ2 TRP 14 HZ2 TRP 14 -12.967 -21.338 -0.234
108 HZ3 TRP 14 HZ3 TRP 14 -13.600 -17.795 2.110
109 HH2 TRP 14 HH2 TRP 14 -13.681 -20.262 1.885
110 H SER 15 H SER 15 -8.120 -16.778 -1.474
111 HA SER 15 HA SER 15 -7.004 -17.816 -3.941
112 HB2 SER 15 HB2 SER 15 -5.949 -17.089 -1.642
113 HB3 SER 15 HB3 SER 15 -6.282 -18.754 -1.175
114 HG SER 15 HG SER 15 -4.307 -17.786 -2.703
115 H ARG 16 H ARG 16 -7.580 -19.723 -4.915
116 HA ARG 16 HA ARG 16 -9.551 -21.504 -3.765
117 HB2 ARG 16 HB2 ARG 16 -7.777 -21.423 -6.196
118 HB3 ARG 16 HB3 ARG 16 -8.735 -22.863 -5.855
119 HG2 ARG 16 HG2 ARG 16 -10.534 -21.852 -6.746
120 HG3 ARG 16 HG3 ARG 16 -10.444 -20.623 -5.483
121 HD2 ARG 16 HD2 ARG 16 -8.491 -20.306 -7.699
122 HD3 ARG 16 HD3 ARG 16 -10.192 -20.026 -8.120
123 HE ARG 16 HE ARG 16 -9.935 -18.692 -5.729
124 HH11 ARG 16 HH11 ARG 16 -6.993 -18.533 -6.627
125 HH12 ARG 16 HH12 ARG 16 -6.978 -16.979 -7.393
126 HH21 ARG 16 HH21 ARG 16 -10.431 -16.754 -7.603
127 HH22 ARG 16 HH22 ARG 16 -8.924 -15.973 -7.945
128 H ARG 17 H ARG 17 -6.014 -21.605 -4.081
129 HA ARG 17 HA ARG 17 -5.659 -24.343 -3.289
130 HB2 ARG 17 HB2 ARG 17 -4.076 -21.878 -3.668
131 HB3 ARG 17 HB3 ARG 17 -3.373 -23.037 -2.538
132 HG2 ARG 17 HG2 ARG 17 -4.221 -24.655 -4.613
133 HG3 ARG 17 HG3 ARG 17 -3.651 -23.211 -5.453
134 HD2 ARG 17 HD2 ARG 17 -1.463 -23.543 -4.816
135 HD3 ARG 17 HD3 ARG 17 -1.920 -24.247 -3.253
136 HE ARG 17 HE ARG 17 -2.263 -26.365 -4.337
137 HH11 ARG 17 HH11 ARG 17 -3.085 -24.485 -6.851
138 HH12 ARG 17 HH12 ARG 17 -2.056 -25.220 -8.036
139 HH21 ARG 17 HH21 ARG 17 -0.229 -27.032 -5.714
140 HH22 ARG 17 HH22 ARG 17 -0.440 -26.661 -7.392
141 H GLU 18 H GLU 18 -5.540 -21.302 -1.431
142 HA GLU 18 HA GLU 18 -5.139 -22.693 1.114
143 HB2 GLU 18 HB2 GLU 18 -5.020 -20.042 -0.010
144 HB3 GLU 18 HB3 GLU 18 -5.989 -20.010 1.462
145 HG2 GLU 18 HG2 GLU 18 -3.155 -21.024 1.146
146 HG3 GLU 18 HG3 GLU 18 -3.703 -19.667 2.130
147 H ASN 19 H ASN 19 -7.834 -21.958 -0.846
148 HA ASN 19 HA ASN 19 -10.156 -22.176 -0.481
149 HB2 ASN 19 HB2 ASN 19 -9.370 -24.335 0.420
150 HB3 ASN 19 HB3 ASN 19 -9.094 -23.584 1.991
151 HD21 ASN 19 HD21 ASN 19 -10.722 -24.878 3.081
152 HD22 ASN 19 HD22 ASN 19 -12.380 -24.664 2.783
153 H ARG 20 H ARG 20 -9.097 -19.695 0.266
154 HA ARG 20 HA ARG 20 -11.091 -18.725 2.109
155 HB2 ARG 20 HB2 ARG 20 -9.418 -18.092 3.902
156 HB3 ARG 20 HB3 ARG 20 -9.702 -19.823 3.750
157 HG2 ARG 20 HG2 ARG 20 -7.462 -20.041 3.538
158 HG3 ARG 20 HG3 ARG 20 -7.655 -19.336 1.933
159 HD2 ARG 20 HD2 ARG 20 -6.459 -17.535 2.599
160 HD3 ARG 20 HD3 ARG 20 -7.676 -17.199 3.846
161 HE ARG 20 HE ARG 20 -5.118 -18.315 4.384
162 HH11 ARG 20 HH11 ARG 20 -8.237 -17.958 5.599
163 HH12 ARG 20 HH12 ARG 20 -8.075 -19.156 6.840
164 HH21 ARG 20 HH21 ARG 20 -4.989 -20.276 5.726
165 HH22 ARG 20 HH22 ARG 20 -6.238 -20.469 6.911
166 HA PRO 21 HA PRO 21 -9.656 -14.991 0.309
167 HB2 PRO 21 HB2 PRO 21 -10.463 -13.147 2.161
168 HB3 PRO 21 HB3 PRO 21 -11.585 -14.040 1.120
169 HG2 PRO 21 HG2 PRO 21 -11.074 -14.329 3.985
170 HG3 PRO 21 HG3 PRO 21 -12.464 -14.847 3.025
171 HD2 PRO 21 HD2 PRO 21 -10.288 -16.444 3.977
172 HD3 PRO 21 HD3 PRO 21 -11.681 -16.963 3.005
173 H TYR 22 H TYR 22 -8.237 -13.050 0.626
174 HA TYR 22 HA TYR 22 -6.498 -12.852 2.945
175 HB2 TYR 22 HB2 TYR 22 -4.482 -13.733 1.833
176 HB3 TYR 22 HB3 TYR 22 -5.733 -14.972 1.900
177 HD1 TYR 22 HD1 TYR 22 -7.405 -14.955 -0.187
178 HD2 TYR 22 HD2 TYR 22 -3.414 -13.365 -0.207
179 HE1 TYR 22 HE1 TYR 22 -7.336 -15.163 -2.656
180 HE2 TYR 22 HE2 TYR 22 -3.345 -13.578 -2.678
181 HH TYR 22 HH TYR 22 -6.187 -14.687 -4.506
182 H TYR 23 H TYR 23 -4.236 -12.038 1.059
183 HA TYR 23 HA TYR 23 -5.476 -9.621 -0.190
184 HB2 TYR 23 HB2 TYR 23 -3.166 -9.748 1.777
185 HB3 TYR 23 HB3 TYR 23 -3.633 -8.297 0.894
186 HD1 TYR 23 HD1 TYR 23 -5.923 -7.309 1.236
187 HD2 TYR 23 HD2 TYR 23 -4.403 -10.491 3.688
188 HE1 TYR 23 HE1 TYR 23 -7.665 -6.833 2.934
189 HE2 TYR 23 HE2 TYR 23 -6.145 -10.015 5.385
190 HH TYR 23 HH TYR 23 -8.814 -8.512 4.907
191 H PHE 24 H PHE 24 -4.637 -9.299 -2.220
192 HA PHE 24 HA PHE 24 -1.972 -10.527 -2.851
193 HB2 PHE 24 HB2 PHE 24 -3.703 -11.911 -3.791
194 HB3 PHE 24 HB3 PHE 24 -4.583 -10.504 -4.390
195 HD1 PHE 24 HD1 PHE 24 -1.494 -12.523 -4.800
196 HD2 PHE 24 HD2 PHE 24 -3.989 -9.442 -6.453
197 HE1 PHE 24 HE1 PHE 24 -0.211 -12.623 -6.920
198 HE2 PHE 24 HE2 PHE 24 -2.706 -9.542 -8.574
199 HZ PHE 24 HZ PHE 24 -0.817 -11.132 -8.807
200 H ASN 25 H ASN 25 -0.652 -8.741 -3.126
201 HA ASN 25 HA ASN 25 -1.686 -6.189 -4.092
202 HB2 ASN 25 HB2 ASN 25 0.368 -6.957 -2.524
203 HB3 ASN 25 HB3 ASN 25 1.227 -6.805 -4.057
204 HD21 ASN 25 HD21 ASN 25 2.084 -4.743 -4.317
205 HD22 ASN 25 HD22 ASN 25 1.366 -3.308 -3.761
206 H ARG 26 H ARG 26 -2.245 -6.049 -6.238
207 HA ARG 26 HA ARG 26 -1.116 -7.675 -8.335
208 HB2 ARG 26 HB2 ARG 26 -2.503 -6.293 -9.739
209 HB3 ARG 26 HB3 ARG 26 -3.366 -6.475 -8.212
210 HG2 ARG 26 HG2 ARG 26 -2.351 -4.299 -7.459
211 HG3 ARG 26 HG3 ARG 26 -1.696 -4.102 -9.084
212 HD2 ARG 26 HD2 ARG 26 -4.010 -4.233 -10.010
213 HD3 ARG 26 HD3 ARG 26 -4.638 -4.322 -8.352
214 HE ARG 26 HE ARG 26 -2.802 -2.080 -8.855
215 HH11 ARG 26 HH11 ARG 26 -6.031 -3.174 -9.246
216 HH12 ARG 26 HH12 ARG 26 -6.746 -1.656 -8.818
217 HH21 ARG 26 HH21 ARG 26 -3.716 -0.138 -8.082
218 HH22 ARG 26 HH22 ARG 26 -5.434 0.064 -8.159
219 H PHE 27 H PHE 27 0.142 -5.026 -6.634
220 HA PHE 27 HA PHE 27 1.686 -3.873 -8.865
221 HB2 PHE 27 HB2 PHE 27 0.649 -2.888 -6.584
222 HB3 PHE 27 HB3 PHE 27 2.258 -3.300 -5.993
223 HD1 PHE 27 HD1 PHE 27 0.771 -1.808 -9.108
224 HD2 PHE 27 HD2 PHE 27 3.816 -1.582 -6.086
225 HE1 PHE 27 HE1 PHE 27 1.691 0.228 -10.186
226 HE2 PHE 27 HE2 PHE 27 4.735 0.454 -7.164
227 HZ PHE 27 HZ PHE 27 3.672 1.359 -9.214
228 H THR 28 H THR 28 2.369 -5.731 -5.879
229 HA THR 28 HA THR 28 5.097 -6.328 -6.968
230 HB THR 28 HB THR 28 5.622 -6.749 -4.564
231 HG1 THR 28 HG1 THR 28 3.916 -5.993 -3.105
232 HG21 THR 28 HG21 THR 28 4.634 -4.178 -5.645
233 HG22 THR 28 HG22 THR 28 6.191 -4.571 -4.917
234 HG23 THR 28 HG23 THR 28 4.795 -4.248 -3.891
235 H ASN 29 H ASN 29 2.204 -7.688 -7.126
236 HA ASN 29 HA ASN 29 1.431 -9.911 -7.322
237 HB2 ASN 29 HB2 ASN 29 3.458 -9.927 -8.770
238 HB3 ASN 29 HB3 ASN 29 4.426 -10.401 -7.374
239 HD21 ASN 29 HD21 ASN 29 4.931 -12.580 -7.766
240 HD22 ASN 29 HD22 ASN 29 3.787 -13.777 -8.138
241 H GLN 30 H GLN 30 2.548 -8.713 -4.589
242 HA GLN 30 HA GLN 30 3.400 -10.970 -3.023
243 HB2 GLN 30 HB2 GLN 30 2.951 -8.180 -2.765
244 HB3 GLN 30 HB3 GLN 30 1.994 -8.961 -1.506
245 HG2 GLN 30 HG2 GLN 30 4.027 -10.283 -0.864
246 HG3 GLN 30 HG3 GLN 30 4.951 -9.331 -2.024
247 HE21 GLN 30 HE21 GLN 30 6.245 -8.422 -0.226
248 HE22 GLN 30 HE22 GLN 30 5.588 -7.221 0.779
249 H SER 31 H SER 31 2.133 -12.084 -1.387
250 HA SER 31 HA SER 31 -0.830 -11.971 -1.701
251 HB2 SER 31 HB2 SER 31 -0.897 -14.379 -2.063
252 HB3 SER 31 HB3 SER 31 0.212 -13.681 -3.239
253 HG SER 31 HG SER 31 1.919 -14.241 -1.801
254 H LEU 32 H LEU 32 -0.871 -11.090 0.454
255 HA LEU 32 HA LEU 32 0.423 -12.562 2.656
256 HB2 LEU 32 HB2 LEU 32 -1.442 -10.166 2.603
257 HB3 LEU 32 HB3 LEU 32 -0.438 -10.668 3.962
258 HG LEU 32 HG LEU 32 0.507 -9.671 1.263
259 HD11 LEU 32 HD11 LEU 32 -0.070 -7.849 2.702
260 HD12 LEU 32 HD12 LEU 32 1.683 -8.011 2.807
261 HD13 LEU 32 HD13 LEU 32 0.661 -8.634 4.102
262 HD21 LEU 32 HD21 LEU 32 2.797 -9.978 2.279
263 HD22 LEU 32 HD22 LEU 32 1.961 -11.490 1.927
264 HD23 LEU 32 HD23 LEU 32 2.033 -10.887 3.583
265 H TRP 33 H TRP 33 -1.396 -12.291 4.663
266 HA TRP 33 HA TRP 33 -3.860 -13.759 3.811
267 HB2 TRP 33 HB2 TRP 33 -1.895 -14.452 6.019
268 HB3 TRP 33 HB3 TRP 33 -3.419 -15.289 5.744
269 HD1 TRP 33 HD1 TRP 33 0.082 -15.499 4.897
270 HE1 TRP 33 HE1 TRP 33 0.482 -17.025 2.853
271 HE3 TRP 33 HE3 TRP 33 -4.693 -15.875 3.154
272 HZ2 TRP 33 HZ2 TRP 33 -1.041 -18.242 0.753
273 HZ3 TRP 33 HZ3 TRP 33 -5.196 -17.219 1.133
274 HH2 TRP 33 HH2 TRP 33 -3.378 -18.402 -0.069
275 H GLU 34 H GLU 34 -2.625 -11.092 5.239
276 HA GLU 34 HA GLU 34 -5.063 -10.639 6.861
277 HB2 GLU 34 HB2 GLU 34 -2.696 -11.567 7.996
278 HB3 GLU 34 HB3 GLU 34 -2.602 -9.822 8.238
279 HG2 GLU 34 HG2 GLU 34 -4.987 -11.539 8.986
280 HG3 GLU 34 HG3 GLU 34 -3.758 -10.978 10.120
281 H MET 35 H MET 35 -5.596 -8.420 6.852
282 HA MET 35 HA MET 35 -4.868 -6.680 4.877
283 HB2 MET 35 HB2 MET 35 -6.158 -6.597 7.405
284 HB3 MET 35 HB3 MET 35 -5.106 -5.182 7.315
285 HG2 MET 35 HG2 MET 35 -6.502 -5.681 4.804
286 HG3 MET 35 HG3 MET 35 -7.619 -5.424 6.142
287 HE1 MET 35 HE1 MET 35 -5.852 -3.637 8.085
288 HE2 MET 35 HE2 MET 35 -7.580 -3.484 7.742
289 HE3 MET 35 HE3 MET 35 -6.532 -2.071 7.652
290 HA PRO 36 HA PRO 36 -0.595 -5.863 5.761
291 HB2 PRO 36 HB2 PRO 36 -0.145 -4.260 3.596
292 HB3 PRO 36 HB3 PRO 36 -0.272 -6.026 3.478
293 HG2 PRO 36 HG2 PRO 36 -2.224 -3.942 2.728
294 HG3 PRO 36 HG3 PRO 36 -1.966 -5.552 2.045
295 HD2 PRO 36 HD2 PRO 36 -4.000 -4.815 3.819
296 HD3 PRO 36 HD3 PRO 36 -3.521 -6.474 3.406
297 H VAL 37 H VAL 37 0.709 -3.532 5.404
298 HA VAL 37 HA VAL 37 -0.981 -1.405 6.673
299 HB VAL 37 HB VAL 37 1.845 -2.231 7.413
300 HG11 VAL 37 HG11 VAL 37 1.174 -0.811 9.477
301 HG12 VAL 37 HG12 VAL 37 -0.097 -0.165 8.440
302 HG13 VAL 37 HG13 VAL 37 1.597 0.044 7.993
303 HG21 VAL 37 HG21 VAL 37 0.906 -3.848 8.667
304 HG22 VAL 37 HG22 VAL 37 -0.699 -3.377 8.107
305 HG23 VAL 37 HG23 VAL 37 -0.005 -2.615 9.539
306 H LEU 38 H LEU 38 0.258 0.771 6.565
307 HA LEU 38 HA LEU 38 2.275 1.041 4.452
308 HB2 LEU 38 HB2 LEU 38 -0.455 0.931 3.783
309 HB3 LEU 38 HB3 LEU 38 -0.035 2.642 3.712
310 HG LEU 38 HG LEU 38 2.035 0.960 2.527
311 HD11 LEU 38 HD11 LEU 38 -0.761 0.895 1.349
312 HD12 LEU 38 HD12 LEU 38 0.156 -0.490 1.943
313 HD13 LEU 38 HD13 LEU 38 0.697 0.374 0.504
314 HD21 LEU 38 HD21 LEU 38 0.510 3.452 1.990
315 HD22 LEU 38 HD22 LEU 38 1.133 2.612 0.570
316 HD23 LEU 38 HD23 LEU 38 2.239 3.137 1.840
317 H GLY 39 H GLY 39 1.870 3.743 3.855
318 HA2 GLY 39 HA2 GLY 39 1.532 5.902 4.972
319 HA3 GLY 39 HA3 GLY 39 1.784 5.088 6.518
320 H GLN 40 H GLN 40 3.813 4.435 3.736
321 HA GLN 40 HA GLN 40 6.265 4.799 5.101
322 HB2 GLN 40 HB2 GLN 40 5.441 4.936 2.189
323 HB3 GLN 40 HB3 GLN 40 7.129 4.963 2.699
324 HG2 GLN 40 HG2 GLN 40 6.600 2.823 4.016
325 HG3 GLN 40 HG3 GLN 40 5.104 2.756 3.085
326 HE21 GLN 40 HE21 GLN 40 6.204 3.815 0.598
327 HE22 GLN 40 HE22 GLN 40 7.249 2.636 -0.033
328 H HIS 41 H HIS 41 7.629 6.585 5.356
329 HA HIS 41 HA HIS 41 6.574 9.208 5.465
330 HB2 HIS 41 HB2 HIS 41 9.064 9.793 5.513
331 HB3 HIS 41 HB3 HIS 41 8.543 8.583 6.686
332 HD1 HIS 41 HD1 HIS 41 10.449 6.962 6.821
333 HD2 HIS 41 HD2 HIS 41 9.531 7.949 2.876
334 HE1 HIS 41 HE1 HIS 41 11.900 5.490 5.358
335 H ASP 42 H ASP 42 7.873 11.039 4.128
336 HA ASP 42 HA ASP 42 8.343 10.369 1.307
337 HB2 ASP 42 HB2 ASP 42 5.733 10.995 2.302
338 HB3 ASP 42 HB3 ASP 42 6.271 12.339 1.296
339 H VAL 43 H VAL 43 7.851 12.971 0.299
340 HA VAL 43 HA VAL 43 10.171 14.400 1.377
341 HB VAL 43 HB VAL 43 9.600 15.929 -0.524
342 HG11 VAL 43 HG11 VAL 43 9.316 13.451 -1.967
343 HG12 VAL 43 HG12 VAL 43 10.418 13.220 -0.610
344 HG13 VAL 43 HG13 VAL 43 10.742 14.475 -1.806
345 HG21 VAL 43 HG21 VAL 43 7.443 14.016 -1.332
346 HG22 VAL 43 HG22 VAL 43 7.642 15.717 -1.752
347 HG23 VAL 43 HG23 VAL 43 7.054 15.266 -0.151
348 H ILE 44 H ILE 44 10.049 16.609 2.191
349 HA ILE 44 HA ILE 44 8.021 17.107 4.121
350 HB ILE 44 HB ILE 44 9.102 19.335 4.207
351 HG12 ILE 44 HG12 ILE 44 11.150 19.261 2.382
352 HG13 ILE 44 HG13 ILE 44 9.830 18.544 1.457
353 HG21 ILE 44 HG21 ILE 44 11.546 17.895 3.756
354 HG22 ILE 44 HG22 ILE 44 10.364 16.801 4.476
355 HG23 ILE 44 HG23 ILE 44 10.784 18.307 5.292
356 HD11 ILE 44 HD11 ILE 44 10.225 21.315 2.236
357 HD12 ILE 44 HD12 ILE 44 8.665 20.713 2.795
358 HD13 ILE 44 HD13 ILE 44 9.077 20.635 1.082
359 H SER 45 H SER 45 6.156 18.418 4.047
360 HA SER 45 HA SER 45 5.250 19.216 1.303
361 HB2 SER 45 HB2 SER 45 2.974 19.057 2.539
362 HB3 SER 45 HB3 SER 45 3.824 17.552 2.199
363 HG SER 45 HG SER 45 4.140 17.278 4.267
364 H ASP 46 H ASP 46 6.842 20.745 3.511
365 HA ASP 46 HA ASP 46 6.914 22.981 4.274
366 HB2 ASP 46 HB2 ASP 46 5.960 22.936 1.725
367 HB3 ASP 46 HB3 ASP 46 4.612 23.720 2.552
368 HA PRO 47 HA PRO 47 3.201 22.157 6.897
369 HB2 PRO 47 HB2 PRO 47 4.558 22.185 9.273
370 HB3 PRO 47 HB3 PRO 47 4.382 20.726 8.279
371 HG2 PRO 47 HG2 PRO 47 6.702 22.565 8.548
372 HG3 PRO 47 HG3 PRO 47 6.671 20.804 8.365
373 HD2 PRO 47 HD2 PRO 47 7.234 22.542 6.326
374 HD3 PRO 47 HD3 PRO 47 6.559 20.915 6.087
Start of MODEL 8
1 H LEU 1 H LEU 1 -10.007 -1.314 4.699
2 HA LEU 1 HA LEU 1 -7.901 -1.785 3.281
3 HB2 LEU 1 HB2 LEU 1 -10.197 -3.213 1.983
4 HB3 LEU 1 HB3 LEU 1 -8.964 -2.490 0.949
5 HG LEU 1 HG LEU 1 -8.493 -4.506 3.164
6 HD11 LEU 1 HD11 LEU 1 -9.081 -4.742 0.356
7 HD12 LEU 1 HD12 LEU 1 -8.791 -6.025 1.531
8 HD13 LEU 1 HD13 LEU 1 -7.438 -5.308 0.656
9 HD21 LEU 1 HD21 LEU 1 -6.199 -4.155 1.547
10 HD22 LEU 1 HD22 LEU 1 -6.391 -3.695 3.239
11 HD23 LEU 1 HD23 LEU 1 -6.755 -2.533 1.962
12 HA PRO 2 HA PRO 2 -10.308 2.092 2.491
13 HB2 PRO 2 HB2 PRO 2 -8.454 3.777 3.595
14 HB3 PRO 2 HB3 PRO 2 -9.733 2.991 4.543
15 HG2 PRO 2 HG2 PRO 2 -6.859 2.273 4.280
16 HG3 PRO 2 HG3 PRO 2 -7.914 2.206 5.699
17 HD2 PRO 2 HD2 PRO 2 -7.229 0.018 4.213
18 HD3 PRO 2 HD3 PRO 2 -8.729 0.141 5.157
19 H GLU 3 H GLU 3 -9.453 4.059 1.219
20 HA GLU 3 HA GLU 3 -8.191 3.340 -1.171
21 HB2 GLU 3 HB2 GLU 3 -9.465 5.448 -0.534
22 HB3 GLU 3 HB3 GLU 3 -7.976 6.029 0.212
23 HG2 GLU 3 HG2 GLU 3 -7.270 6.744 -1.799
24 HG3 GLU 3 HG3 GLU 3 -7.291 5.076 -2.378
25 H GLU 4 H GLU 4 -6.730 3.936 1.932
26 HA GLU 4 HA GLU 4 -4.108 4.721 1.199
27 HB2 GLU 4 HB2 GLU 4 -5.569 3.820 3.478
28 HB3 GLU 4 HB3 GLU 4 -4.071 2.891 3.405
29 HG2 GLU 4 HG2 GLU 4 -2.780 4.988 3.209
30 HG3 GLU 4 HG3 GLU 4 -4.278 5.915 3.296
31 H LEU 5 H LEU 5 -5.305 1.410 1.826
32 HA LEU 5 HA LEU 5 -2.874 0.147 0.884
33 HB2 LEU 5 HB2 LEU 5 -5.696 -0.782 1.467
34 HB3 LEU 5 HB3 LEU 5 -4.397 -1.890 1.026
35 HG LEU 5 HG LEU 5 -4.205 0.056 3.336
36 HD11 LEU 5 HD11 LEU 5 -6.032 -1.744 3.526
37 HD12 LEU 5 HD12 LEU 5 -4.828 -1.701 4.814
38 HD13 LEU 5 HD13 LEU 5 -4.714 -2.916 3.540
39 HD21 LEU 5 HD21 LEU 5 -2.049 -0.665 2.488
40 HD22 LEU 5 HD22 LEU 5 -2.582 -2.345 2.444
41 HD23 LEU 5 HD23 LEU 5 -2.361 -1.531 3.993
42 H VAL 6 H VAL 6 -6.076 0.740 -0.544
43 HA VAL 6 HA VAL 6 -5.855 -0.702 -2.943
44 HB VAL 6 HB VAL 6 -7.051 2.022 -2.347
45 HG11 VAL 6 HG11 VAL 6 -6.641 1.315 -4.833
46 HG12 VAL 6 HG12 VAL 6 -8.235 1.912 -4.368
47 HG13 VAL 6 HG13 VAL 6 -7.961 0.180 -4.546
48 HG21 VAL 6 HG21 VAL 6 -7.753 -0.707 -1.662
49 HG22 VAL 6 HG22 VAL 6 -9.020 0.029 -2.644
50 HG23 VAL 6 HG23 VAL 6 -8.512 0.798 -1.140
51 H HIS 7 H HIS 7 -4.566 2.504 -2.142
52 HA HIS 7 HA HIS 7 -3.565 3.166 -4.747
53 HB2 HIS 7 HB2 HIS 7 -3.668 4.220 -2.109
54 HB3 HIS 7 HB3 HIS 7 -1.974 4.250 -2.603
55 HD1 HIS 7 HD1 HIS 7 -1.585 6.603 -3.380
56 HD2 HIS 7 HD2 HIS 7 -5.143 5.041 -4.891
57 HE1 HIS 7 HE1 HIS 7 -2.496 8.327 -4.997
58 H ALA 8 H ALA 8 -2.147 1.408 -2.000
59 HA ALA 8 HA ALA 8 0.529 1.230 -3.015
60 HB1 ALA 8 HB1 ALA 8 0.445 0.621 -0.809
61 HB2 ALA 8 HB2 ALA 8 0.190 -0.994 -1.473
62 HB3 ALA 8 HB3 ALA 8 -1.189 -0.025 -0.954
63 H GLY 9 H GLY 9 -2.348 -0.786 -3.486
64 HA2 GLY 9 HA2 GLY 9 -2.427 -1.833 -5.803
65 HA3 GLY 9 HA3 GLY 9 -0.785 -2.382 -5.475
66 H TRP 10 H TRP 10 -2.932 -2.412 -2.774
67 HA TRP 10 HA TRP 10 -2.822 -5.366 -2.733
68 HB2 TRP 10 HB2 TRP 10 -3.688 -3.167 -0.844
69 HB3 TRP 10 HB3 TRP 10 -3.938 -4.870 -0.460
70 HD1 TRP 10 HD1 TRP 10 -1.327 -2.190 -0.535
71 HE1 TRP 10 HE1 TRP 10 0.937 -3.150 0.242
72 HE3 TRP 10 HE3 TRP 10 -2.440 -7.178 -0.509
73 HZ2 TRP 10 HZ2 TRP 10 2.119 -5.693 0.798
74 HZ3 TRP 10 HZ3 TRP 10 -0.726 -8.843 0.147
75 HH2 TRP 10 HH2 TRP 10 1.549 -8.108 0.801
76 H GLU 11 H GLU 11 -4.717 -6.685 -2.682
77 HA GLU 11 HA GLU 11 -7.341 -5.364 -3.167
78 HB2 GLU 11 HB2 GLU 11 -6.210 -7.535 -4.952
79 HB3 GLU 11 HB3 GLU 11 -7.657 -6.565 -5.229
80 HG2 GLU 11 HG2 GLU 11 -6.042 -4.531 -5.133
81 HG3 GLU 11 HG3 GLU 11 -4.770 -5.723 -5.396
82 H LYS 12 H LYS 12 -8.816 -6.382 -1.872
83 HA LYS 12 HA LYS 12 -8.190 -8.833 -0.452
84 HB2 LYS 12 HB2 LYS 12 -9.734 -6.724 0.044
85 HB3 LYS 12 HB3 LYS 12 -10.961 -7.724 -0.733
86 HG2 LYS 12 HG2 LYS 12 -10.151 -9.600 0.859
87 HG3 LYS 12 HG3 LYS 12 -9.385 -8.299 1.772
88 HD2 LYS 12 HD2 LYS 12 -11.476 -7.221 2.182
89 HD3 LYS 12 HD3 LYS 12 -12.306 -8.226 0.993
90 HE2 LYS 12 HE2 LYS 12 -12.211 -10.150 2.381
91 HE3 LYS 12 HE3 LYS 12 -10.964 -9.436 3.423
92 HZ1 LYS 12 HZ1 LYS 12 -12.586 -7.652 3.951
93 HZ2 LYS 12 HZ2 LYS 12 -13.057 -9.180 4.517
94 HZ3 LYS 12 HZ3 LYS 12 -13.779 -8.533 3.120
95 H CYS 13 H CYS 13 -8.516 -10.896 -1.204
96 HA CYS 13 HA CYS 13 -10.719 -11.404 -3.142
97 HB2 CYS 13 HB2 CYS 13 -7.756 -11.845 -3.563
98 HB3 CYS 13 HB3 CYS 13 -8.971 -12.700 -4.514
99 HG CYS 13 HG CYS 13 -9.882 -10.130 -5.052
100 H TRP 14 H TRP 14 -10.549 -13.958 -3.659
101 HA TRP 14 HA TRP 14 -10.152 -15.343 -1.022
102 HB2 TRP 14 HB2 TRP 14 -12.482 -15.187 -1.540
103 HB3 TRP 14 HB3 TRP 14 -12.205 -15.600 -3.232
104 HD1 TRP 14 HD1 TRP 14 -11.608 -18.148 -3.801
105 HE1 TRP 14 HE1 TRP 14 -12.093 -20.333 -2.524
106 HE3 TRP 14 HE3 TRP 14 -12.735 -16.247 0.803
107 HZ2 TRP 14 HZ2 TRP 14 -12.858 -21.166 0.104
108 HZ3 TRP 14 HZ3 TRP 14 -13.339 -17.758 2.673
109 HH2 TRP 14 HH2 TRP 14 -13.401 -20.212 2.329
110 H SER 15 H SER 15 -8.218 -16.465 -1.294
111 HA SER 15 HA SER 15 -7.316 -17.511 -3.845
112 HB2 SER 15 HB2 SER 15 -6.235 -16.884 -1.390
113 HB3 SER 15 HB3 SER 15 -6.222 -18.645 -1.351
114 HG SER 15 HG SER 15 -5.382 -18.194 -3.685
115 H ARG 16 H ARG 16 -8.328 -19.260 -4.771
116 HA ARG 16 HA ARG 16 -10.019 -21.108 -3.385
117 HB2 ARG 16 HB2 ARG 16 -8.710 -20.835 -6.055
118 HB3 ARG 16 HB3 ARG 16 -9.373 -22.416 -5.637
119 HG2 ARG 16 HG2 ARG 16 -11.349 -20.623 -4.825
120 HG3 ARG 16 HG3 ARG 16 -10.773 -19.960 -6.356
121 HD2 ARG 16 HD2 ARG 16 -11.066 -22.225 -7.397
122 HD3 ARG 16 HD3 ARG 16 -11.791 -22.782 -5.876
123 HE ARG 16 HE ARG 16 -13.749 -21.695 -6.608
124 HH11 ARG 16 HH11 ARG 16 -11.871 -20.945 -9.101
125 HH12 ARG 16 HH12 ARG 16 -12.322 -19.280 -9.261
126 HH21 ARG 16 HH21 ARG 16 -13.938 -19.148 -6.197
127 HH22 ARG 16 HH22 ARG 16 -13.492 -18.263 -7.616
128 H ARG 17 H ARG 17 -6.613 -21.364 -4.446
129 HA ARG 17 HA ARG 17 -6.103 -24.043 -3.740
130 HB2 ARG 17 HB2 ARG 17 -4.620 -21.520 -4.117
131 HB3 ARG 17 HB3 ARG 17 -3.782 -22.713 -3.123
132 HG2 ARG 17 HG2 ARG 17 -3.492 -24.157 -4.866
133 HG3 ARG 17 HG3 ARG 17 -5.059 -23.773 -5.576
134 HD2 ARG 17 HD2 ARG 17 -4.002 -21.473 -6.172
135 HD3 ARG 17 HD3 ARG 17 -2.451 -22.281 -5.873
136 HE ARG 17 HE ARG 17 -3.628 -24.103 -7.476
137 HH11 ARG 17 HH11 ARG 17 -2.624 -20.877 -7.797
138 HH12 ARG 17 HH12 ARG 17 -3.110 -20.724 -9.453
139 HH21 ARG 17 HH21 ARG 17 -4.649 -23.830 -9.564
140 HH22 ARG 17 HH22 ARG 17 -4.257 -22.396 -10.453
141 H GLU 18 H GLU 18 -5.733 -21.136 -1.705
142 HA GLU 18 HA GLU 18 -5.140 -22.707 0.693
143 HB2 GLU 18 HB2 GLU 18 -5.028 -19.997 -0.271
144 HB3 GLU 18 HB3 GLU 18 -5.851 -20.026 1.287
145 HG2 GLU 18 HG2 GLU 18 -3.102 -21.115 0.640
146 HG3 GLU 18 HG3 GLU 18 -3.500 -19.800 1.746
147 H ASN 19 H ASN 19 -7.980 -21.776 -0.938
148 HA ASN 19 HA ASN 19 -10.261 -21.957 -0.364
149 HB2 ASN 19 HB2 ASN 19 -9.406 -24.168 0.384
150 HB3 ASN 19 HB3 ASN 19 -9.048 -23.477 1.965
151 HD21 ASN 19 HD21 ASN 19 -11.623 -24.650 -0.110
152 HD22 ASN 19 HD22 ASN 19 -12.874 -24.486 1.026
153 H ARG 20 H ARG 20 -9.176 -19.514 0.323
154 HA ARG 20 HA ARG 20 -10.913 -18.599 2.418
155 HB2 ARG 20 HB2 ARG 20 -9.125 -18.094 4.088
156 HB3 ARG 20 HB3 ARG 20 -9.335 -19.821 3.822
157 HG2 ARG 20 HG2 ARG 20 -7.441 -19.814 2.243
158 HG3 ARG 20 HG3 ARG 20 -7.228 -18.082 2.511
159 HD2 ARG 20 HD2 ARG 20 -7.158 -18.883 5.074
160 HD3 ARG 20 HD3 ARG 20 -6.560 -20.364 4.305
161 HE ARG 20 HE ARG 20 -4.933 -18.792 3.066
162 HH11 ARG 20 HH11 ARG 20 -6.534 -16.845 5.167
163 HH12 ARG 20 HH12 ARG 20 -5.158 -16.362 6.102
164 HH21 ARG 20 HH21 ARG 20 -3.041 -18.719 4.692
165 HH22 ARG 20 HH22 ARG 20 -3.181 -17.422 5.832
166 HA PRO 21 HA PRO 21 -9.558 -14.818 0.643
167 HB2 PRO 21 HB2 PRO 21 -10.111 -13.038 2.645
168 HB3 PRO 21 HB3 PRO 21 -11.361 -13.854 1.690
169 HG2 PRO 21 HG2 PRO 21 -10.587 -14.271 4.474
170 HG3 PRO 21 HG3 PRO 21 -12.063 -14.748 3.627
171 HD2 PRO 21 HD2 PRO 21 -9.792 -16.376 4.299
172 HD3 PRO 21 HD3 PRO 21 -11.300 -16.869 3.501
173 H TYR 22 H TYR 22 -8.040 -12.962 0.845
174 HA TYR 22 HA TYR 22 -6.063 -12.893 2.983
175 HB2 TYR 22 HB2 TYR 22 -4.215 -13.807 1.660
176 HB3 TYR 22 HB3 TYR 22 -5.515 -14.994 1.746
177 HD1 TYR 22 HD1 TYR 22 -7.337 -14.774 -0.183
178 HD2 TYR 22 HD2 TYR 22 -3.299 -13.333 -0.437
179 HE1 TYR 22 HE1 TYR 22 -7.478 -14.822 -2.659
180 HE2 TYR 22 HE2 TYR 22 -3.439 -13.382 -2.913
181 HH TYR 22 HH TYR 22 -5.684 -13.233 -4.631
182 H TYR 23 H TYR 23 -3.976 -12.038 0.963
183 HA TYR 23 HA TYR 23 -5.261 -9.593 -0.167
184 HB2 TYR 23 HB2 TYR 23 -2.969 -9.773 1.806
185 HB3 TYR 23 HB3 TYR 23 -3.291 -8.322 0.858
186 HD1 TYR 23 HD1 TYR 23 -4.618 -10.582 3.473
187 HD2 TYR 23 HD2 TYR 23 -5.213 -6.920 1.306
188 HE1 TYR 23 HE1 TYR 23 -6.372 -9.908 5.090
189 HE2 TYR 23 HE2 TYR 23 -6.964 -6.247 2.924
190 HH TYR 23 HH TYR 23 -8.613 -7.801 4.601
191 H PHE 24 H PHE 24 -4.551 -9.350 -2.248
192 HA PHE 24 HA PHE 24 -1.906 -10.567 -2.978
193 HB2 PHE 24 HB2 PHE 24 -3.723 -11.795 -3.969
194 HB3 PHE 24 HB3 PHE 24 -4.536 -10.308 -4.461
195 HD1 PHE 24 HD1 PHE 24 -1.150 -11.900 -4.828
196 HD2 PHE 24 HD2 PHE 24 -4.335 -9.705 -6.696
197 HE1 PHE 24 HE1 PHE 24 0.091 -11.926 -6.975
198 HE2 PHE 24 HE2 PHE 24 -3.093 -9.732 -8.843
199 HZ PHE 24 HZ PHE 24 -0.880 -10.842 -8.982
200 H ASN 25 H ASN 25 -0.501 -8.840 -3.151
201 HA ASN 25 HA ASN 25 -1.403 -6.182 -3.949
202 HB2 ASN 25 HB2 ASN 25 0.645 -7.197 -2.478
203 HB3 ASN 25 HB3 ASN 25 1.473 -6.906 -4.008
204 HD21 ASN 25 HD21 ASN 25 2.430 -4.872 -3.997
205 HD22 ASN 25 HD22 ASN 25 1.753 -3.477 -3.305
206 H ARG 26 H ARG 26 -2.152 -6.211 -6.099
207 HA ARG 26 HA ARG 26 -1.017 -7.652 -8.273
208 HB2 ARG 26 HB2 ARG 26 -2.380 -6.164 -9.604
209 HB3 ARG 26 HB3 ARG 26 -3.244 -6.443 -8.091
210 HG2 ARG 26 HG2 ARG 26 -2.261 -4.330 -7.189
211 HG3 ARG 26 HG3 ARG 26 -1.536 -4.032 -8.769
212 HD2 ARG 26 HD2 ARG 26 -3.727 -3.912 -9.820
213 HD3 ARG 26 HD3 ARG 26 -4.518 -4.387 -8.303
214 HE ARG 26 HE ARG 26 -2.778 -2.066 -7.998
215 HH11 ARG 26 HH11 ARG 26 -4.644 -1.193 -10.126
216 HH12 ARG 26 HH12 ARG 26 -5.997 -0.595 -9.225
217 HH21 ARG 26 HH21 ARG 26 -5.065 -2.166 -6.276
218 HH22 ARG 26 HH22 ARG 26 -6.235 -1.145 -7.045
219 H PHE 27 H PHE 27 0.200 -4.947 -6.537
220 HA PHE 27 HA PHE 27 1.734 -3.730 -8.690
221 HB2 PHE 27 HB2 PHE 27 0.862 -2.963 -6.260
222 HB3 PHE 27 HB3 PHE 27 2.493 -3.464 -5.819
223 HD1 PHE 27 HD1 PHE 27 4.462 -2.340 -6.767
224 HD2 PHE 27 HD2 PHE 27 0.477 -1.072 -7.744
225 HE1 PHE 27 HE1 PHE 27 5.364 -0.227 -7.702
226 HE2 PHE 27 HE2 PHE 27 1.377 1.041 -8.678
227 HZ PHE 27 HZ PHE 27 3.821 1.463 -8.657
228 H THR 28 H THR 28 2.845 -5.437 -5.733
229 HA THR 28 HA THR 28 5.316 -6.232 -7.198
230 HB THR 28 HB THR 28 5.424 -5.029 -5.015
231 HG1 THR 28 HG1 THR 28 7.143 -6.153 -4.654
232 HG21 THR 28 HG21 THR 28 4.249 -5.685 -3.192
233 HG22 THR 28 HG22 THR 28 4.615 -7.389 -3.461
234 HG23 THR 28 HG23 THR 28 3.289 -6.624 -4.336
235 H ASN 29 H ASN 29 2.433 -7.512 -7.163
236 HA ASN 29 HA ASN 29 1.583 -9.706 -7.338
237 HB2 ASN 29 HB2 ASN 29 3.541 -9.828 -8.852
238 HB3 ASN 29 HB3 ASN 29 4.558 -10.286 -7.486
239 HD21 ASN 29 HD21 ASN 29 4.312 -12.449 -6.606
240 HD22 ASN 29 HD22 ASN 29 3.419 -13.646 -7.412
241 H GLN 30 H GLN 30 2.676 -8.542 -4.631
242 HA GLN 30 HA GLN 30 3.619 -10.715 -3.036
243 HB2 GLN 30 HB2 GLN 30 2.900 -7.987 -2.791
244 HB3 GLN 30 HB3 GLN 30 1.956 -8.857 -1.581
245 HG2 GLN 30 HG2 GLN 30 3.939 -9.843 -0.633
246 HG3 GLN 30 HG3 GLN 30 4.932 -9.234 -1.957
247 HE21 GLN 30 HE21 GLN 30 5.263 -8.620 0.935
248 HE22 GLN 30 HE22 GLN 30 5.096 -6.937 1.081
249 H SER 31 H SER 31 2.405 -11.966 -1.456
250 HA SER 31 HA SER 31 -0.542 -12.128 -1.863
251 HB2 SER 31 HB2 SER 31 0.227 -14.773 -1.764
252 HB3 SER 31 HB3 SER 31 -0.121 -13.892 -3.249
253 HG SER 31 HG SER 31 1.899 -14.682 -3.520
254 H LEU 32 H LEU 32 -0.601 -11.245 0.324
255 HA LEU 32 HA LEU 32 0.672 -12.785 2.501
256 HB2 LEU 32 HB2 LEU 32 -1.123 -10.335 2.456
257 HB3 LEU 32 HB3 LEU 32 -0.212 -10.911 3.852
258 HG LEU 32 HG LEU 32 0.934 -9.921 1.227
259 HD11 LEU 32 HD11 LEU 32 0.206 -8.130 2.725
260 HD12 LEU 32 HD12 LEU 32 1.968 -8.207 2.715
261 HD13 LEU 32 HD13 LEU 32 1.065 -8.877 4.073
262 HD21 LEU 32 HD21 LEU 32 2.235 -11.818 2.080
263 HD22 LEU 32 HD22 LEU 32 2.300 -11.074 3.678
264 HD23 LEU 32 HD23 LEU 32 3.132 -10.318 2.319
265 H TRP 33 H TRP 33 -1.215 -12.477 4.489
266 HA TRP 33 HA TRP 33 -3.651 -13.941 3.553
267 HB2 TRP 33 HB2 TRP 33 -1.766 -14.650 5.825
268 HB3 TRP 33 HB3 TRP 33 -3.274 -15.491 5.477
269 HD1 TRP 33 HD1 TRP 33 0.260 -15.677 4.772
270 HE1 TRP 33 HE1 TRP 33 0.749 -17.167 2.721
271 HE3 TRP 33 HE3 TRP 33 -4.439 -16.045 2.835
272 HZ2 TRP 33 HZ2 TRP 33 -0.681 -18.355 0.541
273 HZ3 TRP 33 HZ3 TRP 33 -4.853 -17.357 0.772
274 HH2 TRP 33 HH2 TRP 33 -2.982 -18.512 -0.375
275 H GLU 34 H GLU 34 -2.466 -11.282 5.054
276 HA GLU 34 HA GLU 34 -4.970 -10.835 6.565
277 HB2 GLU 34 HB2 GLU 34 -2.686 -11.850 7.797
278 HB3 GLU 34 HB3 GLU 34 -2.595 -10.119 8.124
279 HG2 GLU 34 HG2 GLU 34 -5.300 -11.179 8.463
280 HG3 GLU 34 HG3 GLU 34 -4.132 -11.950 9.537
281 H MET 35 H MET 35 -5.401 -8.579 6.762
282 HA MET 35 HA MET 35 -4.599 -6.765 4.871
283 HB2 MET 35 HB2 MET 35 -5.832 -6.763 7.470
284 HB3 MET 35 HB3 MET 35 -4.821 -5.324 7.305
285 HG2 MET 35 HG2 MET 35 -6.182 -5.711 4.835
286 HG3 MET 35 HG3 MET 35 -7.376 -5.839 6.123
287 HE1 MET 35 HE1 MET 35 -7.745 -4.420 7.881
288 HE2 MET 35 HE2 MET 35 -8.677 -3.497 6.694
289 HE3 MET 35 HE3 MET 35 -7.634 -2.662 7.841
290 HA PRO 36 HA PRO 36 -0.307 -6.159 5.844
291 HB2 PRO 36 HB2 PRO 36 0.223 -4.429 3.796
292 HB3 PRO 36 HB3 PRO 36 0.045 -6.178 3.560
293 HG2 PRO 36 HG2 PRO 36 -1.840 -3.990 2.936
294 HG3 PRO 36 HG3 PRO 36 -1.611 -5.551 2.137
295 HD2 PRO 36 HD2 PRO 36 -3.659 -4.907 3.919
296 HD3 PRO 36 HD3 PRO 36 -3.192 -6.545 3.417
297 H VAL 37 H VAL 37 1.035 -3.779 5.536
298 HA VAL 37 HA VAL 37 -0.536 -1.857 7.225
299 HB VAL 37 HB VAL 37 2.446 -2.423 7.194
300 HG11 VAL 37 HG11 VAL 37 2.091 -1.279 9.535
301 HG12 VAL 37 HG12 VAL 37 0.632 -0.630 8.784
302 HG13 VAL 37 HG13 VAL 37 2.214 -0.277 8.089
303 HG21 VAL 37 HG21 VAL 37 0.840 -4.292 7.995
304 HG22 VAL 37 HG22 VAL 37 0.490 -3.223 9.352
305 HG23 VAL 37 HG23 VAL 37 2.133 -3.807 9.090
306 H LEU 38 H LEU 38 0.573 0.427 7.074
307 HA LEU 38 HA LEU 38 1.661 0.970 4.354
308 HB2 LEU 38 HB2 LEU 38 -1.041 1.222 5.062
309 HB3 LEU 38 HB3 LEU 38 -0.409 2.869 5.120
310 HG LEU 38 HG LEU 38 0.159 1.034 2.790
311 HD11 LEU 38 HD11 LEU 38 -2.390 1.815 3.498
312 HD12 LEU 38 HD12 LEU 38 -1.870 1.432 1.855
313 HD13 LEU 38 HD13 LEU 38 -1.891 3.107 2.406
314 HD21 LEU 38 HD21 LEU 38 1.101 3.555 3.558
315 HD22 LEU 38 HD22 LEU 38 -0.115 3.902 2.328
316 HD23 LEU 38 HD23 LEU 38 1.240 2.836 1.953
317 H GLY 39 H GLY 39 2.798 2.999 4.255
318 HA2 GLY 39 HA2 GLY 39 2.829 5.033 6.190
319 HA3 GLY 39 HA3 GLY 39 4.013 3.840 6.727
320 H GLN 40 H GLN 40 3.256 6.203 4.253
321 HA GLN 40 HA GLN 40 5.353 5.693 2.403
322 HB2 GLN 40 HB2 GLN 40 3.861 8.152 3.333
323 HB3 GLN 40 HB3 GLN 40 5.059 8.238 2.041
324 HG2 GLN 40 HG2 GLN 40 3.648 6.130 1.153
325 HG3 GLN 40 HG3 GLN 40 2.372 6.953 2.050
326 HE21 GLN 40 HE21 GLN 40 1.754 7.038 -0.511
327 HE22 GLN 40 HE22 GLN 40 2.192 8.493 -1.270
328 H HIS 41 H HIS 41 7.062 7.768 2.238
329 HA HIS 41 HA HIS 41 9.155 8.484 3.083
330 HB2 HIS 41 HB2 HIS 41 7.081 9.558 4.464
331 HB3 HIS 41 HB3 HIS 41 7.935 8.754 5.782
332 HD1 HIS 41 HD1 HIS 41 10.812 9.164 5.203
333 HD2 HIS 41 HD2 HIS 41 8.013 12.153 4.424
334 HE1 HIS 41 HE1 HIS 41 12.095 11.346 5.132
335 H ASP 42 H ASP 42 8.871 5.650 3.106
336 HA ASP 42 HA ASP 42 9.943 4.799 5.754
337 HB2 ASP 42 HB2 ASP 42 9.481 2.527 4.734
338 HB3 ASP 42 HB3 ASP 42 8.057 3.549 4.904
339 H VAL 43 H VAL 43 11.392 2.563 4.887
340 HA VAL 43 HA VAL 43 13.967 3.563 4.353
341 HB VAL 43 HB VAL 43 14.423 1.172 3.750
342 HG11 VAL 43 HG11 VAL 43 13.937 0.321 5.908
343 HG12 VAL 43 HG12 VAL 43 12.469 1.289 6.049
344 HG13 VAL 43 HG13 VAL 43 14.049 2.065 6.143
345 HG21 VAL 43 HG21 VAL 43 12.076 -0.151 4.223
346 HG22 VAL 43 HG22 VAL 43 12.696 0.210 2.611
347 HG23 VAL 43 HG23 VAL 43 11.495 1.268 3.352
348 H ILE 44 H ILE 44 14.773 4.504 2.520
349 HA ILE 44 HA ILE 44 13.310 4.301 -0.028
350 HB ILE 44 HB ILE 44 14.892 6.049 -0.679
351 HG12 ILE 44 HG12 ILE 44 16.259 5.527 1.977
352 HG13 ILE 44 HG13 ILE 44 16.871 4.954 0.424
353 HG21 ILE 44 HG21 ILE 44 12.989 6.656 0.806
354 HG22 ILE 44 HG22 ILE 44 14.388 7.700 1.054
355 HG23 ILE 44 HG23 ILE 44 14.033 6.412 2.206
356 HD11 ILE 44 HD11 ILE 44 16.242 7.740 0.179
357 HD12 ILE 44 HD12 ILE 44 17.816 6.956 0.037
358 HD13 ILE 44 HD13 ILE 44 17.249 7.515 1.610
359 H SER 45 H SER 45 15.020 4.172 -2.006
360 HA SER 45 HA SER 45 16.928 1.923 -1.494
361 HB2 SER 45 HB2 SER 45 14.558 1.316 -2.370
362 HB3 SER 45 HB3 SER 45 15.088 2.039 -3.886
363 HG SER 45 HG SER 45 15.756 0.012 -4.117
364 H ASP 46 H ASP 46 18.742 3.298 -1.842
365 HA ASP 46 HA ASP 46 19.028 5.263 -3.864
366 HB2 ASP 46 HB2 ASP 46 21.502 4.715 -3.490
367 HB3 ASP 46 HB3 ASP 46 20.575 5.103 -2.041
368 HA PRO 47 HA PRO 47 19.039 2.420 -7.330
369 HB2 PRO 47 HB2 PRO 47 19.125 4.357 -9.262
370 HB3 PRO 47 HB3 PRO 47 17.634 3.909 -8.409
371 HG2 PRO 47 HG2 PRO 47 19.434 6.236 -7.976
372 HG3 PRO 47 HG3 PRO 47 17.669 6.140 -7.887
373 HD2 PRO 47 HD2 PRO 47 19.305 6.162 -5.696
374 HD3 PRO 47 HD3 PRO 47 17.690 5.422 -5.718
Start of MODEL 9
1 H LEU 1 H LEU 1 -10.552 -2.509 2.636
2 HA LEU 1 HA LEU 1 -7.850 -1.587 3.315
3 HB2 LEU 1 HB2 LEU 1 -9.404 -2.370 0.828
4 HB3 LEU 1 HB3 LEU 1 -7.683 -1.981 0.850
5 HG LEU 1 HG LEU 1 -8.701 -4.052 2.758
6 HD11 LEU 1 HD11 LEU 1 -9.685 -4.999 0.862
7 HD12 LEU 1 HD12 LEU 1 -8.065 -5.695 0.807
8 HD13 LEU 1 HD13 LEU 1 -8.471 -4.324 -0.226
9 HD21 LEU 1 HD21 LEU 1 -6.182 -4.047 1.096
10 HD22 LEU 1 HD22 LEU 1 -6.475 -4.842 2.643
11 HD23 LEU 1 HD23 LEU 1 -6.300 -3.088 2.571
12 HA PRO 2 HA PRO 2 -9.644 2.513 2.675
13 HB2 PRO 2 HB2 PRO 2 -7.540 3.853 3.799
14 HB3 PRO 2 HB3 PRO 2 -8.838 3.117 4.757
15 HG2 PRO 2 HG2 PRO 2 -6.089 2.122 4.215
16 HG3 PRO 2 HG3 PRO 2 -7.061 2.010 5.690
17 HD2 PRO 2 HD2 PRO 2 -6.717 -0.055 3.925
18 HD3 PRO 2 HD3 PRO 2 -8.124 0.111 4.997
19 H GLU 3 H GLU 3 -8.686 4.478 1.516
20 HA GLU 3 HA GLU 3 -7.631 3.870 -1.004
21 HB2 GLU 3 HB2 GLU 3 -8.655 6.023 -0.053
22 HB3 GLU 3 HB3 GLU 3 -7.039 6.401 0.546
23 HG2 GLU 3 HG2 GLU 3 -6.684 7.331 -1.488
24 HG3 GLU 3 HG3 GLU 3 -6.557 5.673 -2.077
25 H GLU 4 H GLU 4 -5.934 4.235 2.047
26 HA GLU 4 HA GLU 4 -3.295 4.725 1.137
27 HB2 GLU 4 HB2 GLU 4 -4.694 3.712 3.508
28 HB3 GLU 4 HB3 GLU 4 -3.062 3.066 3.342
29 HG2 GLU 4 HG2 GLU 4 -2.066 5.139 3.563
30 HG3 GLU 4 HG3 GLU 4 -3.457 5.993 2.895
31 H LEU 5 H LEU 5 -4.876 1.591 1.797
32 HA LEU 5 HA LEU 5 -2.633 0.063 0.727
33 HB2 LEU 5 HB2 LEU 5 -5.408 -0.480 1.755
34 HB3 LEU 5 HB3 LEU 5 -4.485 -1.771 0.985
35 HG LEU 5 HG LEU 5 -3.510 -0.104 3.323
36 HD11 LEU 5 HD11 LEU 5 -4.297 -3.025 3.324
37 HD12 LEU 5 HD12 LEU 5 -5.428 -1.743 3.758
38 HD13 LEU 5 HD13 LEU 5 -3.967 -1.991 4.713
39 HD21 LEU 5 HD21 LEU 5 -2.352 -2.375 1.706
40 HD22 LEU 5 HD22 LEU 5 -1.830 -2.086 3.366
41 HD23 LEU 5 HD23 LEU 5 -1.601 -0.840 2.140
42 H VAL 6 H VAL 6 -5.911 0.875 -0.406
43 HA VAL 6 HA VAL 6 -5.993 -0.622 -2.783
44 HB VAL 6 HB VAL 6 -6.988 2.190 -2.215
45 HG11 VAL 6 HG11 VAL 6 -8.561 1.858 -3.989
46 HG12 VAL 6 HG12 VAL 6 -8.122 0.157 -4.149
47 HG13 VAL 6 HG13 VAL 6 -6.985 1.411 -4.644
48 HG21 VAL 6 HG21 VAL 6 -8.844 1.232 -1.190
49 HG22 VAL 6 HG22 VAL 6 -7.586 0.092 -0.710
50 HG23 VAL 6 HG23 VAL 6 -8.661 -0.294 -2.054
51 H HIS 7 H HIS 7 -4.404 2.477 -2.143
52 HA HIS 7 HA HIS 7 -3.675 3.097 -4.848
53 HB2 HIS 7 HB2 HIS 7 -3.445 4.185 -2.274
54 HB3 HIS 7 HB3 HIS 7 -1.779 3.957 -2.806
55 HD1 HIS 7 HD1 HIS 7 -0.875 5.781 -4.241
56 HD2 HIS 7 HD2 HIS 7 -5.036 5.608 -4.429
57 HE1 HIS 7 HE1 HIS 7 -1.607 7.714 -5.705
58 H ALA 8 H ALA 8 -2.025 1.274 -2.266
59 HA ALA 8 HA ALA 8 0.441 0.839 -3.667
60 HB1 ALA 8 HB1 ALA 8 -0.289 -1.338 -1.920
61 HB2 ALA 8 HB2 ALA 8 -0.812 0.187 -1.204
62 HB3 ALA 8 HB3 ALA 8 0.881 -0.050 -1.636
63 H GLY 9 H GLY 9 -2.687 -0.774 -3.769
64 HA2 GLY 9 HA2 GLY 9 -3.220 -1.941 -5.912
65 HA3 GLY 9 HA3 GLY 9 -1.583 -2.597 -5.867
66 H TRP 10 H TRP 10 -3.001 -2.472 -2.777
67 HA TRP 10 HA TRP 10 -3.041 -5.371 -2.571
68 HB2 TRP 10 HB2 TRP 10 -3.783 -3.025 -0.822
69 HB3 TRP 10 HB3 TRP 10 -4.076 -4.680 -0.286
70 HD1 TRP 10 HD1 TRP 10 -1.393 -2.114 -0.629
71 HE1 TRP 10 HE1 TRP 10 0.876 -3.103 0.093
72 HE3 TRP 10 HE3 TRP 10 -2.646 -7.059 -0.308
73 HZ2 TRP 10 HZ2 TRP 10 2.009 -5.652 0.726
74 HZ3 TRP 10 HZ3 TRP 10 -0.953 -8.741 0.357
75 HH2 TRP 10 HH2 TRP 10 1.370 -8.044 0.875
76 H GLU 11 H GLU 11 -4.955 -6.660 -2.078
77 HA GLU 11 HA GLU 11 -7.628 -5.500 -2.440
78 HB2 GLU 11 HB2 GLU 11 -7.990 -7.011 -4.483
79 HB3 GLU 11 HB3 GLU 11 -6.978 -5.590 -4.740
80 HG2 GLU 11 HG2 GLU 11 -5.099 -6.830 -5.077
81 HG3 GLU 11 HG3 GLU 11 -5.524 -7.991 -3.818
82 H LYS 12 H LYS 12 -8.917 -6.696 -1.099
83 HA LYS 12 HA LYS 12 -8.003 -9.243 0.002
84 HB2 LYS 12 HB2 LYS 12 -9.419 -7.261 1.005
85 HB3 LYS 12 HB3 LYS 12 -10.778 -8.113 0.271
86 HG2 LYS 12 HG2 LYS 12 -9.577 -10.202 1.464
87 HG3 LYS 12 HG3 LYS 12 -9.048 -8.921 2.556
88 HD2 LYS 12 HD2 LYS 12 -11.163 -8.527 3.336
89 HD3 LYS 12 HD3 LYS 12 -11.912 -8.862 1.775
90 HE2 LYS 12 HE2 LYS 12 -11.217 -11.338 2.222
91 HE3 LYS 12 HE3 LYS 12 -11.070 -10.816 3.913
92 HZ1 LYS 12 HZ1 LYS 12 -13.301 -11.353 3.758
93 HZ2 LYS 12 HZ2 LYS 12 -13.446 -10.784 2.167
94 HZ3 LYS 12 HZ3 LYS 12 -13.325 -9.682 3.454
95 H CYS 13 H CYS 13 -8.135 -11.031 -1.330
96 HA CYS 13 HA CYS 13 -10.715 -11.454 -2.806
97 HB2 CYS 13 HB2 CYS 13 -7.876 -12.134 -3.639
98 HB3 CYS 13 HB3 CYS 13 -9.326 -12.473 -4.585
99 HG CYS 13 HG CYS 13 -8.051 -9.684 -4.189
100 H TRP 14 H TRP 14 -10.691 -13.945 -3.531
101 HA TRP 14 HA TRP 14 -10.109 -15.536 -1.057
102 HB2 TRP 14 HB2 TRP 14 -12.460 -15.363 -1.597
103 HB3 TRP 14 HB3 TRP 14 -12.153 -15.773 -3.285
104 HD1 TRP 14 HD1 TRP 14 -11.535 -18.303 -3.856
105 HE1 TRP 14 HE1 TRP 14 -11.944 -20.499 -2.567
106 HE3 TRP 14 HE3 TRP 14 -12.625 -16.422 0.763
107 HZ2 TRP 14 HZ2 TRP 14 -12.643 -21.344 0.076
108 HZ3 TRP 14 HZ3 TRP 14 -13.159 -17.942 2.646
109 HH2 TRP 14 HH2 TRP 14 -13.170 -20.398 2.310
110 H SER 15 H SER 15 -8.134 -16.561 -1.439
111 HA SER 15 HA SER 15 -7.235 -17.370 -4.075
112 HB2 SER 15 HB2 SER 15 -5.685 -16.770 -2.307
113 HB3 SER 15 HB3 SER 15 -6.362 -17.995 -1.238
114 HG SER 15 HG SER 15 -4.406 -18.639 -2.320
115 H ARG 16 H ARG 16 -8.225 -19.058 -5.128
116 HA ARG 16 HA ARG 16 -9.839 -21.071 -3.910
117 HB2 ARG 16 HB2 ARG 16 -8.938 -20.238 -6.483
118 HB3 ARG 16 HB3 ARG 16 -8.647 -21.974 -6.360
119 HG2 ARG 16 HG2 ARG 16 -11.282 -20.607 -5.733
120 HG3 ARG 16 HG3 ARG 16 -10.921 -21.472 -7.227
121 HD2 ARG 16 HD2 ARG 16 -10.931 -22.672 -4.433
122 HD3 ARG 16 HD3 ARG 16 -12.117 -22.984 -5.716
123 HE ARG 16 HE ARG 16 -9.670 -23.528 -6.912
124 HH11 ARG 16 HH11 ARG 16 -11.652 -24.701 -4.362
125 HH12 ARG 16 HH12 ARG 16 -10.822 -26.215 -4.227
126 HH21 ARG 16 HH21 ARG 16 -8.449 -25.431 -6.630
127 HH22 ARG 16 HH22 ARG 16 -9.011 -26.629 -5.512
128 H ARG 17 H ARG 17 -6.405 -21.098 -4.891
129 HA ARG 17 HA ARG 17 -5.840 -23.831 -4.392
130 HB2 ARG 17 HB2 ARG 17 -4.509 -21.623 -5.274
131 HB3 ARG 17 HB3 ARG 17 -3.786 -21.821 -3.676
132 HG2 ARG 17 HG2 ARG 17 -2.845 -23.866 -4.199
133 HG3 ARG 17 HG3 ARG 17 -4.094 -24.255 -5.382
134 HD2 ARG 17 HD2 ARG 17 -3.081 -22.251 -6.741
135 HD3 ARG 17 HD3 ARG 17 -1.654 -22.522 -5.721
136 HE ARG 17 HE ARG 17 -2.174 -25.056 -6.485
137 HH11 ARG 17 HH11 ARG 17 -3.866 -24.083 -8.750
138 HH12 ARG 17 HH12 ARG 17 -2.716 -23.952 -10.037
139 HH21 ARG 17 HH21 ARG 17 0.043 -24.042 -7.938
140 HH22 ARG 17 HH22 ARG 17 -0.502 -23.929 -9.578
141 H GLU 18 H GLU 18 -5.534 -21.036 -2.189
142 HA GLU 18 HA GLU 18 -4.843 -22.734 0.096
143 HB2 GLU 18 HB2 GLU 18 -4.850 -19.960 -0.686
144 HB3 GLU 18 HB3 GLU 18 -5.644 -20.128 0.879
145 HG2 GLU 18 HG2 GLU 18 -2.869 -21.062 0.118
146 HG3 GLU 18 HG3 GLU 18 -3.295 -19.840 1.315
147 H ASN 19 H ASN 19 -7.743 -21.795 -1.433
148 HA ASN 19 HA ASN 19 -10.006 -22.105 -0.846
149 HB2 ASN 19 HB2 ASN 19 -9.063 -24.330 -0.273
150 HB3 ASN 19 HB3 ASN 19 -8.699 -23.744 1.348
151 HD21 ASN 19 HD21 ASN 19 -11.284 -24.814 -0.780
152 HD22 ASN 19 HD22 ASN 19 -12.511 -24.798 0.393
153 H ARG 20 H ARG 20 -8.884 -19.700 0.051
154 HA ARG 20 HA ARG 20 -10.663 -18.995 2.221
155 HB2 ARG 20 HB2 ARG 20 -8.798 -18.489 3.846
156 HB3 ARG 20 HB3 ARG 20 -9.023 -20.209 3.533
157 HG2 ARG 20 HG2 ARG 20 -6.802 -20.234 3.070
158 HG3 ARG 20 HG3 ARG 20 -7.258 -19.473 1.545
159 HD2 ARG 20 HD2 ARG 20 -6.124 -17.608 2.141
160 HD3 ARG 20 HD3 ARG 20 -7.144 -17.446 3.586
161 HE ARG 20 HE ARG 20 -4.460 -18.392 3.626
162 HH11 ARG 20 HH11 ARG 20 -6.768 -17.859 5.788
163 HH12 ARG 20 HH12 ARG 20 -6.579 -19.307 6.719
164 HH21 ARG 20 HH21 ARG 20 -4.571 -20.874 4.366
165 HH22 ARG 20 HH22 ARG 20 -5.336 -21.014 5.914
166 HA PRO 21 HA PRO 21 -9.548 -15.053 0.641
167 HB2 PRO 21 HB2 PRO 21 -10.215 -13.435 2.742
168 HB3 PRO 21 HB3 PRO 21 -11.412 -14.274 1.739
169 HG2 PRO 21 HG2 PRO 21 -10.606 -14.802 4.496
170 HG3 PRO 21 HG3 PRO 21 -12.050 -15.321 3.619
171 HD2 PRO 21 HD2 PRO 21 -9.681 -16.840 4.198
172 HD3 PRO 21 HD3 PRO 21 -11.156 -17.376 3.367
173 H TYR 22 H TYR 22 -8.182 -13.071 1.028
174 HA TYR 22 HA TYR 22 -6.241 -12.940 3.153
175 HB2 TYR 22 HB2 TYR 22 -4.313 -13.819 1.934
176 HB3 TYR 22 HB3 TYR 22 -5.577 -15.048 1.964
177 HD1 TYR 22 HD1 TYR 22 -7.320 -14.867 -0.060
178 HD2 TYR 22 HD2 TYR 22 -3.298 -13.354 -0.114
179 HE1 TYR 22 HE1 TYR 22 -7.334 -14.920 -2.539
180 HE2 TYR 22 HE2 TYR 22 -3.314 -13.409 -2.594
181 HH TYR 22 HH TYR 22 -4.514 -13.802 -4.415
182 H TYR 23 H TYR 23 -4.084 -11.943 1.415
183 HA TYR 23 HA TYR 23 -5.430 -9.607 0.111
184 HB2 TYR 23 HB2 TYR 23 -3.092 -9.640 2.050
185 HB3 TYR 23 HB3 TYR 23 -3.659 -8.205 1.194
186 HD1 TYR 23 HD1 TYR 23 -4.704 -10.861 3.595
187 HD2 TYR 23 HD2 TYR 23 -5.547 -6.979 1.960
188 HE1 TYR 23 HE1 TYR 23 -6.457 -10.518 5.313
189 HE2 TYR 23 HE2 TYR 23 -7.300 -6.637 3.678
190 HH TYR 23 HH TYR 23 -7.981 -9.137 6.131
191 H PHE 24 H PHE 24 -4.678 -9.387 -1.960
192 HA PHE 24 HA PHE 24 -1.995 -10.571 -2.600
193 HB2 PHE 24 HB2 PHE 24 -3.823 -11.840 -3.562
194 HB3 PHE 24 HB3 PHE 24 -4.571 -10.369 -4.187
195 HD1 PHE 24 HD1 PHE 24 -1.567 -12.553 -4.460
196 HD2 PHE 24 HD2 PHE 24 -3.886 -9.416 -6.256
197 HE1 PHE 24 HE1 PHE 24 -0.219 -12.744 -6.533
198 HE2 PHE 24 HE2 PHE 24 -2.539 -9.605 -8.329
199 HZ PHE 24 HZ PHE 24 -0.704 -11.269 -8.468
200 H ASN 25 H ASN 25 -0.568 -8.920 -2.957
201 HA ASN 25 HA ASN 25 -1.454 -6.250 -3.762
202 HB2 ASN 25 HB2 ASN 25 0.562 -7.137 -2.280
203 HB3 ASN 25 HB3 ASN 25 1.386 -7.204 -3.833
204 HD21 ASN 25 HD21 ASN 25 -1.028 -4.831 -2.650
205 HD22 ASN 25 HD22 ASN 25 -0.024 -3.478 -2.845
206 H ARG 26 H ARG 26 -2.269 -6.279 -5.886
207 HA ARG 26 HA ARG 26 -1.192 -7.825 -8.048
208 HB2 ARG 26 HB2 ARG 26 -2.683 -6.476 -9.374
209 HB3 ARG 26 HB3 ARG 26 -3.460 -6.682 -7.805
210 HG2 ARG 26 HG2 ARG 26 -2.650 -4.485 -7.083
211 HG3 ARG 26 HG3 ARG 26 -1.794 -4.280 -8.611
212 HD2 ARG 26 HD2 ARG 26 -3.939 -4.366 -9.839
213 HD3 ARG 26 HD3 ARG 26 -4.806 -4.570 -8.303
214 HE ARG 26 HE ARG 26 -2.997 -2.254 -8.393
215 HH11 ARG 26 HH11 ARG 26 -5.474 -2.541 -6.667
216 HH12 ARG 26 HH12 ARG 26 -6.564 -1.446 -7.447
217 HH21 ARG 26 HH21 ARG 26 -4.702 -1.250 -10.366
218 HH22 ARG 26 HH22 ARG 26 -6.128 -0.715 -9.541
219 H PHE 27 H PHE 27 0.065 -5.111 -6.423
220 HA PHE 27 HA PHE 27 1.502 -3.990 -8.743
221 HB2 PHE 27 HB2 PHE 27 0.482 -2.971 -6.452
222 HB3 PHE 27 HB3 PHE 27 2.143 -3.255 -5.933
223 HD1 PHE 27 HD1 PHE 27 3.971 -2.542 -7.786
224 HD2 PHE 27 HD2 PHE 27 0.013 -0.914 -7.425
225 HE1 PHE 27 HE1 PHE 27 4.697 -0.507 -9.003
226 HE2 PHE 27 HE2 PHE 27 0.739 1.121 -8.643
227 HZ PHE 27 HZ PHE 27 3.082 1.324 -9.432
228 H THR 28 H THR 28 2.338 -5.649 -5.675
229 HA THR 28 HA THR 28 5.059 -6.200 -6.801
230 HB THR 28 HB THR 28 5.757 -6.311 -4.506
231 HG1 THR 28 HG1 THR 28 4.327 -7.348 -3.347
232 HG21 THR 28 HG21 THR 28 3.639 -4.154 -4.733
233 HG22 THR 28 HG22 THR 28 5.283 -4.033 -5.363
234 HG23 THR 28 HG23 THR 28 5.011 -4.148 -3.624
235 H ASN 29 H ASN 29 2.269 -7.686 -6.981
236 HA ASN 29 HA ASN 29 1.573 -9.936 -7.105
237 HB2 ASN 29 HB2 ASN 29 3.747 -9.785 -8.443
238 HB3 ASN 29 HB3 ASN 29 4.549 -10.458 -7.028
239 HD21 ASN 29 HD21 ASN 29 3.570 -11.489 -9.921
240 HD22 ASN 29 HD22 ASN 29 2.987 -13.038 -9.545
241 H GLN 30 H GLN 30 2.552 -8.618 -4.394
242 HA GLN 30 HA GLN 30 3.525 -10.719 -2.715
243 HB2 GLN 30 HB2 GLN 30 2.722 -7.996 -2.572
244 HB3 GLN 30 HB3 GLN 30 1.821 -8.860 -1.326
245 HG2 GLN 30 HG2 GLN 30 3.798 -9.655 -0.289
246 HG3 GLN 30 HG3 GLN 30 4.786 -9.263 -1.695
247 HE21 GLN 30 HE21 GLN 30 5.134 -8.278 1.114
248 HE22 GLN 30 HE22 GLN 30 5.046 -6.586 1.021
249 H SER 31 H SER 31 2.291 -11.903 -1.079
250 HA SER 31 HA SER 31 -0.641 -12.145 -1.536
251 HB2 SER 31 HB2 SER 31 -0.330 -14.634 -1.698
252 HB3 SER 31 HB3 SER 31 0.410 -13.761 -3.037
253 HG SER 31 HG SER 31 1.719 -15.425 -1.922
254 H LEU 32 H LEU 32 -0.702 -11.164 0.620
255 HA LEU 32 HA LEU 32 0.544 -12.615 2.868
256 HB2 LEU 32 HB2 LEU 32 -1.256 -10.176 2.666
257 HB3 LEU 32 HB3 LEU 32 -0.425 -10.700 4.130
258 HG LEU 32 HG LEU 32 0.824 -9.740 1.547
259 HD11 LEU 32 HD11 LEU 32 1.526 -8.748 4.278
260 HD12 LEU 32 HD12 LEU 32 -0.021 -8.247 3.594
261 HD13 LEU 32 HD13 LEU 32 1.480 -7.876 2.747
262 HD21 LEU 32 HD21 LEU 32 2.925 -10.138 3.203
263 HD22 LEU 32 HD22 LEU 32 2.381 -11.350 2.043
264 HD23 LEU 32 HD23 LEU 32 1.880 -11.458 3.731
265 H TRP 33 H TRP 33 -1.387 -12.241 4.814
266 HA TRP 33 HA TRP 33 -3.784 -13.778 3.895
267 HB2 TRP 33 HB2 TRP 33 -2.020 -14.352 6.299
268 HB3 TRP 33 HB3 TRP 33 -3.445 -15.274 5.828
269 HD1 TRP 33 HD1 TRP 33 0.134 -15.352 5.508
270 HE1 TRP 33 HE1 TRP 33 0.897 -16.837 3.539
271 HE3 TRP 33 HE3 TRP 33 -4.299 -15.867 3.045
272 HZ2 TRP 33 HZ2 TRP 33 -0.239 -18.076 1.218
273 HZ3 TRP 33 HZ3 TRP 33 -4.436 -17.198 0.960
274 HH2 TRP 33 HH2 TRP 33 -2.414 -18.303 0.044
275 H GLU 34 H GLU 34 -2.662 -11.034 5.293
276 HA GLU 34 HA GLU 34 -5.209 -10.542 6.715
277 HB2 GLU 34 HB2 GLU 34 -2.877 -11.435 8.028
278 HB3 GLU 34 HB3 GLU 34 -2.973 -9.707 8.365
279 HG2 GLU 34 HG2 GLU 34 -5.607 -10.655 8.625
280 HG3 GLU 34 HG3 GLU 34 -4.598 -11.863 9.423
281 H MET 35 H MET 35 -5.666 -8.294 6.805
282 HA MET 35 HA MET 35 -4.855 -6.525 4.891
283 HB2 MET 35 HB2 MET 35 -5.900 -6.380 7.641
284 HB3 MET 35 HB3 MET 35 -5.169 -4.880 7.065
285 HG2 MET 35 HG2 MET 35 -6.570 -5.439 4.886
286 HG3 MET 35 HG3 MET 35 -7.557 -6.350 6.024
287 HE1 MET 35 HE1 MET 35 -7.296 -1.936 5.302
288 HE2 MET 35 HE2 MET 35 -7.764 -3.242 4.205
289 HE3 MET 35 HE3 MET 35 -6.117 -3.154 4.824
290 HA PRO 36 HA PRO 36 -0.542 -5.984 5.938
291 HB2 PRO 36 HB2 PRO 36 0.109 -4.578 3.687
292 HB3 PRO 36 HB3 PRO 36 -0.083 -6.342 3.701
293 HG2 PRO 36 HG2 PRO 36 -1.927 -4.248 2.706
294 HG3 PRO 36 HG3 PRO 36 -1.652 -5.891 2.111
295 HD2 PRO 36 HD2 PRO 36 -3.802 -5.092 3.665
296 HD3 PRO 36 HD3 PRO 36 -3.249 -6.767 3.468
297 H VAL 37 H VAL 37 0.883 -3.741 5.496
298 HA VAL 37 HA VAL 37 -0.783 -1.509 6.616
299 HB VAL 37 HB VAL 37 2.092 -2.266 7.234
300 HG11 VAL 37 HG11 VAL 37 0.246 -0.068 8.092
301 HG12 VAL 37 HG12 VAL 37 1.979 -0.012 7.764
302 HG13 VAL 37 HG13 VAL 37 1.388 -0.714 9.270
303 HG21 VAL 37 HG21 VAL 37 0.524 -3.956 8.082
304 HG22 VAL 37 HG22 VAL 37 -0.464 -2.694 8.815
305 HG23 VAL 37 HG23 VAL 37 1.163 -3.003 9.422
306 H LEU 38 H LEU 38 0.443 0.663 6.309
307 HA LEU 38 HA LEU 38 2.344 0.850 4.102
308 HB2 LEU 38 HB2 LEU 38 -0.107 0.311 3.251
309 HB3 LEU 38 HB3 LEU 38 -0.354 2.035 3.532
310 HG LEU 38 HG LEU 38 2.111 1.238 2.059
311 HD11 LEU 38 HD11 LEU 38 1.020 0.841 0.002
312 HD12 LEU 38 HD12 LEU 38 -0.518 1.461 0.600
313 HD13 LEU 38 HD13 LEU 38 0.080 -0.099 1.160
314 HD21 LEU 38 HD21 LEU 38 0.275 3.549 2.346
315 HD22 LEU 38 HD22 LEU 38 0.945 3.309 0.732
316 HD23 LEU 38 HD23 LEU 38 2.023 3.523 2.111
317 H GLY 39 H GLY 39 2.948 3.120 3.708
318 HA2 GLY 39 HA2 GLY 39 2.451 5.523 4.271
319 HA3 GLY 39 HA3 GLY 39 2.027 4.955 5.886
320 H GLN 40 H GLN 40 4.299 2.992 5.828
321 HA GLN 40 HA GLN 40 6.310 4.711 7.015
322 HB2 GLN 40 HB2 GLN 40 6.407 1.802 6.151
323 HB3 GLN 40 HB3 GLN 40 7.463 2.573 7.334
324 HG2 GLN 40 HG2 GLN 40 5.055 3.221 8.384
325 HG3 GLN 40 HG3 GLN 40 4.644 1.690 7.611
326 HE21 GLN 40 HE21 GLN 40 4.723 1.987 10.480
327 HE22 GLN 40 HE22 GLN 40 5.993 1.028 11.071
328 H HIS 41 H HIS 41 7.506 6.027 5.662
329 HA HIS 41 HA HIS 41 8.048 5.504 2.897
330 HB2 HIS 41 HB2 HIS 41 9.012 7.343 5.052
331 HB3 HIS 41 HB3 HIS 41 9.936 7.268 3.552
332 HD1 HIS 41 HD1 HIS 41 9.054 9.782 3.164
333 HD2 HIS 41 HD2 HIS 41 6.137 6.807 3.022
334 HE1 HIS 41 HE1 HIS 41 7.026 10.820 2.059
335 H ASP 42 H ASP 42 9.894 4.866 5.857
336 HA ASP 42 HA ASP 42 11.824 3.249 4.218
337 HB2 ASP 42 HB2 ASP 42 12.322 5.545 5.639
338 HB3 ASP 42 HB3 ASP 42 12.703 4.303 6.829
339 H VAL 43 H VAL 43 13.152 2.215 6.517
340 HA VAL 43 HA VAL 43 11.126 0.222 7.405
341 HB VAL 43 HB VAL 43 14.139 0.270 7.751
342 HG11 VAL 43 HG11 VAL 43 12.326 -2.131 7.542
343 HG12 VAL 43 HG12 VAL 43 12.594 -1.327 9.089
344 HG13 VAL 43 HG13 VAL 43 13.952 -2.038 8.217
345 HG21 VAL 43 HG21 VAL 43 12.395 -0.415 5.420
346 HG22 VAL 43 HG22 VAL 43 13.804 -1.432 5.723
347 HG23 VAL 43 HG23 VAL 43 14.008 0.296 5.439
348 H ILE 44 H ILE 44 11.044 -0.369 9.705
349 HA ILE 44 HA ILE 44 11.127 1.943 11.474
350 HB ILE 44 HB ILE 44 10.655 -1.019 11.951
351 HG12 ILE 44 HG12 ILE 44 8.705 1.269 11.524
352 HG13 ILE 44 HG13 ILE 44 9.103 0.044 10.320
353 HG21 ILE 44 HG21 ILE 44 9.819 1.349 13.647
354 HG22 ILE 44 HG22 ILE 44 11.238 0.358 13.987
355 HG23 ILE 44 HG23 ILE 44 9.628 -0.360 14.036
356 HD11 ILE 44 HD11 ILE 44 7.223 -0.118 12.503
357 HD12 ILE 44 HD12 ILE 44 8.456 -1.366 12.681
358 HD13 ILE 44 HD13 ILE 44 7.505 -1.272 11.199
359 H SER 45 H SER 45 13.292 2.597 11.812
360 HA SER 45 HA SER 45 15.266 0.561 12.712
361 HB2 SER 45 HB2 SER 45 15.389 2.734 11.044
362 HB3 SER 45 HB3 SER 45 15.990 3.423 12.549
363 HG SER 45 HG SER 45 17.361 2.036 10.876
364 H ASP 46 H ASP 46 13.265 0.878 14.599
365 HA ASP 46 HA ASP 46 12.934 1.398 16.879
366 HB2 ASP 46 HB2 ASP 46 15.915 1.657 16.453
367 HB3 ASP 46 HB3 ASP 46 15.192 1.878 18.046
368 HA PRO 47 HA PRO 47 12.430 5.750 17.121
369 HB2 PRO 47 HB2 PRO 47 12.314 6.119 19.830
370 HB3 PRO 47 HB3 PRO 47 11.001 5.370 18.901
371 HG2 PRO 47 HG2 PRO 47 13.101 4.091 20.573
372 HG3 PRO 47 HG3 PRO 47 11.395 3.660 20.378
373 HD2 PRO 47 HD2 PRO 47 13.445 2.340 19.144
374 HD3 PRO 47 HD3 PRO 47 11.791 2.419 18.499
Start of MODEL 10
1 H LEU 1 H LEU 1 -10.516 -2.697 2.902
2 HA LEU 1 HA LEU 1 -7.583 -2.223 3.043
3 HB2 LEU 1 HB2 LEU 1 -9.447 -3.214 0.885
4 HB3 LEU 1 HB3 LEU 1 -7.949 -2.378 0.473
5 HG LEU 1 HG LEU 1 -8.110 -4.821 2.262
6 HD11 LEU 1 HD11 LEU 1 -7.443 -6.136 0.422
7 HD12 LEU 1 HD12 LEU 1 -6.965 -4.728 -0.526
8 HD13 LEU 1 HD13 LEU 1 -8.674 -5.073 -0.261
9 HD21 LEU 1 HD21 LEU 1 -5.552 -4.334 1.054
10 HD22 LEU 1 HD22 LEU 1 -5.967 -4.343 2.768
11 HD23 LEU 1 HD23 LEU 1 -6.094 -2.850 1.839
12 HA PRO 2 HA PRO 2 -9.828 1.741 2.849
13 HB2 PRO 2 HB2 PRO 2 -7.841 3.174 4.069
14 HB3 PRO 2 HB3 PRO 2 -9.064 2.256 4.970
15 HG2 PRO 2 HG2 PRO 2 -6.245 1.542 4.340
16 HG3 PRO 2 HG3 PRO 2 -7.181 1.251 5.815
17 HD2 PRO 2 HD2 PRO 2 -6.699 -0.665 3.929
18 HD3 PRO 2 HD3 PRO 2 -8.120 -0.668 4.996
19 H GLU 3 H GLU 3 -9.031 3.878 1.854
20 HA GLU 3 HA GLU 3 -7.971 3.555 -0.714
21 HB2 GLU 3 HB2 GLU 3 -9.079 5.555 0.610
22 HB3 GLU 3 HB3 GLU 3 -7.403 6.028 0.894
23 HG2 GLU 3 HG2 GLU 3 -7.898 7.140 -1.108
24 HG3 GLU 3 HG3 GLU 3 -7.127 5.660 -1.680
25 H GLU 4 H GLU 4 -6.248 3.853 2.340
26 HA GLU 4 HA GLU 4 -3.669 4.578 1.416
27 HB2 GLU 4 HB2 GLU 4 -4.816 3.025 3.713
28 HB3 GLU 4 HB3 GLU 4 -3.064 3.095 3.517
29 HG2 GLU 4 HG2 GLU 4 -4.015 4.916 4.985
30 HG3 GLU 4 HG3 GLU 4 -3.079 5.507 3.612
31 H LEU 5 H LEU 5 -4.919 1.283 2.024
32 HA LEU 5 HA LEU 5 -2.620 -0.011 0.822
33 HB2 LEU 5 HB2 LEU 5 -5.386 -0.843 1.706
34 HB3 LEU 5 HB3 LEU 5 -4.262 -1.998 0.991
35 HG LEU 5 HG LEU 5 -3.587 -0.258 3.377
36 HD11 LEU 5 HD11 LEU 5 -4.123 -3.213 3.512
37 HD12 LEU 5 HD12 LEU 5 -5.465 -2.073 3.612
38 HD13 LEU 5 HD13 LEU 5 -4.168 -2.017 4.807
39 HD21 LEU 5 HD21 LEU 5 -1.636 -1.003 2.129
40 HD22 LEU 5 HD22 LEU 5 -2.258 -2.653 2.070
41 HD23 LEU 5 HD23 LEU 5 -1.749 -1.956 3.608
42 H VAL 6 H VAL 6 -5.883 0.803 -0.312
43 HA VAL 6 HA VAL 6 -5.896 -0.593 -2.772
44 HB VAL 6 HB VAL 6 -7.021 2.132 -2.048
45 HG11 VAL 6 HG11 VAL 6 -7.007 0.749 -4.515
46 HG12 VAL 6 HG12 VAL 6 -7.972 2.163 -4.089
47 HG13 VAL 6 HG13 VAL 6 -8.625 0.542 -3.846
48 HG21 VAL 6 HG21 VAL 6 -8.242 0.928 -0.570
49 HG22 VAL 6 HG22 VAL 6 -7.658 -0.601 -1.228
50 HG23 VAL 6 HG23 VAL 6 -9.039 0.209 -1.970
51 H HIS 7 H HIS 7 -4.432 2.506 -1.898
52 HA HIS 7 HA HIS 7 -3.713 3.360 -4.541
53 HB2 HIS 7 HB2 HIS 7 -3.588 4.301 -1.939
54 HB3 HIS 7 HB3 HIS 7 -1.889 4.069 -2.347
55 HD1 HIS 7 HD1 HIS 7 -1.524 6.661 -2.497
56 HD2 HIS 7 HD2 HIS 7 -4.300 5.169 -5.224
57 HE1 HIS 7 HE1 HIS 7 -1.927 8.503 -4.188
58 H ALA 8 H ALA 8 -2.018 1.402 -2.094
59 HA ALA 8 HA ALA 8 0.469 1.149 -3.499
60 HB1 ALA 8 HB1 ALA 8 0.059 -1.162 -1.970
61 HB2 ALA 8 HB2 ALA 8 -0.922 0.069 -1.175
62 HB3 ALA 8 HB3 ALA 8 0.805 0.336 -1.411
63 H GLY 9 H GLY 9 -2.587 -0.601 -3.709
64 HA2 GLY 9 HA2 GLY 9 -3.055 -1.616 -5.961
65 HA3 GLY 9 HA3 GLY 9 -1.403 -2.232 -5.922
66 H TRP 10 H TRP 10 -3.158 -2.264 -2.938
67 HA TRP 10 HA TRP 10 -3.033 -5.201 -2.876
68 HB2 TRP 10 HB2 TRP 10 -3.831 -2.983 -0.987
69 HB3 TRP 10 HB3 TRP 10 -4.047 -4.679 -0.554
70 HD1 TRP 10 HD1 TRP 10 -1.434 -2.000 -0.926
71 HE1 TRP 10 HE1 TRP 10 0.866 -2.929 -0.227
72 HE3 TRP 10 HE3 TRP 10 -2.576 -6.965 -0.517
73 HZ2 TRP 10 HZ2 TRP 10 2.063 -5.445 0.420
74 HZ3 TRP 10 HZ3 TRP 10 -0.837 -8.601 0.140
75 HH2 TRP 10 HH2 TRP 10 1.478 -7.849 0.610
76 H GLU 11 H GLU 11 -4.805 -6.586 -3.003
77 HA GLU 11 HA GLU 11 -7.533 -5.378 -3.195
78 HB2 GLU 11 HB2 GLU 11 -6.353 -7.409 -5.117
79 HB3 GLU 11 HB3 GLU 11 -7.923 -6.618 -5.252
80 HG2 GLU 11 HG2 GLU 11 -6.198 -4.475 -5.026
81 HG3 GLU 11 HG3 GLU 11 -5.261 -5.621 -5.987
82 H LYS 12 H LYS 12 -8.873 -6.504 -1.839
83 HA LYS 12 HA LYS 12 -8.038 -8.974 -0.554
84 HB2 LYS 12 HB2 LYS 12 -9.711 -6.911 0.021
85 HB3 LYS 12 HB3 LYS 12 -10.882 -8.111 -0.529
86 HG2 LYS 12 HG2 LYS 12 -9.496 -9.724 1.044
87 HG3 LYS 12 HG3 LYS 12 -9.033 -8.212 1.828
88 HD2 LYS 12 HD2 LYS 12 -11.144 -7.819 2.624
89 HD3 LYS 12 HD3 LYS 12 -11.921 -8.531 1.210
90 HE2 LYS 12 HE2 LYS 12 -12.388 -10.231 2.697
91 HE3 LYS 12 HE3 LYS 12 -10.741 -10.746 2.283
92 HZ1 LYS 12 HZ1 LYS 12 -11.518 -8.949 4.519
93 HZ2 LYS 12 HZ2 LYS 12 -9.919 -9.295 4.073
94 HZ3 LYS 12 HZ3 LYS 12 -10.922 -10.534 4.661
95 H CYS 13 H CYS 13 -8.339 -11.021 -1.361
96 HA CYS 13 HA CYS 13 -10.611 -11.502 -3.244
97 HB2 CYS 13 HB2 CYS 13 -7.669 -12.099 -3.662
98 HB3 CYS 13 HB3 CYS 13 -8.947 -12.770 -4.673
99 HG CYS 13 HG CYS 13 -9.601 -10.267 -5.313
100 H TRP 14 H TRP 14 -10.538 -14.047 -3.749
101 HA TRP 14 HA TRP 14 -10.161 -15.444 -1.118
102 HB2 TRP 14 HB2 TRP 14 -12.489 -15.198 -1.732
103 HB3 TRP 14 HB3 TRP 14 -12.166 -15.769 -3.369
104 HD1 TRP 14 HD1 TRP 14 -11.645 -18.368 -3.695
105 HE1 TRP 14 HE1 TRP 14 -12.203 -20.420 -2.236
106 HE3 TRP 14 HE3 TRP 14 -12.785 -16.038 0.703
107 HZ2 TRP 14 HZ2 TRP 14 -13.026 -20.995 0.443
108 HZ3 TRP 14 HZ3 TRP 14 -13.453 -17.361 2.690
109 HH2 TRP 14 HH2 TRP 14 -13.574 -19.834 2.566
110 H SER 15 H SER 15 -8.250 -16.603 -1.356
111 HA SER 15 HA SER 15 -7.326 -17.658 -3.896
112 HB2 SER 15 HB2 SER 15 -6.205 -17.005 -1.519
113 HB3 SER 15 HB3 SER 15 -6.348 -18.747 -1.304
114 HG SER 15 HG SER 15 -4.641 -17.324 -2.848
115 H ARG 16 H ARG 16 -7.848 -19.631 -4.790
116 HA ARG 16 HA ARG 16 -9.846 -21.334 -3.541
117 HB2 ARG 16 HB2 ARG 16 -8.207 -21.260 -6.052
118 HB3 ARG 16 HB3 ARG 16 -9.061 -22.749 -5.642
119 HG2 ARG 16 HG2 ARG 16 -10.998 -21.862 -6.361
120 HG3 ARG 16 HG3 ARG 16 -10.830 -20.530 -5.217
121 HD2 ARG 16 HD2 ARG 16 -9.534 -19.236 -6.807
122 HD3 ARG 16 HD3 ARG 16 -9.461 -20.610 -7.930
123 HE ARG 16 HE ARG 16 -12.135 -20.372 -7.637
124 HH11 ARG 16 HH11 ARG 16 -9.599 -18.280 -8.598
125 HH12 ARG 16 HH12 ARG 16 -10.653 -17.035 -9.180
126 HH21 ARG 16 HH21 ARG 16 -13.551 -18.641 -8.158
127 HH22 ARG 16 HH22 ARG 16 -12.890 -17.239 -8.932
128 H ARG 17 H ARG 17 -6.356 -21.714 -4.259
129 HA ARG 17 HA ARG 17 -6.010 -24.360 -3.335
130 HB2 ARG 17 HB2 ARG 17 -4.469 -22.246 -4.273
131 HB3 ARG 17 HB3 ARG 17 -3.842 -22.517 -2.645
132 HG2 ARG 17 HG2 ARG 17 -3.386 -24.830 -3.116
133 HG3 ARG 17 HG3 ARG 17 -4.258 -24.749 -4.648
134 HD2 ARG 17 HD2 ARG 17 -2.570 -23.040 -5.436
135 HD3 ARG 17 HD3 ARG 17 -1.640 -23.372 -3.962
136 HE ARG 17 HE ARG 17 -2.425 -25.719 -5.587
137 HH11 ARG 17 HH11 ARG 17 -0.301 -23.660 -6.689
138 HH12 ARG 17 HH12 ARG 17 1.149 -24.516 -6.285
139 HH21 ARG 17 HH21 ARG 17 -0.443 -26.742 -4.155
140 HH22 ARG 17 HH22 ARG 17 1.070 -26.261 -4.848
141 H GLU 18 H GLU 18 -5.756 -21.314 -1.499
142 HA GLU 18 HA GLU 18 -5.331 -22.703 1.044
143 HB2 GLU 18 HB2 GLU 18 -5.154 -20.063 -0.099
144 HB3 GLU 18 HB3 GLU 18 -6.084 -19.990 1.398
145 HG2 GLU 18 HG2 GLU 18 -3.349 -21.256 1.074
146 HG3 GLU 18 HG3 GLU 18 -3.684 -19.716 1.867
147 H ASN 19 H ASN 19 -8.061 -21.848 -0.843
148 HA ASN 19 HA ASN 19 -10.377 -21.965 -0.397
149 HB2 ASN 19 HB2 ASN 19 -9.601 -24.178 0.430
150 HB3 ASN 19 HB3 ASN 19 -9.318 -23.466 2.018
151 HD21 ASN 19 HD21 ASN 19 -11.024 -25.254 2.575
152 HD22 ASN 19 HD22 ASN 19 -12.655 -24.793 2.484
153 H ARG 20 H ARG 20 -9.112 -19.574 0.407
154 HA ARG 20 HA ARG 20 -11.000 -18.584 2.379
155 HB2 ARG 20 HB2 ARG 20 -9.206 -18.026 4.064
156 HB3 ARG 20 HB3 ARG 20 -9.504 -19.754 3.888
157 HG2 ARG 20 HG2 ARG 20 -7.385 -20.112 3.207
158 HG3 ARG 20 HG3 ARG 20 -7.525 -18.865 1.967
159 HD2 ARG 20 HD2 ARG 20 -6.169 -17.538 3.200
160 HD3 ARG 20 HD3 ARG 20 -7.385 -17.540 4.495
161 HE ARG 20 HE ARG 20 -5.917 -20.026 4.475
162 HH11 ARG 20 HH11 ARG 20 -6.440 -17.081 6.044
163 HH12 ARG 20 HH12 ARG 20 -5.005 -17.151 7.010
164 HH21 ARG 20 HH21 ARG 20 -3.752 -19.965 5.420
165 HH22 ARG 20 HH22 ARG 20 -3.483 -18.783 6.657
166 HA PRO 21 HA PRO 21 -9.615 -14.859 0.534
167 HB2 PRO 21 HB2 PRO 21 -10.235 -13.026 2.462
168 HB3 PRO 21 HB3 PRO 21 -11.452 -13.878 1.495
169 HG2 PRO 21 HG2 PRO 21 -10.748 -14.214 4.313
170 HG3 PRO 21 HG3 PRO 21 -12.208 -14.703 3.445
171 HD2 PRO 21 HD2 PRO 21 -9.983 -16.335 4.221
172 HD3 PRO 21 HD3 PRO 21 -11.458 -16.830 3.366
173 H TYR 22 H TYR 22 -8.106 -13.029 0.679
174 HA TYR 22 HA TYR 22 -6.194 -12.849 2.876
175 HB2 TYR 22 HB2 TYR 22 -4.296 -13.750 1.608
176 HB3 TYR 22 HB3 TYR 22 -5.565 -14.965 1.716
177 HD1 TYR 22 HD1 TYR 22 -7.361 -14.853 -0.249
178 HD2 TYR 22 HD2 TYR 22 -3.350 -13.335 -0.488
179 HE1 TYR 22 HE1 TYR 22 -7.458 -14.998 -2.722
180 HE2 TYR 22 HE2 TYR 22 -3.446 -13.482 -2.963
181 HH TYR 22 HH TYR 22 -5.376 -15.246 -4.627
182 H TYR 23 H TYR 23 -4.052 -11.909 1.060
183 HA TYR 23 HA TYR 23 -5.382 -9.533 -0.190
184 HB2 TYR 23 HB2 TYR 23 -3.031 -9.643 1.725
185 HB3 TYR 23 HB3 TYR 23 -3.497 -8.195 0.834
186 HD1 TYR 23 HD1 TYR 23 -4.588 -10.638 3.403
187 HD2 TYR 23 HD2 TYR 23 -5.437 -6.910 1.444
188 HE1 TYR 23 HE1 TYR 23 -6.307 -10.130 5.115
189 HE2 TYR 23 HE2 TYR 23 -7.157 -6.403 3.157
190 HH TYR 23 HH TYR 23 -8.464 -8.644 5.168
191 H PHE 24 H PHE 24 -4.638 -9.216 -2.253
192 HA PHE 24 HA PHE 24 -2.016 -10.475 -2.999
193 HB2 PHE 24 HB2 PHE 24 -3.803 -11.679 -4.032
194 HB3 PHE 24 HB3 PHE 24 -4.663 -10.193 -4.440
195 HD1 PHE 24 HD1 PHE 24 -1.655 -12.235 -5.203
196 HD2 PHE 24 HD2 PHE 24 -4.135 -8.943 -6.412
197 HE1 PHE 24 HE1 PHE 24 -0.471 -12.143 -7.380
198 HE2 PHE 24 HE2 PHE 24 -2.951 -8.851 -8.590
199 HZ PHE 24 HZ PHE 24 -1.117 -10.450 -9.073
200 H ASN 25 H ASN 25 -0.585 -8.771 -3.160
201 HA ASN 25 HA ASN 25 -1.441 -6.092 -3.971
202 HB2 ASN 25 HB2 ASN 25 0.463 -6.952 -2.360
203 HB3 ASN 25 HB3 ASN 25 1.400 -7.055 -3.846
204 HD21 ASN 25 HD21 ASN 25 -1.062 -4.650 -2.843
205 HD22 ASN 25 HD22 ASN 25 -0.039 -3.305 -3.003
206 H ARG 26 H ARG 26 -2.089 -6.050 -6.146
207 HA ARG 26 HA ARG 26 -0.891 -7.557 -8.266
208 HB2 ARG 26 HB2 ARG 26 -2.238 -6.092 -9.658
209 HB3 ARG 26 HB3 ARG 26 -3.149 -6.418 -8.184
210 HG2 ARG 26 HG2 ARG 26 -2.117 -4.272 -7.245
211 HG3 ARG 26 HG3 ARG 26 -1.599 -3.923 -8.894
212 HD2 ARG 26 HD2 ARG 26 -4.023 -4.216 -9.612
213 HD3 ARG 26 HD3 ARG 26 -4.442 -4.246 -7.887
214 HE ARG 26 HE ARG 26 -2.874 -2.018 -8.026
215 HH11 ARG 26 HH11 ARG 26 -3.518 -1.867 -10.958
216 HH12 ARG 26 HH12 ARG 26 -4.934 -0.869 -10.963
217 HH21 ARG 26 HH21 ARG 26 -5.561 -1.284 -7.578
218 HH22 ARG 26 HH22 ARG 26 -6.089 -0.538 -9.049
219 H PHE 27 H PHE 27 0.193 -4.784 -6.541
220 HA PHE 27 HA PHE 27 1.818 -3.643 -8.694
221 HB2 PHE 27 HB2 PHE 27 0.716 -2.745 -6.379
222 HB3 PHE 27 HB3 PHE 27 2.360 -3.069 -5.832
223 HD1 PHE 27 HD1 PHE 27 4.239 -2.273 -7.601
224 HD2 PHE 27 HD2 PHE 27 0.287 -0.630 -7.244
225 HE1 PHE 27 HE1 PHE 27 5.011 -0.183 -8.690
226 HE2 PHE 27 HE2 PHE 27 1.059 1.461 -8.334
227 HZ PHE 27 HZ PHE 27 3.420 1.684 -9.057
228 H THR 28 H THR 28 2.638 -5.191 -5.555
229 HA THR 28 HA THR 28 5.335 -5.850 -6.632
230 HB THR 28 HB THR 28 5.897 -6.158 -4.310
231 HG1 THR 28 HG1 THR 28 3.094 -6.285 -4.008
232 HG21 THR 28 HG21 THR 28 5.532 -4.002 -3.522
233 HG22 THR 28 HG22 THR 28 3.865 -3.964 -4.095
234 HG23 THR 28 HG23 THR 28 5.196 -3.791 -5.240
235 H ASN 29 H ASN 29 2.471 -7.249 -6.953
236 HA ASN 29 HA ASN 29 1.722 -9.470 -7.249
237 HB2 ASN 29 HB2 ASN 29 3.615 -9.460 -8.777
238 HB3 ASN 29 HB3 ASN 29 4.737 -9.751 -7.446
239 HD21 ASN 29 HD21 ASN 29 2.008 -11.259 -9.223
240 HD22 ASN 29 HD22 ASN 29 2.447 -12.856 -8.853
241 H GLN 30 H GLN 30 2.672 -8.451 -4.444
242 HA GLN 30 HA GLN 30 3.666 -10.779 -3.041
243 HB2 GLN 30 HB2 GLN 30 3.072 -8.030 -2.584
244 HB3 GLN 30 HB3 GLN 30 2.201 -8.964 -1.367
245 HG2 GLN 30 HG2 GLN 30 4.334 -10.202 -0.886
246 HG3 GLN 30 HG3 GLN 30 5.161 -9.091 -1.976
247 HE21 GLN 30 HE21 GLN 30 5.299 -9.461 1.088
248 HE22 GLN 30 HE22 GLN 30 5.064 -7.893 1.696
249 H SER 31 H SER 31 2.429 -12.019 -1.451
250 HA SER 31 HA SER 31 -0.533 -12.040 -1.849
251 HB2 SER 31 HB2 SER 31 -0.285 -14.585 -1.930
252 HB3 SER 31 HB3 SER 31 0.308 -13.723 -3.346
253 HG SER 31 HG SER 31 2.169 -14.587 -2.927
254 H LEU 32 H LEU 32 -0.711 -11.154 0.291
255 HA LEU 32 HA LEU 32 0.557 -12.580 2.549
256 HB2 LEU 32 HB2 LEU 32 -1.357 -10.226 2.458
257 HB3 LEU 32 HB3 LEU 32 -0.335 -10.693 3.817
258 HG LEU 32 HG LEU 32 0.612 -9.742 1.099
259 HD11 LEU 32 HD11 LEU 32 1.595 -7.896 2.495
260 HD12 LEU 32 HD12 LEU 32 0.715 -8.540 3.881
261 HD13 LEU 32 HD13 LEU 32 -0.169 -7.912 2.489
262 HD21 LEU 32 HD21 LEU 32 1.930 -11.194 3.314
263 HD22 LEU 32 HD22 LEU 32 2.799 -9.775 2.732
264 HD23 LEU 32 HD23 LEU 32 2.389 -11.077 1.615
265 H TRP 33 H TRP 33 -1.332 -12.344 4.495
266 HA TRP 33 HA TRP 33 -3.743 -13.844 3.553
267 HB2 TRP 33 HB2 TRP 33 -1.834 -14.529 5.809
268 HB3 TRP 33 HB3 TRP 33 -3.344 -15.377 5.497
269 HD1 TRP 33 HD1 TRP 33 0.177 -15.545 4.727
270 HE1 TRP 33 HE1 TRP 33 0.639 -17.069 2.693
271 HE3 TRP 33 HE3 TRP 33 -4.554 -15.983 2.888
272 HZ2 TRP 33 HZ2 TRP 33 -0.824 -18.305 0.564
273 HZ3 TRP 33 HZ3 TRP 33 -4.998 -17.334 0.858
274 HH2 TRP 33 HH2 TRP 33 -3.141 -18.495 -0.305
275 H GLU 34 H GLU 34 -2.596 -11.170 5.065
276 HA GLU 34 HA GLU 34 -5.112 -10.766 6.567
277 HB2 GLU 34 HB2 GLU 34 -2.624 -11.597 7.751
278 HB3 GLU 34 HB3 GLU 34 -2.990 -9.958 8.290
279 HG2 GLU 34 HG2 GLU 34 -5.423 -10.965 8.616
280 HG3 GLU 34 HG3 GLU 34 -4.534 -12.486 8.727
281 H MET 35 H MET 35 -5.597 -8.534 6.721
282 HA MET 35 HA MET 35 -4.758 -6.686 4.889
283 HB2 MET 35 HB2 MET 35 -6.085 -6.732 7.442
284 HB3 MET 35 HB3 MET 35 -5.103 -5.271 7.320
285 HG2 MET 35 HG2 MET 35 -6.327 -5.632 4.798
286 HG3 MET 35 HG3 MET 35 -7.587 -5.877 6.003
287 HE1 MET 35 HE1 MET 35 -8.078 -4.487 7.870
288 HE2 MET 35 HE2 MET 35 -7.766 -2.754 8.047
289 HE3 MET 35 HE3 MET 35 -6.519 -3.925 8.467
290 HA PRO 36 HA PRO 36 -0.515 -6.070 6.117
291 HB2 PRO 36 HB2 PRO 36 0.195 -4.619 3.914
292 HB3 PRO 36 HB3 PRO 36 0.023 -6.385 3.892
293 HG2 PRO 36 HG2 PRO 36 -1.763 -4.305 2.808
294 HG3 PRO 36 HG3 PRO 36 -1.520 -5.975 2.283
295 HD2 PRO 36 HD2 PRO 36 -3.664 -4.997 3.812
296 HD3 PRO 36 HD3 PRO 36 -3.261 -6.702 3.530
297 H VAL 37 H VAL 37 0.827 -3.696 5.485
298 HA VAL 37 HA VAL 37 -0.883 -1.531 6.654
299 HB VAL 37 HB VAL 37 1.984 -2.122 7.432
300 HG11 VAL 37 HG11 VAL 37 1.656 -0.051 8.318
301 HG12 VAL 37 HG12 VAL 37 0.728 -0.913 9.545
302 HG13 VAL 37 HG13 VAL 37 -0.099 -0.167 8.177
303 HG21 VAL 37 HG21 VAL 37 -0.605 -3.264 8.439
304 HG22 VAL 37 HG22 VAL 37 0.707 -2.976 9.581
305 HG23 VAL 37 HG23 VAL 37 0.952 -4.062 8.214
306 H LEU 38 H LEU 38 0.486 0.631 6.501
307 HA LEU 38 HA LEU 38 2.201 0.688 4.067
308 HB2 LEU 38 HB2 LEU 38 -0.520 1.131 3.969
309 HB3 LEU 38 HB3 LEU 38 0.116 2.767 4.146
310 HG LEU 38 HG LEU 38 1.636 1.135 2.237
311 HD11 LEU 38 HD11 LEU 38 -0.671 1.957 0.781
312 HD12 LEU 38 HD12 LEU 38 -1.228 0.988 2.146
313 HD13 LEU 38 HD13 LEU 38 -0.061 0.317 1.006
314 HD21 LEU 38 HD21 LEU 38 1.330 3.785 2.799
315 HD22 LEU 38 HD22 LEU 38 0.231 3.618 1.430
316 HD23 LEU 38 HD23 LEU 38 1.930 3.180 1.255
317 H GLY 39 H GLY 39 3.544 2.576 3.990
318 HA2 GLY 39 HA2 GLY 39 3.575 4.962 5.183
319 HA3 GLY 39 HA3 GLY 39 3.821 3.945 6.605
320 H GLN 40 H GLN 40 5.236 4.946 3.530
321 HA GLN 40 HA GLN 40 7.780 3.554 4.177
322 HB2 GLN 40 HB2 GLN 40 6.537 4.947 1.821
323 HB3 GLN 40 HB3 GLN 40 8.285 4.719 1.859
324 HG2 GLN 40 HG2 GLN 40 7.242 2.246 2.653
325 HG3 GLN 40 HG3 GLN 40 6.190 2.769 1.336
326 HE21 GLN 40 HE21 GLN 40 7.498 3.682 -0.655
327 HE22 GLN 40 HE22 GLN 40 8.904 2.828 -1.073
328 H HIS 41 H HIS 41 7.057 5.690 5.959
329 HA HIS 41 HA HIS 41 9.431 7.396 5.659
330 HB2 HIS 41 HB2 HIS 41 8.182 9.468 5.457
331 HB3 HIS 41 HB3 HIS 41 7.632 8.377 4.185
332 HD1 HIS 41 HD1 HIS 41 6.521 10.053 7.332
333 HD2 HIS 41 HD2 HIS 41 5.002 7.292 4.604
334 HE1 HIS 41 HE1 HIS 41 4.047 9.844 7.827
335 H ASP 42 H ASP 42 9.989 8.371 7.656
336 HA ASP 42 HA ASP 42 8.503 7.346 10.013
337 HB2 ASP 42 HB2 ASP 42 11.217 8.472 9.395
338 HB3 ASP 42 HB3 ASP 42 10.643 8.507 11.063
339 H VAL 43 H VAL 43 8.929 9.222 11.919
340 HA VAL 43 HA VAL 43 7.016 11.306 11.277
341 HB VAL 43 HB VAL 43 7.357 11.894 13.603
342 HG11 VAL 43 HG11 VAL 43 7.832 8.913 13.441
343 HG12 VAL 43 HG12 VAL 43 6.293 9.647 12.989
344 HG13 VAL 43 HG13 VAL 43 6.891 9.799 14.641
345 HG21 VAL 43 HG21 VAL 43 10.040 10.972 13.020
346 HG22 VAL 43 HG22 VAL 43 9.419 10.178 14.468
347 HG23 VAL 43 HG23 VAL 43 9.473 11.938 14.382
348 H ILE 44 H ILE 44 7.466 13.610 11.257
349 HA ILE 44 HA ILE 44 8.702 15.479 10.487
350 HB ILE 44 HB ILE 44 10.817 14.068 12.145
351 HG12 ILE 44 HG12 ILE 44 8.724 16.050 13.080
352 HG13 ILE 44 HG13 ILE 44 8.529 14.303 13.232
353 HG21 ILE 44 HG21 ILE 44 10.449 17.024 12.115
354 HG22 ILE 44 HG22 ILE 44 11.150 16.295 10.669
355 HG23 ILE 44 HG23 ILE 44 11.931 16.076 12.236
356 HD11 ILE 44 HD11 ILE 44 10.739 15.988 14.446
357 HD12 ILE 44 HD12 ILE 44 10.691 14.226 14.497
358 HD13 ILE 44 HD13 ILE 44 9.442 15.165 15.315
359 H SER 45 H SER 45 8.669 14.367 8.267
360 HA SER 45 HA SER 45 11.485 13.905 7.381
361 HB2 SER 45 HB2 SER 45 10.641 11.704 7.632
362 HB3 SER 45 HB3 SER 45 9.046 12.158 7.037
363 HG SER 45 HG SER 45 9.894 11.315 5.268
364 H ASP 46 H ASP 46 11.291 16.089 6.468
365 HA ASP 46 HA ASP 46 10.902 17.538 4.637
366 HB2 ASP 46 HB2 ASP 46 11.063 14.921 3.708
367 HB3 ASP 46 HB3 ASP 46 9.560 15.512 2.999
368 HA PRO 47 HA PRO 47 6.330 17.277 5.822
369 HB2 PRO 47 HB2 PRO 47 6.329 19.140 7.826
370 HB3 PRO 47 HB3 PRO 47 6.597 17.410 8.117
371 HG2 PRO 47 HG2 PRO 47 8.571 19.629 7.959
372 HG3 PRO 47 HG3 PRO 47 8.541 18.219 9.027
373 HD2 PRO 47 HD2 PRO 47 10.135 18.411 6.816
374 HD3 PRO 47 HD3 PRO 47 9.563 16.869 7.490
Start of MODEL 11
1 H LEU 1 H LEU 1 -9.021 -3.276 3.878
2 HA LEU 1 HA LEU 1 -7.188 -1.867 2.898
3 HB2 LEU 1 HB2 LEU 1 -9.740 -2.825 1.653
4 HB3 LEU 1 HB3 LEU 1 -8.572 -1.996 0.623
5 HG LEU 1 HG LEU 1 -7.941 -4.383 2.384
6 HD11 LEU 1 HD11 LEU 1 -9.227 -4.251 -0.149
7 HD12 LEU 1 HD12 LEU 1 -8.639 -5.688 0.689
8 HD13 LEU 1 HD13 LEU 1 -7.585 -4.827 -0.433
9 HD21 LEU 1 HD21 LEU 1 -6.015 -4.046 0.373
10 HD22 LEU 1 HD22 LEU 1 -5.813 -3.687 2.087
11 HD23 LEU 1 HD23 LEU 1 -6.323 -2.417 0.974
12 HA PRO 2 HA PRO 2 -9.208 2.287 3.149
13 HB2 PRO 2 HB2 PRO 2 -7.051 3.552 4.259
14 HB3 PRO 2 HB3 PRO 2 -8.283 2.716 5.224
15 HG2 PRO 2 HG2 PRO 2 -5.566 1.808 4.428
16 HG3 PRO 2 HG3 PRO 2 -6.440 1.561 5.948
17 HD2 PRO 2 HD2 PRO 2 -6.198 -0.348 4.005
18 HD3 PRO 2 HD3 PRO 2 -7.543 -0.279 5.164
19 H GLU 3 H GLU 3 -8.304 4.377 2.137
20 HA GLU 3 HA GLU 3 -7.438 4.019 -0.499
21 HB2 GLU 3 HB2 GLU 3 -8.343 6.070 0.810
22 HB3 GLU 3 HB3 GLU 3 -6.650 6.393 1.192
23 HG2 GLU 3 HG2 GLU 3 -7.422 7.602 -0.854
24 HG3 GLU 3 HG3 GLU 3 -6.090 6.491 -1.179
25 H GLU 4 H GLU 4 -5.470 4.302 2.437
26 HA GLU 4 HA GLU 4 -2.924 4.742 1.276
27 HB2 GLU 4 HB2 GLU 4 -4.042 3.517 3.759
28 HB3 GLU 4 HB3 GLU 4 -2.329 3.260 3.426
29 HG2 GLU 4 HG2 GLU 4 -2.484 5.906 2.910
30 HG3 GLU 4 HG3 GLU 4 -3.767 5.769 4.113
31 H LEU 5 H LEU 5 -4.565 1.661 2.000
32 HA LEU 5 HA LEU 5 -2.447 0.020 0.890
33 HB2 LEU 5 HB2 LEU 5 -5.321 -0.379 1.728
34 HB3 LEU 5 HB3 LEU 5 -4.360 -1.703 1.069
35 HG LEU 5 HG LEU 5 -3.637 -0.030 3.492
36 HD11 LEU 5 HD11 LEU 5 -3.873 -2.863 3.951
37 HD12 LEU 5 HD12 LEU 5 -5.359 -2.265 3.212
38 HD13 LEU 5 HD13 LEU 5 -4.767 -1.547 4.711
39 HD21 LEU 5 HD21 LEU 5 -1.947 -2.068 3.633
40 HD22 LEU 5 HD22 LEU 5 -1.565 -0.661 2.642
41 HD23 LEU 5 HD23 LEU 5 -2.204 -2.122 1.890
42 H VAL 6 H VAL 6 -5.510 1.308 -0.335
43 HA VAL 6 HA VAL 6 -5.664 -0.147 -2.773
44 HB VAL 6 HB VAL 6 -6.467 2.731 -2.254
45 HG11 VAL 6 HG11 VAL 6 -8.375 2.060 -3.758
46 HG12 VAL 6 HG12 VAL 6 -7.538 0.536 -4.051
47 HG13 VAL 6 HG13 VAL 6 -6.801 2.056 -4.555
48 HG21 VAL 6 HG21 VAL 6 -8.642 1.018 -1.769
49 HG22 VAL 6 HG22 VAL 6 -7.737 1.935 -0.565
50 HG23 VAL 6 HG23 VAL 6 -7.278 0.272 -0.934
51 H HIS 7 H HIS 7 -3.817 2.732 -1.885
52 HA HIS 7 HA HIS 7 -3.019 3.534 -4.521
53 HB2 HIS 7 HB2 HIS 7 -2.356 4.050 -1.708
54 HB3 HIS 7 HB3 HIS 7 -0.969 4.228 -2.783
55 HD1 HIS 7 HD1 HIS 7 -1.137 6.854 -2.353
56 HD2 HIS 7 HD2 HIS 7 -4.388 5.183 -4.357
57 HE1 HIS 7 HE1 HIS 7 -2.423 8.786 -3.366
58 H ALA 8 H ALA 8 -1.534 1.333 -2.136
59 HA ALA 8 HA ALA 8 0.848 0.767 -3.631
60 HB1 ALA 8 HB1 ALA 8 1.246 -0.368 -1.714
61 HB2 ALA 8 HB2 ALA 8 -0.119 -1.442 -2.016
62 HB3 ALA 8 HB3 ALA 8 -0.371 0.091 -1.182
63 H GLY 9 H GLY 9 -2.371 -0.725 -3.595
64 HA2 GLY 9 HA2 GLY 9 -3.159 -1.642 -5.791
65 HA3 GLY 9 HA3 GLY 9 -1.545 -2.325 -5.985
66 H TRP 10 H TRP 10 -3.433 -2.319 -2.986
67 HA TRP 10 HA TRP 10 -3.130 -5.260 -2.840
68 HB2 TRP 10 HB2 TRP 10 -3.975 -3.021 -1.001
69 HB3 TRP 10 HB3 TRP 10 -4.218 -4.705 -0.540
70 HD1 TRP 10 HD1 TRP 10 -1.568 -2.063 -0.925
71 HE1 TRP 10 HE1 TRP 10 0.705 -2.998 -0.145
72 HE3 TRP 10 HE3 TRP 10 -2.778 -6.997 -0.395
73 HZ2 TRP 10 HZ2 TRP 10 1.856 -5.505 0.603
74 HZ3 TRP 10 HZ3 TRP 10 -1.074 -8.635 0.350
75 HH2 TRP 10 HH2 TRP 10 1.239 -7.896 0.850
76 H GLU 11 H GLU 11 -5.033 -6.615 -2.323
77 HA GLU 11 HA GLU 11 -7.727 -5.531 -2.751
78 HB2 GLU 11 HB2 GLU 11 -8.024 -7.000 -4.810
79 HB3 GLU 11 HB3 GLU 11 -6.964 -5.607 -5.036
80 HG2 GLU 11 HG2 GLU 11 -5.146 -6.910 -5.391
81 HG3 GLU 11 HG3 GLU 11 -5.550 -7.980 -4.048
82 H LYS 12 H LYS 12 -9.196 -6.885 -1.736
83 HA LYS 12 HA LYS 12 -8.184 -9.340 -0.460
84 HB2 LYS 12 HB2 LYS 12 -9.760 -7.440 0.436
85 HB3 LYS 12 HB3 LYS 12 -11.022 -8.335 -0.413
86 HG2 LYS 12 HG2 LYS 12 -9.462 -10.235 1.021
87 HG3 LYS 12 HG3 LYS 12 -9.835 -8.918 2.134
88 HD2 LYS 12 HD2 LYS 12 -12.033 -9.458 2.204
89 HD3 LYS 12 HD3 LYS 12 -12.117 -9.691 0.458
90 HE2 LYS 12 HE2 LYS 12 -10.991 -11.919 0.748
91 HE3 LYS 12 HE3 LYS 12 -11.094 -11.691 2.504
92 HZ1 LYS 12 HZ1 LYS 12 -13.575 -11.054 1.311
93 HZ2 LYS 12 HZ2 LYS 12 -13.230 -12.251 2.462
94 HZ3 LYS 12 HZ3 LYS 12 -13.100 -12.605 0.807
95 H CYS 13 H CYS 13 -8.669 -11.415 -1.151
96 HA CYS 13 HA CYS 13 -10.891 -11.856 -3.065
97 HB2 CYS 13 HB2 CYS 13 -7.942 -12.215 -3.633
98 HB3 CYS 13 HB3 CYS 13 -9.183 -13.037 -4.579
99 HG CYS 13 HG CYS 13 -10.136 -10.405 -4.856
100 H TRP 14 H TRP 14 -10.700 -14.376 -3.719
101 HA TRP 14 HA TRP 14 -10.247 -15.869 -1.154
102 HB2 TRP 14 HB2 TRP 14 -12.570 -15.757 -1.845
103 HB3 TRP 14 HB3 TRP 14 -12.152 -16.245 -3.487
104 HD1 TRP 14 HD1 TRP 14 -11.525 -18.786 -3.908
105 HE1 TRP 14 HE1 TRP 14 -11.951 -20.923 -2.531
106 HE3 TRP 14 HE3 TRP 14 -12.763 -16.704 0.587
107 HZ2 TRP 14 HZ2 TRP 14 -12.717 -21.653 0.127
108 HZ3 TRP 14 HZ3 TRP 14 -13.336 -18.141 2.523
109 HH2 TRP 14 HH2 TRP 14 -13.316 -20.611 2.299
110 H SER 15 H SER 15 -8.185 -16.775 -1.436
111 HA SER 15 HA SER 15 -7.181 -17.701 -3.995
112 HB2 SER 15 HB2 SER 15 -6.059 -16.929 -1.703
113 HB3 SER 15 HB3 SER 15 -6.135 -18.653 -1.354
114 HG SER 15 HG SER 15 -4.986 -19.027 -3.269
115 H ARG 16 H ARG 16 -7.769 -19.608 -4.961
116 HA ARG 16 HA ARG 16 -9.430 -21.581 -3.658
117 HB2 ARG 16 HB2 ARG 16 -8.329 -20.949 -6.263
118 HB3 ARG 16 HB3 ARG 16 -8.200 -22.681 -5.950
119 HG2 ARG 16 HG2 ARG 16 -10.400 -22.930 -6.333
120 HG3 ARG 16 HG3 ARG 16 -10.765 -21.789 -5.039
121 HD2 ARG 16 HD2 ARG 16 -11.714 -20.694 -6.882
122 HD3 ARG 16 HD3 ARG 16 -10.082 -19.994 -6.888
123 HE ARG 16 HE ARG 16 -9.914 -22.394 -8.352
124 HH11 ARG 16 HH11 ARG 16 -11.052 -19.165 -8.536
125 HH12 ARG 16 HH12 ARG 16 -11.383 -19.229 -10.235
126 HH21 ARG 16 HH21 ARG 16 -10.564 -22.584 -10.539
127 HH22 ARG 16 HH22 ARG 16 -11.107 -21.165 -11.369
128 H ARG 17 H ARG 17 -5.950 -21.335 -4.295
129 HA ARG 17 HA ARG 17 -5.205 -24.017 -3.685
130 HB2 ARG 17 HB2 ARG 17 -3.846 -21.323 -3.464
131 HB3 ARG 17 HB3 ARG 17 -2.992 -22.835 -3.151
132 HG2 ARG 17 HG2 ARG 17 -3.380 -23.618 -5.388
133 HG3 ARG 17 HG3 ARG 17 -4.509 -22.302 -5.715
134 HD2 ARG 17 HD2 ARG 17 -2.811 -20.717 -5.932
135 HD3 ARG 17 HD3 ARG 17 -1.688 -21.634 -4.908
136 HE ARG 17 HE ARG 17 -2.375 -23.182 -7.232
137 HH11 ARG 17 HH11 ARG 17 -1.677 -20.296 -8.152
138 HH12 ARG 17 HH12 ARG 17 0.001 -20.497 -8.531
139 HH21 ARG 17 HH21 ARG 17 0.288 -23.526 -6.869
140 HH22 ARG 17 HH22 ARG 17 1.113 -22.325 -7.805
141 H GLU 18 H GLU 18 -5.245 -21.133 -1.584
142 HA GLU 18 HA GLU 18 -4.701 -22.708 0.825
143 HB2 GLU 18 HB2 GLU 18 -4.737 -19.970 -0.080
144 HB3 GLU 18 HB3 GLU 18 -5.648 -20.107 1.424
145 HG2 GLU 18 HG2 GLU 18 -2.795 -20.994 0.931
146 HG3 GLU 18 HG3 GLU 18 -3.338 -19.706 2.008
147 H ASN 19 H ASN 19 -7.480 -21.950 -0.995
148 HA ASN 19 HA ASN 19 -9.778 -22.307 -0.593
149 HB2 ASN 19 HB2 ASN 19 -8.866 -24.479 0.156
150 HB3 ASN 19 HB3 ASN 19 -8.599 -23.814 1.765
151 HD21 ASN 19 HD21 ASN 19 -11.063 -24.974 -0.467
152 HD22 ASN 19 HD22 ASN 19 -12.348 -24.943 0.641
153 H ARG 20 H ARG 20 -8.915 -19.824 0.210
154 HA ARG 20 HA ARG 20 -10.842 -19.065 2.205
155 HB2 ARG 20 HB2 ARG 20 -9.110 -18.409 3.937
156 HB3 ARG 20 HB3 ARG 20 -9.305 -20.146 3.720
157 HG2 ARG 20 HG2 ARG 20 -7.030 -20.109 3.520
158 HG3 ARG 20 HG3 ARG 20 -7.391 -19.638 1.860
159 HD2 ARG 20 HD2 ARG 20 -6.590 -17.532 2.176
160 HD3 ARG 20 HD3 ARG 20 -7.405 -17.373 3.745
161 HE ARG 20 HE ARG 20 -4.798 -18.784 3.336
162 HH11 ARG 20 HH11 ARG 20 -7.268 -18.542 5.568
163 HH12 ARG 20 HH12 ARG 20 -6.280 -17.990 6.880
164 HH21 ARG 20 HH21 ARG 20 -3.468 -17.513 4.906
165 HH22 ARG 20 HH22 ARG 20 -4.128 -17.406 6.505
166 HA PRO 21 HA PRO 21 -9.733 -15.183 0.497
167 HB2 PRO 21 HB2 PRO 21 -10.455 -13.448 2.484
168 HB3 PRO 21 HB3 PRO 21 -11.623 -14.347 1.499
169 HG2 PRO 21 HG2 PRO 21 -10.868 -14.727 4.298
170 HG3 PRO 21 HG3 PRO 21 -12.309 -15.267 3.429
171 HD2 PRO 21 HD2 PRO 21 -10.005 -16.803 4.138
172 HD3 PRO 21 HD3 PRO 21 -11.445 -17.343 3.253
173 H TYR 22 H TYR 22 -8.374 -13.184 0.774
174 HA TYR 22 HA TYR 22 -6.471 -12.937 2.936
175 HB2 TYR 22 HB2 TYR 22 -4.528 -13.862 1.797
176 HB3 TYR 22 HB3 TYR 22 -5.796 -15.088 1.817
177 HD1 TYR 22 HD1 TYR 22 -7.487 -14.928 -0.263
178 HD2 TYR 22 HD2 TYR 22 -3.446 -13.471 -0.229
179 HE1 TYR 22 HE1 TYR 22 -7.425 -15.043 -2.739
180 HE2 TYR 22 HE2 TYR 22 -3.384 -13.588 -2.706
181 HH TYR 22 HH TYR 22 -4.519 -14.762 -4.517
182 H TYR 23 H TYR 23 -4.300 -11.984 1.221
183 HA TYR 23 HA TYR 23 -5.630 -9.700 -0.194
184 HB2 TYR 23 HB2 TYR 23 -3.337 -9.691 1.794
185 HB3 TYR 23 HB3 TYR 23 -3.800 -8.289 0.831
186 HD1 TYR 23 HD1 TYR 23 -4.997 -10.694 3.404
187 HD2 TYR 23 HD2 TYR 23 -5.701 -6.961 1.397
188 HE1 TYR 23 HE1 TYR 23 -6.770 -10.144 5.048
189 HE2 TYR 23 HE2 TYR 23 -7.475 -6.412 3.042
190 HH TYR 23 HH TYR 23 -8.822 -7.309 4.657
191 H PHE 24 H PHE 24 -4.673 -9.206 -2.164
192 HA PHE 24 HA PHE 24 -2.038 -10.493 -2.788
193 HB2 PHE 24 HB2 PHE 24 -3.723 -11.877 -3.774
194 HB3 PHE 24 HB3 PHE 24 -4.650 -10.479 -4.321
195 HD1 PHE 24 HD1 PHE 24 -1.355 -12.196 -4.745
196 HD2 PHE 24 HD2 PHE 24 -4.279 -9.557 -6.456
197 HE1 PHE 24 HE1 PHE 24 -0.108 -12.205 -6.889
198 HE2 PHE 24 HE2 PHE 24 -3.033 -9.565 -8.600
199 HZ PHE 24 HZ PHE 24 -0.947 -10.890 -8.817
200 H ASN 25 H ASN 25 -0.679 -8.769 -3.131
201 HA ASN 25 HA ASN 25 -1.653 -6.166 -4.025
202 HB2 ASN 25 HB2 ASN 25 0.387 -6.961 -2.511
203 HB3 ASN 25 HB3 ASN 25 1.226 -6.989 -4.060
204 HD21 ASN 25 HD21 ASN 25 -1.300 -4.755 -2.845
205 HD22 ASN 25 HD22 ASN 25 -0.378 -3.346 -3.053
206 H ARG 26 H ARG 26 -2.425 -6.222 -6.151
207 HA ARG 26 HA ARG 26 -1.339 -7.790 -8.283
208 HB2 ARG 26 HB2 ARG 26 -2.804 -6.445 -9.635
209 HB3 ARG 26 HB3 ARG 26 -3.590 -6.606 -8.065
210 HG2 ARG 26 HG2 ARG 26 -2.807 -4.412 -7.384
211 HG3 ARG 26 HG3 ARG 26 -1.848 -4.256 -8.858
212 HD2 ARG 26 HD2 ARG 26 -3.883 -4.267 -10.228
213 HD3 ARG 26 HD3 ARG 26 -4.878 -4.515 -8.780
214 HE ARG 26 HE ARG 26 -4.091 -2.301 -7.970
215 HH11 ARG 26 HH11 ARG 26 -4.718 -2.794 -11.214
216 HH12 ARG 26 HH12 ARG 26 -3.959 -1.339 -11.771
217 HH21 ARG 26 HH21 ARG 26 -2.567 -0.570 -8.689
218 HH22 ARG 26 HH22 ARG 26 -2.742 -0.082 -10.342
219 H PHE 27 H PHE 27 -0.084 -5.034 -6.701
220 HA PHE 27 HA PHE 27 1.395 -3.988 -9.026
221 HB2 PHE 27 HB2 PHE 27 0.378 -2.904 -6.766
222 HB3 PHE 27 HB3 PHE 27 2.027 -3.214 -6.223
223 HD1 PHE 27 HD1 PHE 27 3.918 -2.522 -7.960
224 HD2 PHE 27 HD2 PHE 27 -0.063 -0.909 -7.890
225 HE1 PHE 27 HE1 PHE 27 4.704 -0.527 -9.207
226 HE2 PHE 27 HE2 PHE 27 0.723 1.086 -9.138
227 HZ PHE 27 HZ PHE 27 3.107 1.275 -9.797
228 H THR 28 H THR 28 2.302 -5.380 -5.839
229 HA THR 28 HA THR 28 4.982 -6.066 -6.953
230 HB THR 28 HB THR 28 5.636 -6.177 -4.647
231 HG1 THR 28 HG1 THR 28 4.117 -7.289 -3.625
232 HG21 THR 28 HG21 THR 28 4.234 -3.929 -5.698
233 HG22 THR 28 HG22 THR 28 5.520 -3.940 -4.492
234 HG23 THR 28 HG23 THR 28 3.834 -4.056 -3.984
235 H ASN 29 H ASN 29 2.164 -7.528 -7.157
236 HA ASN 29 HA ASN 29 1.460 -9.780 -7.286
237 HB2 ASN 29 HB2 ASN 29 3.397 -9.927 -8.733
238 HB3 ASN 29 HB3 ASN 29 4.484 -10.012 -7.347
239 HD21 ASN 29 HD21 ASN 29 5.239 -12.125 -7.156
240 HD22 ASN 29 HD22 ASN 29 4.292 -13.520 -7.350
241 H GLN 30 H GLN 30 2.430 -8.456 -4.571
242 HA GLN 30 HA GLN 30 3.370 -10.541 -2.863
243 HB2 GLN 30 HB2 GLN 30 2.530 -7.823 -2.750
244 HB3 GLN 30 HB3 GLN 30 1.632 -8.695 -1.507
245 HG2 GLN 30 HG2 GLN 30 3.580 -9.387 -0.401
246 HG3 GLN 30 HG3 GLN 30 4.586 -9.137 -1.827
247 HE21 GLN 30 HE21 GLN 30 4.407 -7.896 1.103
248 HE22 GLN 30 HE22 GLN 30 4.610 -6.238 0.797
249 H SER 31 H SER 31 2.113 -11.702 -1.220
250 HA SER 31 HA SER 31 -0.806 -11.982 -1.716
251 HB2 SER 31 HB2 SER 31 -0.335 -14.532 -1.729
252 HB3 SER 31 HB3 SER 31 0.060 -13.631 -3.191
253 HG SER 31 HG SER 31 1.906 -14.653 -2.820
254 H LEU 32 H LEU 32 -0.989 -11.059 0.436
255 HA LEU 32 HA LEU 32 0.295 -12.487 2.689
256 HB2 LEU 32 HB2 LEU 32 -1.572 -10.096 2.544
257 HB3 LEU 32 HB3 LEU 32 -0.663 -10.604 3.967
258 HG LEU 32 HG LEU 32 0.497 -9.666 1.329
259 HD11 LEU 32 HD11 LEU 32 -0.321 -7.837 2.721
260 HD12 LEU 32 HD12 LEU 32 1.442 -7.863 2.784
261 HD13 LEU 32 HD13 LEU 32 0.501 -8.502 4.132
262 HD21 LEU 32 HD21 LEU 32 1.653 -11.078 3.696
263 HD22 LEU 32 HD22 LEU 32 2.618 -9.803 2.950
264 HD23 LEU 32 HD23 LEU 32 2.100 -11.191 1.993
265 H TRP 33 H TRP 33 -1.677 -12.134 4.617
266 HA TRP 33 HA TRP 33 -4.012 -13.751 3.674
267 HB2 TRP 33 HB2 TRP 33 -2.244 -14.239 6.094
268 HB3 TRP 33 HB3 TRP 33 -3.655 -15.196 5.656
269 HD1 TRP 33 HD1 TRP 33 -0.076 -15.208 5.303
270 HE1 TRP 33 HE1 TRP 33 0.695 -16.740 3.372
271 HE3 TRP 33 HE3 TRP 33 -4.520 -15.875 2.905
272 HZ2 TRP 33 HZ2 TRP 33 -0.441 -18.072 1.105
273 HZ3 TRP 33 HZ3 TRP 33 -4.656 -17.277 0.865
274 HH2 TRP 33 HH2 TRP 33 -2.623 -18.375 -0.038
275 H GLU 34 H GLU 34 -2.996 -10.959 5.083
276 HA GLU 34 HA GLU 34 -5.590 -10.549 6.449
277 HB2 GLU 34 HB2 GLU 34 -3.108 -11.206 7.777
278 HB3 GLU 34 HB3 GLU 34 -3.615 -9.580 8.237
279 HG2 GLU 34 HG2 GLU 34 -5.717 -11.694 8.178
280 HG3 GLU 34 HG3 GLU 34 -4.544 -11.760 9.494
281 H MET 35 H MET 35 -6.065 -8.274 6.658
282 HA MET 35 HA MET 35 -5.294 -6.511 4.695
283 HB2 MET 35 HB2 MET 35 -6.622 -6.453 7.215
284 HB3 MET 35 HB3 MET 35 -5.559 -5.045 7.143
285 HG2 MET 35 HG2 MET 35 -6.961 -5.538 4.622
286 HG3 MET 35 HG3 MET 35 -8.060 -5.229 5.964
287 HE1 MET 35 HE1 MET 35 -5.732 -2.694 7.630
288 HE2 MET 35 HE2 MET 35 -7.016 -3.896 7.818
289 HE3 MET 35 HE3 MET 35 -7.422 -2.213 7.493
290 HA PRO 36 HA PRO 36 -1.036 -5.771 5.731
291 HB2 PRO 36 HB2 PRO 36 -0.471 -4.243 3.539
292 HB3 PRO 36 HB3 PRO 36 -0.618 -6.009 3.472
293 HG2 PRO 36 HG2 PRO 36 -2.483 -3.930 2.539
294 HG3 PRO 36 HG3 PRO 36 -2.259 -5.588 1.970
295 HD2 PRO 36 HD2 PRO 36 -4.314 -4.647 3.649
296 HD3 PRO 36 HD3 PRO 36 -3.936 -6.341 3.281
297 H VAL 37 H VAL 37 0.363 -3.577 5.595
298 HA VAL 37 HA VAL 37 -1.348 -1.304 6.548
299 HB VAL 37 HB VAL 37 1.340 -2.138 7.675
300 HG11 VAL 37 HG11 VAL 37 0.066 -0.849 9.659
301 HG12 VAL 37 HG12 VAL 37 -0.732 -0.083 8.286
302 HG13 VAL 37 HG13 VAL 37 1.022 0.006 8.448
303 HG21 VAL 37 HG21 VAL 37 -1.463 -2.999 8.387
304 HG22 VAL 37 HG22 VAL 37 -0.194 -2.959 9.612
305 HG23 VAL 37 HG23 VAL 37 -0.020 -3.995 8.195
306 H LEU 38 H LEU 38 0.177 0.759 6.656
307 HA LEU 38 HA LEU 38 2.299 0.778 4.599
308 HB2 LEU 38 HB2 LEU 38 -0.373 1.203 3.916
309 HB3 LEU 38 HB3 LEU 38 0.295 2.831 4.049
310 HG LEU 38 HG LEU 38 2.147 1.059 2.688
311 HD11 LEU 38 HD11 LEU 38 -0.677 1.290 1.625
312 HD12 LEU 38 HD12 LEU 38 0.261 -0.180 1.890
313 HD13 LEU 38 HD13 LEU 38 0.702 0.925 0.589
314 HD21 LEU 38 HD21 LEU 38 1.323 3.757 2.691
315 HD22 LEU 38 HD22 LEU 38 0.963 3.151 1.074
316 HD23 LEU 38 HD23 LEU 38 2.603 3.040 1.712
317 H GLY 39 H GLY 39 3.185 3.097 4.402
318 HA2 GLY 39 HA2 GLY 39 2.882 5.357 5.713
319 HA3 GLY 39 HA3 GLY 39 3.178 4.327 7.114
320 H GLN 40 H GLN 40 5.050 2.653 5.395
321 HA GLN 40 HA GLN 40 7.500 4.009 6.111
322 HB2 GLN 40 HB2 GLN 40 6.676 1.546 4.595
323 HB3 GLN 40 HB3 GLN 40 8.366 2.049 4.580
324 HG2 GLN 40 HG2 GLN 40 7.281 2.181 7.266
325 HG3 GLN 40 HG3 GLN 40 7.075 0.566 6.588
326 HE21 GLN 40 HE21 GLN 40 9.699 3.020 6.204
327 HE22 GLN 40 HE22 GLN 40 10.948 1.964 6.659
328 H HIS 41 H HIS 41 8.531 5.575 4.937
329 HA HIS 41 HA HIS 41 7.617 6.200 2.199
330 HB2 HIS 41 HB2 HIS 41 8.923 7.495 4.458
331 HB3 HIS 41 HB3 HIS 41 9.755 7.855 2.944
332 HD1 HIS 41 HD1 HIS 41 6.459 8.297 4.695
333 HD2 HIS 41 HD2 HIS 41 8.236 9.379 1.082
334 HE1 HIS 41 HE1 HIS 41 4.925 10.006 3.626
335 H ASP 42 H ASP 42 8.519 4.838 0.661
336 HA ASP 42 HA ASP 42 11.178 3.690 0.920
337 HB2 ASP 42 HB2 ASP 42 9.181 3.928 -1.354
338 HB3 ASP 42 HB3 ASP 42 10.632 2.927 -1.413
339 H VAL 43 H VAL 43 12.287 4.008 -1.601
340 HA VAL 43 HA VAL 43 13.597 6.571 -1.402
341 HB VAL 43 HB VAL 43 13.467 4.654 -3.749
342 HG11 VAL 43 HG11 VAL 43 15.695 5.492 -4.234
343 HG12 VAL 43 HG12 VAL 43 15.699 6.449 -2.752
344 HG13 VAL 43 HG13 VAL 43 14.606 6.869 -4.071
345 HG21 VAL 43 HG21 VAL 43 14.045 3.208 -2.009
346 HG22 VAL 43 HG22 VAL 43 14.843 4.479 -1.083
347 HG23 VAL 43 HG23 VAL 43 15.630 3.798 -2.506
348 H ILE 44 H ILE 44 13.258 8.453 -2.622
349 HA ILE 44 HA ILE 44 10.663 9.108 -3.548
350 HB ILE 44 HB ILE 44 13.393 10.226 -4.270
351 HG12 ILE 44 HG12 ILE 44 11.390 11.088 -2.158
352 HG13 ILE 44 HG13 ILE 44 12.835 10.132 -1.829
353 HG21 ILE 44 HG21 ILE 44 10.742 11.679 -4.320
354 HG22 ILE 44 HG22 ILE 44 11.396 10.878 -5.749
355 HG23 ILE 44 HG23 ILE 44 12.285 12.202 -4.997
356 HD11 ILE 44 HD11 ILE 44 12.612 12.978 -2.093
357 HD12 ILE 44 HD12 ILE 44 13.640 12.372 -3.391
358 HD13 ILE 44 HD13 ILE 44 14.045 12.023 -1.711
359 H SER 45 H SER 45 9.744 9.142 -5.639
360 HA SER 45 HA SER 45 10.919 7.250 -7.581
361 HB2 SER 45 HB2 SER 45 8.684 6.863 -7.668
362 HB3 SER 45 HB3 SER 45 8.324 8.380 -6.850
363 HG SER 45 HG SER 45 7.917 9.243 -8.718
364 H ASP 46 H ASP 46 11.622 7.854 -9.661
365 HA ASP 46 HA ASP 46 12.589 9.298 -11.266
366 HB2 ASP 46 HB2 ASP 46 10.052 10.644 -10.335
367 HB3 ASP 46 HB3 ASP 46 11.043 11.359 -11.608
368 HA PRO 47 HA PRO 47 14.292 11.962 -7.793
369 HB2 PRO 47 HB2 PRO 47 16.736 10.748 -7.599
370 HB3 PRO 47 HB3 PRO 47 15.324 10.233 -6.655
371 HG2 PRO 47 HG2 PRO 47 16.492 9.040 -9.116
372 HG3 PRO 47 HG3 PRO 47 15.778 8.245 -7.704
373 HD2 PRO 47 HD2 PRO 47 14.474 8.577 -10.084
374 HD3 PRO 47 HD3 PRO 47 13.651 8.426 -8.517
Start of MODEL 12
1 H LEU 1 H LEU 1 -9.249 -2.235 4.551
2 HA LEU 1 HA LEU 1 -7.615 -1.747 3.092
3 HB2 LEU 1 HB2 LEU 1 -9.856 -2.450 1.233
4 HB3 LEU 1 HB3 LEU 1 -8.462 -1.600 0.564
5 HG LEU 1 HG LEU 1 -8.379 -4.195 2.130
6 HD11 LEU 1 HD11 LEU 1 -7.799 -3.574 -0.784
7 HD12 LEU 1 HD12 LEU 1 -9.216 -4.433 -0.183
8 HD13 LEU 1 HD13 LEU 1 -7.613 -5.149 -0.013
9 HD21 LEU 1 HD21 LEU 1 -5.933 -3.736 0.847
10 HD22 LEU 1 HD22 LEU 1 -6.247 -3.595 2.577
11 HD23 LEU 1 HD23 LEU 1 -6.366 -2.173 1.540
12 HA PRO 2 HA PRO 2 -9.190 2.530 3.335
13 HB2 PRO 2 HB2 PRO 2 -6.894 3.550 4.421
14 HB3 PRO 2 HB3 PRO 2 -8.170 2.789 5.390
15 HG2 PRO 2 HG2 PRO 2 -5.571 1.672 4.471
16 HG3 PRO 2 HG3 PRO 2 -6.420 1.440 6.007
17 HD2 PRO 2 HD2 PRO 2 -6.410 -0.399 3.986
18 HD3 PRO 2 HD3 PRO 2 -7.714 -0.255 5.184
19 H GLU 3 H GLU 3 -8.249 4.544 2.327
20 HA GLU 3 HA GLU 3 -7.419 4.218 -0.325
21 HB2 GLU 3 HB2 GLU 3 -8.306 6.276 0.782
22 HB3 GLU 3 HB3 GLU 3 -6.746 6.485 1.578
23 HG2 GLU 3 HG2 GLU 3 -5.992 6.171 -1.042
24 HG3 GLU 3 HG3 GLU 3 -7.519 7.037 -1.212
25 H GLU 4 H GLU 4 -5.458 4.246 2.601
26 HA GLU 4 HA GLU 4 -2.890 4.714 1.500
27 HB2 GLU 4 HB2 GLU 4 -4.110 3.479 3.890
28 HB3 GLU 4 HB3 GLU 4 -2.475 2.920 3.532
29 HG2 GLU 4 HG2 GLU 4 -1.637 5.199 3.520
30 HG3 GLU 4 HG3 GLU 4 -3.272 5.839 3.700
31 H LEU 5 H LEU 5 -4.629 1.629 1.940
32 HA LEU 5 HA LEU 5 -2.536 0.047 0.683
33 HB2 LEU 5 HB2 LEU 5 -5.418 -0.409 1.487
34 HB3 LEU 5 HB3 LEU 5 -4.423 -1.681 0.777
35 HG LEU 5 HG LEU 5 -3.827 -0.148 3.324
36 HD11 LEU 5 HD11 LEU 5 -4.323 -3.108 2.933
37 HD12 LEU 5 HD12 LEU 5 -5.605 -1.974 3.360
38 HD13 LEU 5 HD13 LEU 5 -4.244 -2.220 4.455
39 HD21 LEU 5 HD21 LEU 5 -1.691 -0.580 2.524
40 HD22 LEU 5 HD22 LEU 5 -2.212 -1.987 1.598
41 HD23 LEU 5 HD23 LEU 5 -2.021 -2.104 3.347
42 H VAL 6 H VAL 6 -5.673 1.356 -0.361
43 HA VAL 6 HA VAL 6 -5.831 0.152 -2.922
44 HB VAL 6 HB VAL 6 -6.749 2.770 -1.724
45 HG11 VAL 6 HG11 VAL 6 -6.914 3.535 -3.866
46 HG12 VAL 6 HG12 VAL 6 -8.318 2.469 -3.939
47 HG13 VAL 6 HG13 VAL 6 -6.760 1.918 -4.557
48 HG21 VAL 6 HG21 VAL 6 -8.802 1.683 -1.458
49 HG22 VAL 6 HG22 VAL 6 -7.665 0.361 -1.194
50 HG23 VAL 6 HG23 VAL 6 -8.472 0.532 -2.753
51 H HIS 7 H HIS 7 -3.949 2.904 -1.780
52 HA HIS 7 HA HIS 7 -3.195 3.988 -4.328
53 HB2 HIS 7 HB2 HIS 7 -2.543 4.230 -1.497
54 HB3 HIS 7 HB3 HIS 7 -1.103 4.396 -2.503
55 HD1 HIS 7 HD1 HIS 7 -0.748 6.654 -3.503
56 HD2 HIS 7 HD2 HIS 7 -4.744 6.036 -2.491
57 HE1 HIS 7 HE1 HIS 7 -1.953 8.830 -3.980
58 H ALA 8 H ALA 8 -1.660 1.562 -2.203
59 HA ALA 8 HA ALA 8 0.645 1.095 -3.854
60 HB1 ALA 8 HB1 ALA 8 -0.286 0.367 -1.370
61 HB2 ALA 8 HB2 ALA 8 1.138 -0.329 -2.142
62 HB3 ALA 8 HB3 ALA 8 -0.419 -1.148 -2.264
63 H GLY 9 H GLY 9 -2.002 -1.222 -3.289
64 HA2 GLY 9 HA2 GLY 9 -3.126 -1.671 -5.704
65 HA3 GLY 9 HA3 GLY 9 -1.534 -2.386 -5.958
66 H TRP 10 H TRP 10 -3.413 -2.407 -2.942
67 HA TRP 10 HA TRP 10 -3.135 -5.354 -2.846
68 HB2 TRP 10 HB2 TRP 10 -3.945 -3.140 -0.964
69 HB3 TRP 10 HB3 TRP 10 -4.207 -4.830 -0.533
70 HD1 TRP 10 HD1 TRP 10 -1.542 -2.206 -0.818
71 HE1 TRP 10 HE1 TRP 10 0.729 -3.188 -0.098
72 HE3 TRP 10 HE3 TRP 10 -2.770 -7.159 -0.531
73 HZ2 TRP 10 HZ2 TRP 10 1.875 -5.734 0.518
74 HZ3 TRP 10 HZ3 TRP 10 -1.069 -8.837 0.123
75 HH2 TRP 10 HH2 TRP 10 1.250 -8.132 0.647
76 H GLU 11 H GLU 11 -5.036 -6.705 -2.376
77 HA GLU 11 HA GLU 11 -7.726 -5.597 -2.730
78 HB2 GLU 11 HB2 GLU 11 -8.027 -7.056 -4.834
79 HB3 GLU 11 HB3 GLU 11 -7.084 -5.578 -5.025
80 HG2 GLU 11 HG2 GLU 11 -5.073 -6.717 -5.205
81 HG3 GLU 11 HG3 GLU 11 -5.650 -8.094 -4.265
82 H LYS 12 H LYS 12 -9.002 -6.876 -1.452
83 HA LYS 12 HA LYS 12 -8.043 -9.410 -0.392
84 HB2 LYS 12 HB2 LYS 12 -9.491 -7.667 0.747
85 HB3 LYS 12 HB3 LYS 12 -10.816 -8.187 -0.294
86 HG2 LYS 12 HG2 LYS 12 -10.126 -10.590 0.603
87 HG3 LYS 12 HG3 LYS 12 -9.483 -9.651 1.950
88 HD2 LYS 12 HD2 LYS 12 -11.811 -8.457 1.896
89 HD3 LYS 12 HD3 LYS 12 -12.328 -9.891 1.006
90 HE2 LYS 12 HE2 LYS 12 -12.085 -11.283 2.836
91 HE3 LYS 12 HE3 LYS 12 -10.760 -10.321 3.520
92 HZ1 LYS 12 HZ1 LYS 12 -13.653 -9.682 3.497
93 HZ2 LYS 12 HZ2 LYS 12 -12.472 -8.502 3.789
94 HZ3 LYS 12 HZ3 LYS 12 -12.625 -9.827 4.841
95 H CYS 13 H CYS 13 -8.408 -11.427 -1.243
96 HA CYS 13 HA CYS 13 -10.710 -11.839 -3.088
97 HB2 CYS 13 HB2 CYS 13 -7.812 -12.491 -3.712
98 HB3 CYS 13 HB3 CYS 13 -9.190 -12.822 -4.761
99 HG CYS 13 HG CYS 13 -9.055 -10.493 -5.573
100 H TRP 14 H TRP 14 -10.709 -14.317 -3.700
101 HA TRP 14 HA TRP 14 -10.191 -15.845 -1.176
102 HB2 TRP 14 HB2 TRP 14 -12.514 -15.680 -1.912
103 HB3 TRP 14 HB3 TRP 14 -12.076 -16.247 -3.523
104 HD1 TRP 14 HD1 TRP 14 -11.516 -18.811 -3.830
105 HE1 TRP 14 HE1 TRP 14 -11.984 -20.877 -2.361
106 HE3 TRP 14 HE3 TRP 14 -12.708 -16.513 0.571
107 HZ2 TRP 14 HZ2 TRP 14 -12.761 -21.476 0.326
108 HZ3 TRP 14 HZ3 TRP 14 -13.308 -17.854 2.568
109 HH2 TRP 14 HH2 TRP 14 -13.335 -20.330 2.451
110 H SER 15 H SER 15 -8.138 -16.771 -1.451
111 HA SER 15 HA SER 15 -7.128 -17.698 -4.008
112 HB2 SER 15 HB2 SER 15 -5.962 -16.921 -1.783
113 HB3 SER 15 HB3 SER 15 -6.150 -18.608 -1.310
114 HG SER 15 HG SER 15 -5.034 -19.177 -3.221
115 H ARG 16 H ARG 16 -7.947 -19.511 -4.989
116 HA ARG 16 HA ARG 16 -9.545 -21.500 -3.681
117 HB2 ARG 16 HB2 ARG 16 -8.204 -21.067 -6.311
118 HB3 ARG 16 HB3 ARG 16 -8.737 -22.707 -5.943
119 HG2 ARG 16 HG2 ARG 16 -10.799 -20.850 -5.181
120 HG3 ARG 16 HG3 ARG 16 -10.327 -20.545 -6.854
121 HD2 ARG 16 HD2 ARG 16 -12.108 -22.247 -6.789
122 HD3 ARG 16 HD3 ARG 16 -10.591 -23.001 -7.322
123 HE ARG 16 HE ARG 16 -10.342 -23.433 -4.710
124 HH11 ARG 16 HH11 ARG 16 -12.659 -24.350 -6.994
125 HH12 ARG 16 HH12 ARG 16 -13.694 -25.156 -5.864
126 HH21 ARG 16 HH21 ARG 16 -11.902 -24.122 -3.081
127 HH22 ARG 16 HH22 ARG 16 -13.266 -25.027 -3.647
128 H ARG 17 H ARG 17 -6.076 -21.182 -4.130
129 HA ARG 17 HA ARG 17 -5.349 -23.937 -3.728
130 HB2 ARG 17 HB2 ARG 17 -4.092 -21.246 -3.712
131 HB3 ARG 17 HB3 ARG 17 -3.215 -22.510 -2.848
132 HG2 ARG 17 HG2 ARG 17 -3.489 -23.959 -4.918
133 HG3 ARG 17 HG3 ARG 17 -4.072 -22.518 -5.752
134 HD2 ARG 17 HD2 ARG 17 -1.968 -21.681 -5.966
135 HD3 ARG 17 HD3 ARG 17 -1.569 -22.053 -4.276
136 HE ARG 17 HE ARG 17 -1.369 -24.489 -5.098
137 HH11 ARG 17 HH11 ARG 17 -1.923 -22.712 -7.813
138 HH12 ARG 17 HH12 ARG 17 -0.439 -23.098 -8.619
139 HH21 ARG 17 HH21 ARG 17 1.001 -24.578 -5.834
140 HH22 ARG 17 HH22 ARG 17 1.215 -24.153 -7.499
141 H GLU 18 H GLU 18 -5.295 -21.177 -1.460
142 HA GLU 18 HA GLU 18 -4.887 -22.917 0.860
143 HB2 GLU 18 HB2 GLU 18 -4.745 -20.142 0.109
144 HB3 GLU 18 HB3 GLU 18 -5.717 -20.298 1.571
145 HG2 GLU 18 HG2 GLU 18 -2.912 -21.357 1.136
146 HG3 GLU 18 HG3 GLU 18 -3.392 -20.057 2.229
147 H ASN 19 H ASN 19 -7.570 -21.960 -0.973
148 HA ASN 19 HA ASN 19 -9.892 -22.214 -0.641
149 HB2 ASN 19 HB2 ASN 19 -9.076 -24.439 0.107
150 HB3 ASN 19 HB3 ASN 19 -8.882 -23.803 1.739
151 HD21 ASN 19 HD21 ASN 19 -11.219 -24.956 -0.603
152 HD22 ASN 19 HD22 ASN 19 -12.579 -24.842 0.408
153 H ARG 20 H ARG 20 -8.962 -19.792 0.195
154 HA ARG 20 HA ARG 20 -10.869 -18.993 2.210
155 HB2 ARG 20 HB2 ARG 20 -9.120 -18.365 3.918
156 HB3 ARG 20 HB3 ARG 20 -9.298 -20.102 3.690
157 HG2 ARG 20 HG2 ARG 20 -7.145 -20.283 3.057
158 HG3 ARG 20 HG3 ARG 20 -7.388 -19.077 1.792
159 HD2 ARG 20 HD2 ARG 20 -6.364 -17.461 3.017
160 HD3 ARG 20 HD3 ARG 20 -7.287 -17.886 4.473
161 HE ARG 20 HE ARG 20 -5.365 -19.948 3.868
162 HH11 ARG 20 HH11 ARG 20 -6.133 -17.274 5.809
163 HH12 ARG 20 HH12 ARG 20 -4.565 -17.146 6.531
164 HH21 ARG 20 HH21 ARG 20 -3.142 -19.575 4.506
165 HH22 ARG 20 HH22 ARG 20 -2.872 -18.449 5.794
166 HA PRO 21 HA PRO 21 -9.700 -15.133 0.466
167 HB2 PRO 21 HB2 PRO 21 -10.428 -13.386 2.441
168 HB3 PRO 21 HB3 PRO 21 -11.595 -14.288 1.459
169 HG2 PRO 21 HG2 PRO 21 -10.861 -14.647 4.264
170 HG3 PRO 21 HG3 PRO 21 -12.289 -15.207 3.387
171 HD2 PRO 21 HD2 PRO 21 -9.958 -16.710 4.119
172 HD3 PRO 21 HD3 PRO 21 -11.408 -17.279 3.267
173 H TYR 22 H TYR 22 -8.340 -13.124 0.775
174 HA TYR 22 HA TYR 22 -6.447 -12.913 2.950
175 HB2 TYR 22 HB2 TYR 22 -4.496 -13.806 1.779
176 HB3 TYR 22 HB3 TYR 22 -5.750 -15.044 1.831
177 HD1 TYR 22 HD1 TYR 22 -7.470 -14.941 -0.218
178 HD2 TYR 22 HD2 TYR 22 -3.465 -13.386 -0.269
179 HE1 TYR 22 HE1 TYR 22 -7.454 -15.064 -2.695
180 HE2 TYR 22 HE2 TYR 22 -3.450 -13.510 -2.747
181 HH TYR 22 HH TYR 22 -4.568 -14.109 -4.562
182 H TYR 23 H TYR 23 -4.266 -11.990 1.152
183 HA TYR 23 HA TYR 23 -5.593 -9.662 -0.185
184 HB2 TYR 23 HB2 TYR 23 -3.323 -9.712 1.825
185 HB3 TYR 23 HB3 TYR 23 -3.708 -8.296 0.849
186 HD1 TYR 23 HD1 TYR 23 -5.797 -7.057 1.180
187 HD2 TYR 23 HD2 TYR 23 -4.840 -10.489 3.580
188 HE1 TYR 23 HE1 TYR 23 -7.593 -6.444 2.775
189 HE2 TYR 23 HE2 TYR 23 -6.637 -9.876 5.173
190 HH TYR 23 HH TYR 23 -8.892 -7.274 4.486
191 H PHE 24 H PHE 24 -4.817 -9.438 -2.248
192 HA PHE 24 HA PHE 24 -2.150 -10.661 -2.879
193 HB2 PHE 24 HB2 PHE 24 -3.961 -11.915 -3.873
194 HB3 PHE 24 HB3 PHE 24 -4.732 -10.438 -4.454
195 HD1 PHE 24 HD1 PHE 24 -1.403 -12.171 -4.649
196 HD2 PHE 24 HD2 PHE 24 -4.390 -9.843 -6.678
197 HE1 PHE 24 HE1 PHE 24 -0.082 -12.301 -6.743
198 HE2 PHE 24 HE2 PHE 24 -3.069 -9.973 -8.772
199 HZ PHE 24 HZ PHE 24 -0.915 -11.202 -8.805
200 H ASN 25 H ASN 25 -0.726 -8.974 -3.135
201 HA ASN 25 HA ASN 25 -1.602 -6.312 -3.968
202 HB2 ASN 25 HB2 ASN 25 0.350 -7.164 -2.405
203 HB3 ASN 25 HB3 ASN 25 1.244 -7.263 -3.917
204 HD21 ASN 25 HD21 ASN 25 -1.205 -4.869 -2.858
205 HD22 ASN 25 HD22 ASN 25 -0.193 -3.519 -3.042
206 H ARG 26 H ARG 26 -2.309 -6.278 -6.122
207 HA ARG 26 HA ARG 26 -1.160 -7.817 -8.255
208 HB2 ARG 26 HB2 ARG 26 -2.576 -6.421 -9.628
209 HB3 ARG 26 HB3 ARG 26 -3.431 -6.694 -8.109
210 HG2 ARG 26 HG2 ARG 26 -2.447 -4.513 -7.279
211 HG3 ARG 26 HG3 ARG 26 -1.879 -4.225 -8.925
212 HD2 ARG 26 HD2 ARG 26 -4.391 -4.733 -9.570
213 HD3 ARG 26 HD3 ARG 26 -4.695 -4.280 -7.881
214 HE ARG 26 HE ARG 26 -2.889 -2.397 -9.097
215 HH11 ARG 26 HH11 ARG 26 -6.153 -3.478 -9.309
216 HH12 ARG 26 HH12 ARG 26 -6.800 -1.895 -9.581
217 HH21 ARG 26 HH21 ARG 26 -3.732 -0.303 -9.316
218 HH22 ARG 26 HH22 ARG 26 -5.431 -0.098 -9.586
219 H PHE 27 H PHE 27 0.013 -5.106 -6.556
220 HA PHE 27 HA PHE 27 1.547 -3.947 -8.787
221 HB2 PHE 27 HB2 PHE 27 0.478 -2.980 -6.503
222 HB3 PHE 27 HB3 PHE 27 2.109 -3.325 -5.928
223 HD1 PHE 27 HD1 PHE 27 4.088 -2.368 -7.215
224 HD2 PHE 27 HD2 PHE 27 0.039 -1.102 -7.882
225 HE1 PHE 27 HE1 PHE 27 4.915 -0.310 -8.324
226 HE2 PHE 27 HE2 PHE 27 0.866 0.956 -8.992
227 HZ PHE 27 HZ PHE 27 3.304 1.352 -9.213
228 H THR 28 H THR 28 2.374 -5.516 -5.666
229 HA THR 28 HA THR 28 5.085 -6.137 -6.744
230 HB THR 28 HB THR 28 5.625 -6.475 -4.383
231 HG1 THR 28 HG1 THR 28 3.881 -6.174 -2.863
232 HG21 THR 28 HG21 THR 28 5.419 -4.257 -3.688
233 HG22 THR 28 HG22 THR 28 3.796 -4.095 -4.357
234 HG23 THR 28 HG23 THR 28 5.194 -4.109 -5.431
235 H ASN 29 H ASN 29 2.244 -7.572 -7.031
236 HA ASN 29 HA ASN 29 1.528 -9.809 -7.285
237 HB2 ASN 29 HB2 ASN 29 3.488 -9.819 -8.746
238 HB3 ASN 29 HB3 ASN 29 4.548 -10.102 -7.365
239 HD21 ASN 29 HD21 ASN 29 4.705 -12.258 -6.538
240 HD22 ASN 29 HD22 ASN 29 3.919 -13.580 -7.256
241 H GLN 30 H GLN 30 2.509 -8.667 -4.497
242 HA GLN 30 HA GLN 30 3.463 -10.892 -2.963
243 HB2 GLN 30 HB2 GLN 30 2.546 -8.165 -2.630
244 HB3 GLN 30 HB3 GLN 30 1.930 -9.185 -1.329
245 HG2 GLN 30 HG2 GLN 30 4.674 -9.871 -1.861
246 HG3 GLN 30 HG3 GLN 30 4.539 -8.134 -1.599
247 HE21 GLN 30 HE21 GLN 30 4.684 -11.152 0.008
248 HE22 GLN 30 HE22 GLN 30 4.211 -10.617 1.548
249 H SER 31 H SER 31 2.175 -11.994 -1.257
250 HA SER 31 HA SER 31 -0.744 -12.226 -1.772
251 HB2 SER 31 HB2 SER 31 -0.131 -14.835 -1.612
252 HB3 SER 31 HB3 SER 31 -0.104 -13.979 -3.151
253 HG SER 31 HG SER 31 2.151 -14.108 -1.450
254 H LEU 32 H LEU 32 -0.865 -11.236 0.369
255 HA LEU 32 HA LEU 32 0.371 -12.645 2.650
256 HB2 LEU 32 HB2 LEU 32 -1.492 -10.253 2.480
257 HB3 LEU 32 HB3 LEU 32 -0.536 -10.724 3.884
258 HG LEU 32 HG LEU 32 0.520 -9.809 1.195
259 HD11 LEU 32 HD11 LEU 32 1.519 -7.999 2.581
260 HD12 LEU 32 HD12 LEU 32 0.697 -8.654 3.997
261 HD13 LEU 32 HD13 LEU 32 -0.243 -7.994 2.657
262 HD21 LEU 32 HD21 LEU 32 2.741 -9.975 2.549
263 HD22 LEU 32 HD22 LEU 32 2.064 -11.452 1.864
264 HD23 LEU 32 HD23 LEU 32 1.844 -11.092 3.576
265 H TRP 33 H TRP 33 -1.543 -12.308 4.581
266 HA TRP 33 HA TRP 33 -3.952 -13.827 3.665
267 HB2 TRP 33 HB2 TRP 33 -2.065 -14.433 5.961
268 HB3 TRP 33 HB3 TRP 33 -3.589 -15.269 5.694
269 HD1 TRP 33 HD1 TRP 33 -0.070 -15.511 4.910
270 HE1 TRP 33 HE1 TRP 33 0.360 -17.158 2.967
271 HE3 TRP 33 HE3 TRP 33 -4.821 -16.023 3.143
272 HZ2 TRP 33 HZ2 TRP 33 -1.130 -18.512 0.932
273 HZ3 TRP 33 HZ3 TRP 33 -5.294 -17.494 1.204
274 HH2 TRP 33 HH2 TRP 33 -3.457 -18.738 0.098
275 H GLU 34 H GLU 34 -2.806 -11.101 5.079
276 HA GLU 34 HA GLU 34 -5.333 -10.629 6.551
277 HB2 GLU 34 HB2 GLU 34 -2.911 -11.458 7.792
278 HB3 GLU 34 HB3 GLU 34 -3.123 -9.749 8.178
279 HG2 GLU 34 HG2 GLU 34 -5.095 -11.997 8.666
280 HG3 GLU 34 HG3 GLU 34 -4.274 -11.013 9.878
281 H MET 35 H MET 35 -5.809 -8.382 6.647
282 HA MET 35 HA MET 35 -5.012 -6.622 4.702
283 HB2 MET 35 HB2 MET 35 -6.227 -6.523 7.336
284 HB3 MET 35 HB3 MET 35 -5.313 -5.048 7.012
285 HG2 MET 35 HG2 MET 35 -6.641 -5.615 4.611
286 HG3 MET 35 HG3 MET 35 -7.833 -5.927 5.870
287 HE1 MET 35 HE1 MET 35 -8.142 -2.709 7.833
288 HE2 MET 35 HE2 MET 35 -7.405 -4.286 8.147
289 HE3 MET 35 HE3 MET 35 -8.961 -4.184 7.326
290 HA PRO 36 HA PRO 36 -0.744 -5.912 5.724
291 HB2 PRO 36 HB2 PRO 36 -0.201 -4.270 3.610
292 HB3 PRO 36 HB3 PRO 36 -0.342 -6.031 3.452
293 HG2 PRO 36 HG2 PRO 36 -2.252 -3.911 2.689
294 HG3 PRO 36 HG3 PRO 36 -1.978 -5.501 1.968
295 HD2 PRO 36 HD2 PRO 36 -4.077 -4.818 3.674
296 HD3 PRO 36 HD3 PRO 36 -3.565 -6.468 3.263
297 H VAL 37 H VAL 37 0.501 -3.450 5.182
298 HA VAL 37 HA VAL 37 -1.164 -1.431 6.639
299 HB VAL 37 HB VAL 37 1.747 -2.028 7.222
300 HG11 VAL 37 HG11 VAL 37 0.749 -1.022 9.488
301 HG12 VAL 37 HG12 VAL 37 -0.406 -0.303 8.367
302 HG13 VAL 37 HG13 VAL 37 1.317 0.025 8.188
303 HG21 VAL 37 HG21 VAL 37 0.697 -4.066 7.801
304 HG22 VAL 37 HG22 VAL 37 -0.772 -3.256 8.343
305 HG23 VAL 37 HG23 VAL 37 0.698 -3.157 9.312
306 H LEU 38 H LEU 38 -0.182 0.793 6.437
307 HA LEU 38 HA LEU 38 1.772 1.185 4.252
308 HB2 LEU 38 HB2 LEU 38 -1.005 1.055 3.785
309 HB3 LEU 38 HB3 LEU 38 -0.602 2.772 3.737
310 HG LEU 38 HG LEU 38 -0.355 1.745 1.506
311 HD11 LEU 38 HD11 LEU 38 2.390 2.314 2.640
312 HD12 LEU 38 HD12 LEU 38 1.194 3.584 2.380
313 HD13 LEU 38 HD13 LEU 38 1.798 2.648 1.013
314 HD21 LEU 38 HD21 LEU 38 1.867 0.091 2.730
315 HD22 LEU 38 HD22 LEU 38 1.214 -0.025 1.096
316 HD23 LEU 38 HD23 LEU 38 0.240 -0.538 2.474
317 H GLY 39 H GLY 39 2.488 3.440 4.154
318 HA2 GLY 39 HA2 GLY 39 1.850 5.762 5.168
319 HA3 GLY 39 HA3 GLY 39 1.954 4.894 6.701
320 H GLN 40 H GLN 40 4.019 4.743 3.786
321 HA GLN 40 HA GLN 40 6.428 4.796 5.455
322 HB2 GLN 40 HB2 GLN 40 6.073 4.923 2.445
323 HB3 GLN 40 HB3 GLN 40 7.517 4.415 3.316
324 HG2 GLN 40 HG2 GLN 40 6.102 2.585 4.369
325 HG3 GLN 40 HG3 GLN 40 4.842 3.008 3.208
326 HE21 GLN 40 HE21 GLN 40 7.007 3.709 1.156
327 HE22 GLN 40 HE22 GLN 40 7.535 2.205 0.573
328 H HIS 41 H HIS 41 6.343 6.941 6.402
329 HA HIS 41 HA HIS 41 6.592 9.304 6.425
330 HB2 HIS 41 HB2 HIS 41 8.773 8.113 5.607
331 HB3 HIS 41 HB3 HIS 41 8.354 8.792 4.034
332 HD1 HIS 41 HD1 HIS 41 9.704 10.862 3.715
333 HD2 HIS 41 HD2 HIS 41 8.293 10.546 7.625
334 HE1 HIS 41 HE1 HIS 41 10.431 12.973 4.911
335 H ASP 42 H ASP 42 4.324 8.400 4.828
336 HA ASP 42 HA ASP 42 4.372 10.012 2.352
337 HB2 ASP 42 HB2 ASP 42 2.461 8.137 3.745
338 HB3 ASP 42 HB3 ASP 42 1.939 9.090 2.355
339 H VAL 43 H VAL 43 1.834 11.044 2.254
340 HA VAL 43 HA VAL 43 0.555 12.913 2.920
341 HB VAL 43 HB VAL 43 1.489 11.782 5.575
342 HG11 VAL 43 HG11 VAL 43 -0.846 13.650 5.133
343 HG12 VAL 43 HG12 VAL 43 0.751 14.238 5.594
344 HG13 VAL 43 HG13 VAL 43 -0.130 13.148 6.664
345 HG21 VAL 43 HG21 VAL 43 -1.185 11.582 4.161
346 HG22 VAL 43 HG22 VAL 43 -0.679 10.708 5.606
347 HG23 VAL 43 HG23 VAL 43 0.071 10.351 4.051
348 H ILE 44 H ILE 44 0.902 15.135 3.281
349 HA ILE 44 HA ILE 44 3.602 16.115 3.197
350 HB ILE 44 HB ILE 44 0.961 17.465 3.859
351 HG12 ILE 44 HG12 ILE 44 2.389 17.472 1.201
352 HG13 ILE 44 HG13 ILE 44 1.288 16.161 1.629
353 HG21 ILE 44 HG21 ILE 44 3.720 18.492 3.240
354 HG22 ILE 44 HG22 ILE 44 2.578 19.044 4.467
355 HG23 ILE 44 HG23 ILE 44 2.306 19.434 2.769
356 HD11 ILE 44 HD11 ILE 44 -0.441 17.949 2.166
357 HD12 ILE 44 HD12 ILE 44 -0.029 17.787 0.459
358 HD13 ILE 44 HD13 ILE 44 0.648 19.110 1.409
359 H SER 45 H SER 45 4.986 16.495 4.886
360 HA SER 45 HA SER 45 3.988 17.308 7.527
361 HB2 SER 45 HB2 SER 45 4.910 15.299 8.647
362 HB3 SER 45 HB3 SER 45 3.651 14.861 7.497
363 HG SER 45 HG SER 45 5.463 13.537 7.224
364 H ASP 46 H ASP 46 5.531 18.991 6.342
365 HA ASP 46 HA ASP 46 8.404 18.348 6.634
366 HB2 ASP 46 HB2 ASP 46 6.686 20.481 5.437
367 HB3 ASP 46 HB3 ASP 46 8.341 20.913 5.867
368 HA PRO 47 HA PRO 47 8.213 20.045 10.770
369 HB2 PRO 47 HB2 PRO 47 10.851 19.623 11.361
370 HB3 PRO 47 HB3 PRO 47 9.633 18.333 11.407
371 HG2 PRO 47 HG2 PRO 47 11.643 18.962 9.304
372 HG3 PRO 47 HG3 PRO 47 11.086 17.391 9.900
373 HD2 PRO 47 HD2 PRO 47 10.232 18.503 7.561
374 HD3 PRO 47 HD3 PRO 47 9.257 17.370 8.524
Start of MODEL 13
1 H LEU 1 H LEU 1 -9.521 -3.308 3.243
2 HA LEU 1 HA LEU 1 -7.392 -1.909 3.054
3 HB2 LEU 1 HB2 LEU 1 -9.505 -2.477 0.975
4 HB3 LEU 1 HB3 LEU 1 -7.933 -1.828 0.510
5 HG LEU 1 HG LEU 1 -8.249 -4.307 2.216
6 HD11 LEU 1 HD11 LEU 1 -8.424 -5.618 0.358
7 HD12 LEU 1 HD12 LEU 1 -7.378 -4.569 -0.599
8 HD13 LEU 1 HD13 LEU 1 -9.078 -4.156 -0.381
9 HD21 LEU 1 HD21 LEU 1 -5.868 -4.307 0.712
10 HD22 LEU 1 HD22 LEU 1 -6.022 -4.015 2.444
11 HD23 LEU 1 HD23 LEU 1 -6.037 -2.659 1.316
12 HA PRO 2 HA PRO 2 -9.002 2.342 3.232
13 HB2 PRO 2 HB2 PRO 2 -6.724 3.400 4.317
14 HB3 PRO 2 HB3 PRO 2 -7.984 2.615 5.288
15 HG2 PRO 2 HG2 PRO 2 -5.363 1.552 4.370
16 HG3 PRO 2 HG3 PRO 2 -6.212 1.295 5.902
17 HD2 PRO 2 HD2 PRO 2 -6.157 -0.529 3.860
18 HD3 PRO 2 HD3 PRO 2 -7.454 -0.433 5.070
19 H GLU 3 H GLU 3 -8.048 4.379 2.228
20 HA GLU 3 HA GLU 3 -7.232 4.043 -0.428
21 HB2 GLU 3 HB2 GLU 3 -8.071 6.101 0.850
22 HB3 GLU 3 HB3 GLU 3 -6.398 6.340 1.356
23 HG2 GLU 3 HG2 GLU 3 -6.432 7.621 -0.578
24 HG3 GLU 3 HG3 GLU 3 -5.919 6.067 -1.236
25 H GLU 4 H GLU 4 -5.224 4.203 2.487
26 HA GLU 4 HA GLU 4 -2.675 4.575 1.307
27 HB2 GLU 4 HB2 GLU 4 -3.832 3.418 3.790
28 HB3 GLU 4 HB3 GLU 4 -2.155 2.998 3.440
29 HG2 GLU 4 HG2 GLU 4 -2.818 5.848 3.047
30 HG3 GLU 4 HG3 GLU 4 -2.923 5.290 4.718
31 H LEU 5 H LEU 5 -4.520 1.586 1.848
32 HA LEU 5 HA LEU 5 -2.417 -0.120 0.741
33 HB2 LEU 5 HB2 LEU 5 -5.293 -0.479 1.609
34 HB3 LEU 5 HB3 LEU 5 -4.325 -1.813 0.981
35 HG LEU 5 HG LEU 5 -3.666 -0.104 3.398
36 HD11 LEU 5 HD11 LEU 5 -5.305 -2.380 3.114
37 HD12 LEU 5 HD12 LEU 5 -4.698 -1.690 4.619
38 HD13 LEU 5 HD13 LEU 5 -3.793 -2.966 3.805
39 HD21 LEU 5 HD21 LEU 5 -1.532 -0.658 2.833
40 HD22 LEU 5 HD22 LEU 5 -2.060 -1.897 1.694
41 HD23 LEU 5 HD23 LEU 5 -1.968 -2.264 3.417
42 H VAL 6 H VAL 6 -5.516 1.199 -0.378
43 HA VAL 6 HA VAL 6 -5.766 -0.205 -2.824
44 HB VAL 6 HB VAL 6 -6.541 2.559 -1.872
45 HG11 VAL 6 HG11 VAL 6 -8.155 2.426 -3.889
46 HG12 VAL 6 HG12 VAL 6 -7.038 1.223 -4.533
47 HG13 VAL 6 HG13 VAL 6 -6.479 2.866 -4.217
48 HG21 VAL 6 HG21 VAL 6 -8.834 1.412 -2.014
49 HG22 VAL 6 HG22 VAL 6 -7.749 0.835 -0.748
50 HG23 VAL 6 HG23 VAL 6 -7.946 -0.096 -2.232
51 H HIS 7 H HIS 7 -3.846 2.645 -1.986
52 HA HIS 7 HA HIS 7 -3.060 3.378 -4.648
53 HB2 HIS 7 HB2 HIS 7 -2.679 4.217 -1.988
54 HB3 HIS 7 HB3 HIS 7 -1.059 3.879 -2.600
55 HD1 HIS 7 HD1 HIS 7 -0.069 5.535 -4.229
56 HD2 HIS 7 HD2 HIS 7 -4.151 6.148 -3.649
57 HE1 HIS 7 HE1 HIS 7 -0.647 7.691 -5.427
58 H ALA 8 H ALA 8 -1.627 1.186 -2.229
59 HA ALA 8 HA ALA 8 0.764 0.574 -3.700
60 HB1 ALA 8 HB1 ALA 8 -0.071 -1.628 -2.097
61 HB2 ALA 8 HB2 ALA 8 -0.597 -0.158 -1.278
62 HB3 ALA 8 HB3 ALA 8 1.105 -0.380 -1.682
63 H GLY 9 H GLY 9 -2.499 -0.787 -3.718
64 HA2 GLY 9 HA2 GLY 9 -3.291 -1.760 -5.865
65 HA3 GLY 9 HA3 GLY 9 -1.685 -2.460 -6.059
66 H TRP 10 H TRP 10 -3.488 -2.420 -3.019
67 HA TRP 10 HA TRP 10 -3.274 -5.370 -2.903
68 HB2 TRP 10 HB2 TRP 10 -3.985 -3.124 -1.013
69 HB3 TRP 10 HB3 TRP 10 -4.244 -4.808 -0.558
70 HD1 TRP 10 HD1 TRP 10 -1.564 -2.213 -1.000
71 HE1 TRP 10 HE1 TRP 10 0.722 -3.206 -0.342
72 HE3 TRP 10 HE3 TRP 10 -2.838 -7.141 -0.541
73 HZ2 TRP 10 HZ2 TRP 10 1.860 -5.750 0.295
74 HZ3 TRP 10 HZ3 TRP 10 -1.133 -8.824 0.093
75 HH2 TRP 10 HH2 TRP 10 1.212 -8.134 0.511
76 H GLU 11 H GLU 11 -5.182 -6.686 -2.409
77 HA GLU 11 HA GLU 11 -7.858 -5.504 -2.674
78 HB2 GLU 11 HB2 GLU 11 -8.280 -6.906 -4.764
79 HB3 GLU 11 HB3 GLU 11 -7.203 -5.527 -4.989
80 HG2 GLU 11 HG2 GLU 11 -5.322 -6.854 -5.210
81 HG3 GLU 11 HG3 GLU 11 -5.987 -8.146 -4.210
82 H LYS 12 H LYS 12 -9.231 -6.783 -1.486
83 HA LYS 12 HA LYS 12 -8.291 -9.299 -0.347
84 HB2 LYS 12 HB2 LYS 12 -10.000 -7.310 0.389
85 HB3 LYS 12 HB3 LYS 12 -11.149 -8.515 -0.194
86 HG2 LYS 12 HG2 LYS 12 -8.997 -9.611 1.500
87 HG3 LYS 12 HG3 LYS 12 -10.083 -8.496 2.331
88 HD2 LYS 12 HD2 LYS 12 -11.938 -9.918 1.051
89 HD3 LYS 12 HD3 LYS 12 -10.676 -11.150 1.089
90 HE2 LYS 12 HE2 LYS 12 -11.655 -9.634 3.536
91 HE3 LYS 12 HE3 LYS 12 -12.166 -11.276 3.096
92 HZ1 LYS 12 HZ1 LYS 12 -9.585 -11.594 2.856
93 HZ2 LYS 12 HZ2 LYS 12 -10.347 -11.768 4.361
94 HZ3 LYS 12 HZ3 LYS 12 -9.539 -10.321 3.981
95 H CYS 13 H CYS 13 -8.640 -11.319 -1.201
96 HA CYS 13 HA CYS 13 -10.939 -11.744 -3.047
97 HB2 CYS 13 HB2 CYS 13 -7.995 -11.983 -3.652
98 HB3 CYS 13 HB3 CYS 13 -9.170 -12.954 -4.541
99 HG CYS 13 HG CYS 13 -8.850 -9.887 -4.750
100 H TRP 14 H TRP 14 -10.651 -14.272 -3.776
101 HA TRP 14 HA TRP 14 -10.209 -15.790 -1.222
102 HB2 TRP 14 HB2 TRP 14 -12.532 -15.717 -1.869
103 HB3 TRP 14 HB3 TRP 14 -12.136 -16.117 -3.542
104 HD1 TRP 14 HD1 TRP 14 -11.402 -18.627 -4.076
105 HE1 TRP 14 HE1 TRP 14 -11.808 -20.833 -2.806
106 HE3 TRP 14 HE3 TRP 14 -12.775 -16.783 0.484
107 HZ2 TRP 14 HZ2 TRP 14 -12.608 -21.702 -0.200
108 HZ3 TRP 14 HZ3 TRP 14 -13.354 -18.320 2.341
109 HH2 TRP 14 HH2 TRP 14 -13.272 -20.775 2.004
110 H SER 15 H SER 15 -8.176 -16.729 -1.498
111 HA SER 15 HA SER 15 -7.138 -17.580 -4.069
112 HB2 SER 15 HB2 SER 15 -5.926 -16.839 -1.913
113 HB3 SER 15 HB3 SER 15 -6.234 -18.469 -1.323
114 HG SER 15 HG SER 15 -4.833 -19.245 -2.720
115 H ARG 16 H ARG 16 -7.600 -19.497 -5.086
116 HA ARG 16 HA ARG 16 -9.347 -21.474 -3.868
117 HB2 ARG 16 HB2 ARG 16 -8.164 -20.797 -6.444
118 HB3 ARG 16 HB3 ARG 16 -8.166 -22.540 -6.173
119 HG2 ARG 16 HG2 ARG 16 -10.586 -20.745 -5.831
120 HG3 ARG 16 HG3 ARG 16 -10.269 -21.738 -7.253
121 HD2 ARG 16 HD2 ARG 16 -10.458 -22.876 -4.444
122 HD3 ARG 16 HD3 ARG 16 -11.817 -22.839 -5.586
123 HE ARG 16 HE ARG 16 -9.588 -23.921 -6.962
124 HH11 ARG 16 HH11 ARG 16 -9.928 -24.938 -3.908
125 HH12 ARG 16 HH12 ARG 16 -10.553 -26.516 -4.253
126 HH21 ARG 16 HH21 ARG 16 -11.148 -25.838 -7.601
127 HH22 ARG 16 HH22 ARG 16 -11.244 -27.026 -6.344
128 H ARG 17 H ARG 17 -5.884 -21.073 -4.161
129 HA ARG 17 HA ARG 17 -5.155 -23.847 -3.729
130 HB2 ARG 17 HB2 ARG 17 -3.948 -21.382 -4.365
131 HB3 ARG 17 HB3 ARG 17 -3.208 -21.889 -2.846
132 HG2 ARG 17 HG2 ARG 17 -2.345 -23.852 -3.765
133 HG3 ARG 17 HG3 ARG 17 -3.538 -23.886 -5.065
134 HD2 ARG 17 HD2 ARG 17 -2.011 -21.453 -5.276
135 HD3 ARG 17 HD3 ARG 17 -0.904 -22.837 -5.194
136 HE ARG 17 HE ARG 17 -2.745 -22.284 -7.370
137 HH11 ARG 17 HH11 ARG 17 -1.268 -24.759 -5.464
138 HH12 ARG 17 HH12 ARG 17 -1.341 -25.948 -6.720
139 HH21 ARG 17 HH21 ARG 17 -2.828 -23.822 -9.019
140 HH22 ARG 17 HH22 ARG 17 -2.224 -25.420 -8.730
141 H GLU 18 H GLU 18 -5.212 -20.980 -1.606
142 HA GLU 18 HA GLU 18 -4.636 -22.556 0.794
143 HB2 GLU 18 HB2 GLU 18 -4.736 -19.816 -0.098
144 HB3 GLU 18 HB3 GLU 18 -5.649 -19.981 1.401
145 HG2 GLU 18 HG2 GLU 18 -2.834 -21.027 0.993
146 HG3 GLU 18 HG3 GLU 18 -3.221 -19.498 1.783
147 H ASN 19 H ASN 19 -7.422 -21.875 -1.032
148 HA ASN 19 HA ASN 19 -9.712 -22.284 -0.637
149 HB2 ASN 19 HB2 ASN 19 -8.736 -24.425 0.138
150 HB3 ASN 19 HB3 ASN 19 -8.519 -23.736 1.747
151 HD21 ASN 19 HD21 ASN 19 -10.298 -23.826 3.162
152 HD22 ASN 19 HD22 ASN 19 -11.859 -24.309 2.701
153 H ARG 20 H ARG 20 -8.882 -19.780 0.158
154 HA ARG 20 HA ARG 20 -10.846 -19.032 2.122
155 HB2 ARG 20 HB2 ARG 20 -9.218 -18.401 3.917
156 HB3 ARG 20 HB3 ARG 20 -9.260 -20.137 3.626
157 HG2 ARG 20 HG2 ARG 20 -6.997 -19.930 3.467
158 HG3 ARG 20 HG3 ARG 20 -7.348 -19.352 1.838
159 HD2 ARG 20 HD2 ARG 20 -6.650 -17.253 2.350
160 HD3 ARG 20 HD3 ARG 20 -7.620 -17.227 3.836
161 HE ARG 20 HE ARG 20 -4.853 -18.299 3.608
162 HH11 ARG 20 HH11 ARG 20 -7.730 -18.440 5.425
163 HH12 ARG 20 HH12 ARG 20 -6.950 -18.261 6.961
164 HH21 ARG 20 HH21 ARG 20 -3.809 -17.704 5.601
165 HH22 ARG 20 HH22 ARG 20 -4.731 -17.842 7.061
166 HA PRO 21 HA PRO 21 -9.694 -15.142 0.446
167 HB2 PRO 21 HB2 PRO 21 -10.433 -13.408 2.428
168 HB3 PRO 21 HB3 PRO 21 -11.594 -14.311 1.438
169 HG2 PRO 21 HG2 PRO 21 -10.870 -14.677 4.243
170 HG3 PRO 21 HG3 PRO 21 -12.287 -15.249 3.357
171 HD2 PRO 21 HD2 PRO 21 -9.937 -16.724 4.092
172 HD3 PRO 21 HD3 PRO 21 -11.381 -17.313 3.243
173 H TYR 22 H TYR 22 -8.345 -13.134 0.750
174 HA TYR 22 HA TYR 22 -6.449 -12.913 2.927
175 HB2 TYR 22 HB2 TYR 22 -4.495 -13.780 1.747
176 HB3 TYR 22 HB3 TYR 22 -5.741 -15.027 1.769
177 HD1 TYR 22 HD1 TYR 22 -7.451 -14.905 -0.276
178 HD2 TYR 22 HD2 TYR 22 -3.465 -13.302 -0.296
179 HE1 TYR 22 HE1 TYR 22 -7.435 -14.981 -2.754
180 HE2 TYR 22 HE2 TYR 22 -3.449 -13.379 -2.776
181 HH TYR 22 HH TYR 22 -6.235 -14.666 -4.592
182 H TYR 23 H TYR 23 -4.294 -11.921 1.189
183 HA TYR 23 HA TYR 23 -5.647 -9.609 -0.155
184 HB2 TYR 23 HB2 TYR 23 -3.381 -9.657 1.857
185 HB3 TYR 23 HB3 TYR 23 -3.757 -8.241 0.876
186 HD1 TYR 23 HD1 TYR 23 -4.943 -10.452 3.578
187 HD2 TYR 23 HD2 TYR 23 -5.809 -6.966 1.221
188 HE1 TYR 23 HE1 TYR 23 -6.744 -9.826 5.164
189 HE2 TYR 23 HE2 TYR 23 -7.609 -6.341 2.808
190 HH TYR 23 HH TYR 23 -9.005 -7.291 4.468
191 H PHE 24 H PHE 24 -4.902 -9.416 -2.229
192 HA PHE 24 HA PHE 24 -2.209 -10.579 -2.869
193 HB2 PHE 24 HB2 PHE 24 -3.946 -11.902 -3.853
194 HB3 PHE 24 HB3 PHE 24 -4.832 -10.471 -4.375
195 HD1 PHE 24 HD1 PHE 24 -1.771 -12.494 -4.942
196 HD2 PHE 24 HD2 PHE 24 -4.267 -9.316 -6.400
197 HE1 PHE 24 HE1 PHE 24 -0.538 -12.513 -7.095
198 HE2 PHE 24 HE2 PHE 24 -3.034 -9.334 -8.551
199 HZ PHE 24 HZ PHE 24 -1.170 -10.933 -8.899
200 H ASN 25 H ASN 25 -0.824 -8.874 -3.171
201 HA ASN 25 HA ASN 25 -1.752 -6.242 -4.037
202 HB2 ASN 25 HB2 ASN 25 0.229 -7.043 -2.479
203 HB3 ASN 25 HB3 ASN 25 1.108 -7.145 -4.000
204 HD21 ASN 25 HD21 ASN 25 -1.373 -4.774 -2.962
205 HD22 ASN 25 HD22 ASN 25 -0.383 -3.412 -3.165
206 H ARG 26 H ARG 26 -2.516 -6.334 -6.183
207 HA ARG 26 HA ARG 26 -1.381 -7.862 -8.306
208 HB2 ARG 26 HB2 ARG 26 -2.756 -6.383 -9.692
209 HB3 ARG 26 HB3 ARG 26 -3.634 -6.774 -8.213
210 HG2 ARG 26 HG2 ARG 26 -2.727 -4.630 -7.221
211 HG3 ARG 26 HG3 ARG 26 -2.120 -4.224 -8.827
212 HD2 ARG 26 HD2 ARG 26 -4.526 -4.597 -9.663
213 HD3 ARG 26 HD3 ARG 26 -4.999 -4.551 -7.953
214 HE ARG 26 HE ARG 26 -3.942 -2.291 -7.830
215 HH11 ARG 26 HH11 ARG 26 -2.549 -2.791 -10.575
216 HH12 ARG 26 HH12 ARG 26 -3.434 -1.680 -11.564
217 HH21 ARG 26 HH21 ARG 26 -5.974 -1.229 -9.247
218 HH22 ARG 26 HH22 ARG 26 -5.374 -0.796 -10.814
219 H PHE 27 H PHE 27 -0.186 -5.094 -6.684
220 HA PHE 27 HA PHE 27 1.312 -3.966 -8.935
221 HB2 PHE 27 HB2 PHE 27 0.347 -3.025 -6.597
222 HB3 PHE 27 HB3 PHE 27 1.994 -3.402 -6.092
223 HD1 PHE 27 HD1 PHE 27 3.935 -2.453 -7.443
224 HD2 PHE 27 HD2 PHE 27 -0.120 -1.120 -7.926
225 HE1 PHE 27 HE1 PHE 27 4.745 -0.390 -8.556
226 HE2 PHE 27 HE2 PHE 27 0.690 0.942 -9.040
227 HZ PHE 27 HZ PHE 27 3.124 1.307 -9.355
228 H THR 28 H THR 28 2.414 -5.331 -5.804
229 HA THR 28 HA THR 28 4.974 -6.117 -7.100
230 HB THR 28 HB THR 28 4.926 -4.804 -4.990
231 HG1 THR 28 HG1 THR 28 5.792 -7.392 -4.321
232 HG21 THR 28 HG21 THR 28 4.091 -7.062 -3.322
233 HG22 THR 28 HG22 THR 28 2.799 -6.451 -4.353
234 HG23 THR 28 HG23 THR 28 3.620 -5.364 -3.232
235 H ASN 29 H ASN 29 2.133 -7.536 -7.092
236 HA ASN 29 HA ASN 29 1.398 -9.777 -7.174
237 HB2 ASN 29 HB2 ASN 29 3.354 -9.913 -8.659
238 HB3 ASN 29 HB3 ASN 29 4.406 -10.170 -7.267
239 HD21 ASN 29 HD21 ASN 29 4.497 -12.285 -6.353
240 HD22 ASN 29 HD22 ASN 29 3.635 -13.605 -6.982
241 H GLN 30 H GLN 30 2.370 -8.429 -4.511
242 HA GLN 30 HA GLN 30 3.387 -10.464 -2.784
243 HB2 GLN 30 HB2 GLN 30 2.473 -7.771 -2.692
244 HB3 GLN 30 HB3 GLN 30 1.596 -8.653 -1.441
245 HG2 GLN 30 HG2 GLN 30 3.598 -9.358 -0.378
246 HG3 GLN 30 HG3 GLN 30 4.581 -8.924 -1.777
247 HE21 GLN 30 HE21 GLN 30 3.962 -7.880 1.279
248 HE22 GLN 30 HE22 GLN 30 4.165 -6.207 1.071
249 H SER 31 H SER 31 2.163 -11.641 -1.114
250 HA SER 31 HA SER 31 -0.744 -12.018 -1.620
251 HB2 SER 31 HB2 SER 31 -0.158 -14.562 -1.559
252 HB3 SER 31 HB3 SER 31 0.139 -13.674 -3.051
253 HG SER 31 HG SER 31 2.001 -14.756 -2.609
254 H LEU 32 H LEU 32 -0.947 -11.051 0.516
255 HA LEU 32 HA LEU 32 0.329 -12.439 2.801
256 HB2 LEU 32 HB2 LEU 32 -1.552 -10.061 2.628
257 HB3 LEU 32 HB3 LEU 32 -0.613 -10.538 4.042
258 HG LEU 32 HG LEU 32 0.490 -9.627 1.371
259 HD11 LEU 32 HD11 LEU 32 1.557 -7.938 3.107
260 HD12 LEU 32 HD12 LEU 32 0.163 -8.393 4.086
261 HD13 LEU 32 HD13 LEU 32 -0.074 -7.668 2.496
262 HD21 LEU 32 HD21 LEU 32 1.643 -11.189 3.567
263 HD22 LEU 32 HD22 LEU 32 2.561 -9.726 3.210
264 HD23 LEU 32 HD23 LEU 32 2.265 -10.914 1.940
265 H TRP 33 H TRP 33 -1.597 -12.143 4.727
266 HA TRP 33 HA TRP 33 -3.985 -13.684 3.788
267 HB2 TRP 33 HB2 TRP 33 -2.245 -14.286 6.200
268 HB3 TRP 33 HB3 TRP 33 -3.622 -15.235 5.650
269 HD1 TRP 33 HD1 TRP 33 -0.037 -15.214 5.471
270 HE1 TRP 33 HE1 TRP 33 0.843 -16.608 3.485
271 HE3 TRP 33 HE3 TRP 33 -4.347 -15.728 2.796
272 HZ2 TRP 33 HZ2 TRP 33 -0.161 -17.784 1.074
273 HZ3 TRP 33 HZ3 TRP 33 -4.362 -16.987 0.660
274 HH2 TRP 33 HH2 TRP 33 -2.277 -18.014 -0.203
275 H GLU 34 H GLU 34 -2.883 -10.957 5.226
276 HA GLU 34 HA GLU 34 -5.413 -10.529 6.705
277 HB2 GLU 34 HB2 GLU 34 -2.858 -11.191 7.897
278 HB3 GLU 34 HB3 GLU 34 -3.348 -9.570 8.390
279 HG2 GLU 34 HG2 GLU 34 -4.965 -12.119 8.666
280 HG3 GLU 34 HG3 GLU 34 -4.280 -11.151 9.972
281 H MET 35 H MET 35 -5.955 -8.302 6.720
282 HA MET 35 HA MET 35 -5.152 -6.548 4.779
283 HB2 MET 35 HB2 MET 35 -6.500 -6.466 7.313
284 HB3 MET 35 HB3 MET 35 -5.525 -5.005 7.138
285 HG2 MET 35 HG2 MET 35 -6.768 -5.569 4.623
286 HG3 MET 35 HG3 MET 35 -8.006 -5.614 5.876
287 HE1 MET 35 HE1 MET 35 -8.913 -2.676 6.939
288 HE2 MET 35 HE2 MET 35 -7.476 -2.793 7.965
289 HE3 MET 35 HE3 MET 35 -8.361 -4.248 7.511
290 HA PRO 36 HA PRO 36 -0.929 -5.744 5.941
291 HB2 PRO 36 HB2 PRO 36 -0.284 -4.339 3.689
292 HB3 PRO 36 HB3 PRO 36 -0.410 -6.108 3.721
293 HG2 PRO 36 HG2 PRO 36 -2.259 -4.109 2.594
294 HG3 PRO 36 HG3 PRO 36 -1.985 -5.791 2.123
295 HD2 PRO 36 HD2 PRO 36 -4.129 -4.804 3.652
296 HD3 PRO 36 HD3 PRO 36 -3.699 -6.509 3.408
297 H VAL 37 H VAL 37 0.435 -3.655 6.072
298 HA VAL 37 HA VAL 37 -1.344 -1.320 6.701
299 HB VAL 37 HB VAL 37 1.311 -2.038 7.971
300 HG11 VAL 37 HG11 VAL 37 0.261 -0.655 9.841
301 HG12 VAL 37 HG12 VAL 37 -0.985 -0.199 8.680
302 HG13 VAL 37 HG13 VAL 37 0.698 0.238 8.384
303 HG21 VAL 37 HG21 VAL 37 -0.010 -3.041 9.804
304 HG22 VAL 37 HG22 VAL 37 -0.284 -3.899 8.288
305 HG23 VAL 37 HG23 VAL 37 -1.492 -2.762 8.888
306 H LEU 38 H LEU 38 -0.118 0.811 6.563
307 HA LEU 38 HA LEU 38 2.305 0.886 4.911
308 HB2 LEU 38 HB2 LEU 38 0.024 0.452 3.556
309 HB3 LEU 38 HB3 LEU 38 -0.061 2.209 3.665
310 HG LEU 38 HG LEU 38 2.515 0.920 2.823
311 HD11 LEU 38 HD11 LEU 38 0.578 1.718 0.704
312 HD12 LEU 38 HD12 LEU 38 0.288 0.173 1.506
313 HD13 LEU 38 HD13 LEU 38 1.819 0.464 0.680
314 HD21 LEU 38 HD21 LEU 38 1.424 3.559 3.053
315 HD22 LEU 38 HD22 LEU 38 1.747 3.245 1.348
316 HD23 LEU 38 HD23 LEU 38 3.043 3.092 2.533
317 H GLY 39 H GLY 39 3.097 3.101 4.676
318 HA2 GLY 39 HA2 GLY 39 1.601 5.205 6.138
319 HA3 GLY 39 HA3 GLY 39 3.211 4.792 6.734
320 H GLN 40 H GLN 40 4.986 5.643 5.681
321 HA GLN 40 HA GLN 40 4.656 7.856 3.893
322 HB2 GLN 40 HB2 GLN 40 7.112 6.127 4.303
323 HB3 GLN 40 HB3 GLN 40 7.066 7.842 3.895
324 HG2 GLN 40 HG2 GLN 40 5.701 8.041 6.139
325 HG3 GLN 40 HG3 GLN 40 6.482 6.506 6.518
326 HE21 GLN 40 HE21 GLN 40 8.471 6.738 7.541
327 HE22 GLN 40 HE22 GLN 40 9.500 8.079 7.384
328 H HIS 41 H HIS 41 6.121 7.742 1.732
329 HA HIS 41 HA HIS 41 4.832 5.704 0.026
330 HB2 HIS 41 HB2 HIS 41 6.080 8.348 -0.196
331 HB3 HIS 41 HB3 HIS 41 6.544 7.267 -1.511
332 HD1 HIS 41 HD1 HIS 41 3.624 9.097 -0.073
333 HD2 HIS 41 HD2 HIS 41 4.357 6.393 -3.160
334 HE1 HIS 41 HE1 HIS 41 1.547 9.085 -1.523
335 H ASP 42 H ASP 42 7.602 5.794 1.880
336 HA ASP 42 HA ASP 42 9.619 4.752 0.130
337 HB2 ASP 42 HB2 ASP 42 9.143 4.357 3.104
338 HB3 ASP 42 HB3 ASP 42 10.681 4.134 2.271
339 H VAL 43 H VAL 43 10.489 2.373 1.142
340 HA VAL 43 HA VAL 43 8.231 0.441 1.122
341 HB VAL 43 HB VAL 43 10.528 0.313 -0.853
342 HG11 VAL 43 HG11 VAL 43 7.826 -1.046 -0.935
343 HG12 VAL 43 HG12 VAL 43 9.235 -1.785 -0.173
344 HG13 VAL 43 HG13 VAL 43 9.255 -1.419 -1.898
345 HG21 VAL 43 HG21 VAL 43 9.235 2.298 -1.381
346 HG22 VAL 43 HG22 VAL 43 7.721 1.415 -1.181
347 HG23 VAL 43 HG23 VAL 43 8.791 1.035 -2.530
348 H ILE 44 H ILE 44 9.402 0.523 3.397
349 HA ILE 44 HA ILE 44 12.005 -0.772 3.595
350 HB ILE 44 HB ILE 44 11.418 -0.701 6.022
351 HG12 ILE 44 HG12 ILE 44 8.975 0.827 5.716
352 HG13 ILE 44 HG13 ILE 44 8.791 -0.778 5.006
353 HG21 ILE 44 HG21 ILE 44 12.145 1.423 5.883
354 HG22 ILE 44 HG22 ILE 44 10.514 1.947 5.468
355 HG23 ILE 44 HG23 ILE 44 11.643 1.488 4.194
356 HD11 ILE 44 HD11 ILE 44 9.269 -0.004 7.845
357 HD12 ILE 44 HD12 ILE 44 10.038 -1.485 7.273
358 HD13 ILE 44 HD13 ILE 44 8.286 -1.312 7.186
359 H SER 45 H SER 45 11.767 -2.679 5.515
360 HA SER 45 HA SER 45 9.665 -4.579 5.308
361 HB2 SER 45 HB2 SER 45 11.447 -4.366 3.024
362 HB3 SER 45 HB3 SER 45 11.526 -5.980 3.725
363 HG SER 45 HG SER 45 9.473 -4.700 2.409
364 H ASP 46 H ASP 46 11.657 -3.584 7.224
365 HA ASP 46 HA ASP 46 12.914 -6.202 7.972
366 HB2 ASP 46 HB2 ASP 46 14.521 -4.562 6.985
367 HB3 ASP 46 HB3 ASP 46 14.086 -3.416 8.254
368 HA PRO 47 HA PRO 47 10.336 -4.408 11.392
369 HB2 PRO 47 HB2 PRO 47 8.932 -6.700 11.904
370 HB3 PRO 47 HB3 PRO 47 8.420 -5.503 10.698
371 HG2 PRO 47 HG2 PRO 47 9.809 -8.105 10.311
372 HG3 PRO 47 HG3 PRO 47 8.550 -7.340 9.329
373 HD2 PRO 47 HD2 PRO 47 11.202 -7.336 8.668
374 HD3 PRO 47 HD3 PRO 47 10.053 -6.083 8.151
Start of MODEL 14
1 H LEU 1 H LEU 1 -10.409 -1.594 3.706
2 HA LEU 1 HA LEU 1 -7.558 -1.815 3.124
3 HB2 LEU 1 HB2 LEU 1 -9.823 -2.548 1.253
4 HB3 LEU 1 HB3 LEU 1 -8.235 -2.053 0.664
5 HG LEU 1 HG LEU 1 -8.527 -4.261 2.699
6 HD11 LEU 1 HD11 LEU 1 -9.823 -4.543 0.407
7 HD12 LEU 1 HD12 LEU 1 -8.858 -5.869 1.056
8 HD13 LEU 1 HD13 LEU 1 -8.204 -4.846 -0.223
9 HD21 LEU 1 HD21 LEU 1 -6.369 -2.913 1.403
10 HD22 LEU 1 HD22 LEU 1 -6.408 -4.568 0.795
11 HD23 LEU 1 HD23 LEU 1 -6.282 -4.268 2.528
12 HA PRO 2 HA PRO 2 -9.386 2.379 3.059
13 HB2 PRO 2 HB2 PRO 2 -7.168 3.602 4.097
14 HB3 PRO 2 HB3 PRO 2 -8.417 2.845 5.103
15 HG2 PRO 2 HG2 PRO 2 -5.747 1.807 4.301
16 HG3 PRO 2 HG3 PRO 2 -6.603 1.649 5.843
17 HD2 PRO 2 HD2 PRO 2 -6.470 -0.340 3.976
18 HD3 PRO 2 HD3 PRO 2 -7.801 -0.168 5.140
19 H GLU 3 H GLU 3 -8.501 4.372 1.930
20 HA GLU 3 HA GLU 3 -7.637 3.897 -0.687
21 HB2 GLU 3 HB2 GLU 3 -8.411 6.027 0.814
22 HB3 GLU 3 HB3 GLU 3 -6.695 6.389 0.623
23 HG2 GLU 3 HG2 GLU 3 -6.867 6.684 -1.652
24 HG3 GLU 3 HG3 GLU 3 -8.174 5.511 -1.811
25 H GLU 4 H GLU 4 -5.659 4.391 2.219
26 HA GLU 4 HA GLU 4 -3.122 4.777 1.039
27 HB2 GLU 4 HB2 GLU 4 -4.106 3.437 3.560
28 HB3 GLU 4 HB3 GLU 4 -2.384 3.622 3.227
29 HG2 GLU 4 HG2 GLU 4 -3.105 6.136 2.736
30 HG3 GLU 4 HG3 GLU 4 -4.437 5.717 3.815
31 H LEU 5 H LEU 5 -4.829 1.740 1.760
32 HA LEU 5 HA LEU 5 -2.658 0.043 0.828
33 HB2 LEU 5 HB2 LEU 5 -5.588 -0.333 1.484
34 HB3 LEU 5 HB3 LEU 5 -4.553 -1.672 0.987
35 HG LEU 5 HG LEU 5 -4.179 0.118 3.403
36 HD11 LEU 5 HD11 LEU 5 -5.147 -1.549 4.573
37 HD12 LEU 5 HD12 LEU 5 -4.131 -2.762 3.795
38 HD13 LEU 5 HD13 LEU 5 -5.635 -2.247 3.029
39 HD21 LEU 5 HD21 LEU 5 -2.287 -1.520 1.857
40 HD22 LEU 5 HD22 LEU 5 -2.335 -1.935 3.571
41 HD23 LEU 5 HD23 LEU 5 -1.967 -0.283 3.074
42 H VAL 6 H VAL 6 -5.687 1.262 -0.563
43 HA VAL 6 HA VAL 6 -5.741 -0.227 -2.968
44 HB VAL 6 HB VAL 6 -6.504 2.670 -2.489
45 HG11 VAL 6 HG11 VAL 6 -8.318 2.009 -4.177
46 HG12 VAL 6 HG12 VAL 6 -7.333 0.587 -4.517
47 HG13 VAL 6 HG13 VAL 6 -6.686 2.200 -4.819
48 HG21 VAL 6 HG21 VAL 6 -7.989 1.864 -0.997
49 HG22 VAL 6 HG22 VAL 6 -7.470 0.210 -1.320
50 HG23 VAL 6 HG23 VAL 6 -8.739 0.945 -2.302
51 H HIS 7 H HIS 7 -3.959 2.723 -2.136
52 HA HIS 7 HA HIS 7 -2.976 3.382 -4.729
53 HB2 HIS 7 HB2 HIS 7 -2.520 4.034 -1.929
54 HB3 HIS 7 HB3 HIS 7 -1.006 4.034 -2.834
55 HD1 HIS 7 HD1 HIS 7 -0.688 6.543 -3.097
56 HD2 HIS 7 HD2 HIS 7 -4.445 5.264 -4.372
57 HE1 HIS 7 HE1 HIS 7 -1.765 8.523 -4.250
58 H ALA 8 H ALA 8 -1.649 1.241 -2.198
59 HA ALA 8 HA ALA 8 0.781 0.567 -3.571
60 HB1 ALA 8 HB1 ALA 8 0.170 -1.592 -1.987
61 HB2 ALA 8 HB2 ALA 8 -0.841 -0.335 -1.272
62 HB3 ALA 8 HB3 ALA 8 0.904 -0.103 -1.391
63 H GLY 9 H GLY 9 -2.516 -0.629 -3.808
64 HA2 GLY 9 HA2 GLY 9 -3.249 -1.706 -5.889
65 HA3 GLY 9 HA3 GLY 9 -1.634 -2.401 -6.041
66 H TRP 10 H TRP 10 -3.528 -2.323 -3.053
67 HA TRP 10 HA TRP 10 -3.287 -5.270 -2.876
68 HB2 TRP 10 HB2 TRP 10 -4.095 -3.003 -1.048
69 HB3 TRP 10 HB3 TRP 10 -4.315 -4.686 -0.571
70 HD1 TRP 10 HD1 TRP 10 -1.697 -2.023 -1.019
71 HE1 TRP 10 HE1 TRP 10 0.599 -2.933 -0.274
72 HE3 TRP 10 HE3 TRP 10 -2.853 -6.965 -0.436
73 HZ2 TRP 10 HZ2 TRP 10 1.785 -5.427 0.472
74 HZ3 TRP 10 HZ3 TRP 10 -1.123 -8.582 0.291
75 HH2 TRP 10 HH2 TRP 10 1.192 -7.821 0.746
76 H GLU 11 H GLU 11 -5.185 -6.606 -2.450
77 HA GLU 11 HA GLU 11 -7.871 -5.454 -2.784
78 HB2 GLU 11 HB2 GLU 11 -8.259 -6.839 -4.860
79 HB3 GLU 11 HB3 GLU 11 -7.094 -5.532 -5.085
80 HG2 GLU 11 HG2 GLU 11 -5.404 -7.472 -4.292
81 HG3 GLU 11 HG3 GLU 11 -6.652 -8.474 -5.033
82 H LYS 12 H LYS 12 -9.268 -6.736 -1.620
83 HA LYS 12 HA LYS 12 -8.305 -9.217 -0.406
84 HB2 LYS 12 HB2 LYS 12 -9.998 -7.230 0.315
85 HB3 LYS 12 HB3 LYS 12 -11.165 -8.408 -0.288
86 HG2 LYS 12 HG2 LYS 12 -9.973 -10.136 1.164
87 HG3 LYS 12 HG3 LYS 12 -9.130 -8.782 1.919
88 HD2 LYS 12 HD2 LYS 12 -10.904 -8.554 3.288
89 HD3 LYS 12 HD3 LYS 12 -11.831 -8.020 1.885
90 HE2 LYS 12 HE2 LYS 12 -12.668 -10.215 1.468
91 HE3 LYS 12 HE3 LYS 12 -11.475 -10.956 2.553
92 HZ1 LYS 12 HZ1 LYS 12 -13.195 -8.855 3.641
93 HZ2 LYS 12 HZ2 LYS 12 -12.550 -10.226 4.404
94 HZ3 LYS 12 HZ3 LYS 12 -13.898 -10.380 3.381
95 H CYS 13 H CYS 13 -8.730 -11.280 -1.133
96 HA CYS 13 HA CYS 13 -11.003 -11.762 -2.979
97 HB2 CYS 13 HB2 CYS 13 -8.066 -12.127 -3.640
98 HB3 CYS 13 HB3 CYS 13 -9.363 -12.861 -4.585
99 HG CYS 13 HG CYS 13 -9.298 -10.674 -5.785
100 H TRP 14 H TRP 14 -10.761 -14.284 -3.649
101 HA TRP 14 HA TRP 14 -10.154 -15.767 -1.109
102 HB2 TRP 14 HB2 TRP 14 -12.525 -15.648 -1.631
103 HB3 TRP 14 HB3 TRP 14 -12.226 -16.165 -3.290
104 HD1 TRP 14 HD1 TRP 14 -11.567 -18.713 -3.696
105 HE1 TRP 14 HE1 TRP 14 -11.912 -20.824 -2.256
106 HE3 TRP 14 HE3 TRP 14 -12.626 -16.547 0.806
107 HZ2 TRP 14 HZ2 TRP 14 -12.550 -21.503 0.449
108 HZ3 TRP 14 HZ3 TRP 14 -13.097 -17.948 2.796
109 HH2 TRP 14 HH2 TRP 14 -13.060 -20.421 2.622
110 H SER 15 H SER 15 -8.195 -16.809 -1.472
111 HA SER 15 HA SER 15 -7.292 -17.647 -4.099
112 HB2 SER 15 HB2 SER 15 -6.027 -17.013 -1.887
113 HB3 SER 15 HB3 SER 15 -6.268 -18.706 -1.473
114 HG SER 15 HG SER 15 -4.876 -19.267 -2.964
115 H ARG 16 H ARG 16 -7.710 -19.591 -5.107
116 HA ARG 16 HA ARG 16 -9.541 -21.507 -3.881
117 HB2 ARG 16 HB2 ARG 16 -8.555 -20.747 -6.462
118 HB3 ARG 16 HB3 ARG 16 -8.322 -22.485 -6.270
119 HG2 ARG 16 HG2 ARG 16 -10.615 -22.880 -5.917
120 HG3 ARG 16 HG3 ARG 16 -10.937 -21.192 -5.517
121 HD2 ARG 16 HD2 ARG 16 -11.700 -21.142 -7.693
122 HD3 ARG 16 HD3 ARG 16 -9.977 -20.910 -8.052
123 HE ARG 16 HE ARG 16 -9.879 -23.476 -8.176
124 HH11 ARG 16 HH11 ARG 16 -12.285 -21.439 -9.448
125 HH12 ARG 16 HH12 ARG 16 -13.220 -22.720 -10.144
126 HH21 ARG 16 HH21 ARG 16 -11.281 -25.243 -8.769
127 HH22 ARG 16 HH22 ARG 16 -12.652 -24.872 -9.761
128 H ARG 17 H ARG 17 -6.085 -21.190 -4.127
129 HA ARG 17 HA ARG 17 -5.451 -24.015 -3.827
130 HB2 ARG 17 HB2 ARG 17 -4.064 -22.051 -4.782
131 HB3 ARG 17 HB3 ARG 17 -3.714 -21.655 -3.099
132 HG2 ARG 17 HG2 ARG 17 -3.001 -24.116 -2.847
133 HG3 ARG 17 HG3 ARG 17 -3.004 -24.171 -4.611
134 HD2 ARG 17 HD2 ARG 17 -1.099 -22.914 -4.770
135 HD3 ARG 17 HD3 ARG 17 -1.581 -21.848 -3.435
136 HE ARG 17 HE ARG 17 0.092 -24.159 -3.151
137 HH11 ARG 17 HH11 ARG 17 -1.796 -21.878 -1.530
138 HH12 ARG 17 HH12 ARG 17 -1.847 -22.740 -0.029
139 HH21 ARG 17 HH21 ARG 17 -0.313 -25.578 -1.300
140 HH22 ARG 17 HH22 ARG 17 -1.006 -24.834 0.102
141 H GLU 18 H GLU 18 -5.306 -21.223 -1.609
142 HA GLU 18 HA GLU 18 -4.824 -22.919 0.728
143 HB2 GLU 18 HB2 GLU 18 -4.721 -20.154 -0.070
144 HB3 GLU 18 HB3 GLU 18 -5.638 -20.296 1.429
145 HG2 GLU 18 HG2 GLU 18 -2.879 -21.452 0.933
146 HG3 GLU 18 HG3 GLU 18 -3.231 -20.018 1.898
147 H ASN 19 H ASN 19 -7.566 -21.982 -1.037
148 HA ASN 19 HA ASN 19 -9.876 -22.235 -0.631
149 HB2 ASN 19 HB2 ASN 19 -9.032 -24.457 0.094
150 HB3 ASN 19 HB3 ASN 19 -8.787 -23.817 1.718
151 HD21 ASN 19 HD21 ASN 19 -10.458 -24.558 3.034
152 HD22 ASN 19 HD22 ASN 19 -12.094 -24.625 2.584
153 H ARG 20 H ARG 20 -8.752 -19.833 0.272
154 HA ARG 20 HA ARG 20 -10.667 -19.044 2.321
155 HB2 ARG 20 HB2 ARG 20 -8.851 -18.390 3.956
156 HB3 ARG 20 HB3 ARG 20 -9.034 -20.131 3.747
157 HG2 ARG 20 HG2 ARG 20 -6.883 -20.280 3.106
158 HG3 ARG 20 HG3 ARG 20 -7.215 -19.199 1.752
159 HD2 ARG 20 HD2 ARG 20 -5.936 -17.626 2.761
160 HD3 ARG 20 HD3 ARG 20 -7.104 -17.581 4.097
161 HE ARG 20 HE ARG 20 -4.656 -19.268 4.010
162 HH11 ARG 20 HH11 ARG 20 -6.082 -17.170 6.013
163 HH12 ARG 20 HH12 ARG 20 -6.283 -18.233 7.367
164 HH21 ARG 20 HH21 ARG 20 -5.534 -21.100 5.565
165 HH22 ARG 20 HH22 ARG 20 -5.974 -20.458 7.112
166 HA PRO 21 HA PRO 21 -9.622 -15.165 0.555
167 HB2 PRO 21 HB2 PRO 21 -10.329 -13.448 2.563
168 HB3 PRO 21 HB3 PRO 21 -11.504 -14.358 1.597
169 HG2 PRO 21 HG2 PRO 21 -10.706 -14.731 4.383
170 HG3 PRO 21 HG3 PRO 21 -12.142 -15.309 3.529
171 HD2 PRO 21 HD2 PRO 21 -9.770 -16.778 4.199
172 HD3 PRO 21 HD3 PRO 21 -11.227 -17.363 3.370
173 H TYR 22 H TYR 22 -8.282 -13.156 0.818
174 HA TYR 22 HA TYR 22 -6.347 -12.895 2.950
175 HB2 TYR 22 HB2 TYR 22 -4.405 -13.760 1.737
176 HB3 TYR 22 HB3 TYR 22 -5.632 -15.020 1.837
177 HD1 TYR 22 HD1 TYR 22 -7.400 -14.993 -0.160
178 HD2 TYR 22 HD2 TYR 22 -3.440 -13.336 -0.350
179 HE1 TYR 22 HE1 TYR 22 -7.452 -15.154 -2.634
180 HE2 TYR 22 HE2 TYR 22 -3.494 -13.500 -2.825
181 HH TYR 22 HH TYR 22 -6.382 -14.175 -4.560
182 H TYR 23 H TYR 23 -4.224 -11.869 1.262
183 HA TYR 23 HA TYR 23 -5.606 -9.623 -0.163
184 HB2 TYR 23 HB2 TYR 23 -3.345 -9.581 1.859
185 HB3 TYR 23 HB3 TYR 23 -3.772 -8.188 0.867
186 HD1 TYR 23 HD1 TYR 23 -5.975 -7.084 1.117
187 HD2 TYR 23 HD2 TYR 23 -4.770 -10.316 3.678
188 HE1 TYR 23 HE1 TYR 23 -7.800 -6.513 2.696
189 HE2 TYR 23 HE2 TYR 23 -6.593 -9.744 5.257
190 HH TYR 23 HH TYR 23 -9.162 -8.038 4.556
191 H PHE 24 H PHE 24 -4.763 -9.293 -2.197
192 HA PHE 24 HA PHE 24 -2.088 -10.512 -2.805
193 HB2 PHE 24 HB2 PHE 24 -3.787 -11.848 -3.817
194 HB3 PHE 24 HB3 PHE 24 -4.700 -10.427 -4.328
195 HD1 PHE 24 HD1 PHE 24 -1.089 -11.418 -4.611
196 HD2 PHE 24 HD2 PHE 24 -4.675 -10.220 -6.650
197 HE1 PHE 24 HE1 PHE 24 0.142 -11.397 -6.764
198 HE2 PHE 24 HE2 PHE 24 -3.444 -10.201 -8.803
199 HZ PHE 24 HZ PHE 24 -1.035 -10.789 -8.860
200 H ASN 25 H ASN 25 -0.691 -8.811 -3.114
201 HA ASN 25 HA ASN 25 -1.605 -6.179 -3.992
202 HB2 ASN 25 HB2 ASN 25 0.399 -7.017 -2.459
203 HB3 ASN 25 HB3 ASN 25 1.254 -7.073 -3.997
204 HD21 ASN 25 HD21 ASN 25 -1.228 -4.758 -2.843
205 HD22 ASN 25 HD22 ASN 25 -0.256 -3.379 -3.033
206 H ARG 26 H ARG 26 -2.395 -6.286 -6.124
207 HA ARG 26 HA ARG 26 -1.271 -7.837 -8.247
208 HB2 ARG 26 HB2 ARG 26 -2.757 -6.520 -9.609
209 HB3 ARG 26 HB3 ARG 26 -3.548 -6.707 -8.043
210 HG2 ARG 26 HG2 ARG 26 -2.641 -4.494 -7.353
211 HG3 ARG 26 HG3 ARG 26 -1.948 -4.300 -8.963
212 HD2 ARG 26 HD2 ARG 26 -4.206 -4.440 -9.964
213 HD3 ARG 26 HD3 ARG 26 -4.908 -4.632 -8.344
214 HE ARG 26 HE ARG 26 -3.182 -2.326 -8.418
215 HH11 ARG 26 HH11 ARG 26 -5.806 -2.308 -7.043
216 HH12 ARG 26 HH12 ARG 26 -6.765 -1.290 -8.066
217 HH21 ARG 26 HH21 ARG 26 -4.609 -1.526 -10.772
218 HH22 ARG 26 HH22 ARG 26 -6.088 -0.849 -10.177
219 H PHE 27 H PHE 27 -0.061 -5.062 -6.671
220 HA PHE 27 HA PHE 27 1.398 -4.005 -9.010
221 HB2 PHE 27 HB2 PHE 27 0.328 -2.907 -6.783
222 HB3 PHE 27 HB3 PHE 27 1.978 -3.158 -6.216
223 HD1 PHE 27 HD1 PHE 27 -0.130 -1.464 -8.734
224 HD2 PHE 27 HD2 PHE 27 3.841 -1.929 -7.162
225 HE1 PHE 27 HE1 PHE 27 0.608 0.529 -10.012
226 HE2 PHE 27 HE2 PHE 27 4.578 0.065 -8.440
227 HZ PHE 27 HZ PHE 27 2.964 1.293 -9.864
228 H THR 28 H THR 28 2.283 -5.369 -5.807
229 HA THR 28 HA THR 28 5.010 -5.958 -6.866
230 HB THR 28 HB THR 28 5.619 -6.048 -4.540
231 HG1 THR 28 HG1 THR 28 3.649 -5.717 -3.072
232 HG21 THR 28 HG21 THR 28 5.280 -3.783 -5.319
233 HG22 THR 28 HG22 THR 28 4.651 -3.894 -3.675
234 HG23 THR 28 HG23 THR 28 3.542 -3.904 -5.046
235 H ASN 29 H ASN 29 2.237 -7.517 -7.089
236 HA ASN 29 HA ASN 29 1.617 -9.793 -7.214
237 HB2 ASN 29 HB2 ASN 29 3.657 -9.767 -8.607
238 HB3 ASN 29 HB3 ASN 29 4.643 -10.031 -7.169
239 HD21 ASN 29 HD21 ASN 29 1.975 -11.552 -9.049
240 HD22 ASN 29 HD22 ASN 29 2.390 -13.144 -8.633
241 H GLN 30 H GLN 30 2.516 -8.426 -4.496
242 HA GLN 30 HA GLN 30 3.507 -10.486 -2.779
243 HB2 GLN 30 HB2 GLN 30 2.617 -7.782 -2.682
244 HB3 GLN 30 HB3 GLN 30 1.745 -8.665 -1.427
245 HG2 GLN 30 HG2 GLN 30 3.711 -9.301 -0.325
246 HG3 GLN 30 HG3 GLN 30 4.703 -9.056 -1.762
247 HE21 GLN 30 HE21 GLN 30 3.334 -7.477 1.045
248 HE22 GLN 30 HE22 GLN 30 4.011 -5.947 0.760
249 H SER 31 H SER 31 2.287 -11.703 -1.168
250 HA SER 31 HA SER 31 -0.634 -12.014 -1.661
251 HB2 SER 31 HB2 SER 31 0.119 -14.607 -1.456
252 HB3 SER 31 HB3 SER 31 -0.001 -13.773 -3.004
253 HG SER 31 HG SER 31 2.143 -14.837 -1.865
254 H LEU 32 H LEU 32 -0.891 -11.087 0.463
255 HA LEU 32 HA LEU 32 0.404 -12.436 2.761
256 HB2 LEU 32 HB2 LEU 32 -1.480 -10.067 2.519
257 HB3 LEU 32 HB3 LEU 32 -0.620 -10.539 3.984
258 HG LEU 32 HG LEU 32 0.595 -9.596 1.376
259 HD11 LEU 32 HD11 LEU 32 0.583 -8.513 4.208
260 HD12 LEU 32 HD12 LEU 32 -0.191 -7.788 2.798
261 HD13 LEU 32 HD13 LEU 32 1.568 -7.856 2.902
262 HD21 LEU 32 HD21 LEU 32 1.775 -10.980 3.773
263 HD22 LEU 32 HD22 LEU 32 2.741 -9.820 2.860
264 HD23 LEU 32 HD23 LEU 32 2.101 -11.258 2.062
265 H TRP 33 H TRP 33 -1.557 -12.120 4.672
266 HA TRP 33 HA TRP 33 -3.900 -13.728 3.733
267 HB2 TRP 33 HB2 TRP 33 -2.102 -14.245 6.125
268 HB3 TRP 33 HB3 TRP 33 -3.532 -15.186 5.711
269 HD1 TRP 33 HD1 TRP 33 0.045 -15.207 5.270
270 HE1 TRP 33 HE1 TRP 33 0.763 -16.741 3.320
271 HE3 TRP 33 HE3 TRP 33 -4.466 -15.883 2.997
272 HZ2 TRP 33 HZ2 TRP 33 -0.434 -18.077 1.089
273 HZ3 TRP 33 HZ3 TRP 33 -4.655 -17.288 0.964
274 HH2 TRP 33 HH2 TRP 33 -2.647 -18.385 0.008
275 H GLU 34 H GLU 34 -2.870 -10.954 5.150
276 HA GLU 34 HA GLU 34 -5.448 -10.520 6.524
277 HB2 GLU 34 HB2 GLU 34 -3.185 -11.430 7.904
278 HB3 GLU 34 HB3 GLU 34 -3.217 -9.694 8.215
279 HG2 GLU 34 HG2 GLU 34 -5.254 -9.783 9.312
280 HG3 GLU 34 HG3 GLU 34 -5.784 -11.216 8.430
281 H MET 35 H MET 35 -5.879 -8.239 6.740
282 HA MET 35 HA MET 35 -5.051 -6.471 4.808
283 HB2 MET 35 HB2 MET 35 -6.377 -6.413 7.339
284 HB3 MET 35 HB3 MET 35 -5.313 -5.008 7.247
285 HG2 MET 35 HG2 MET 35 -6.667 -5.454 4.721
286 HG3 MET 35 HG3 MET 35 -7.828 -5.284 6.034
287 HE1 MET 35 HE1 MET 35 -8.866 -3.367 6.293
288 HE2 MET 35 HE2 MET 35 -8.174 -1.770 6.609
289 HE3 MET 35 HE3 MET 35 -7.869 -3.101 7.722
290 HA PRO 36 HA PRO 36 -0.779 -5.854 5.855
291 HB2 PRO 36 HB2 PRO 36 -0.188 -4.242 3.731
292 HB3 PRO 36 HB3 PRO 36 -0.377 -6.000 3.586
293 HG2 PRO 36 HG2 PRO 36 -2.213 -3.834 2.784
294 HG3 PRO 36 HG3 PRO 36 -2.004 -5.451 2.102
295 HD2 PRO 36 HD2 PRO 36 -4.060 -4.625 3.817
296 HD3 PRO 36 HD3 PRO 36 -3.655 -6.300 3.393
297 H VAL 37 H VAL 37 0.673 -3.692 5.794
298 HA VAL 37 HA VAL 37 -0.967 -1.474 6.982
299 HB VAL 37 HB VAL 37 1.877 -2.204 7.718
300 HG11 VAL 37 HG11 VAL 37 0.495 -1.229 9.924
301 HG12 VAL 37 HG12 VAL 37 -0.143 -0.274 8.585
302 HG13 VAL 37 HG13 VAL 37 1.592 -0.300 8.903
303 HG21 VAL 37 HG21 VAL 37 0.911 -3.480 9.622
304 HG22 VAL 37 HG22 VAL 37 0.499 -4.208 8.069
305 HG23 VAL 37 HG23 VAL 37 -0.700 -3.250 8.940
306 H LEU 38 H LEU 38 0.724 0.564 7.085
307 HA LEU 38 HA LEU 38 2.318 0.723 4.585
308 HB2 LEU 38 HB2 LEU 38 -0.382 1.637 4.894
309 HB3 LEU 38 HB3 LEU 38 0.664 3.045 4.714
310 HG LEU 38 HG LEU 38 0.801 0.643 2.879
311 HD11 LEU 38 HD11 LEU 38 -1.424 1.718 2.725
312 HD12 LEU 38 HD12 LEU 38 -0.474 1.999 1.267
313 HD13 LEU 38 HD13 LEU 38 -0.645 3.279 2.467
314 HD21 LEU 38 HD21 LEU 38 2.819 2.035 2.956
315 HD22 LEU 38 HD22 LEU 38 1.851 3.486 2.696
316 HD23 LEU 38 HD23 LEU 38 1.987 2.277 1.420
317 H GLY 39 H GLY 39 2.741 3.462 4.565
318 HA2 GLY 39 HA2 GLY 39 4.779 3.934 6.370
319 HA3 GLY 39 HA3 GLY 39 3.790 5.239 5.714
320 H GLN 40 H GLN 40 1.313 4.282 6.949
321 HA GLN 40 HA GLN 40 1.152 5.745 9.287
322 HB2 GLN 40 HB2 GLN 40 -0.153 3.148 8.437
323 HB3 GLN 40 HB3 GLN 40 -0.684 4.052 9.855
324 HG2 GLN 40 HG2 GLN 40 -0.651 6.068 8.084
325 HG3 GLN 40 HG3 GLN 40 -0.948 4.734 6.968
326 HE21 GLN 40 HE21 GLN 40 -2.349 3.238 9.280
327 HE22 GLN 40 HE22 GLN 40 -3.887 3.952 9.353
328 H HIS 41 H HIS 41 2.183 5.588 11.238
329 HA HIS 41 HA HIS 41 3.356 4.654 13.065
330 HB2 HIS 41 HB2 HIS 41 1.470 2.593 12.038
331 HB3 HIS 41 HB3 HIS 41 2.721 2.022 13.143
332 HD1 HIS 41 HD1 HIS 41 0.649 1.653 14.844
333 HD2 HIS 41 HD2 HIS 41 1.577 5.616 13.943
334 HE1 HIS 41 HE1 HIS 41 -0.481 3.073 16.610
335 H ASP 42 H ASP 42 5.130 5.061 11.184
336 HA ASP 42 HA ASP 42 6.326 2.779 9.905
337 HB2 ASP 42 HB2 ASP 42 7.191 5.573 10.654
338 HB3 ASP 42 HB3 ASP 42 8.299 4.466 9.843
339 H VAL 43 H VAL 43 8.887 2.524 10.509
340 HA VAL 43 HA VAL 43 8.976 1.076 12.988
341 HB VAL 43 HB VAL 43 11.358 0.866 12.392
342 HG11 VAL 43 HG11 VAL 43 11.066 -0.025 10.109
343 HG12 VAL 43 HG12 VAL 43 9.537 0.843 9.966
344 HG13 VAL 43 HG13 VAL 43 9.701 -0.467 11.136
345 HG21 VAL 43 HG21 VAL 43 10.814 3.420 11.136
346 HG22 VAL 43 HG22 VAL 43 11.515 2.299 9.969
347 HG23 VAL 43 HG23 VAL 43 12.370 2.659 11.469
348 H ILE 44 H ILE 44 9.976 1.656 14.972
349 HA ILE 44 HA ILE 44 9.803 4.396 15.796
350 HB ILE 44 HB ILE 44 11.188 1.954 16.946
351 HG12 ILE 44 HG12 ILE 44 8.731 1.773 16.620
352 HG13 ILE 44 HG13 ILE 44 9.160 1.806 18.331
353 HG21 ILE 44 HG21 ILE 44 11.605 3.114 18.902
354 HG22 ILE 44 HG22 ILE 44 10.294 4.261 18.626
355 HG23 ILE 44 HG23 ILE 44 11.810 4.423 17.739
356 HD11 ILE 44 HD11 ILE 44 7.410 3.566 16.943
357 HD12 ILE 44 HD12 ILE 44 8.825 4.505 17.415
358 HD13 ILE 44 HD13 ILE 44 7.894 3.638 18.637
359 H SER 45 H SER 45 11.148 5.781 14.573
360 HA SER 45 HA SER 45 14.095 5.303 14.869
361 HB2 SER 45 HB2 SER 45 14.137 5.152 12.613
362 HB3 SER 45 HB3 SER 45 12.412 5.494 12.529
363 HG SER 45 HG SER 45 14.551 7.114 12.055
364 H ASP 46 H ASP 46 14.871 6.912 16.176
365 HA ASP 46 HA ASP 46 15.239 9.078 17.049
366 HB2 ASP 46 HB2 ASP 46 15.004 9.247 14.318
367 HB3 ASP 46 HB3 ASP 46 13.758 10.378 14.848
368 HA PRO 47 HA PRO 47 10.724 9.111 18.269
369 HB2 PRO 47 HB2 PRO 47 11.092 8.265 20.846
370 HB3 PRO 47 HB3 PRO 47 10.838 7.149 19.490
371 HG2 PRO 47 HG2 PRO 47 13.364 7.914 20.862
372 HG3 PRO 47 HG3 PRO 47 12.854 6.342 20.227
373 HD2 PRO 47 HD2 PRO 47 14.605 8.001 18.943
374 HD3 PRO 47 HD3 PRO 47 13.572 6.817 18.111
Start of MODEL 15
1 H LEU 1 H LEU 1 -10.349 -2.173 3.627
2 HA LEU 1 HA LEU 1 -7.409 -1.869 3.273
3 HB2 LEU 1 HB2 LEU 1 -9.771 -2.596 1.523
4 HB3 LEU 1 HB3 LEU 1 -8.221 -2.093 0.851
5 HG LEU 1 HG LEU 1 -8.569 -4.393 2.794
6 HD11 LEU 1 HD11 LEU 1 -7.732 -4.914 0.009
7 HD12 LEU 1 HD12 LEU 1 -9.404 -4.383 0.188
8 HD13 LEU 1 HD13 LEU 1 -8.840 -5.820 1.040
9 HD21 LEU 1 HD21 LEU 1 -6.210 -4.741 1.432
10 HD22 LEU 1 HD22 LEU 1 -6.339 -3.992 3.023
11 HD23 LEU 1 HD23 LEU 1 -6.279 -2.984 1.577
12 HA PRO 2 HA PRO 2 -9.264 2.317 3.309
13 HB2 PRO 2 HB2 PRO 2 -7.025 3.552 4.285
14 HB3 PRO 2 HB3 PRO 2 -8.240 2.783 5.325
15 HG2 PRO 2 HG2 PRO 2 -5.583 1.773 4.451
16 HG3 PRO 2 HG3 PRO 2 -6.404 1.590 6.009
17 HD2 PRO 2 HD2 PRO 2 -6.288 -0.373 4.106
18 HD3 PRO 2 HD3 PRO 2 -7.581 -0.243 5.318
19 H GLU 3 H GLU 3 -8.461 4.305 2.143
20 HA GLU 3 HA GLU 3 -7.636 3.834 -0.490
21 HB2 GLU 3 HB2 GLU 3 -8.619 5.915 0.140
22 HB3 GLU 3 HB3 GLU 3 -7.388 6.206 1.369
23 HG2 GLU 3 HG2 GLU 3 -6.168 5.813 -1.234
24 HG3 GLU 3 HG3 GLU 3 -7.353 7.119 -1.286
25 H GLU 4 H GLU 4 -5.639 4.346 2.389
26 HA GLU 4 HA GLU 4 -3.125 4.816 1.178
27 HB2 GLU 4 HB2 GLU 4 -4.241 4.230 3.725
28 HB3 GLU 4 HB3 GLU 4 -2.898 3.112 3.485
29 HG2 GLU 4 HG2 GLU 4 -1.430 5.017 2.894
30 HG3 GLU 4 HG3 GLU 4 -2.771 6.127 3.181
31 H LEU 5 H LEU 5 -4.710 1.727 1.975
32 HA LEU 5 HA LEU 5 -2.530 0.088 0.978
33 HB2 LEU 5 HB2 LEU 5 -5.441 -0.392 1.665
34 HB3 LEU 5 HB3 LEU 5 -4.331 -1.688 1.218
35 HG LEU 5 HG LEU 5 -4.111 0.176 3.593
36 HD11 LEU 5 HD11 LEU 5 -4.917 -1.561 4.790
37 HD12 LEU 5 HD12 LEU 5 -3.806 -2.690 4.015
38 HD13 LEU 5 HD13 LEU 5 -5.349 -2.309 3.252
39 HD21 LEU 5 HD21 LEU 5 -2.039 -1.364 4.017
40 HD22 LEU 5 HD22 LEU 5 -1.874 -0.010 2.899
41 HD23 LEU 5 HD23 LEU 5 -2.103 -1.644 2.276
42 H VAL 6 H VAL 6 -5.761 0.921 -0.288
43 HA VAL 6 HA VAL 6 -5.734 -0.480 -2.708
44 HB VAL 6 HB VAL 6 -6.705 2.351 -2.202
45 HG11 VAL 6 HG11 VAL 6 -8.512 0.898 -3.790
46 HG12 VAL 6 HG12 VAL 6 -6.918 0.518 -4.442
47 HG13 VAL 6 HG13 VAL 6 -7.446 2.197 -4.326
48 HG21 VAL 6 HG21 VAL 6 -7.857 1.298 -0.532
49 HG22 VAL 6 HG22 VAL 6 -7.581 -0.303 -1.218
50 HG23 VAL 6 HG23 VAL 6 -8.867 0.721 -1.859
51 H HIS 7 H HIS 7 -4.115 2.563 -1.902
52 HA HIS 7 HA HIS 7 -3.265 3.266 -4.552
53 HB2 HIS 7 HB2 HIS 7 -2.721 3.980 -1.739
54 HB3 HIS 7 HB3 HIS 7 -1.372 4.280 -2.836
55 HD1 HIS 7 HD1 HIS 7 -1.500 6.384 -4.180
56 HD2 HIS 7 HD2 HIS 7 -5.246 5.233 -2.758
57 HE1 HIS 7 HE1 HIS 7 -3.111 8.227 -4.832
58 H ALA 8 H ALA 8 -1.772 1.286 -1.992
59 HA ALA 8 HA ALA 8 0.748 0.865 -3.298
60 HB1 ALA 8 HB1 ALA 8 1.028 0.001 -1.230
61 HB2 ALA 8 HB2 ALA 8 0.039 -1.379 -1.705
62 HB3 ALA 8 HB3 ALA 8 -0.714 0.030 -0.958
63 H GLY 9 H GLY 9 -2.417 -0.580 -3.710
64 HA2 GLY 9 HA2 GLY 9 -2.899 -1.704 -5.851
65 HA3 GLY 9 HA3 GLY 9 -1.252 -2.336 -5.826
66 H TRP 10 H TRP 10 -3.271 -2.297 -2.948
67 HA TRP 10 HA TRP 10 -3.040 -5.246 -2.804
68 HB2 TRP 10 HB2 TRP 10 -3.866 -2.997 -0.964
69 HB3 TRP 10 HB3 TRP 10 -4.132 -4.680 -0.514
70 HD1 TRP 10 HD1 TRP 10 -1.471 -2.053 -0.772
71 HE1 TRP 10 HE1 TRP 10 0.791 -3.024 -0.004
72 HE3 TRP 10 HE3 TRP 10 -2.688 -7.008 -0.484
73 HZ2 TRP 10 HZ2 TRP 10 1.933 -5.564 0.644
74 HZ3 TRP 10 HZ3 TRP 10 -0.994 -8.677 0.211
75 HH2 TRP 10 HH2 TRP 10 1.313 -7.962 0.775
76 H GLU 11 H GLU 11 -4.992 -6.538 -2.273
77 HA GLU 11 HA GLU 11 -7.647 -5.386 -2.755
78 HB2 GLU 11 HB2 GLU 11 -7.970 -6.866 -4.795
79 HB3 GLU 11 HB3 GLU 11 -6.848 -5.526 -5.029
80 HG2 GLU 11 HG2 GLU 11 -5.175 -6.953 -5.504
81 HG3 GLU 11 HG3 GLU 11 -5.424 -7.801 -3.977
82 H LYS 12 H LYS 12 -9.303 -6.864 -2.119
83 HA LYS 12 HA LYS 12 -8.324 -9.225 -0.599
84 HB2 LYS 12 HB2 LYS 12 -9.975 -7.253 0.097
85 HB3 LYS 12 HB3 LYS 12 -11.172 -8.297 -0.672
86 HG2 LYS 12 HG2 LYS 12 -9.886 -10.145 0.805
87 HG3 LYS 12 HG3 LYS 12 -9.602 -8.730 1.820
88 HD2 LYS 12 HD2 LYS 12 -11.982 -8.275 1.950
89 HD3 LYS 12 HD3 LYS 12 -12.330 -9.560 0.792
90 HE2 LYS 12 HE2 LYS 12 -10.764 -10.717 2.877
91 HE3 LYS 12 HE3 LYS 12 -12.070 -9.787 3.638
92 HZ1 LYS 12 HZ1 LYS 12 -12.617 -12.141 2.855
93 HZ2 LYS 12 HZ2 LYS 12 -12.569 -11.504 1.284
94 HZ3 LYS 12 HZ3 LYS 12 -13.688 -10.899 2.410
95 H CYS 13 H CYS 13 -8.607 -11.270 -1.403
96 HA CYS 13 HA CYS 13 -10.817 -11.779 -3.341
97 HB2 CYS 13 HB2 CYS 13 -7.851 -11.974 -3.767
98 HB3 CYS 13 HB3 CYS 13 -8.909 -13.104 -4.611
99 HG CYS 13 HG CYS 13 -9.558 -10.074 -4.870
100 H TRP 14 H TRP 14 -10.402 -14.369 -3.944
101 HA TRP 14 HA TRP 14 -10.160 -15.744 -1.282
102 HB2 TRP 14 HB2 TRP 14 -12.447 -15.676 -2.066
103 HB3 TRP 14 HB3 TRP 14 -11.962 -16.208 -3.676
104 HD1 TRP 14 HD1 TRP 14 -11.228 -18.759 -3.973
105 HE1 TRP 14 HE1 TRP 14 -11.724 -20.857 -2.559
106 HE3 TRP 14 HE3 TRP 14 -12.826 -16.554 0.346
107 HZ2 TRP 14 HZ2 TRP 14 -12.674 -21.513 0.058
108 HZ3 TRP 14 HZ3 TRP 14 -13.521 -17.936 2.282
109 HH2 TRP 14 HH2 TRP 14 -13.446 -20.411 2.143
110 H SER 15 H SER 15 -8.124 -16.709 -1.404
111 HA SER 15 HA SER 15 -6.983 -17.731 -3.871
112 HB2 SER 15 HB2 SER 15 -5.848 -16.855 -1.729
113 HB3 SER 15 HB3 SER 15 -6.211 -18.430 -1.029
114 HG SER 15 HG SER 15 -4.191 -18.542 -1.955
115 H ARG 16 H ARG 16 -7.318 -19.744 -4.751
116 HA ARG 16 HA ARG 16 -9.205 -21.596 -3.538
117 HB2 ARG 16 HB2 ARG 16 -7.325 -21.913 -5.899
118 HB3 ARG 16 HB3 ARG 16 -8.786 -22.852 -5.593
119 HG2 ARG 16 HG2 ARG 16 -10.113 -21.245 -6.460
120 HG3 ARG 16 HG3 ARG 16 -9.299 -19.979 -5.538
121 HD2 ARG 16 HD2 ARG 16 -8.640 -19.331 -7.661
122 HD3 ARG 16 HD3 ARG 16 -7.360 -20.523 -7.354
123 HE ARG 16 HE ARG 16 -9.103 -22.194 -8.380
124 HH11 ARG 16 HH11 ARG 16 -7.386 -20.958 -10.427
125 HH12 ARG 16 HH12 ARG 16 -8.527 -20.243 -11.516
126 HH21 ARG 16 HH21 ARG 16 -11.161 -20.376 -9.264
127 HH22 ARG 16 HH22 ARG 16 -10.665 -19.912 -10.858
128 H ARG 17 H ARG 17 -5.673 -21.611 -4.083
129 HA ARG 17 HA ARG 17 -5.089 -24.229 -3.194
130 HB2 ARG 17 HB2 ARG 17 -3.707 -21.591 -3.366
131 HB3 ARG 17 HB3 ARG 17 -2.919 -22.846 -2.410
132 HG2 ARG 17 HG2 ARG 17 -3.096 -24.399 -4.344
133 HG3 ARG 17 HG3 ARG 17 -3.802 -23.096 -5.300
134 HD2 ARG 17 HD2 ARG 17 -1.692 -21.739 -4.741
135 HD3 ARG 17 HD3 ARG 17 -0.992 -23.271 -4.183
136 HE ARG 17 HE ARG 17 -1.669 -24.158 -6.512
137 HH11 ARG 17 HH11 ARG 17 -0.146 -21.220 -5.751
138 HH12 ARG 17 HH12 ARG 17 -0.022 -20.678 -7.391
139 HH21 ARG 17 HH21 ARG 17 -1.874 -23.309 -8.682
140 HH22 ARG 17 HH22 ARG 17 -0.999 -21.860 -9.050
141 H GLU 18 H GLU 18 -5.440 -21.232 -1.312
142 HA GLU 18 HA GLU 18 -4.979 -22.657 1.232
143 HB2 GLU 18 HB2 GLU 18 -4.955 -19.960 0.162
144 HB3 GLU 18 HB3 GLU 18 -5.882 -20.030 1.662
145 HG2 GLU 18 HG2 GLU 18 -3.031 -20.955 1.236
146 HG3 GLU 18 HG3 GLU 18 -3.572 -19.613 2.244
147 H ASN 19 H ASN 19 -7.631 -21.900 -0.798
148 HA ASN 19 HA ASN 19 -9.958 -22.171 -0.512
149 HB2 ASN 19 HB2 ASN 19 -9.154 -24.348 0.349
150 HB3 ASN 19 HB3 ASN 19 -8.961 -23.640 1.952
151 HD21 ASN 19 HD21 ASN 19 -10.622 -24.765 3.077
152 HD22 ASN 19 HD22 ASN 19 -12.263 -24.674 2.652
153 H ARG 20 H ARG 20 -9.008 -19.701 0.292
154 HA ARG 20 HA ARG 20 -11.024 -18.826 2.169
155 HB2 ARG 20 HB2 ARG 20 -9.338 -18.145 3.938
156 HB3 ARG 20 HB3 ARG 20 -9.556 -19.885 3.775
157 HG2 ARG 20 HG2 ARG 20 -7.317 -20.015 3.508
158 HG3 ARG 20 HG3 ARG 20 -7.570 -19.292 1.919
159 HD2 ARG 20 HD2 ARG 20 -6.684 -17.299 2.572
160 HD3 ARG 20 HD3 ARG 20 -7.550 -17.329 4.121
161 HE ARG 20 HE ARG 20 -4.847 -18.255 3.714
162 HH11 ARG 20 HH11 ARG 20 -7.811 -18.798 5.397
163 HH12 ARG 20 HH12 ARG 20 -7.070 -19.698 6.678
164 HH21 ARG 20 HH21 ARG 20 -3.877 -19.480 5.347
165 HH22 ARG 20 HH22 ARG 20 -4.845 -20.083 6.651
166 HA PRO 21 HA PRO 21 -9.742 -15.039 0.363
167 HB2 PRO 21 HB2 PRO 21 -10.469 -13.208 2.258
168 HB3 PRO 21 HB3 PRO 21 -11.630 -14.107 1.267
169 HG2 PRO 21 HG2 PRO 21 -10.996 -14.395 4.104
170 HG3 PRO 21 HG3 PRO 21 -12.409 -14.945 3.197
171 HD2 PRO 21 HD2 PRO 21 -10.151 -16.485 4.056
172 HD3 PRO 21 HD3 PRO 21 -11.583 -17.043 3.166
173 H TYR 22 H TYR 22 -8.300 -13.145 0.521
174 HA TYR 22 HA TYR 22 -6.435 -12.879 2.750
175 HB2 TYR 22 HB2 TYR 22 -4.500 -13.785 1.583
176 HB3 TYR 22 HB3 TYR 22 -5.765 -15.011 1.593
177 HD1 TYR 22 HD1 TYR 22 -7.433 -14.915 -0.465
178 HD2 TYR 22 HD2 TYR 22 -3.470 -13.260 -0.449
179 HE1 TYR 22 HE1 TYR 22 -7.394 -14.987 -2.944
180 HE2 TYR 22 HE2 TYR 22 -3.431 -13.332 -2.929
181 HH TYR 22 HH TYR 22 -4.686 -13.623 -4.777
182 H TYR 23 H TYR 23 -4.269 -11.885 1.073
183 HA TYR 23 HA TYR 23 -5.603 -9.587 -0.317
184 HB2 TYR 23 HB2 TYR 23 -3.377 -9.639 1.737
185 HB3 TYR 23 HB3 TYR 23 -3.700 -8.229 0.729
186 HD1 TYR 23 HD1 TYR 23 -5.005 -10.388 3.421
187 HD2 TYR 23 HD2 TYR 23 -5.730 -6.908 1.009
188 HE1 TYR 23 HE1 TYR 23 -6.831 -9.708 4.952
189 HE2 TYR 23 HE2 TYR 23 -7.558 -6.228 2.539
190 HH TYR 23 HH TYR 23 -8.050 -7.733 5.595
191 H PHE 24 H PHE 24 -4.729 -9.195 -2.327
192 HA PHE 24 HA PHE 24 -2.087 -10.468 -2.968
193 HB2 PHE 24 HB2 PHE 24 -3.834 -11.727 -4.019
194 HB3 PHE 24 HB3 PHE 24 -4.677 -10.261 -4.522
195 HD1 PHE 24 HD1 PHE 24 -1.430 -12.076 -4.941
196 HD2 PHE 24 HD2 PHE 24 -4.260 -9.324 -6.636
197 HE1 PHE 24 HE1 PHE 24 -0.145 -12.061 -7.062
198 HE2 PHE 24 HE2 PHE 24 -2.975 -9.309 -8.757
199 HZ PHE 24 HZ PHE 24 -0.918 -10.678 -8.971
200 H ASN 25 H ASN 25 -0.643 -8.818 -3.267
201 HA ASN 25 HA ASN 25 -1.481 -6.122 -4.008
202 HB2 ASN 25 HB2 ASN 25 0.559 -7.181 -2.603
203 HB3 ASN 25 HB3 ASN 25 1.349 -7.033 -4.167
204 HD21 ASN 25 HD21 ASN 25 -1.103 -4.902 -2.657
205 HD22 ASN 25 HD22 ASN 25 -0.143 -3.503 -2.703
206 H ARG 26 H ARG 26 -2.360 -6.187 -6.128
207 HA ARG 26 HA ARG 26 -1.374 -7.634 -8.352
208 HB2 ARG 26 HB2 ARG 26 -2.746 -6.113 -9.613
209 HB3 ARG 26 HB3 ARG 26 -3.530 -6.307 -8.045
210 HG2 ARG 26 HG2 ARG 26 -2.579 -4.217 -7.251
211 HG3 ARG 26 HG3 ARG 26 -1.632 -4.044 -8.729
212 HD2 ARG 26 HD2 ARG 26 -3.643 -3.770 -10.064
213 HD3 ARG 26 HD3 ARG 26 -4.669 -4.134 -8.663
214 HE ARG 26 HE ARG 26 -2.932 -2.019 -7.918
215 HH11 ARG 26 HH11 ARG 26 -4.259 -1.901 -10.901
216 HH12 ARG 26 HH12 ARG 26 -5.391 -0.628 -10.588
217 HH21 ARG 26 HH21 ARG 26 -4.935 -0.705 -7.153
218 HH22 ARG 26 HH22 ARG 26 -5.773 0.048 -8.468
219 H PHE 27 H PHE 27 0.036 -4.952 -6.698
220 HA PHE 27 HA PHE 27 1.542 -3.887 -8.962
221 HB2 PHE 27 HB2 PHE 27 0.734 -2.972 -6.545
222 HB3 PHE 27 HB3 PHE 27 2.383 -3.447 -6.145
223 HD1 PHE 27 HD1 PHE 27 3.754 -2.947 -8.740
224 HD2 PHE 27 HD2 PHE 27 0.834 -0.609 -6.628
225 HE1 PHE 27 HE1 PHE 27 4.606 -0.892 -9.837
226 HE2 PHE 27 HE2 PHE 27 1.687 1.446 -7.724
227 HZ PHE 27 HZ PHE 27 3.573 1.305 -9.328
228 H THR 28 H THR 28 2.698 -5.387 -5.909
229 HA THR 28 HA THR 28 5.122 -6.330 -7.355
230 HB THR 28 HB THR 28 5.318 -5.076 -5.234
231 HG1 THR 28 HG1 THR 28 5.953 -7.705 -4.538
232 HG21 THR 28 HG21 THR 28 3.172 -6.851 -4.485
233 HG22 THR 28 HG22 THR 28 3.769 -5.422 -3.644
234 HG23 THR 28 HG23 THR 28 4.501 -6.997 -3.336
235 H ASN 29 H ASN 29 2.227 -7.560 -7.317
236 HA ASN 29 HA ASN 29 1.340 -9.745 -7.418
237 HB2 ASN 29 HB2 ASN 29 3.315 -9.944 -8.905
238 HB3 ASN 29 HB3 ASN 29 4.306 -10.378 -7.511
239 HD21 ASN 29 HD21 ASN 29 1.360 -11.459 -9.281
240 HD22 ASN 29 HD22 ASN 29 1.569 -13.105 -8.923
241 H GLN 30 H GLN 30 2.339 -8.502 -4.747
242 HA GLN 30 HA GLN 30 3.291 -10.577 -3.038
243 HB2 GLN 30 HB2 GLN 30 2.473 -7.869 -2.925
244 HB3 GLN 30 HB3 GLN 30 1.511 -8.724 -1.717
245 HG2 GLN 30 HG2 GLN 30 3.492 -9.614 -0.666
246 HG3 GLN 30 HG3 GLN 30 4.513 -9.000 -1.966
247 HE21 GLN 30 HE21 GLN 30 3.532 -8.297 1.155
248 HE22 GLN 30 HE22 GLN 30 3.782 -6.618 1.146
249 H SER 31 H SER 31 2.021 -11.711 -1.365
250 HA SER 31 HA SER 31 -0.888 -12.022 -1.865
251 HB2 SER 31 HB2 SER 31 -0.642 -14.430 -2.214
252 HB3 SER 31 HB3 SER 31 0.375 -13.581 -3.375
253 HG SER 31 HG SER 31 2.068 -13.844 -1.696
254 H LEU 32 H LEU 32 -0.918 -11.048 0.312
255 HA LEU 32 HA LEU 32 0.321 -12.541 2.532
256 HB2 LEU 32 HB2 LEU 32 -1.526 -10.133 2.423
257 HB3 LEU 32 HB3 LEU 32 -0.624 -10.669 3.841
258 HG LEU 32 HG LEU 32 0.538 -9.686 1.220
259 HD11 LEU 32 HD11 LEU 32 1.557 -7.976 2.780
260 HD12 LEU 32 HD12 LEU 32 0.513 -8.609 4.053
261 HD13 LEU 32 HD13 LEU 32 -0.197 -7.861 2.622
262 HD21 LEU 32 HD21 LEU 32 1.743 -11.072 3.604
263 HD22 LEU 32 HD22 LEU 32 2.701 -9.922 2.671
264 HD23 LEU 32 HD23 LEU 32 2.041 -11.359 1.890
265 H TRP 33 H TRP 33 -1.645 -12.191 4.472
266 HA TRP 33 HA TRP 33 -3.999 -13.770 3.515
267 HB2 TRP 33 HB2 TRP 33 -2.216 -14.313 5.911
268 HB3 TRP 33 HB3 TRP 33 -3.658 -15.234 5.493
269 HD1 TRP 33 HD1 TRP 33 -0.086 -15.316 5.065
270 HE1 TRP 33 HE1 TRP 33 0.613 -16.851 3.111
271 HE3 TRP 33 HE3 TRP 33 -4.593 -15.883 2.757
272 HZ2 TRP 33 HZ2 TRP 33 -0.595 -18.146 0.860
273 HZ3 TRP 33 HZ3 TRP 33 -4.797 -17.269 0.711
274 HH2 TRP 33 HH2 TRP 33 -2.807 -18.399 -0.239
275 H GLU 34 H GLU 34 -2.948 -11.009 4.944
276 HA GLU 34 HA GLU 34 -5.530 -10.564 6.309
277 HB2 GLU 34 HB2 GLU 34 -3.087 -11.313 7.650
278 HB3 GLU 34 HB3 GLU 34 -3.528 -9.670 8.117
279 HG2 GLU 34 HG2 GLU 34 -5.924 -10.643 8.417
280 HG3 GLU 34 HG3 GLU 34 -5.112 -12.209 8.448
281 H MET 35 H MET 35 -5.977 -8.296 6.492
282 HA MET 35 HA MET 35 -5.118 -6.522 4.577
283 HB2 MET 35 HB2 MET 35 -6.415 -6.448 7.165
284 HB3 MET 35 HB3 MET 35 -5.457 -4.987 6.915
285 HG2 MET 35 HG2 MET 35 -6.738 -5.522 4.453
286 HG3 MET 35 HG3 MET 35 -7.965 -5.725 5.700
287 HE1 MET 35 HE1 MET 35 -7.665 -2.478 7.754
288 HE2 MET 35 HE2 MET 35 -6.284 -3.576 7.881
289 HE3 MET 35 HE3 MET 35 -7.921 -4.221 7.780
290 HA PRO 36 HA PRO 36 -0.872 -5.872 5.719
291 HB2 PRO 36 HB2 PRO 36 -0.252 -4.231 3.622
292 HB3 PRO 36 HB3 PRO 36 -0.411 -5.990 3.457
293 HG2 PRO 36 HG2 PRO 36 -2.267 -3.843 2.640
294 HG3 PRO 36 HG3 PRO 36 -2.005 -5.443 1.935
295 HD2 PRO 36 HD2 PRO 36 -4.128 -4.702 3.594
296 HD3 PRO 36 HD3 PRO 36 -3.655 -6.362 3.182
297 H VAL 37 H VAL 37 0.546 -3.683 5.741
298 HA VAL 37 HA VAL 37 -1.180 -1.473 6.810
299 HB VAL 37 HB VAL 37 1.518 -2.331 7.883
300 HG11 VAL 37 HG11 VAL 37 -0.648 -0.426 8.681
301 HG12 VAL 37 HG12 VAL 37 1.103 -0.227 8.758
302 HG13 VAL 37 HG13 VAL 37 0.274 -1.222 9.956
303 HG21 VAL 37 HG21 VAL 37 -1.267 -3.252 8.639
304 HG22 VAL 37 HG22 VAL 37 0.118 -3.411 9.720
305 HG23 VAL 37 HG23 VAL 37 0.108 -4.253 8.171
306 H LEU 38 H LEU 38 0.127 0.640 6.904
307 HA LEU 38 HA LEU 38 2.402 0.836 5.035
308 HB2 LEU 38 HB2 LEU 38 -0.263 1.030 4.143
309 HB3 LEU 38 HB3 LEU 38 0.324 2.691 4.214
310 HG LEU 38 HG LEU 38 2.402 1.058 3.117
311 HD11 LEU 38 HD11 LEU 38 1.417 -0.114 1.377
312 HD12 LEU 38 HD12 LEU 38 -0.014 0.918 1.353
313 HD13 LEU 38 HD13 LEU 38 0.174 -0.301 2.614
314 HD21 LEU 38 HD21 LEU 38 1.064 2.666 1.149
315 HD22 LEU 38 HD22 LEU 38 2.591 2.987 1.968
316 HD23 LEU 38 HD23 LEU 38 1.076 3.542 2.679
317 H GLY 39 H GLY 39 3.322 3.043 5.060
318 HA2 GLY 39 HA2 GLY 39 2.219 4.917 7.062
319 HA3 GLY 39 HA3 GLY 39 3.822 4.265 7.401
320 H GLN 40 H GLN 40 1.997 5.953 4.834
321 HA GLN 40 HA GLN 40 4.531 6.979 3.687
322 HB2 GLN 40 HB2 GLN 40 1.597 7.065 2.943
323 HB3 GLN 40 HB3 GLN 40 2.832 7.919 2.019
324 HG2 GLN 40 HG2 GLN 40 3.959 5.433 2.254
325 HG3 GLN 40 HG3 GLN 40 2.245 5.033 2.144
326 HE21 GLN 40 HE21 GLN 40 1.342 5.051 0.069
327 HE22 GLN 40 HE22 GLN 40 2.082 5.733 -1.298
328 H HIS 41 H HIS 41 3.531 9.475 2.769
329 HA HIS 41 HA HIS 41 3.381 11.724 3.482
330 HB2 HIS 41 HB2 HIS 41 1.782 10.256 5.603
331 HB3 HIS 41 HB3 HIS 41 1.772 12.008 5.400
332 HD1 HIS 41 HD1 HIS 41 0.383 8.875 3.994
333 HD2 HIS 41 HD2 HIS 41 0.608 12.886 2.877
334 HE1 HIS 41 HE1 HIS 41 -1.271 9.186 2.101
335 H ASP 42 H ASP 42 5.812 11.325 3.985
336 HA ASP 42 HA ASP 42 6.585 10.947 6.772
337 HB2 ASP 42 HB2 ASP 42 7.847 11.541 4.131
338 HB3 ASP 42 HB3 ASP 42 8.775 11.945 5.575
339 H VAL 43 H VAL 43 8.419 12.902 7.301
340 HA VAL 43 HA VAL 43 8.460 15.035 8.348
341 HB VAL 43 HB VAL 43 7.303 15.583 5.594
342 HG11 VAL 43 HG11 VAL 43 8.498 17.354 7.719
343 HG12 VAL 43 HG12 VAL 43 7.040 17.609 6.759
344 HG13 VAL 43 HG13 VAL 43 8.629 17.788 6.014
345 HG21 VAL 43 HG21 VAL 43 9.743 16.051 5.086
346 HG22 VAL 43 HG22 VAL 43 9.375 14.359 5.418
347 HG23 VAL 43 HG23 VAL 43 10.132 15.358 6.659
348 H ILE 44 H ILE 44 6.341 13.806 9.450
349 HA ILE 44 HA ILE 44 3.745 14.903 8.924
350 HB ILE 44 HB ILE 44 4.958 13.827 11.491
351 HG12 ILE 44 HG12 ILE 44 3.688 12.462 9.100
352 HG13 ILE 44 HG13 ILE 44 5.317 12.219 9.731
353 HG21 ILE 44 HG21 ILE 44 2.655 15.029 11.488
354 HG22 ILE 44 HG22 ILE 44 2.750 13.428 12.221
355 HG23 ILE 44 HG23 ILE 44 2.084 13.617 10.599
356 HD11 ILE 44 HD11 ILE 44 4.353 11.340 11.842
357 HD12 ILE 44 HD12 ILE 44 3.857 10.381 10.447
358 HD13 ILE 44 HD13 ILE 44 2.735 11.536 11.167
359 H SER 45 H SER 45 3.659 17.168 8.868
360 HA SER 45 HA SER 45 4.691 18.636 11.269
361 HB2 SER 45 HB2 SER 45 5.632 19.171 9.015
362 HB3 SER 45 HB3 SER 45 4.013 19.608 8.474
363 HG SER 45 HG SER 45 5.024 21.466 9.157
364 H ASP 46 H ASP 46 2.489 17.717 12.165
365 HA ASP 46 HA ASP 46 0.369 19.764 11.608
366 HB2 ASP 46 HB2 ASP 46 -0.030 16.799 12.128
367 HB3 ASP 46 HB3 ASP 46 -1.276 17.969 11.688
368 HA PRO 47 HA PRO 47 0.412 20.201 15.989
369 HB2 PRO 47 HB2 PRO 47 -2.071 21.295 16.344
370 HB3 PRO 47 HB3 PRO 47 -0.707 22.199 15.657
371 HG2 PRO 47 HG2 PRO 47 -3.012 20.919 14.283
372 HG3 PRO 47 HG3 PRO 47 -2.184 22.440 13.921
373 HD2 PRO 47 HD2 PRO 47 -1.780 20.116 12.535
374 HD3 PRO 47 HD3 PRO 47 -0.573 21.414 12.669
Start of MODEL 16
1 H LEU 1 H LEU 1 -10.168 -2.413 3.896
2 HA LEU 1 HA LEU 1 -8.126 -1.877 3.076
3 HB2 LEU 1 HB2 LEU 1 -9.464 -2.547 0.444
4 HB3 LEU 1 HB3 LEU 1 -7.803 -1.960 0.542
5 HG LEU 1 HG LEU 1 -8.583 -4.255 2.294
6 HD11 LEU 1 HD11 LEU 1 -9.519 -4.905 0.128
7 HD12 LEU 1 HD12 LEU 1 -8.049 -5.828 0.437
8 HD13 LEU 1 HD13 LEU 1 -8.015 -4.463 -0.679
9 HD21 LEU 1 HD21 LEU 1 -6.340 -4.388 2.525
10 HD22 LEU 1 HD22 LEU 1 -6.235 -2.870 1.633
11 HD23 LEU 1 HD23 LEU 1 -6.104 -4.407 0.778
12 HA PRO 2 HA PRO 2 -9.825 2.277 2.617
13 HB2 PRO 2 HB2 PRO 2 -7.793 3.510 3.971
14 HB3 PRO 2 HB3 PRO 2 -9.152 2.712 4.785
15 HG2 PRO 2 HG2 PRO 2 -6.374 1.751 4.356
16 HG3 PRO 2 HG3 PRO 2 -7.450 1.516 5.741
17 HD2 PRO 2 HD2 PRO 2 -6.966 -0.385 3.819
18 HD3 PRO 2 HD3 PRO 2 -8.431 -0.329 4.824
19 H GLU 3 H GLU 3 -8.779 4.325 1.688
20 HA GLU 3 HA GLU 3 -7.589 3.909 -0.809
21 HB2 GLU 3 HB2 GLU 3 -8.639 5.994 -0.003
22 HB3 GLU 3 HB3 GLU 3 -7.288 6.252 1.101
23 HG2 GLU 3 HG2 GLU 3 -5.833 6.836 -0.591
24 HG3 GLU 3 HG3 GLU 3 -6.652 5.830 -1.786
25 H GLU 4 H GLU 4 -6.043 4.043 2.351
26 HA GLU 4 HA GLU 4 -3.359 4.551 1.594
27 HB2 GLU 4 HB2 GLU 4 -4.643 2.890 3.776
28 HB3 GLU 4 HB3 GLU 4 -2.909 3.210 3.720
29 HG2 GLU 4 HG2 GLU 4 -5.034 5.373 3.718
30 HG3 GLU 4 HG3 GLU 4 -4.171 4.832 5.159
31 H LEU 5 H LEU 5 -4.938 1.377 2.067
32 HA LEU 5 HA LEU 5 -2.696 -0.112 0.994
33 HB2 LEU 5 HB2 LEU 5 -5.591 -0.716 1.630
34 HB3 LEU 5 HB3 LEU 5 -4.478 -1.951 1.045
35 HG LEU 5 HG LEU 5 -4.077 -0.258 3.529
36 HD11 LEU 5 HD11 LEU 5 -4.717 -3.208 3.212
37 HD12 LEU 5 HD12 LEU 5 -5.853 -1.973 3.755
38 HD13 LEU 5 HD13 LEU 5 -4.442 -2.367 4.738
39 HD21 LEU 5 HD21 LEU 5 -1.904 -0.754 2.902
40 HD22 LEU 5 HD22 LEU 5 -2.378 -2.204 2.019
41 HD23 LEU 5 HD23 LEU 5 -2.295 -2.232 3.781
42 H VAL 6 H VAL 6 -5.844 0.907 -0.317
43 HA VAL 6 HA VAL 6 -5.796 -0.407 -2.805
44 HB VAL 6 HB VAL 6 -6.791 2.306 -1.901
45 HG11 VAL 6 HG11 VAL 6 -8.249 2.142 -3.992
46 HG12 VAL 6 HG12 VAL 6 -7.134 0.898 -4.558
47 HG13 VAL 6 HG13 VAL 6 -6.553 2.538 -4.270
48 HG21 VAL 6 HG21 VAL 6 -8.127 0.744 -0.840
49 HG22 VAL 6 HG22 VAL 6 -7.872 -0.476 -2.087
50 HG23 VAL 6 HG23 VAL 6 -8.987 0.859 -2.374
51 H HIS 7 H HIS 7 -4.141 2.548 -1.786
52 HA HIS 7 HA HIS 7 -3.181 3.371 -4.362
53 HB2 HIS 7 HB2 HIS 7 -2.846 3.991 -1.528
54 HB3 HIS 7 HB3 HIS 7 -1.337 4.177 -2.420
55 HD1 HIS 7 HD1 HIS 7 -1.960 6.821 -1.795
56 HD2 HIS 7 HD2 HIS 7 -4.212 4.966 -4.773
57 HE1 HIS 7 HE1 HIS 7 -3.066 8.676 -3.117
58 H ALA 8 H ALA 8 -1.798 1.260 -1.843
59 HA ALA 8 HA ALA 8 0.752 0.851 -3.086
60 HB1 ALA 8 HB1 ALA 8 0.208 -1.430 -1.640
61 HB2 ALA 8 HB2 ALA 8 -0.914 -0.269 -0.929
62 HB3 ALA 8 HB3 ALA 8 0.816 0.073 -0.944
63 H GLY 9 H GLY 9 -2.392 -0.693 -3.518
64 HA2 GLY 9 HA2 GLY 9 -2.856 -1.672 -5.755
65 HA3 GLY 9 HA3 GLY 9 -1.201 -2.283 -5.751
66 H TRP 10 H TRP 10 -3.250 -2.399 -2.896
67 HA TRP 10 HA TRP 10 -2.977 -5.345 -2.864
68 HB2 TRP 10 HB2 TRP 10 -3.946 -3.214 -0.942
69 HB3 TRP 10 HB3 TRP 10 -4.026 -4.934 -0.563
70 HD1 TRP 10 HD1 TRP 10 -1.617 -2.047 -0.892
71 HE1 TRP 10 HE1 TRP 10 0.729 -2.798 -0.136
72 HE3 TRP 10 HE3 TRP 10 -2.405 -7.073 -0.425
73 HZ2 TRP 10 HZ2 TRP 10 2.094 -5.209 0.570
74 HZ3 TRP 10 HZ3 TRP 10 -0.565 -8.570 0.290
75 HH2 TRP 10 HH2 TRP 10 1.680 -7.647 0.789
76 H GLU 11 H GLU 11 -4.793 -6.755 -2.844
77 HA GLU 11 HA GLU 11 -7.484 -5.540 -3.282
78 HB2 GLU 11 HB2 GLU 11 -6.198 -7.655 -5.039
79 HB3 GLU 11 HB3 GLU 11 -7.774 -6.902 -5.289
80 HG2 GLU 11 HG2 GLU 11 -6.277 -4.677 -5.171
81 HG3 GLU 11 HG3 GLU 11 -5.048 -5.796 -5.763
82 H LYS 12 H LYS 12 -8.922 -6.590 -1.971
83 HA LYS 12 HA LYS 12 -8.184 -9.002 -0.517
84 HB2 LYS 12 HB2 LYS 12 -9.753 -6.923 0.010
85 HB3 LYS 12 HB3 LYS 12 -10.984 -7.948 -0.729
86 HG2 LYS 12 HG2 LYS 12 -10.085 -9.799 0.854
87 HG3 LYS 12 HG3 LYS 12 -9.340 -8.470 1.743
88 HD2 LYS 12 HD2 LYS 12 -11.360 -7.620 2.444
89 HD3 LYS 12 HD3 LYS 12 -12.212 -8.172 1.002
90 HE2 LYS 12 HE2 LYS 12 -12.630 -10.264 1.885
91 HE3 LYS 12 HE3 LYS 12 -11.128 -10.275 2.831
92 HZ1 LYS 12 HZ1 LYS 12 -13.091 -9.935 4.242
93 HZ2 LYS 12 HZ2 LYS 12 -13.475 -8.532 3.372
94 HZ3 LYS 12 HZ3 LYS 12 -12.044 -8.599 4.285
95 H CYS 13 H CYS 13 -8.328 -11.029 -1.407
96 HA CYS 13 HA CYS 13 -10.632 -11.617 -3.222
97 HB2 CYS 13 HB2 CYS 13 -7.691 -12.198 -3.695
98 HB3 CYS 13 HB3 CYS 13 -9.002 -12.793 -4.714
99 HG CYS 13 HG CYS 13 -7.802 -10.068 -4.939
100 H TRP 14 H TRP 14 -10.591 -14.134 -3.656
101 HA TRP 14 HA TRP 14 -10.074 -15.495 -1.032
102 HB2 TRP 14 HB2 TRP 14 -12.410 -15.374 -1.541
103 HB3 TRP 14 HB3 TRP 14 -12.137 -15.822 -3.224
104 HD1 TRP 14 HD1 TRP 14 -11.443 -18.377 -3.721
105 HE1 TRP 14 HE1 TRP 14 -11.921 -20.538 -2.398
106 HE3 TRP 14 HE3 TRP 14 -12.727 -16.379 0.801
107 HZ2 TRP 14 HZ2 TRP 14 -12.740 -21.316 0.230
108 HZ3 TRP 14 HZ3 TRP 14 -13.352 -17.851 2.693
109 HH2 TRP 14 HH2 TRP 14 -13.359 -20.314 2.415
110 H SER 15 H SER 15 -8.183 -16.682 -1.258
111 HA SER 15 HA SER 15 -7.225 -17.686 -3.807
112 HB2 SER 15 HB2 SER 15 -6.034 -17.011 -1.552
113 HB3 SER 15 HB3 SER 15 -6.345 -18.688 -1.111
114 HG SER 15 HG SER 15 -4.302 -18.269 -2.206
115 H ARG 16 H ARG 16 -8.252 -19.396 -4.794
116 HA ARG 16 HA ARG 16 -9.989 -21.257 -3.482
117 HB2 ARG 16 HB2 ARG 16 -8.740 -20.806 -6.119
118 HB3 ARG 16 HB3 ARG 16 -9.156 -22.489 -5.791
119 HG2 ARG 16 HG2 ARG 16 -11.222 -20.507 -5.033
120 HG3 ARG 16 HG3 ARG 16 -10.928 -20.666 -6.765
121 HD2 ARG 16 HD2 ARG 16 -11.707 -22.842 -6.836
122 HD3 ARG 16 HD3 ARG 16 -11.177 -23.192 -5.178
123 HE ARG 16 HE ARG 16 -13.064 -21.576 -4.481
124 HH11 ARG 16 HH11 ARG 16 -13.394 -24.320 -6.300
125 HH12 ARG 16 HH12 ARG 16 -14.965 -23.954 -6.931
126 HH21 ARG 16 HH21 ARG 16 -14.962 -20.688 -5.768
127 HH22 ARG 16 HH22 ARG 16 -15.853 -21.897 -6.628
128 H ARG 17 H ARG 17 -6.523 -21.360 -4.231
129 HA ARG 17 HA ARG 17 -6.089 -24.137 -3.675
130 HB2 ARG 17 HB2 ARG 17 -4.500 -21.614 -3.864
131 HB3 ARG 17 HB3 ARG 17 -3.718 -23.017 -3.135
132 HG2 ARG 17 HG2 ARG 17 -3.966 -24.320 -5.096
133 HG3 ARG 17 HG3 ARG 17 -5.175 -23.226 -5.770
134 HD2 ARG 17 HD2 ARG 17 -3.281 -21.439 -5.723
135 HD3 ARG 17 HD3 ARG 17 -2.189 -22.830 -5.570
136 HE ARG 17 HE ARG 17 -4.136 -23.290 -7.651
137 HH11 ARG 17 HH11 ARG 17 -1.126 -23.861 -7.677
138 HH12 ARG 17 HH12 ARG 17 -0.604 -22.801 -8.944
139 HH21 ARG 17 HH21 ARG 17 -3.526 -20.933 -8.945
140 HH22 ARG 17 HH22 ARG 17 -1.964 -21.144 -9.662
141 H GLU 18 H GLU 18 -5.711 -21.252 -1.611
142 HA GLU 18 HA GLU 18 -5.109 -22.849 0.769
143 HB2 GLU 18 HB2 GLU 18 -5.028 -20.117 -0.155
144 HB3 GLU 18 HB3 GLU 18 -5.839 -20.188 1.408
145 HG2 GLU 18 HG2 GLU 18 -3.078 -21.218 0.718
146 HG3 GLU 18 HG3 GLU 18 -3.491 -19.940 1.860
147 H ASN 19 H ASN 19 -7.945 -21.938 -0.863
148 HA ASN 19 HA ASN 19 -10.227 -22.138 -0.301
149 HB2 ASN 19 HB2 ASN 19 -9.369 -24.344 0.455
150 HB3 ASN 19 HB3 ASN 19 -9.009 -23.648 2.033
151 HD21 ASN 19 HD21 ASN 19 -10.795 -25.770 2.011
152 HD22 ASN 19 HD22 ASN 19 -12.374 -25.215 2.293
153 H ARG 20 H ARG 20 -9.006 -19.718 0.445
154 HA ARG 20 HA ARG 20 -10.806 -18.780 2.507
155 HB2 ARG 20 HB2 ARG 20 -8.974 -18.235 4.147
156 HB3 ARG 20 HB3 ARG 20 -9.248 -19.964 3.944
157 HG2 ARG 20 HG2 ARG 20 -7.128 -20.260 3.246
158 HG3 ARG 20 HG3 ARG 20 -7.350 -19.057 1.975
159 HD2 ARG 20 HD2 ARG 20 -5.954 -17.689 3.120
160 HD3 ARG 20 HD3 ARG 20 -7.164 -17.616 4.417
161 HE ARG 20 HE ARG 20 -5.654 -20.089 4.510
162 HH11 ARG 20 HH11 ARG 20 -6.616 -18.011 6.678
163 HH12 ARG 20 HH12 ARG 20 -5.085 -17.621 7.387
164 HH21 ARG 20 HH21 ARG 20 -3.233 -19.043 4.824
165 HH22 ARG 20 HH22 ARG 20 -3.171 -18.205 6.339
166 HA PRO 21 HA PRO 21 -9.499 -15.023 0.664
167 HB2 PRO 21 HB2 PRO 21 -10.140 -13.222 2.620
168 HB3 PRO 21 HB3 PRO 21 -11.348 -14.086 1.654
169 HG2 PRO 21 HG2 PRO 21 -10.624 -14.436 4.462
170 HG3 PRO 21 HG3 PRO 21 -12.071 -14.959 3.592
171 HD2 PRO 21 HD2 PRO 21 -9.784 -16.528 4.341
172 HD3 PRO 21 HD3 PRO 21 -11.261 -17.063 3.512
173 H TYR 22 H TYR 22 -8.035 -13.125 0.867
174 HA TYR 22 HA TYR 22 -6.120 -12.948 3.047
175 HB2 TYR 22 HB2 TYR 22 -4.210 -13.854 1.810
176 HB3 TYR 22 HB3 TYR 22 -5.484 -15.070 1.896
177 HD1 TYR 22 HD1 TYR 22 -7.233 -14.999 -0.094
178 HD2 TYR 22 HD2 TYR 22 -3.254 -13.391 -0.273
179 HE1 TYR 22 HE1 TYR 22 -7.291 -15.140 -2.569
180 HE2 TYR 22 HE2 TYR 22 -3.312 -13.533 -2.749
181 HH TYR 22 HH TYR 22 -6.134 -13.986 -4.500
182 H TYR 23 H TYR 23 -4.003 -12.117 1.038
183 HA TYR 23 HA TYR 23 -5.311 -9.727 -0.178
184 HB2 TYR 23 HB2 TYR 23 -2.969 -9.774 1.753
185 HB3 TYR 23 HB3 TYR 23 -3.481 -8.346 0.855
186 HD1 TYR 23 HD1 TYR 23 -4.482 -10.797 3.448
187 HD2 TYR 23 HD2 TYR 23 -5.469 -7.123 1.453
188 HE1 TYR 23 HE1 TYR 23 -6.214 -10.332 5.160
189 HE2 TYR 23 HE2 TYR 23 -7.200 -6.659 3.166
190 HH TYR 23 HH TYR 23 -8.593 -8.645 4.954
191 H PHE 24 H PHE 24 -4.367 -9.163 -2.132
192 HA PHE 24 HA PHE 24 -1.757 -10.444 -2.846
193 HB2 PHE 24 HB2 PHE 24 -3.391 -11.867 -3.815
194 HB3 PHE 24 HB3 PHE 24 -4.430 -10.512 -4.252
195 HD1 PHE 24 HD1 PHE 24 -1.045 -11.959 -4.934
196 HD2 PHE 24 HD2 PHE 24 -4.298 -9.566 -6.395
197 HE1 PHE 24 HE1 PHE 24 0.048 -11.832 -7.156
198 HE2 PHE 24 HE2 PHE 24 -3.206 -9.437 -8.618
199 HZ PHE 24 HZ PHE 24 -1.033 -10.572 -8.999
200 H ASN 25 H ASN 25 -0.447 -8.681 -3.180
201 HA ASN 25 HA ASN 25 -1.496 -6.107 -4.076
202 HB2 ASN 25 HB2 ASN 25 0.649 -6.978 -2.635
203 HB3 ASN 25 HB3 ASN 25 1.406 -6.684 -4.199
204 HD21 ASN 25 HD21 ASN 25 2.164 -4.578 -4.396
205 HD22 ASN 25 HD22 ASN 25 1.466 -3.215 -3.664
206 H ARG 26 H ARG 26 -2.260 -6.169 -6.202
207 HA ARG 26 HA ARG 26 -1.169 -7.706 -8.343
208 HB2 ARG 26 HB2 ARG 26 -2.579 -6.262 -9.705
209 HB3 ARG 26 HB3 ARG 26 -3.416 -6.577 -8.184
210 HG2 ARG 26 HG2 ARG 26 -2.383 -4.411 -7.318
211 HG3 ARG 26 HG3 ARG 26 -1.909 -4.079 -8.984
212 HD2 ARG 26 HD2 ARG 26 -4.412 -4.523 -9.559
213 HD3 ARG 26 HD3 ARG 26 -4.688 -4.265 -7.825
214 HE ARG 26 HE ARG 26 -2.961 -2.212 -8.870
215 HH11 ARG 26 HH11 ARG 26 -6.229 -3.310 -8.677
216 HH12 ARG 26 HH12 ARG 26 -6.908 -1.740 -8.946
217 HH21 ARG 26 HH21 ARG 26 -3.838 -0.168 -9.273
218 HH22 ARG 26 HH22 ARG 26 -5.557 0.036 -9.283
219 H PHE 27 H PHE 27 0.068 -4.936 -6.751
220 HA PHE 27 HA PHE 27 1.512 -3.789 -9.015
221 HB2 PHE 27 HB2 PHE 27 0.679 -2.910 -6.604
222 HB3 PHE 27 HB3 PHE 27 2.333 -3.348 -6.185
223 HD1 PHE 27 HD1 PHE 27 0.306 -1.384 -8.630
224 HD2 PHE 27 HD2 PHE 27 4.148 -1.958 -6.794
225 HE1 PHE 27 HE1 PHE 27 1.127 0.700 -9.696
226 HE2 PHE 27 HE2 PHE 27 4.968 0.126 -7.861
227 HZ PHE 27 HZ PHE 27 3.458 1.454 -9.312
228 H THR 28 H THR 28 2.665 -5.377 -6.008
229 HA THR 28 HA THR 28 5.144 -6.180 -7.463
230 HB THR 28 HB THR 28 5.234 -4.873 -5.328
231 HG1 THR 28 HG1 THR 28 6.700 -6.771 -6.039
232 HG21 THR 28 HG21 THR 28 3.230 -6.685 -4.563
233 HG22 THR 28 HG22 THR 28 3.990 -5.459 -3.549
234 HG23 THR 28 HG23 THR 28 4.633 -7.101 -3.579
235 H ASN 29 H ASN 29 2.289 -7.500 -7.354
236 HA ASN 29 HA ASN 29 1.473 -9.715 -7.425
237 HB2 ASN 29 HB2 ASN 29 3.446 -9.881 -8.921
238 HB3 ASN 29 HB3 ASN 29 4.457 -10.263 -7.528
239 HD21 ASN 29 HD21 ASN 29 4.709 -12.464 -7.138
240 HD22 ASN 29 HD22 ASN 29 3.632 -13.674 -7.646
241 H GLN 30 H GLN 30 2.481 -8.391 -4.787
242 HA GLN 30 HA GLN 30 3.490 -10.416 -3.048
243 HB2 GLN 30 HB2 GLN 30 2.603 -7.722 -2.982
244 HB3 GLN 30 HB3 GLN 30 1.695 -8.578 -1.735
245 HG2 GLN 30 HG2 GLN 30 3.676 -9.313 -0.645
246 HG3 GLN 30 HG3 GLN 30 4.682 -8.876 -2.026
247 HE21 GLN 30 HE21 GLN 30 5.140 -7.850 0.652
248 HE22 GLN 30 HE22 GLN 30 4.877 -6.174 0.611
249 H SER 31 H SER 31 2.291 -11.620 -1.405
250 HA SER 31 HA SER 31 -0.633 -11.939 -1.817
251 HB2 SER 31 HB2 SER 31 -0.123 -14.488 -1.898
252 HB3 SER 31 HB3 SER 31 0.181 -13.548 -3.356
253 HG SER 31 HG SER 31 2.003 -14.739 -2.973
254 H LEU 32 H LEU 32 -0.723 -11.060 0.364
255 HA LEU 32 HA LEU 32 0.636 -12.541 2.534
256 HB2 LEU 32 HB2 LEU 32 -1.259 -10.168 2.536
257 HB3 LEU 32 HB3 LEU 32 -0.259 -10.695 3.889
258 HG LEU 32 HG LEU 32 0.761 -9.727 1.203
259 HD11 LEU 32 HD11 LEU 32 0.710 -8.496 3.971
260 HD12 LEU 32 HD12 LEU 32 -0.046 -7.867 2.507
261 HD13 LEU 32 HD13 LEU 32 1.711 -7.883 2.655
262 HD21 LEU 32 HD21 LEU 32 2.211 -10.610 3.718
263 HD22 LEU 32 HD22 LEU 32 2.983 -9.880 2.310
264 HD23 LEU 32 HD23 LEU 32 2.205 -11.457 2.172
265 H TRP 33 H TRP 33 -1.263 -12.273 4.535
266 HA TRP 33 HA TRP 33 -3.635 -13.849 3.619
267 HB2 TRP 33 HB2 TRP 33 -1.709 -14.442 5.888
268 HB3 TRP 33 HB3 TRP 33 -3.199 -15.332 5.595
269 HD1 TRP 33 HD1 TRP 33 0.328 -15.414 4.807
270 HE1 TRP 33 HE1 TRP 33 0.820 -16.971 2.807
271 HE3 TRP 33 HE3 TRP 33 -4.403 -16.047 3.024
272 HZ2 TRP 33 HZ2 TRP 33 -0.620 -18.308 0.723
273 HZ3 TRP 33 HZ3 TRP 33 -4.822 -17.464 1.033
274 HH2 TRP 33 HH2 TRP 33 -2.938 -18.594 -0.118
275 H GLU 34 H GLU 34 -2.562 -11.118 5.086
276 HA GLU 34 HA GLU 34 -5.089 -10.764 6.589
277 HB2 GLU 34 HB2 GLU 34 -2.504 -11.398 7.750
278 HB3 GLU 34 HB3 GLU 34 -3.063 -9.821 8.308
279 HG2 GLU 34 HG2 GLU 34 -5.235 -11.753 8.277
280 HG3 GLU 34 HG3 GLU 34 -3.893 -12.316 9.274
281 H MET 35 H MET 35 -5.655 -8.545 6.693
282 HA MET 35 HA MET 35 -4.903 -6.716 4.799
283 HB2 MET 35 HB2 MET 35 -6.208 -6.743 7.359
284 HB3 MET 35 HB3 MET 35 -5.262 -5.261 7.214
285 HG2 MET 35 HG2 MET 35 -6.535 -5.747 4.706
286 HG3 MET 35 HG3 MET 35 -7.754 -5.884 5.970
287 HE1 MET 35 HE1 MET 35 -8.604 -4.229 7.388
288 HE2 MET 35 HE2 MET 35 -8.003 -2.587 7.660
289 HE3 MET 35 HE3 MET 35 -7.089 -3.972 8.249
290 HA PRO 36 HA PRO 36 -0.671 -5.892 5.891
291 HB2 PRO 36 HB2 PRO 36 -0.137 -4.251 3.774
292 HB3 PRO 36 HB3 PRO 36 -0.232 -6.016 3.626
293 HG2 PRO 36 HG2 PRO 36 -2.173 -3.949 2.806
294 HG3 PRO 36 HG3 PRO 36 -1.861 -5.547 2.116
295 HD2 PRO 36 HD2 PRO 36 -3.989 -4.859 3.798
296 HD3 PRO 36 HD3 PRO 36 -3.470 -6.506 3.388
297 H VAL 37 H VAL 37 0.656 -3.637 5.853
298 HA VAL 37 HA VAL 37 -1.140 -1.535 7.025
299 HB VAL 37 HB VAL 37 1.728 -2.149 7.786
300 HG11 VAL 37 HG11 VAL 37 -0.332 -0.230 8.604
301 HG12 VAL 37 HG12 VAL 37 1.407 -0.202 8.898
302 HG13 VAL 37 HG13 VAL 37 0.346 -1.126 9.962
303 HG21 VAL 37 HG21 VAL 37 1.001 -4.015 8.820
304 HG22 VAL 37 HG22 VAL 37 -0.652 -3.698 8.290
305 HG23 VAL 37 HG23 VAL 37 -0.065 -3.014 9.806
306 H LEU 38 H LEU 38 0.071 0.677 7.007
307 HA LEU 38 HA LEU 38 2.082 1.056 4.907
308 HB2 LEU 38 HB2 LEU 38 -0.496 0.774 4.072
309 HB3 LEU 38 HB3 LEU 38 -0.435 2.517 4.338
310 HG LEU 38 HG LEU 38 1.884 1.322 2.914
311 HD11 LEU 38 HD11 LEU 38 -0.219 0.205 1.984
312 HD12 LEU 38 HD12 LEU 38 0.760 1.096 0.819
313 HD13 LEU 38 HD13 LEU 38 -0.722 1.811 1.457
314 HD21 LEU 38 HD21 LEU 38 1.077 3.848 3.492
315 HD22 LEU 38 HD22 LEU 38 0.350 3.654 1.897
316 HD23 LEU 38 HD23 LEU 38 2.091 3.455 2.103
317 H GLY 39 H GLY 39 2.732 3.355 4.776
318 HA2 GLY 39 HA2 GLY 39 1.688 5.550 6.082
319 HA3 GLY 39 HA3 GLY 39 2.531 4.681 7.365
320 H GLN 40 H GLN 40 4.848 4.377 7.150
321 HA GLN 40 HA GLN 40 6.224 6.661 6.055
322 HB2 GLN 40 HB2 GLN 40 7.391 3.988 6.872
323 HB3 GLN 40 HB3 GLN 40 8.148 5.577 6.989
324 HG2 GLN 40 HG2 GLN 40 7.317 5.794 9.066
325 HG3 GLN 40 HG3 GLN 40 5.686 5.733 8.396
326 HE21 GLN 40 HE21 GLN 40 5.813 4.595 10.841
327 HE22 GLN 40 HE22 GLN 40 5.850 2.900 10.756
328 H HIS 41 H HIS 41 5.409 3.509 4.776
329 HA HIS 41 HA HIS 41 7.425 3.485 2.672
330 HB2 HIS 41 HB2 HIS 41 6.246 1.512 3.732
331 HB3 HIS 41 HB3 HIS 41 4.787 2.003 2.871
332 HD1 HIS 41 HD1 HIS 41 4.595 1.333 0.445
333 HD2 HIS 41 HD2 HIS 41 8.452 0.784 1.928
334 HE1 HIS 41 HE1 HIS 41 5.889 0.116 -1.360
335 H ASP 42 H ASP 42 6.984 5.719 1.828
336 HA ASP 42 HA ASP 42 4.413 6.161 0.454
337 HB2 ASP 42 HB2 ASP 42 5.566 8.337 -0.092
338 HB3 ASP 42 HB3 ASP 42 5.502 7.985 1.635
339 H VAL 43 H VAL 43 5.281 7.514 -1.830
340 HA VAL 43 HA VAL 43 6.628 5.339 -3.403
341 HB VAL 43 HB VAL 43 4.540 7.319 -4.353
342 HG11 VAL 43 HG11 VAL 43 6.220 5.739 -5.799
343 HG12 VAL 43 HG12 VAL 43 4.606 6.196 -6.340
344 HG13 VAL 43 HG13 VAL 43 4.865 4.635 -5.563
345 HG21 VAL 43 HG21 VAL 43 4.290 4.754 -2.856
346 HG22 VAL 43 HG22 VAL 43 3.186 4.995 -4.209
347 HG23 VAL 43 HG23 VAL 43 3.214 6.151 -2.877
348 H ILE 44 H ILE 44 8.652 6.079 -3.951
349 HA ILE 44 HA ILE 44 9.324 8.905 -4.081
350 HB ILE 44 HB ILE 44 11.501 7.925 -4.892
351 HG12 ILE 44 HG12 ILE 44 10.924 5.182 -4.345
352 HG13 ILE 44 HG13 ILE 44 9.755 5.751 -5.537
353 HG21 ILE 44 HG21 ILE 44 10.847 8.121 -2.454
354 HG22 ILE 44 HG22 ILE 44 12.034 6.862 -2.798
355 HG23 ILE 44 HG23 ILE 44 10.345 6.431 -2.526
356 HD11 ILE 44 HD11 ILE 44 11.991 6.870 -6.550
357 HD12 ILE 44 HD12 ILE 44 11.454 5.249 -6.993
358 HD13 ILE 44 HD13 ILE 44 12.705 5.460 -5.767
359 H SER 45 H SER 45 8.734 10.175 -5.797
360 HA SER 45 HA SER 45 7.773 9.176 -8.310
361 HB2 SER 45 HB2 SER 45 8.981 11.903 -7.925
362 HB3 SER 45 HB3 SER 45 7.520 11.455 -8.798
363 HG SER 45 HG SER 45 6.454 11.730 -7.017
364 H ASP 46 H ASP 46 9.123 8.036 -9.668
365 HA ASP 46 HA ASP 46 11.360 9.301 -10.955
366 HB2 ASP 46 HB2 ASP 46 11.865 8.332 -8.383
367 HB3 ASP 46 HB3 ASP 46 12.502 7.076 -9.446
368 HA PRO 47 HA PRO 47 9.538 5.474 -12.851
369 HB2 PRO 47 HB2 PRO 47 8.789 6.663 -15.199
370 HB3 PRO 47 HB3 PRO 47 7.747 6.622 -13.763
371 HG2 PRO 47 HG2 PRO 47 9.440 8.832 -14.810
372 HG3 PRO 47 HG3 PRO 47 7.839 8.895 -14.056
373 HD2 PRO 47 HD2 PRO 47 10.159 9.517 -12.750
374 HD3 PRO 47 HD3 PRO 47 8.695 8.919 -11.938
Start of MODEL 17
1 H LEU 1 H LEU 1 -8.960 -3.165 3.973
2 HA LEU 1 HA LEU 1 -7.435 -1.962 2.812
3 HB2 LEU 1 HB2 LEU 1 -9.819 -2.501 1.026
4 HB3 LEU 1 HB3 LEU 1 -8.267 -1.965 0.381
5 HG LEU 1 HG LEU 1 -8.742 -4.456 2.045
6 HD11 LEU 1 HD11 LEU 1 -9.316 -4.169 -0.572
7 HD12 LEU 1 HD12 LEU 1 -8.668 -5.669 0.096
8 HD13 LEU 1 HD13 LEU 1 -7.592 -4.519 -0.700
9 HD21 LEU 1 HD21 LEU 1 -6.344 -2.899 1.407
10 HD22 LEU 1 HD22 LEU 1 -6.215 -4.581 0.894
11 HD23 LEU 1 HD23 LEU 1 -6.555 -4.196 2.581
12 HA PRO 2 HA PRO 2 -9.279 2.235 3.198
13 HB2 PRO 2 HB2 PRO 2 -7.115 3.326 4.469
14 HB3 PRO 2 HB3 PRO 2 -8.413 2.474 5.329
15 HG2 PRO 2 HG2 PRO 2 -5.707 1.512 4.551
16 HG3 PRO 2 HG3 PRO 2 -6.638 1.196 6.023
17 HD2 PRO 2 HD2 PRO 2 -6.413 -0.584 3.963
18 HD3 PRO 2 HD3 PRO 2 -7.797 -0.531 5.075
19 H GLU 3 H GLU 3 -8.270 4.348 2.364
20 HA GLU 3 HA GLU 3 -7.306 4.140 -0.254
21 HB2 GLU 3 HB2 GLU 3 -8.081 6.118 1.428
22 HB3 GLU 3 HB3 GLU 3 -6.343 6.418 1.395
23 HG2 GLU 3 HG2 GLU 3 -6.325 6.869 -0.891
24 HG3 GLU 3 HG3 GLU 3 -7.798 5.944 -1.187
25 H GLU 4 H GLU 4 -5.506 3.989 2.767
26 HA GLU 4 HA GLU 4 -2.877 4.497 1.838
27 HB2 GLU 4 HB2 GLU 4 -4.220 3.064 4.062
28 HB3 GLU 4 HB3 GLU 4 -2.537 2.618 3.772
29 HG2 GLU 4 HG2 GLU 4 -2.702 4.487 5.384
30 HG3 GLU 4 HG3 GLU 4 -1.877 4.986 3.907
31 H LEU 5 H LEU 5 -4.706 1.443 1.936
32 HA LEU 5 HA LEU 5 -2.558 -0.107 0.718
33 HB2 LEU 5 HB2 LEU 5 -5.502 -0.582 1.266
34 HB3 LEU 5 HB3 LEU 5 -4.413 -1.827 0.656
35 HG LEU 5 HG LEU 5 -4.281 -0.388 3.313
36 HD11 LEU 5 HD11 LEU 5 -5.692 -2.303 3.418
37 HD12 LEU 5 HD12 LEU 5 -4.140 -2.840 4.059
38 HD13 LEU 5 HD13 LEU 5 -4.603 -3.254 2.408
39 HD21 LEU 5 HD21 LEU 5 -2.202 -2.079 3.453
40 HD22 LEU 5 HD22 LEU 5 -2.015 -0.423 2.875
41 HD23 LEU 5 HD23 LEU 5 -2.153 -1.751 1.721
42 H VAL 6 H VAL 6 -5.639 1.279 -0.403
43 HA VAL 6 HA VAL 6 -5.713 0.242 -3.021
44 HB VAL 6 HB VAL 6 -6.542 2.882 -1.795
45 HG11 VAL 6 HG11 VAL 6 -6.167 3.086 -4.277
46 HG12 VAL 6 HG12 VAL 6 -7.842 3.338 -3.787
47 HG13 VAL 6 HG13 VAL 6 -7.355 1.804 -4.510
48 HG21 VAL 6 HG21 VAL 6 -7.715 0.182 -2.164
49 HG22 VAL 6 HG22 VAL 6 -8.803 1.531 -2.487
50 HG23 VAL 6 HG23 VAL 6 -8.027 1.383 -0.911
51 H HIS 7 H HIS 7 -3.839 2.944 -1.714
52 HA HIS 7 HA HIS 7 -2.910 4.033 -4.199
53 HB2 HIS 7 HB2 HIS 7 -2.658 4.484 -1.441
54 HB3 HIS 7 HB3 HIS 7 -1.012 4.169 -1.991
55 HD1 HIS 7 HD1 HIS 7 0.018 6.430 -2.302
56 HD2 HIS 7 HD2 HIS 7 -3.830 6.253 -3.897
57 HE1 HIS 7 HE1 HIS 7 -0.376 8.643 -3.467
58 H ALA 8 H ALA 8 -1.499 1.592 -1.999
59 HA ALA 8 HA ALA 8 0.880 1.116 -3.530
60 HB1 ALA 8 HB1 ALA 8 1.233 -0.527 -1.922
61 HB2 ALA 8 HB2 ALA 8 -0.461 -1.015 -1.909
62 HB3 ALA 8 HB3 ALA 8 0.035 0.467 -1.092
63 H GLY 9 H GLY 9 -1.978 -1.006 -3.209
64 HA2 GLY 9 HA2 GLY 9 -2.900 -1.491 -5.655
65 HA3 GLY 9 HA3 GLY 9 -1.302 -2.216 -5.832
66 H TRP 10 H TRP 10 -3.283 -2.294 -2.888
67 HA TRP 10 HA TRP 10 -3.078 -5.248 -2.902
68 HB2 TRP 10 HB2 TRP 10 -3.893 -3.103 -0.938
69 HB3 TRP 10 HB3 TRP 10 -4.141 -4.812 -0.584
70 HD1 TRP 10 HD1 TRP 10 -1.475 -2.162 -0.837
71 HE1 TRP 10 HE1 TRP 10 0.793 -3.148 -0.112
72 HE3 TRP 10 HE3 TRP 10 -2.719 -7.107 -0.534
73 HZ2 TRP 10 HZ2 TRP 10 1.929 -5.694 0.513
74 HZ3 TRP 10 HZ3 TRP 10 -1.024 -8.789 0.128
75 HH2 TRP 10 HH2 TRP 10 1.296 -8.090 0.653
76 H GLU 11 H GLU 11 -5.008 -6.561 -2.471
77 HA GLU 11 HA GLU 11 -7.676 -5.406 -2.804
78 HB2 GLU 11 HB2 GLU 11 -8.116 -6.269 -4.983
79 HB3 GLU 11 HB3 GLU 11 -6.528 -5.514 -5.111
80 HG2 GLU 11 HG2 GLU 11 -5.441 -7.688 -4.829
81 HG3 GLU 11 HG3 GLU 11 -7.007 -8.467 -4.610
82 H LYS 12 H LYS 12 -9.126 -6.783 -1.805
83 HA LYS 12 HA LYS 12 -8.136 -9.257 -0.610
84 HB2 LYS 12 HB2 LYS 12 -9.962 -7.364 0.048
85 HB3 LYS 12 HB3 LYS 12 -11.031 -8.594 -0.630
86 HG2 LYS 12 HG2 LYS 12 -9.880 -10.286 0.854
87 HG3 LYS 12 HG3 LYS 12 -9.055 -8.939 1.638
88 HD2 LYS 12 HD2 LYS 12 -11.025 -8.094 2.564
89 HD3 LYS 12 HD3 LYS 12 -12.046 -8.887 1.363
90 HE2 LYS 12 HE2 LYS 12 -10.735 -11.012 2.618
91 HE3 LYS 12 HE3 LYS 12 -11.134 -9.900 3.943
92 HZ1 LYS 12 HZ1 LYS 12 -13.363 -9.951 3.446
93 HZ2 LYS 12 HZ2 LYS 12 -12.931 -11.545 3.063
94 HZ3 LYS 12 HZ3 LYS 12 -13.114 -10.395 1.825
95 H CYS 13 H CYS 13 -8.553 -11.346 -1.291
96 HA CYS 13 HA CYS 13 -10.596 -11.842 -3.389
97 HB2 CYS 13 HB2 CYS 13 -7.636 -12.462 -3.682
98 HB3 CYS 13 HB3 CYS 13 -8.890 -12.898 -4.841
99 HG CYS 13 HG CYS 13 -8.591 -10.645 -5.810
100 H TRP 14 H TRP 14 -10.558 -14.336 -3.879
101 HA TRP 14 HA TRP 14 -10.219 -15.768 -1.266
102 HB2 TRP 14 HB2 TRP 14 -12.497 -15.647 -2.093
103 HB3 TRP 14 HB3 TRP 14 -11.992 -16.195 -3.692
104 HD1 TRP 14 HD1 TRP 14 -11.360 -18.761 -3.986
105 HE1 TRP 14 HE1 TRP 14 -11.905 -20.841 -2.566
106 HE3 TRP 14 HE3 TRP 14 -12.863 -16.504 0.340
107 HZ2 TRP 14 HZ2 TRP 14 -12.853 -21.466 0.061
108 HZ3 TRP 14 HZ3 TRP 14 -13.581 -17.862 2.284
109 HH2 TRP 14 HH2 TRP 14 -13.578 -20.339 2.150
110 H SER 15 H SER 15 -8.166 -16.726 -1.397
111 HA SER 15 HA SER 15 -7.051 -17.763 -3.870
112 HB2 SER 15 HB2 SER 15 -6.080 -16.957 -1.474
113 HB3 SER 15 HB3 SER 15 -6.091 -18.698 -1.212
114 HG SER 15 HG SER 15 -4.338 -17.276 -2.565
115 H ARG 16 H ARG 16 -7.487 -19.741 -4.760
116 HA ARG 16 HA ARG 16 -9.334 -21.595 -3.515
117 HB2 ARG 16 HB2 ARG 16 -8.003 -21.114 -6.044
118 HB3 ARG 16 HB3 ARG 16 -7.957 -22.833 -5.645
119 HG2 ARG 16 HG2 ARG 16 -10.119 -23.024 -6.230
120 HG3 ARG 16 HG3 ARG 16 -10.556 -21.857 -4.981
121 HD2 ARG 16 HD2 ARG 16 -9.406 -20.391 -7.150
122 HD3 ARG 16 HD3 ARG 16 -10.630 -21.489 -7.820
123 HE ARG 16 HE ARG 16 -11.635 -20.308 -5.408
124 HH11 ARG 16 HH11 ARG 16 -10.460 -17.909 -6.808
125 HH12 ARG 16 HH12 ARG 16 -11.795 -17.377 -7.776
126 HH21 ARG 16 HH21 ARG 16 -13.546 -20.355 -7.470
127 HH22 ARG 16 HH22 ARG 16 -13.541 -18.762 -8.150
128 H ARG 17 H ARG 17 -5.822 -21.744 -4.222
129 HA ARG 17 HA ARG 17 -5.263 -24.320 -3.254
130 HB2 ARG 17 HB2 ARG 17 -3.703 -21.725 -3.146
131 HB3 ARG 17 HB3 ARG 17 -2.989 -23.305 -2.827
132 HG2 ARG 17 HG2 ARG 17 -2.993 -23.892 -5.025
133 HG3 ARG 17 HG3 ARG 17 -4.569 -23.154 -5.315
134 HD2 ARG 17 HD2 ARG 17 -3.186 -20.897 -4.959
135 HD3 ARG 17 HD3 ARG 17 -1.845 -21.927 -5.498
136 HE ARG 17 HE ARG 17 -4.335 -21.415 -7.068
137 HH11 ARG 17 HH11 ARG 17 -1.848 -23.648 -6.833
138 HH12 ARG 17 HH12 ARG 17 -1.306 -23.486 -8.470
139 HH21 ARG 17 HH21 ARG 17 -3.337 -20.760 -9.152
140 HH22 ARG 17 HH22 ARG 17 -2.149 -21.851 -9.782
141 H GLU 18 H GLU 18 -5.373 -21.263 -1.425
142 HA GLU 18 HA GLU 18 -4.875 -22.619 1.131
143 HB2 GLU 18 HB2 GLU 18 -4.889 -19.965 -0.007
144 HB3 GLU 18 HB3 GLU 18 -5.835 -19.979 1.480
145 HG2 GLU 18 HG2 GLU 18 -2.971 -20.893 1.129
146 HG3 GLU 18 HG3 GLU 18 -3.542 -19.526 2.088
147 H ASN 19 H ASN 19 -7.609 -21.978 -0.829
148 HA ASN 19 HA ASN 19 -9.919 -22.285 -0.454
149 HB2 ASN 19 HB2 ASN 19 -9.015 -24.422 0.422
150 HB3 ASN 19 HB3 ASN 19 -8.809 -23.676 2.005
151 HD21 ASN 19 HD21 ASN 19 -11.172 -25.004 -0.233
152 HD22 ASN 19 HD22 ASN 19 -12.503 -24.903 0.815
153 H ARG 20 H ARG 20 -9.026 -19.767 0.270
154 HA ARG 20 HA ARG 20 -10.999 -18.904 2.175
155 HB2 ARG 20 HB2 ARG 20 -9.326 -18.243 3.955
156 HB3 ARG 20 HB3 ARG 20 -9.531 -19.982 3.768
157 HG2 ARG 20 HG2 ARG 20 -7.289 -20.091 3.513
158 HG3 ARG 20 HG3 ARG 20 -7.539 -19.355 1.930
159 HD2 ARG 20 HD2 ARG 20 -6.188 -17.693 2.732
160 HD3 ARG 20 HD3 ARG 20 -7.634 -17.164 3.615
161 HE ARG 20 HE ARG 20 -5.651 -19.092 4.770
162 HH11 ARG 20 HH11 ARG 20 -8.570 -18.125 5.702
163 HH12 ARG 20 HH12 ARG 20 -8.093 -17.189 7.080
164 HH21 ARG 20 HH21 ARG 20 -4.728 -17.177 6.238
165 HH22 ARG 20 HH22 ARG 20 -5.917 -16.653 7.383
166 HA PRO 21 HA PRO 21 -9.721 -15.098 0.401
167 HB2 PRO 21 HB2 PRO 21 -10.488 -13.292 2.308
168 HB3 PRO 21 HB3 PRO 21 -11.634 -14.197 1.301
169 HG2 PRO 21 HG2 PRO 21 -11.002 -14.507 4.140
170 HG3 PRO 21 HG3 PRO 21 -12.417 -15.046 3.230
171 HD2 PRO 21 HD2 PRO 21 -10.168 -16.600 4.075
172 HD3 PRO 21 HD3 PRO 21 -11.588 -17.144 3.158
173 H TYR 22 H TYR 22 -8.326 -13.130 0.687
174 HA TYR 22 HA TYR 22 -6.499 -12.917 2.934
175 HB2 TYR 22 HB2 TYR 22 -4.525 -13.806 1.788
176 HB3 TYR 22 HB3 TYR 22 -5.786 -15.040 1.823
177 HD1 TYR 22 HD1 TYR 22 -7.459 -14.976 -0.243
178 HD2 TYR 22 HD2 TYR 22 -3.484 -13.348 -0.248
179 HE1 TYR 22 HE1 TYR 22 -7.410 -15.104 -2.719
180 HE2 TYR 22 HE2 TYR 22 -3.435 -13.477 -2.725
181 HH TYR 22 HH TYR 22 -6.245 -14.697 -4.556
182 H TYR 23 H TYR 23 -4.298 -12.050 1.058
183 HA TYR 23 HA TYR 23 -5.590 -9.677 -0.222
184 HB2 TYR 23 HB2 TYR 23 -3.268 -9.741 1.734
185 HB3 TYR 23 HB3 TYR 23 -3.765 -8.307 0.837
186 HD1 TYR 23 HD1 TYR 23 -4.762 -10.736 3.447
187 HD2 TYR 23 HD2 TYR 23 -5.789 -7.101 1.397
188 HE1 TYR 23 HE1 TYR 23 -6.500 -10.265 5.149
189 HE2 TYR 23 HE2 TYR 23 -7.527 -6.633 3.100
190 HH TYR 23 HH TYR 23 -8.032 -8.832 5.864
191 H PHE 24 H PHE 24 -4.725 -9.298 -2.241
192 HA PHE 24 HA PHE 24 -2.070 -10.543 -2.881
193 HB2 PHE 24 HB2 PHE 24 -3.727 -11.941 -3.860
194 HB3 PHE 24 HB3 PHE 24 -4.717 -10.564 -4.341
195 HD1 PHE 24 HD1 PHE 24 -1.359 -12.118 -4.917
196 HD2 PHE 24 HD2 PHE 24 -4.501 -9.650 -6.494
197 HE1 PHE 24 HE1 PHE 24 -0.208 -12.055 -7.113
198 HE2 PHE 24 HE2 PHE 24 -3.350 -9.586 -8.689
199 HZ PHE 24 HZ PHE 24 -1.203 -10.790 -8.999
200 H ASN 25 H ASN 25 -0.720 -8.801 -3.225
201 HA ASN 25 HA ASN 25 -1.733 -6.217 -4.140
202 HB2 ASN 25 HB2 ASN 25 0.393 -7.084 -2.680
203 HB3 ASN 25 HB3 ASN 25 1.163 -6.844 -4.248
204 HD21 ASN 25 HD21 ASN 25 2.014 -4.768 -4.413
205 HD22 ASN 25 HD22 ASN 25 1.310 -3.368 -3.761
206 H ARG 26 H ARG 26 -2.367 -6.056 -6.261
207 HA ARG 26 HA ARG 26 -1.340 -7.705 -8.397
208 HB2 ARG 26 HB2 ARG 26 -2.757 -6.276 -9.757
209 HB3 ARG 26 HB3 ARG 26 -3.586 -6.567 -8.229
210 HG2 ARG 26 HG2 ARG 26 -2.515 -4.392 -7.404
211 HG3 ARG 26 HG3 ARG 26 -2.094 -4.082 -9.089
212 HD2 ARG 26 HD2 ARG 26 -4.527 -4.358 -9.686
213 HD3 ARG 26 HD3 ARG 26 -4.885 -4.450 -7.949
214 HE ARG 26 HE ARG 26 -4.274 -2.148 -7.731
215 HH11 ARG 26 HH11 ARG 26 -5.661 -1.714 -10.292
216 HH12 ARG 26 HH12 ARG 26 -4.456 -0.934 -11.262
217 HH21 ARG 26 HH21 ARG 26 -1.819 -1.883 -9.221
218 HH22 ARG 26 HH22 ARG 26 -2.280 -1.031 -10.657
219 H PHE 27 H PHE 27 0.061 -5.123 -6.746
220 HA PHE 27 HA PHE 27 1.461 -3.949 -9.065
221 HB2 PHE 27 HB2 PHE 27 0.580 -2.980 -6.705
222 HB3 PHE 27 HB3 PHE 27 2.230 -3.393 -6.242
223 HD1 PHE 27 HD1 PHE 27 0.137 -1.304 -8.446
224 HD2 PHE 27 HD2 PHE 27 4.145 -2.256 -7.227
225 HE1 PHE 27 HE1 PHE 27 0.967 0.739 -9.581
226 HE2 PHE 27 HE2 PHE 27 4.974 -0.213 -8.363
227 HZ PHE 27 HZ PHE 27 3.385 1.284 -9.540
228 H THR 28 H THR 28 2.442 -5.609 -6.035
229 HA THR 28 HA THR 28 5.009 -6.360 -7.377
230 HB THR 28 HB THR 28 5.051 -5.016 -5.274
231 HG1 THR 28 HG1 THR 28 6.464 -6.461 -4.167
232 HG21 THR 28 HG21 THR 28 3.015 -6.832 -4.529
233 HG22 THR 28 HG22 THR 28 3.686 -5.519 -3.563
234 HG23 THR 28 HG23 THR 28 4.376 -7.138 -3.451
235 H ASN 29 H ASN 29 2.161 -7.702 -7.338
236 HA ASN 29 HA ASN 29 1.363 -9.925 -7.377
237 HB2 ASN 29 HB2 ASN 29 3.335 -10.146 -8.836
238 HB3 ASN 29 HB3 ASN 29 4.362 -10.406 -7.424
239 HD21 ASN 29 HD21 ASN 29 1.334 -11.786 -8.842
240 HD22 ASN 29 HD22 ASN 29 1.722 -13.394 -8.461
241 H GLN 30 H GLN 30 2.299 -8.534 -4.748
242 HA GLN 30 HA GLN 30 3.275 -10.517 -2.942
243 HB2 GLN 30 HB2 GLN 30 2.388 -7.821 -2.953
244 HB3 GLN 30 HB3 GLN 30 1.458 -8.651 -1.704
245 HG2 GLN 30 HG2 GLN 30 3.443 -9.397 -0.592
246 HG3 GLN 30 HG3 GLN 30 4.458 -8.907 -1.948
247 HE21 GLN 30 HE21 GLN 30 4.056 -7.969 1.072
248 HE22 GLN 30 HE22 GLN 30 4.082 -6.279 0.922
249 H SER 31 H SER 31 2.055 -11.702 -1.316
250 HA SER 31 HA SER 31 -0.861 -12.032 -1.779
251 HB2 SER 31 HB2 SER 31 0.006 -14.639 -1.609
252 HB3 SER 31 HB3 SER 31 -0.347 -13.807 -3.121
253 HG SER 31 HG SER 31 1.744 -14.707 -3.134
254 H LEU 32 H LEU 32 -0.953 -11.084 0.392
255 HA LEU 32 HA LEU 32 0.345 -12.537 2.611
256 HB2 LEU 32 HB2 LEU 32 -1.536 -10.156 2.526
257 HB3 LEU 32 HB3 LEU 32 -0.577 -10.663 3.915
258 HG LEU 32 HG LEU 32 0.495 -9.714 1.243
259 HD11 LEU 32 HD11 LEU 32 -0.266 -7.853 2.567
260 HD12 LEU 32 HD12 LEU 32 1.489 -7.920 2.740
261 HD13 LEU 32 HD13 LEU 32 0.450 -8.528 4.030
262 HD21 LEU 32 HD21 LEU 32 2.572 -9.822 3.087
263 HD22 LEU 32 HD22 LEU 32 2.291 -10.979 1.788
264 HD23 LEU 32 HD23 LEU 32 1.667 -11.302 3.406
265 H TRP 33 H TRP 33 -1.550 -12.252 4.584
266 HA TRP 33 HA TRP 33 -3.940 -13.809 3.677
267 HB2 TRP 33 HB2 TRP 33 -2.058 -14.396 5.985
268 HB3 TRP 33 HB3 TRP 33 -3.521 -15.306 5.625
269 HD1 TRP 33 HD1 TRP 33 0.025 -15.397 5.019
270 HE1 TRP 33 HE1 TRP 33 0.618 -16.897 3.000
271 HE3 TRP 33 HE3 TRP 33 -4.596 -15.900 2.939
272 HZ2 TRP 33 HZ2 TRP 33 -0.715 -18.142 0.788
273 HZ3 TRP 33 HZ3 TRP 33 -4.915 -17.243 0.879
274 HH2 TRP 33 HH2 TRP 33 -2.983 -18.363 -0.198
275 H GLU 34 H GLU 34 -2.850 -11.073 5.096
276 HA GLU 34 HA GLU 34 -5.363 -10.676 6.610
277 HB2 GLU 34 HB2 GLU 34 -2.803 -11.339 7.776
278 HB3 GLU 34 HB3 GLU 34 -3.274 -9.713 8.272
279 HG2 GLU 34 HG2 GLU 34 -5.522 -10.626 8.917
280 HG3 GLU 34 HG3 GLU 34 -4.914 -12.245 8.567
281 H MET 35 H MET 35 -5.932 -8.465 6.627
282 HA MET 35 HA MET 35 -5.176 -6.673 4.710
283 HB2 MET 35 HB2 MET 35 -6.402 -6.627 7.338
284 HB3 MET 35 HB3 MET 35 -5.550 -5.116 7.017
285 HG2 MET 35 HG2 MET 35 -6.823 -5.681 4.611
286 HG3 MET 35 HG3 MET 35 -8.009 -6.145 5.827
287 HE1 MET 35 HE1 MET 35 -5.859 -2.199 5.278
288 HE2 MET 35 HE2 MET 35 -5.242 -3.853 5.181
289 HE3 MET 35 HE3 MET 35 -5.392 -3.055 6.744
290 HA PRO 36 HA PRO 36 -0.935 -5.861 5.810
291 HB2 PRO 36 HB2 PRO 36 -0.349 -4.365 3.599
292 HB3 PRO 36 HB3 PRO 36 -0.450 -6.136 3.569
293 HG2 PRO 36 HG2 PRO 36 -2.363 -4.122 2.571
294 HG3 PRO 36 HG3 PRO 36 -2.046 -5.765 2.000
295 HD2 PRO 36 HD2 PRO 36 -4.205 -4.956 3.585
296 HD3 PRO 36 HD3 PRO 36 -3.683 -6.630 3.301
297 H VAL 37 H VAL 37 0.414 -3.699 5.853
298 HA VAL 37 HA VAL 37 -1.400 -1.470 6.722
299 HB VAL 37 HB VAL 37 1.381 -2.096 7.742
300 HG11 VAL 37 HG11 VAL 37 -0.694 -0.107 8.287
301 HG12 VAL 37 HG12 VAL 37 1.007 -0.105 8.748
302 HG13 VAL 37 HG13 VAL 37 -0.175 -0.954 9.743
303 HG21 VAL 37 HG21 VAL 37 0.522 -3.935 8.730
304 HG22 VAL 37 HG22 VAL 37 -1.104 -3.545 8.169
305 HG23 VAL 37 HG23 VAL 37 -0.504 -2.859 9.680
306 H LEU 38 H LEU 38 -0.328 0.716 6.534
307 HA LEU 38 HA LEU 38 1.970 0.976 4.723
308 HB2 LEU 38 HB2 LEU 38 -0.618 0.633 3.680
309 HB3 LEU 38 HB3 LEU 38 -0.298 2.362 3.544
310 HG LEU 38 HG LEU 38 2.091 1.040 2.785
311 HD11 LEU 38 HD11 LEU 38 0.453 0.021 0.712
312 HD12 LEU 38 HD12 LEU 38 -0.248 -0.554 2.225
313 HD13 LEU 38 HD13 LEU 38 1.440 -0.901 1.846
314 HD21 LEU 38 HD21 LEU 38 0.481 1.944 0.549
315 HD22 LEU 38 HD22 LEU 38 1.939 2.666 1.228
316 HD23 LEU 38 HD23 LEU 38 0.358 3.078 1.895
317 H GLY 39 H GLY 39 2.629 3.242 4.525
318 HA2 GLY 39 HA2 GLY 39 1.538 5.593 5.203
319 HA3 GLY 39 HA3 GLY 39 1.684 4.873 6.807
320 H GLN 40 H GLN 40 4.081 3.639 6.808
321 HA GLN 40 HA GLN 40 5.968 5.801 7.010
322 HB2 GLN 40 HB2 GLN 40 6.175 2.777 6.997
323 HB3 GLN 40 HB3 GLN 40 7.545 3.829 7.350
324 HG2 GLN 40 HG2 GLN 40 6.259 4.863 9.201
325 HG3 GLN 40 HG3 GLN 40 4.920 3.764 8.867
326 HE21 GLN 40 HE21 GLN 40 5.864 3.484 11.384
327 HE22 GLN 40 HE22 GLN 40 6.861 2.119 11.542
328 H HIS 41 H HIS 41 8.273 5.265 5.860
329 HA HIS 41 HA HIS 41 7.686 5.080 2.923
330 HB2 HIS 41 HB2 HIS 41 8.589 7.207 4.254
331 HB3 HIS 41 HB3 HIS 41 10.134 6.378 4.060
332 HD1 HIS 41 HD1 HIS 41 7.849 8.579 2.302
333 HD2 HIS 41 HD2 HIS 41 10.628 5.682 1.176
334 HE1 HIS 41 HE1 HIS 41 8.338 8.971 -0.151
335 H ASP 42 H ASP 42 9.133 3.429 5.476
336 HA ASP 42 HA ASP 42 11.208 2.191 3.704
337 HB2 ASP 42 HB2 ASP 42 11.150 3.141 6.386
338 HB3 ASP 42 HB3 ASP 42 11.346 1.390 6.461
339 H VAL 43 H VAL 43 11.485 -0.176 5.221
340 HA VAL 43 HA VAL 43 8.877 -1.554 4.667
341 HB VAL 43 HB VAL 43 11.756 -2.479 4.401
342 HG11 VAL 43 HG11 VAL 43 10.038 -4.265 3.094
343 HG12 VAL 43 HG12 VAL 43 9.255 -3.947 4.642
344 HG13 VAL 43 HG13 VAL 43 10.908 -4.560 4.599
345 HG21 VAL 43 HG21 VAL 43 9.832 -1.203 2.606
346 HG22 VAL 43 HG22 VAL 43 10.419 -2.740 1.970
347 HG23 VAL 43 HG23 VAL 43 11.562 -1.464 2.387
348 H ILE 44 H ILE 44 8.173 -3.065 6.232
349 HA ILE 44 HA ILE 44 9.372 -2.787 8.913
350 HB ILE 44 HB ILE 44 6.993 -4.399 7.940
351 HG12 ILE 44 HG12 ILE 44 6.894 -1.630 9.140
352 HG13 ILE 44 HG13 ILE 44 7.053 -1.863 7.399
353 HG21 ILE 44 HG21 ILE 44 7.869 -3.357 10.646
354 HG22 ILE 44 HG22 ILE 44 7.630 -5.038 10.171
355 HG23 ILE 44 HG23 ILE 44 6.243 -3.959 10.325
356 HD11 ILE 44 HD11 ILE 44 4.660 -1.634 8.379
357 HD12 ILE 44 HD12 ILE 44 4.897 -3.284 8.955
358 HD13 ILE 44 HD13 ILE 44 4.960 -2.935 7.228
359 H SER 45 H SER 45 11.157 -4.118 7.212
360 HA SER 45 HA SER 45 12.459 -6.090 7.129
361 HB2 SER 45 HB2 SER 45 11.238 -5.823 9.727
362 HB3 SER 45 HB3 SER 45 11.345 -7.530 9.309
363 HG SER 45 HG SER 45 13.320 -5.704 9.868
364 H ASP 46 H ASP 46 11.765 -7.211 5.302
365 HA ASP 46 HA ASP 46 9.212 -8.350 4.845
366 HB2 ASP 46 HB2 ASP 46 12.016 -8.782 3.860
367 HB3 ASP 46 HB3 ASP 46 10.748 -9.889 3.333
368 HA PRO 47 HA PRO 47 9.156 -11.955 7.349
369 HB2 PRO 47 HB2 PRO 47 7.702 -13.657 5.775
370 HB3 PRO 47 HB3 PRO 47 6.981 -12.278 6.629
371 HG2 PRO 47 HG2 PRO 47 7.749 -12.542 3.768
372 HG3 PRO 47 HG3 PRO 47 6.359 -11.719 4.495
373 HD2 PRO 47 HD2 PRO 47 8.600 -10.429 3.594
374 HD3 PRO 47 HD3 PRO 47 7.533 -9.795 4.867
Start of MODEL 18
1 H LEU 1 H LEU 1 -9.907 -1.966 3.947
2 HA LEU 1 HA LEU 1 -7.469 -2.105 2.864
3 HB2 LEU 1 HB2 LEU 1 -9.583 -2.724 0.781
4 HB3 LEU 1 HB3 LEU 1 -7.969 -2.141 0.367
5 HG LEU 1 HG LEU 1 -8.317 -4.535 2.162
6 HD11 LEU 1 HD11 LEU 1 -9.585 -5.160 0.224
7 HD12 LEU 1 HD12 LEU 1 -7.993 -5.896 0.032
8 HD13 LEU 1 HD13 LEU 1 -8.402 -4.432 -0.863
9 HD21 LEU 1 HD21 LEU 1 -6.069 -4.903 1.719
10 HD22 LEU 1 HD22 LEU 1 -6.118 -3.144 1.592
11 HD23 LEU 1 HD23 LEU 1 -6.150 -4.135 0.132
12 HA PRO 2 HA PRO 2 -9.512 1.971 3.111
13 HB2 PRO 2 HB2 PRO 2 -7.386 3.217 4.301
14 HB3 PRO 2 HB3 PRO 2 -8.604 2.303 5.212
15 HG2 PRO 2 HG2 PRO 2 -5.866 1.497 4.377
16 HG3 PRO 2 HG3 PRO 2 -6.738 1.145 5.876
17 HD2 PRO 2 HD2 PRO 2 -6.452 -0.645 3.829
18 HD3 PRO 2 HD3 PRO 2 -7.804 -0.669 4.982
19 H GLU 3 H GLU 3 -8.704 4.110 2.182
20 HA GLU 3 HA GLU 3 -7.773 3.898 -0.448
21 HB2 GLU 3 HB2 GLU 3 -8.714 5.855 1.132
22 HB3 GLU 3 HB3 GLU 3 -7.007 6.294 1.160
23 HG2 GLU 3 HG2 GLU 3 -8.458 5.713 -1.425
24 HG3 GLU 3 HG3 GLU 3 -8.432 7.328 -0.715
25 H GLU 4 H GLU 4 -5.906 4.016 2.536
26 HA GLU 4 HA GLU 4 -3.350 4.706 1.524
27 HB2 GLU 4 HB2 GLU 4 -4.213 2.824 3.740
28 HB3 GLU 4 HB3 GLU 4 -2.578 3.458 3.556
29 HG2 GLU 4 HG2 GLU 4 -4.935 5.329 3.671
30 HG3 GLU 4 HG3 GLU 4 -4.211 4.705 5.155
31 H LEU 5 H LEU 5 -4.704 1.438 2.026
32 HA LEU 5 HA LEU 5 -2.494 0.108 0.708
33 HB2 LEU 5 HB2 LEU 5 -5.283 -0.651 1.595
34 HB3 LEU 5 HB3 LEU 5 -4.199 -1.816 0.835
35 HG LEU 5 HG LEU 5 -3.548 -0.205 3.321
36 HD11 LEU 5 HD11 LEU 5 -4.746 -2.898 2.865
37 HD12 LEU 5 HD12 LEU 5 -5.003 -1.763 4.190
38 HD13 LEU 5 HD13 LEU 5 -3.547 -2.756 4.151
39 HD21 LEU 5 HD21 LEU 5 -1.768 -2.214 3.293
40 HD22 LEU 5 HD22 LEU 5 -1.458 -0.683 2.475
41 HD23 LEU 5 HD23 LEU 5 -2.033 -2.073 1.554
42 H VAL 6 H VAL 6 -5.740 1.122 -0.299
43 HA VAL 6 HA VAL 6 -5.829 -0.139 -2.847
44 HB VAL 6 HB VAL 6 -6.954 2.481 -1.808
45 HG11 VAL 6 HG11 VAL 6 -8.164 0.926 -4.067
46 HG12 VAL 6 HG12 VAL 6 -6.809 2.003 -4.408
47 HG13 VAL 6 HG13 VAL 6 -8.292 2.646 -3.701
48 HG21 VAL 6 HG21 VAL 6 -8.841 0.334 -2.203
49 HG22 VAL 6 HG22 VAL 6 -8.439 1.187 -0.712
50 HG23 VAL 6 HG23 VAL 6 -7.508 -0.230 -1.196
51 H HIS 7 H HIS 7 -4.210 2.788 -1.747
52 HA HIS 7 HA HIS 7 -3.639 3.945 -4.310
53 HB2 HIS 7 HB2 HIS 7 -3.068 4.339 -1.523
54 HB3 HIS 7 HB3 HIS 7 -1.557 4.466 -2.426
55 HD1 HIS 7 HD1 HIS 7 -1.568 7.075 -2.007
56 HD2 HIS 7 HD2 HIS 7 -4.773 5.670 -4.274
57 HE1 HIS 7 HE1 HIS 7 -2.633 9.107 -3.080
58 H ALA 8 H ALA 8 -1.783 1.716 -2.219
59 HA ALA 8 HA ALA 8 0.506 1.490 -3.933
60 HB1 ALA 8 HB1 ALA 8 -0.022 -0.919 -2.458
61 HB2 ALA 8 HB2 ALA 8 -0.499 0.464 -1.473
62 HB3 ALA 8 HB3 ALA 8 1.148 0.350 -2.093
63 H GLY 9 H GLY 9 -1.968 -1.018 -3.361
64 HA2 GLY 9 HA2 GLY 9 -3.002 -1.533 -5.817
65 HA3 GLY 9 HA3 GLY 9 -1.380 -2.205 -5.989
66 H TRP 10 H TRP 10 -3.287 -2.250 -2.999
67 HA TRP 10 HA TRP 10 -3.012 -5.198 -2.932
68 HB2 TRP 10 HB2 TRP 10 -3.782 -2.995 -1.022
69 HB3 TRP 10 HB3 TRP 10 -4.078 -4.684 -0.605
70 HD1 TRP 10 HD1 TRP 10 -1.342 -2.120 -0.941
71 HE1 TRP 10 HE1 TRP 10 0.904 -3.152 -0.207
72 HE3 TRP 10 HE3 TRP 10 -2.712 -7.026 -0.533
73 HZ2 TRP 10 HZ2 TRP 10 1.977 -5.716 0.462
74 HZ3 TRP 10 HZ3 TRP 10 -1.058 -8.738 0.152
75 HH2 TRP 10 HH2 TRP 10 1.283 -8.090 0.649
76 H GLU 11 H GLU 11 -4.922 -6.550 -2.485
77 HA GLU 11 HA GLU 11 -7.605 -5.406 -2.818
78 HB2 GLU 11 HB2 GLU 11 -7.936 -6.821 -4.933
79 HB3 GLU 11 HB3 GLU 11 -6.926 -5.384 -5.114
80 HG2 GLU 11 HG2 GLU 11 -4.927 -6.646 -5.121
81 HG3 GLU 11 HG3 GLU 11 -5.721 -8.067 -4.441
82 H LYS 12 H LYS 12 -9.004 -6.725 -1.708
83 HA LYS 12 HA LYS 12 -8.065 -9.214 -0.524
84 HB2 LYS 12 HB2 LYS 12 -9.846 -7.293 0.136
85 HB3 LYS 12 HB3 LYS 12 -10.948 -8.475 -0.571
86 HG2 LYS 12 HG2 LYS 12 -9.929 -10.224 0.914
87 HG3 LYS 12 HG3 LYS 12 -8.997 -8.948 1.698
88 HD2 LYS 12 HD2 LYS 12 -11.077 -7.799 2.334
89 HD3 LYS 12 HD3 LYS 12 -12.023 -9.052 1.529
90 HE2 LYS 12 HE2 LYS 12 -10.894 -10.741 3.070
91 HE3 LYS 12 HE3 LYS 12 -10.277 -9.353 3.988
92 HZ1 LYS 12 HZ1 LYS 12 -12.495 -8.537 4.276
93 HZ2 LYS 12 HZ2 LYS 12 -12.459 -10.151 4.797
94 HZ3 LYS 12 HZ3 LYS 12 -13.135 -9.762 3.287
95 H CYS 13 H CYS 13 -8.322 -11.257 -1.358
96 HA CYS 13 HA CYS 13 -10.420 -11.706 -3.439
97 HB2 CYS 13 HB2 CYS 13 -7.438 -12.186 -3.592
98 HB3 CYS 13 HB3 CYS 13 -8.567 -13.032 -4.651
99 HG CYS 13 HG CYS 13 -7.721 -10.711 -5.727
100 H TRP 14 H TRP 14 -10.200 -14.277 -3.982
101 HA TRP 14 HA TRP 14 -10.114 -15.678 -1.323
102 HB2 TRP 14 HB2 TRP 14 -12.371 -15.457 -2.148
103 HB3 TRP 14 HB3 TRP 14 -11.890 -15.981 -3.763
104 HD1 TRP 14 HD1 TRP 14 -11.336 -18.564 -4.115
105 HE1 TRP 14 HE1 TRP 14 -11.993 -20.659 -2.763
106 HE3 TRP 14 HE3 TRP 14 -12.845 -16.365 0.239
107 HZ2 TRP 14 HZ2 TRP 14 -13.023 -21.315 -0.176
108 HZ3 TRP 14 HZ3 TRP 14 -13.660 -17.746 2.128
109 HH2 TRP 14 HH2 TRP 14 -13.750 -20.216 1.927
110 H SER 15 H SER 15 -8.132 -16.770 -1.414
111 HA SER 15 HA SER 15 -7.019 -17.853 -3.865
112 HB2 SER 15 HB2 SER 15 -5.983 -17.100 -1.542
113 HB3 SER 15 HB3 SER 15 -6.272 -18.782 -1.109
114 HG SER 15 HG SER 15 -5.051 -18.176 -3.561
115 H ARG 16 H ARG 16 -7.553 -19.795 -4.791
116 HA ARG 16 HA ARG 16 -9.546 -21.541 -3.606
117 HB2 ARG 16 HB2 ARG 16 -7.714 -21.693 -6.015
118 HB3 ARG 16 HB3 ARG 16 -8.955 -22.899 -5.671
119 HG2 ARG 16 HG2 ARG 16 -10.305 -20.481 -5.404
120 HG3 ARG 16 HG3 ARG 16 -9.243 -20.213 -6.787
121 HD2 ARG 16 HD2 ARG 16 -10.843 -22.764 -6.594
122 HD3 ARG 16 HD3 ARG 16 -11.582 -21.283 -7.237
123 HE ARG 16 HE ARG 16 -9.492 -21.210 -8.771
124 HH11 ARG 16 HH11 ARG 16 -11.668 -23.723 -8.336
125 HH12 ARG 16 HH12 ARG 16 -10.761 -24.900 -9.228
126 HH21 ARG 16 HH21 ARG 16 -7.961 -22.881 -9.558
127 HH22 ARG 16 HH22 ARG 16 -8.662 -24.423 -9.920
128 H ARG 17 H ARG 17 -6.018 -21.751 -4.086
129 HA ARG 17 HA ARG 17 -5.660 -24.437 -3.203
130 HB2 ARG 17 HB2 ARG 17 -3.991 -21.933 -3.308
131 HB3 ARG 17 HB3 ARG 17 -3.324 -23.416 -2.622
132 HG2 ARG 17 HG2 ARG 17 -3.951 -24.612 -4.734
133 HG3 ARG 17 HG3 ARG 17 -4.442 -23.060 -5.416
134 HD2 ARG 17 HD2 ARG 17 -2.261 -22.298 -5.605
135 HD3 ARG 17 HD3 ARG 17 -1.699 -23.259 -4.221
136 HE ARG 17 HE ARG 17 -2.312 -24.395 -6.922
137 HH11 ARG 17 HH11 ARG 17 -2.538 -26.400 -4.754
138 HH12 ARG 17 HH12 ARG 17 -0.926 -27.024 -4.639
139 HH21 ARG 17 HH21 ARG 17 0.502 -24.378 -6.370
140 HH22 ARG 17 HH22 ARG 17 0.796 -25.878 -5.554
141 H GLU 18 H GLU 18 -5.607 -21.373 -1.391
142 HA GLU 18 HA GLU 18 -5.170 -22.737 1.172
143 HB2 GLU 18 HB2 GLU 18 -5.076 -20.084 0.022
144 HB3 GLU 18 HB3 GLU 18 -5.991 -20.061 1.529
145 HG2 GLU 18 HG2 GLU 18 -3.259 -21.336 1.223
146 HG3 GLU 18 HG3 GLU 18 -3.525 -19.711 1.854
147 H ASN 19 H ASN 19 -7.870 -21.967 -0.786
148 HA ASN 19 HA ASN 19 -10.192 -22.175 -0.417
149 HB2 ASN 19 HB2 ASN 19 -9.389 -24.340 0.487
150 HB3 ASN 19 HB3 ASN 19 -9.159 -23.586 2.063
151 HD21 ASN 19 HD21 ASN 19 -10.925 -25.719 1.986
152 HD22 ASN 19 HD22 ASN 19 -12.526 -25.167 2.119
153 H ARG 20 H ARG 20 -9.144 -19.701 0.313
154 HA ARG 20 HA ARG 20 -11.107 -18.733 2.192
155 HB2 ARG 20 HB2 ARG 20 -9.401 -18.091 3.951
156 HB3 ARG 20 HB3 ARG 20 -9.674 -19.827 3.805
157 HG2 ARG 20 HG2 ARG 20 -7.416 -19.967 3.619
158 HG3 ARG 20 HG3 ARG 20 -7.680 -19.417 1.963
159 HD2 ARG 20 HD2 ARG 20 -6.403 -17.608 2.466
160 HD3 ARG 20 HD3 ARG 20 -7.711 -17.074 3.540
161 HE ARG 20 HE ARG 20 -5.598 -18.976 4.482
162 HH11 ARG 20 HH11 ARG 20 -6.565 -15.755 4.531
163 HH12 ARG 20 HH12 ARG 20 -6.504 -15.583 6.253
164 HH21 ARG 20 HH21 ARG 20 -5.959 -18.958 6.837
165 HH22 ARG 20 HH22 ARG 20 -6.162 -17.396 7.559
166 HA PRO 21 HA PRO 21 -9.705 -15.011 0.340
167 HB2 PRO 21 HB2 PRO 21 -10.445 -13.146 2.197
168 HB3 PRO 21 HB3 PRO 21 -11.601 -14.042 1.197
169 HG2 PRO 21 HG2 PRO 21 -11.025 -14.301 4.048
170 HG3 PRO 21 HG3 PRO 21 -12.428 -14.845 3.122
171 HD2 PRO 21 HD2 PRO 21 -10.201 -16.402 4.042
172 HD3 PRO 21 HD3 PRO 21 -11.630 -16.952 3.143
173 H TYR 22 H TYR 22 -8.263 -13.091 0.562
174 HA TYR 22 HA TYR 22 -6.439 -12.866 2.822
175 HB2 TYR 22 HB2 TYR 22 -4.481 -13.778 1.664
176 HB3 TYR 22 HB3 TYR 22 -5.751 -15.001 1.721
177 HD1 TYR 22 HD1 TYR 22 -7.410 -15.021 -0.317
178 HD2 TYR 22 HD2 TYR 22 -3.493 -13.261 -0.396
179 HE1 TYR 22 HE1 TYR 22 -7.395 -15.170 -2.793
180 HE2 TYR 22 HE2 TYR 22 -3.477 -13.411 -2.873
181 HH TYR 22 HH TYR 22 -6.144 -14.960 -4.637
182 H TYR 23 H TYR 23 -4.220 -11.909 1.166
183 HA TYR 23 HA TYR 23 -5.503 -9.568 -0.203
184 HB2 TYR 23 HB2 TYR 23 -3.171 -9.679 1.736
185 HB3 TYR 23 HB3 TYR 23 -3.614 -8.240 0.820
186 HD1 TYR 23 HD1 TYR 23 -4.720 -10.608 3.445
187 HD2 TYR 23 HD2 TYR 23 -5.570 -6.940 1.376
188 HE1 TYR 23 HE1 TYR 23 -6.439 -10.049 5.142
189 HE2 TYR 23 HE2 TYR 23 -7.289 -6.381 3.075
190 HH TYR 23 HH TYR 23 -8.431 -8.665 5.354
191 H PHE 24 H PHE 24 -4.687 -9.230 -2.243
192 HA PHE 24 HA PHE 24 -2.070 -10.527 -2.935
193 HB2 PHE 24 HB2 PHE 24 -3.893 -11.780 -3.897
194 HB3 PHE 24 HB3 PHE 24 -4.680 -10.304 -4.460
195 HD1 PHE 24 HD1 PHE 24 -3.677 -8.969 -6.303
196 HD2 PHE 24 HD2 PHE 24 -2.064 -12.768 -5.111
197 HE1 PHE 24 HE1 PHE 24 -2.400 -9.093 -8.426
198 HE2 PHE 24 HE2 PHE 24 -0.788 -12.893 -7.234
199 HZ PHE 24 HZ PHE 24 -0.956 -11.056 -8.892
200 H ASN 25 H ASN 25 -0.625 -8.888 -3.302
201 HA ASN 25 HA ASN 25 -1.497 -6.204 -4.078
202 HB2 ASN 25 HB2 ASN 25 0.474 -7.056 -2.564
203 HB3 ASN 25 HB3 ASN 25 1.332 -7.222 -4.092
204 HD21 ASN 25 HD21 ASN 25 -1.021 -4.727 -3.045
205 HD22 ASN 25 HD22 ASN 25 0.027 -3.413 -3.283
206 H ARG 26 H ARG 26 -2.235 -6.099 -6.208
207 HA ARG 26 HA ARG 26 -1.189 -7.650 -8.390
208 HB2 ARG 26 HB2 ARG 26 -2.640 -6.243 -9.697
209 HB3 ARG 26 HB3 ARG 26 -3.433 -6.463 -8.137
210 HG2 ARG 26 HG2 ARG 26 -2.419 -4.300 -7.377
211 HG3 ARG 26 HG3 ARG 26 -1.796 -4.066 -9.011
212 HD2 ARG 26 HD2 ARG 26 -4.162 -4.241 -9.869
213 HD3 ARG 26 HD3 ARG 26 -4.713 -4.251 -8.182
214 HE ARG 26 HE ARG 26 -2.863 -2.067 -8.835
215 HH11 ARG 26 HH11 ARG 26 -4.934 -1.939 -6.673
216 HH12 ARG 26 HH12 ARG 26 -6.129 -0.900 -7.377
217 HH21 ARG 26 HH21 ARG 26 -4.913 -1.249 -10.604
218 HH22 ARG 26 HH22 ARG 26 -6.116 -0.510 -9.602
219 H PHE 27 H PHE 27 0.130 -5.022 -6.689
220 HA PHE 27 HA PHE 27 1.605 -3.888 -8.987
221 HB2 PHE 27 HB2 PHE 27 0.561 -2.877 -6.696
222 HB3 PHE 27 HB3 PHE 27 2.218 -3.165 -6.171
223 HD1 PHE 27 HD1 PHE 27 4.122 -2.256 -7.654
224 HD2 PHE 27 HD2 PHE 27 0.029 -1.007 -8.028
225 HE1 PHE 27 HE1 PHE 27 4.854 -0.217 -8.864
226 HE2 PHE 27 HE2 PHE 27 0.760 1.030 -9.236
227 HZ PHE 27 HZ PHE 27 3.172 1.426 -9.655
228 H THR 28 H THR 28 2.380 -5.535 -5.893
229 HA THR 28 HA THR 28 5.109 -6.128 -6.973
230 HB THR 28 HB THR 28 5.711 -6.361 -4.623
231 HG1 THR 28 HG1 THR 28 4.239 -6.931 -3.266
232 HG21 THR 28 HG21 THR 28 4.946 -4.100 -3.774
233 HG22 THR 28 HG22 THR 28 3.932 -3.984 -5.211
234 HG23 THR 28 HG23 THR 28 5.685 -4.078 -5.375
235 H ASN 29 H ASN 29 2.285 -7.588 -7.188
236 HA ASN 29 HA ASN 29 1.585 -9.838 -7.347
237 HB2 ASN 29 HB2 ASN 29 3.565 -9.924 -8.774
238 HB3 ASN 29 HB3 ASN 29 4.607 -10.121 -7.365
239 HD21 ASN 29 HD21 ASN 29 1.519 -11.716 -8.359
240 HD22 ASN 29 HD22 ASN 29 2.116 -13.296 -8.196
241 H GLN 30 H GLN 30 2.570 -8.548 -4.610
242 HA GLN 30 HA GLN 30 3.482 -10.671 -2.933
243 HB2 GLN 30 HB2 GLN 30 2.705 -7.943 -2.781
244 HB3 GLN 30 HB3 GLN 30 1.767 -8.807 -1.562
245 HG2 GLN 30 HG2 GLN 30 3.725 -9.660 -0.508
246 HG3 GLN 30 HG3 GLN 30 4.743 -9.203 -1.874
247 HE21 GLN 30 HE21 GLN 30 4.912 -8.330 1.027
248 HE22 GLN 30 HE22 GLN 30 4.849 -6.634 0.978
249 H SER 31 H SER 31 2.197 -11.806 -1.277
250 HA SER 31 HA SER 31 -0.722 -12.047 -1.781
251 HB2 SER 31 HB2 SER 31 0.676 -14.629 -1.553
252 HB3 SER 31 HB3 SER 31 -0.580 -14.134 -2.684
253 HG SER 31 HG SER 31 0.932 -13.800 -4.090
254 H LEU 32 H LEU 32 -0.878 -11.139 0.378
255 HA LEU 32 HA LEU 32 0.383 -12.602 2.619
256 HB2 LEU 32 HB2 LEU 32 -1.448 -10.184 2.492
257 HB3 LEU 32 HB3 LEU 32 -0.544 -10.715 3.910
258 HG LEU 32 HG LEU 32 0.611 -9.750 1.280
259 HD11 LEU 32 HD11 LEU 32 1.357 -7.861 2.494
260 HD12 LEU 32 HD12 LEU 32 1.085 -8.648 4.049
261 HD13 LEU 32 HD13 LEU 32 -0.288 -8.115 3.078
262 HD21 LEU 32 HD21 LEU 32 1.715 -11.413 3.442
263 HD22 LEU 32 HD22 LEU 32 2.688 -9.989 3.075
264 HD23 LEU 32 HD23 LEU 32 2.317 -11.155 1.804
265 H TRP 33 H TRP 33 -1.530 -12.286 4.565
266 HA TRP 33 HA TRP 33 -3.934 -13.802 3.631
267 HB2 TRP 33 HB2 TRP 33 -2.085 -14.426 5.956
268 HB3 TRP 33 HB3 TRP 33 -3.561 -15.309 5.579
269 HD1 TRP 33 HD1 TRP 33 -0.010 -15.454 5.005
270 HE1 TRP 33 HE1 TRP 33 0.578 -16.969 2.999
271 HE3 TRP 33 HE3 TRP 33 -4.620 -15.897 2.885
272 HZ2 TRP 33 HZ2 TRP 33 -0.750 -18.204 0.782
273 HZ3 TRP 33 HZ3 TRP 33 -4.938 -17.246 0.828
274 HH2 TRP 33 HH2 TRP 33 -3.011 -18.399 -0.224
275 H GLU 34 H GLU 34 -2.808 -11.091 5.088
276 HA GLU 34 HA GLU 34 -5.342 -10.635 6.537
277 HB2 GLU 34 HB2 GLU 34 -2.906 -11.489 7.795
278 HB3 GLU 34 HB3 GLU 34 -3.229 -9.824 8.283
279 HG2 GLU 34 HG2 GLU 34 -5.470 -11.823 8.301
280 HG3 GLU 34 HG3 GLU 34 -4.314 -11.805 9.633
281 H MET 35 H MET 35 -5.765 -8.370 6.732
282 HA MET 35 HA MET 35 -4.909 -6.572 4.848
283 HB2 MET 35 HB2 MET 35 -6.292 -6.555 7.329
284 HB3 MET 35 HB3 MET 35 -5.170 -5.194 7.358
285 HG2 MET 35 HG2 MET 35 -6.529 -5.515 4.781
286 HG3 MET 35 HG3 MET 35 -7.637 -5.195 6.113
287 HE1 MET 35 HE1 MET 35 -6.431 -2.111 7.785
288 HE2 MET 35 HE2 MET 35 -7.126 -3.733 7.913
289 HE3 MET 35 HE3 MET 35 -7.972 -2.476 7.015
290 HA PRO 36 HA PRO 36 -0.648 -5.969 5.972
291 HB2 PRO 36 HB2 PRO 36 -0.006 -4.406 3.826
292 HB3 PRO 36 HB3 PRO 36 -0.200 -6.165 3.714
293 HG2 PRO 36 HG2 PRO 36 -1.991 -4.014 2.799
294 HG3 PRO 36 HG3 PRO 36 -1.805 -5.666 2.197
295 HD2 PRO 36 HD2 PRO 36 -3.856 -4.697 3.870
296 HD3 PRO 36 HD3 PRO 36 -3.529 -6.392 3.461
297 H VAL 37 H VAL 37 0.801 -3.771 5.850
298 HA VAL 37 HA VAL 37 -0.878 -1.580 7.035
299 HB VAL 37 HB VAL 37 2.003 -2.269 7.673
300 HG11 VAL 37 HG11 VAL 37 -0.040 -0.352 8.656
301 HG12 VAL 37 HG12 VAL 37 1.718 -0.212 8.634
302 HG13 VAL 37 HG13 VAL 37 0.924 -1.153 9.898
303 HG21 VAL 37 HG21 VAL 37 0.707 -3.181 9.826
304 HG22 VAL 37 HG22 VAL 37 1.012 -4.217 8.432
305 HG23 VAL 37 HG23 VAL 37 -0.566 -3.457 8.637
306 H LEU 38 H LEU 38 0.463 0.579 6.951
307 HA LEU 38 HA LEU 38 2.130 0.770 4.490
308 HB2 LEU 38 HB2 LEU 38 -0.650 1.564 4.827
309 HB3 LEU 38 HB3 LEU 38 0.357 2.942 4.384
310 HG LEU 38 HG LEU 38 0.314 0.286 2.921
311 HD11 LEU 38 HD11 LEU 38 -1.742 1.894 2.801
312 HD12 LEU 38 HD12 LEU 38 -1.055 1.285 1.296
313 HD13 LEU 38 HD13 LEU 38 -0.674 2.918 1.841
314 HD21 LEU 38 HD21 LEU 38 2.010 2.706 2.817
315 HD22 LEU 38 HD22 LEU 38 1.412 2.160 1.250
316 HD23 LEU 38 HD23 LEU 38 2.354 1.067 2.265
317 H GLY 39 H GLY 39 3.457 2.684 4.476
318 HA2 GLY 39 HA2 GLY 39 3.565 4.090 7.116
319 HA3 GLY 39 HA3 GLY 39 4.988 3.760 6.127
320 H GLN 40 H GLN 40 1.775 5.228 5.520
321 HA GLN 40 HA GLN 40 2.872 7.119 3.601
322 HB2 GLN 40 HB2 GLN 40 0.265 6.420 4.862
323 HB3 GLN 40 HB3 GLN 40 0.402 8.045 4.188
324 HG2 GLN 40 HG2 GLN 40 1.530 6.018 2.413
325 HG3 GLN 40 HG3 GLN 40 -0.178 5.733 2.752
326 HE21 GLN 40 HE21 GLN 40 -1.181 6.544 0.867
327 HE22 GLN 40 HE22 GLN 40 -0.973 8.128 0.291
328 H HIS 41 H HIS 41 2.792 7.032 7.004
329 HA HIS 41 HA HIS 41 3.434 9.952 7.108
330 HB2 HIS 41 HB2 HIS 41 1.042 9.468 7.712
331 HB3 HIS 41 HB3 HIS 41 1.626 8.449 9.027
332 HD1 HIS 41 HD1 HIS 41 0.984 9.876 11.023
333 HD2 HIS 41 HD2 HIS 41 3.136 12.015 8.163
334 HE1 HIS 41 HE1 HIS 41 1.520 12.123 12.062
335 H ASP 42 H ASP 42 5.522 8.294 7.100
336 HA ASP 42 HA ASP 42 6.248 6.975 9.523
337 HB2 ASP 42 HB2 ASP 42 7.915 8.353 7.392
338 HB3 ASP 42 HB3 ASP 42 8.527 7.172 8.548
339 H VAL 43 H VAL 43 8.634 8.063 10.377
340 HA VAL 43 HA VAL 43 7.720 10.360 11.970
341 HB VAL 43 HB VAL 43 10.385 8.912 11.837
342 HG11 VAL 43 HG11 VAL 43 9.098 10.771 13.847
343 HG12 VAL 43 HG12 VAL 43 10.649 10.965 13.030
344 HG13 VAL 43 HG13 VAL 43 10.451 9.719 14.263
345 HG21 VAL 43 HG21 VAL 43 7.992 7.750 12.432
346 HG22 VAL 43 HG22 VAL 43 8.459 8.359 14.020
347 HG23 VAL 43 HG23 VAL 43 9.524 7.253 13.152
348 H ILE 44 H ILE 44 8.112 12.465 11.388
349 HA ILE 44 HA ILE 44 9.742 13.067 9.026
350 HB ILE 44 HB ILE 44 8.898 15.349 9.486
351 HG12 ILE 44 HG12 ILE 44 7.095 15.002 11.575
352 HG13 ILE 44 HG13 ILE 44 8.547 14.176 12.142
353 HG21 ILE 44 HG21 ILE 44 6.515 14.850 9.258
354 HG22 ILE 44 HG22 ILE 44 6.773 13.226 9.897
355 HG23 ILE 44 HG23 ILE 44 7.454 13.677 8.334
356 HD11 ILE 44 HD11 ILE 44 9.690 16.396 11.136
357 HD12 ILE 44 HD12 ILE 44 9.115 16.300 12.800
358 HD13 ILE 44 HD13 ILE 44 8.115 17.062 11.564
359 H SER 45 H SER 45 11.952 12.943 9.400
360 HA SER 45 HA SER 45 13.019 14.374 11.814
361 HB2 SER 45 HB2 SER 45 13.753 11.854 10.359
362 HB3 SER 45 HB3 SER 45 15.006 12.733 11.231
363 HG SER 45 HG SER 45 14.215 11.632 12.857
364 H ASP 46 H ASP 46 14.784 13.171 9.004
365 HA ASP 46 HA ASP 46 16.105 14.310 7.406
366 HB2 ASP 46 HB2 ASP 46 13.777 15.261 7.028
367 HB3 ASP 46 HB3 ASP 46 14.246 16.615 8.056
368 HA PRO 47 HA PRO 47 18.494 16.322 10.751
369 HB2 PRO 47 HB2 PRO 47 20.892 15.236 10.003
370 HB3 PRO 47 HB3 PRO 47 19.730 14.389 11.044
371 HG2 PRO 47 HG2 PRO 47 20.261 14.054 8.136
372 HG3 PRO 47 HG3 PRO 47 19.891 12.834 9.364
373 HD2 PRO 47 HD2 PRO 47 18.060 13.783 7.571
374 HD3 PRO 47 HD3 PRO 47 17.633 13.137 9.171
Start of MODEL 19
1 H LEU 1 H LEU 1 -10.122 -3.232 1.873
2 HA LEU 1 HA LEU 1 -8.290 -1.931 3.261
3 HB2 LEU 1 HB2 LEU 1 -8.780 -2.113 0.274
4 HB3 LEU 1 HB3 LEU 1 -7.220 -1.665 0.967
5 HG LEU 1 HG LEU 1 -8.206 -4.021 2.294
6 HD11 LEU 1 HD11 LEU 1 -7.893 -4.316 -0.705
7 HD12 LEU 1 HD12 LEU 1 -9.457 -4.268 0.108
8 HD13 LEU 1 HD13 LEU 1 -8.323 -5.574 0.453
9 HD21 LEU 1 HD21 LEU 1 -5.937 -4.026 2.361
10 HD22 LEU 1 HD22 LEU 1 -5.811 -3.002 0.932
11 HD23 LEU 1 HD23 LEU 1 -6.024 -4.743 0.752
12 HA PRO 2 HA PRO 2 -9.411 2.366 3.141
13 HB2 PRO 2 HB2 PRO 2 -7.151 3.323 4.348
14 HB3 PRO 2 HB3 PRO 2 -8.465 2.532 5.240
15 HG2 PRO 2 HG2 PRO 2 -5.836 1.444 4.381
16 HG3 PRO 2 HG3 PRO 2 -6.753 1.142 5.864
17 HD2 PRO 2 HD2 PRO 2 -6.651 -0.591 3.743
18 HD3 PRO 2 HD3 PRO 2 -7.989 -0.523 4.912
19 H GLU 3 H GLU 3 -8.452 4.398 2.227
20 HA GLU 3 HA GLU 3 -7.493 4.158 -0.394
21 HB2 GLU 3 HB2 GLU 3 -7.668 6.228 1.714
22 HB3 GLU 3 HB3 GLU 3 -6.512 6.576 0.428
23 HG2 GLU 3 HG2 GLU 3 -8.450 7.447 -0.506
24 HG3 GLU 3 HG3 GLU 3 -8.504 5.799 -1.133
25 H GLU 4 H GLU 4 -5.659 4.191 2.626
26 HA GLU 4 HA GLU 4 -3.056 4.693 1.626
27 HB2 GLU 4 HB2 GLU 4 -4.090 2.958 3.885
28 HB3 GLU 4 HB3 GLU 4 -2.393 3.399 3.689
29 HG2 GLU 4 HG2 GLU 4 -2.741 5.568 4.331
30 HG3 GLU 4 HG3 GLU 4 -4.336 5.640 3.582
31 H LEU 5 H LEU 5 -4.807 1.606 1.945
32 HA LEU 5 HA LEU 5 -2.616 0.049 0.802
33 HB2 LEU 5 HB2 LEU 5 -5.513 -0.472 1.509
34 HB3 LEU 5 HB3 LEU 5 -4.444 -1.726 0.880
35 HG LEU 5 HG LEU 5 -4.083 -0.134 3.432
36 HD11 LEU 5 HD11 LEU 5 -4.194 -3.131 3.069
37 HD12 LEU 5 HD12 LEU 5 -5.657 -2.174 3.299
38 HD13 LEU 5 HD13 LEU 5 -4.414 -2.199 4.551
39 HD21 LEU 5 HD21 LEU 5 -1.865 -0.384 2.991
40 HD22 LEU 5 HD22 LEU 5 -2.161 -1.562 1.712
41 HD23 LEU 5 HD23 LEU 5 -2.132 -2.079 3.399
42 H VAL 6 H VAL 6 -5.744 1.285 -0.341
43 HA VAL 6 HA VAL 6 -5.843 0.046 -2.881
44 HB VAL 6 HB VAL 6 -6.768 2.705 -1.780
45 HG11 VAL 6 HG11 VAL 6 -7.032 1.565 -4.552
46 HG12 VAL 6 HG12 VAL 6 -6.688 3.225 -4.063
47 HG13 VAL 6 HG13 VAL 6 -8.318 2.574 -3.887
48 HG21 VAL 6 HG21 VAL 6 -8.286 0.207 -2.597
49 HG22 VAL 6 HG22 VAL 6 -8.937 1.607 -1.745
50 HG23 VAL 6 HG23 VAL 6 -7.770 0.555 -0.946
51 H HIS 7 H HIS 7 -4.047 2.884 -1.785
52 HA HIS 7 HA HIS 7 -3.231 3.866 -4.352
53 HB2 HIS 7 HB2 HIS 7 -2.892 4.433 -1.599
54 HB3 HIS 7 HB3 HIS 7 -1.268 4.257 -2.263
55 HD1 HIS 7 HD1 HIS 7 -0.554 5.916 -4.147
56 HD2 HIS 7 HD2 HIS 7 -4.342 6.668 -2.578
57 HE1 HIS 7 HE1 HIS 7 -1.226 8.216 -4.970
58 H ALA 8 H ALA 8 -1.676 1.600 -2.064
59 HA ALA 8 HA ALA 8 0.706 1.164 -3.598
60 HB1 ALA 8 HB1 ALA 8 -0.723 0.053 -1.285
61 HB2 ALA 8 HB2 ALA 8 1.008 0.296 -1.517
62 HB3 ALA 8 HB3 ALA 8 0.227 -1.149 -2.157
63 H GLY 9 H GLY 9 -2.286 -0.771 -3.353
64 HA2 GLY 9 HA2 GLY 9 -3.113 -1.497 -5.693
65 HA3 GLY 9 HA3 GLY 9 -1.487 -2.153 -5.878
66 H TRP 10 H TRP 10 -3.365 -2.232 -2.880
67 HA TRP 10 HA TRP 10 -3.058 -5.176 -2.819
68 HB2 TRP 10 HB2 TRP 10 -3.848 -2.983 -0.907
69 HB3 TRP 10 HB3 TRP 10 -4.138 -4.672 -0.491
70 HD1 TRP 10 HD1 TRP 10 -1.418 -2.096 -0.802
71 HE1 TRP 10 HE1 TRP 10 0.832 -3.120 -0.070
72 HE3 TRP 10 HE3 TRP 10 -2.758 -7.016 -0.446
73 HZ2 TRP 10 HZ2 TRP 10 1.920 -5.685 0.577
74 HZ3 TRP 10 HZ3 TRP 10 -1.096 -8.722 0.228
75 HH2 TRP 10 HH2 TRP 10 1.239 -8.065 0.740
76 H GLU 11 H GLU 11 -4.919 -6.572 -2.430
77 HA GLU 11 HA GLU 11 -7.635 -5.479 -2.716
78 HB2 GLU 11 HB2 GLU 11 -7.951 -6.897 -4.833
79 HB3 GLU 11 HB3 GLU 11 -6.980 -5.435 -5.018
80 HG2 GLU 11 HG2 GLU 11 -4.943 -6.655 -5.022
81 HG3 GLU 11 HG3 GLU 11 -5.720 -8.106 -4.386
82 H LYS 12 H LYS 12 -8.878 -6.779 -1.431
83 HA LYS 12 HA LYS 12 -7.875 -9.343 -0.456
84 HB2 LYS 12 HB2 LYS 12 -9.379 -7.432 0.610
85 HB3 LYS 12 HB3 LYS 12 -10.691 -8.373 -0.099
86 HG2 LYS 12 HG2 LYS 12 -9.947 -10.374 1.090
87 HG3 LYS 12 HG3 LYS 12 -8.560 -9.500 1.741
88 HD2 LYS 12 HD2 LYS 12 -9.999 -9.241 3.519
89 HD3 LYS 12 HD3 LYS 12 -10.492 -7.839 2.569
90 HE2 LYS 12 HE2 LYS 12 -11.830 -10.439 1.943
91 HE3 LYS 12 HE3 LYS 12 -12.296 -9.616 3.446
92 HZ1 LYS 12 HZ1 LYS 12 -13.600 -8.450 2.025
93 HZ2 LYS 12 HZ2 LYS 12 -12.608 -8.741 0.680
94 HZ3 LYS 12 HZ3 LYS 12 -12.178 -7.547 1.810
95 H CYS 13 H CYS 13 -8.318 -11.329 -1.341
96 HA CYS 13 HA CYS 13 -10.715 -11.622 -3.101
97 HB2 CYS 13 HB2 CYS 13 -7.802 -12.006 -3.731
98 HB3 CYS 13 HB3 CYS 13 -8.998 -13.008 -4.553
99 HG CYS 13 HG CYS 13 -8.386 -10.278 -5.406
100 H TRP 14 H TRP 14 -10.390 -14.235 -3.857
101 HA TRP 14 HA TRP 14 -10.180 -15.707 -1.246
102 HB2 TRP 14 HB2 TRP 14 -12.470 -15.493 -2.040
103 HB3 TRP 14 HB3 TRP 14 -12.004 -16.054 -3.647
104 HD1 TRP 14 HD1 TRP 14 -11.433 -18.637 -3.945
105 HE1 TRP 14 HE1 TRP 14 -12.025 -20.702 -2.520
106 HE3 TRP 14 HE3 TRP 14 -12.852 -16.342 0.389
107 HZ2 TRP 14 HZ2 TRP 14 -12.975 -21.302 0.111
108 HZ3 TRP 14 HZ3 TRP 14 -13.596 -17.681 2.337
109 HH2 TRP 14 HH2 TRP 14 -13.658 -20.156 2.204
110 H SER 15 H SER 15 -8.195 -16.769 -1.409
111 HA SER 15 HA SER 15 -7.112 -17.742 -3.924
112 HB2 SER 15 HB2 SER 15 -5.697 -17.035 -2.068
113 HB3 SER 15 HB3 SER 15 -6.446 -18.221 -1.002
114 HG SER 15 HG SER 15 -4.502 -19.029 -1.807
115 H ARG 16 H ARG 16 -7.492 -19.727 -4.859
116 HA ARG 16 HA ARG 16 -9.460 -21.533 -3.682
117 HB2 ARG 16 HB2 ARG 16 -7.659 -21.735 -6.118
118 HB3 ARG 16 HB3 ARG 16 -9.051 -22.768 -5.794
119 HG2 ARG 16 HG2 ARG 16 -10.569 -20.909 -5.945
120 HG3 ARG 16 HG3 ARG 16 -9.237 -19.753 -5.989
121 HD2 ARG 16 HD2 ARG 16 -9.774 -19.927 -8.268
122 HD3 ARG 16 HD3 ARG 16 -8.508 -21.161 -8.120
123 HE ARG 16 HE ARG 16 -10.331 -22.848 -7.843
124 HH11 ARG 16 HH11 ARG 16 -12.664 -21.207 -7.240
125 HH12 ARG 16 HH12 ARG 16 -13.454 -21.040 -8.773
126 HH21 ARG 16 HH21 ARG 16 -10.670 -21.993 -10.607
127 HH22 ARG 16 HH22 ARG 16 -12.325 -21.486 -10.679
128 H ARG 17 H ARG 17 -5.945 -21.418 -3.911
129 HA ARG 17 HA ARG 17 -5.452 -24.194 -3.281
130 HB2 ARG 17 HB2 ARG 17 -4.014 -21.681 -3.672
131 HB3 ARG 17 HB3 ARG 17 -3.281 -22.675 -2.413
132 HG2 ARG 17 HG2 ARG 17 -2.809 -24.423 -3.870
133 HG3 ARG 17 HG3 ARG 17 -4.101 -23.976 -4.986
134 HD2 ARG 17 HD2 ARG 17 -2.734 -21.840 -5.458
135 HD3 ARG 17 HD3 ARG 17 -1.389 -22.677 -4.657
136 HE ARG 17 HE ARG 17 -2.807 -24.218 -6.738
137 HH11 ARG 17 HH11 ARG 17 0.146 -23.666 -5.372
138 HH12 ARG 17 HH12 ARG 17 1.038 -23.553 -6.852
139 HH21 ARG 17 HH21 ARG 17 -1.789 -23.460 -8.858
140 HH22 ARG 17 HH22 ARG 17 -0.058 -23.435 -8.826
141 H GLU 18 H GLU 18 -5.425 -21.230 -1.298
142 HA GLU 18 HA GLU 18 -5.038 -22.712 1.195
143 HB2 GLU 18 HB2 GLU 18 -4.939 -20.025 0.172
144 HB3 GLU 18 HB3 GLU 18 -5.949 -20.056 1.618
145 HG2 GLU 18 HG2 GLU 18 -3.142 -21.180 1.396
146 HG3 GLU 18 HG3 GLU 18 -3.587 -19.684 2.217
147 H ASN 19 H ASN 19 -7.710 -21.967 -0.782
148 HA ASN 19 HA ASN 19 -10.033 -22.237 -0.462
149 HB2 ASN 19 HB2 ASN 19 -9.155 -24.392 0.436
150 HB3 ASN 19 HB3 ASN 19 -9.032 -23.650 2.030
151 HD21 ASN 19 HD21 ASN 19 -11.247 -25.070 -0.274
152 HD22 ASN 19 HD22 ASN 19 -12.643 -24.924 0.681
153 H ARG 20 H ARG 20 -8.996 -19.761 0.348
154 HA ARG 20 HA ARG 20 -11.024 -18.855 2.202
155 HB2 ARG 20 HB2 ARG 20 -9.398 -18.224 4.011
156 HB3 ARG 20 HB3 ARG 20 -9.557 -19.964 3.800
157 HG2 ARG 20 HG2 ARG 20 -7.393 -20.182 3.180
158 HG3 ARG 20 HG3 ARG 20 -7.500 -18.817 2.067
159 HD2 ARG 20 HD2 ARG 20 -7.149 -17.231 3.876
160 HD3 ARG 20 HD3 ARG 20 -7.225 -18.532 5.081
161 HE ARG 20 HE ARG 20 -5.236 -19.070 3.036
162 HH11 ARG 20 HH11 ARG 20 -5.787 -16.805 5.534
163 HH12 ARG 20 HH12 ARG 20 -4.208 -16.960 6.226
164 HH21 ARG 20 HH21 ARG 20 -3.236 -19.518 4.093
165 HH22 ARG 20 HH22 ARG 20 -2.761 -18.495 5.408
166 HA PRO 21 HA PRO 21 -9.687 -15.073 0.430
167 HB2 PRO 21 HB2 PRO 21 -10.427 -13.251 2.332
168 HB3 PRO 21 HB3 PRO 21 -11.584 -14.140 1.326
169 HG2 PRO 21 HG2 PRO 21 -10.971 -14.449 4.166
170 HG3 PRO 21 HG3 PRO 21 -12.382 -14.987 3.248
171 HD2 PRO 21 HD2 PRO 21 -10.133 -16.540 4.110
172 HD3 PRO 21 HD3 PRO 21 -11.562 -17.088 3.211
173 H TYR 22 H TYR 22 -8.246 -13.158 0.659
174 HA TYR 22 HA TYR 22 -6.411 -12.950 2.912
175 HB2 TYR 22 HB2 TYR 22 -4.456 -13.847 1.737
176 HB3 TYR 22 HB3 TYR 22 -5.725 -15.069 1.781
177 HD1 TYR 22 HD1 TYR 22 -7.416 -15.006 -0.261
178 HD2 TYR 22 HD2 TYR 22 -3.447 -13.366 -0.314
179 HE1 TYR 22 HE1 TYR 22 -7.400 -15.126 -2.738
180 HE2 TYR 22 HE2 TYR 22 -3.429 -13.488 -2.791
181 HH TYR 22 HH TYR 22 -6.017 -13.724 -4.636
182 H TYR 23 H TYR 23 -4.219 -12.065 1.049
183 HA TYR 23 HA TYR 23 -5.518 -9.680 -0.208
184 HB2 TYR 23 HB2 TYR 23 -3.169 -9.770 1.713
185 HB3 TYR 23 HB3 TYR 23 -3.672 -8.328 0.833
186 HD1 TYR 23 HD1 TYR 23 -4.737 -10.832 3.366
187 HD2 TYR 23 HD2 TYR 23 -5.587 -7.057 1.499
188 HE1 TYR 23 HE1 TYR 23 -6.458 -10.365 5.090
189 HE2 TYR 23 HE2 TYR 23 -7.307 -6.592 3.221
190 HH TYR 23 HH TYR 23 -8.571 -7.552 4.861
191 H PHE 24 H PHE 24 -4.703 -9.312 -2.241
192 HA PHE 24 HA PHE 24 -2.087 -10.600 -2.949
193 HB2 PHE 24 HB2 PHE 24 -3.877 -11.842 -3.952
194 HB3 PHE 24 HB3 PHE 24 -4.711 -10.366 -4.442
195 HD1 PHE 24 HD1 PHE 24 -1.425 -12.122 -4.884
196 HD2 PHE 24 HD2 PHE 24 -4.405 -9.554 -6.612
197 HE1 PHE 24 HE1 PHE 24 -0.192 -12.139 -7.036
198 HE2 PHE 24 HE2 PHE 24 -3.170 -9.571 -8.764
199 HZ PHE 24 HZ PHE 24 -1.065 -10.864 -8.976
200 H ASN 25 H ASN 25 -0.653 -8.929 -3.223
201 HA ASN 25 HA ASN 25 -1.511 -6.244 -3.984
202 HB2 ASN 25 HB2 ASN 25 0.462 -7.111 -2.491
203 HB3 ASN 25 HB3 ASN 25 1.310 -7.285 -4.022
204 HD21 ASN 25 HD21 ASN 25 -1.014 -4.761 -2.979
205 HD22 ASN 25 HD22 ASN 25 0.050 -3.461 -3.215
206 H ARG 26 H ARG 26 -2.232 -6.058 -6.108
207 HA ARG 26 HA ARG 26 -1.191 -7.609 -8.310
208 HB2 ARG 26 HB2 ARG 26 -2.679 -6.234 -9.595
209 HB3 ARG 26 HB3 ARG 26 -3.451 -6.442 -8.024
210 HG2 ARG 26 HG2 ARG 26 -2.667 -4.266 -7.287
211 HG3 ARG 26 HG3 ARG 26 -1.724 -4.065 -8.764
212 HD2 ARG 26 HD2 ARG 26 -3.936 -4.297 -10.045
213 HD3 ARG 26 HD3 ARG 26 -4.738 -4.088 -8.476
214 HE ARG 26 HE ARG 26 -2.854 -2.043 -8.563
215 HH11 ARG 26 HH11 ARG 26 -3.413 -2.209 -11.553
216 HH12 ARG 26 HH12 ARG 26 -4.686 -1.046 -11.721
217 HH21 ARG 26 HH21 ARG 26 -5.388 -0.932 -8.327
218 HH22 ARG 26 HH22 ARG 26 -5.804 -0.322 -9.895
219 H PHE 27 H PHE 27 0.151 -5.054 -6.561
220 HA PHE 27 HA PHE 27 1.545 -3.760 -8.811
221 HB2 PHE 27 HB2 PHE 27 0.658 -2.980 -6.359
222 HB3 PHE 27 HB3 PHE 27 2.345 -3.327 -5.986
223 HD1 PHE 27 HD1 PHE 27 0.349 -1.691 -8.717
224 HD2 PHE 27 HD2 PHE 27 3.855 -1.573 -6.238
225 HE1 PHE 27 HE1 PHE 27 1.017 0.456 -9.764
226 HE2 PHE 27 HE2 PHE 27 4.523 0.574 -7.285
227 HZ PHE 27 HZ PHE 27 3.104 1.588 -9.047
228 H THR 28 H THR 28 2.504 -5.637 -5.905
229 HA THR 28 HA THR 28 5.088 -6.283 -7.277
230 HB THR 28 HB THR 28 5.136 -5.045 -5.110
231 HG1 THR 28 HG1 THR 28 6.362 -6.868 -3.999
232 HG21 THR 28 HG21 THR 28 3.935 -5.694 -3.305
233 HG22 THR 28 HG22 THR 28 4.365 -7.390 -3.525
234 HG23 THR 28 HG23 THR 28 3.031 -6.693 -4.443
235 H ASN 29 H ASN 29 2.198 -7.600 -7.178
236 HA ASN 29 HA ASN 29 1.377 -9.804 -7.343
237 HB2 ASN 29 HB2 ASN 29 3.331 -9.901 -8.873
238 HB3 ASN 29 HB3 ASN 29 4.354 -10.367 -7.515
239 HD21 ASN 29 HD21 ASN 29 4.816 -12.548 -8.052
240 HD22 ASN 29 HD22 ASN 29 3.623 -13.734 -8.272
241 H GLN 30 H GLN 30 2.528 -8.615 -4.655
242 HA GLN 30 HA GLN 30 3.480 -10.784 -3.059
243 HB2 GLN 30 HB2 GLN 30 2.746 -8.052 -2.814
244 HB3 GLN 30 HB3 GLN 30 1.849 -8.931 -1.576
245 HG2 GLN 30 HG2 GLN 30 3.825 -9.804 -0.605
246 HG3 GLN 30 HG3 GLN 30 4.794 -9.390 -2.019
247 HE21 GLN 30 HE21 GLN 30 4.410 -8.431 1.083
248 HE22 GLN 30 HE22 GLN 30 4.702 -6.766 0.931
249 H SER 31 H SER 31 2.254 -11.973 -1.405
250 HA SER 31 HA SER 31 -0.688 -12.164 -1.839
251 HB2 SER 31 HB2 SER 31 -0.110 -14.769 -1.723
252 HB3 SER 31 HB3 SER 31 -0.054 -13.896 -3.253
253 HG SER 31 HG SER 31 1.852 -15.229 -2.547
254 H LEU 32 H LEU 32 -0.852 -11.239 0.310
255 HA LEU 32 HA LEU 32 0.431 -12.674 2.561
256 HB2 LEU 32 HB2 LEU 32 -1.400 -10.256 2.413
257 HB3 LEU 32 HB3 LEU 32 -0.498 -10.773 3.837
258 HG LEU 32 HG LEU 32 0.648 -9.817 1.202
259 HD11 LEU 32 HD11 LEU 32 -0.091 -8.031 2.711
260 HD12 LEU 32 HD12 LEU 32 1.672 -8.084 2.666
261 HD13 LEU 32 HD13 LEU 32 0.803 -8.763 4.043
262 HD21 LEU 32 HD21 LEU 32 1.978 -11.045 3.631
263 HD22 LEU 32 HD22 LEU 32 2.854 -10.153 2.386
264 HD23 LEU 32 HD23 LEU 32 2.018 -11.650 1.975
265 H TRP 33 H TRP 33 -1.472 -12.359 4.515
266 HA TRP 33 HA TRP 33 -3.880 -13.875 3.591
267 HB2 TRP 33 HB2 TRP 33 -2.005 -14.493 5.896
268 HB3 TRP 33 HB3 TRP 33 -3.505 -15.357 5.572
269 HD1 TRP 33 HD1 TRP 33 0.032 -15.545 4.892
270 HE1 TRP 33 HE1 TRP 33 0.542 -17.113 2.904
271 HE3 TRP 33 HE3 TRP 33 -4.649 -16.009 2.944
272 HZ2 TRP 33 HZ2 TRP 33 -0.870 -18.393 0.764
273 HZ3 TRP 33 HZ3 TRP 33 -5.048 -17.405 0.933
274 HH2 TRP 33 HH2 TRP 33 -3.167 -18.596 -0.158
275 H GLU 34 H GLU 34 -2.745 -11.160 5.034
276 HA GLU 34 HA GLU 34 -5.272 -10.708 6.506
277 HB2 GLU 34 HB2 GLU 34 -2.802 -11.503 7.731
278 HB3 GLU 34 HB3 GLU 34 -3.134 -9.832 8.189
279 HG2 GLU 34 HG2 GLU 34 -5.548 -11.453 8.282
280 HG3 GLU 34 HG3 GLU 34 -4.286 -12.115 9.321
281 H MET 35 H MET 35 -5.735 -8.452 6.643
282 HA MET 35 HA MET 35 -4.928 -6.674 4.718
283 HB2 MET 35 HB2 MET 35 -6.151 -6.605 7.343
284 HB3 MET 35 HB3 MET 35 -5.213 -5.137 7.060
285 HG2 MET 35 HG2 MET 35 -6.537 -5.643 4.638
286 HG3 MET 35 HG3 MET 35 -7.739 -5.946 5.888
287 HE1 MET 35 HE1 MET 35 -8.324 -4.647 7.648
288 HE2 MET 35 HE2 MET 35 -9.326 -3.739 6.507
289 HE3 MET 35 HE3 MET 35 -8.370 -2.887 7.717
290 HA PRO 36 HA PRO 36 -0.653 -6.022 5.753
291 HB2 PRO 36 HB2 PRO 36 -0.087 -4.376 3.647
292 HB3 PRO 36 HB3 PRO 36 -0.248 -6.135 3.481
293 HG2 PRO 36 HG2 PRO 36 -2.131 -3.986 2.725
294 HG3 PRO 36 HG3 PRO 36 -1.874 -5.577 1.994
295 HD2 PRO 36 HD2 PRO 36 -3.968 -4.878 3.700
296 HD3 PRO 36 HD3 PRO 36 -3.476 -6.531 3.280
297 H VAL 37 H VAL 37 0.743 -3.769 5.617
298 HA VAL 37 HA VAL 37 -0.940 -1.673 6.955
299 HB VAL 37 HB VAL 37 1.980 -2.351 7.421
300 HG11 VAL 37 HG11 VAL 37 1.579 -1.077 9.530
301 HG12 VAL 37 HG12 VAL 37 -0.048 -0.701 8.960
302 HG13 VAL 37 HG13 VAL 37 1.358 -0.086 8.088
303 HG21 VAL 37 HG21 VAL 37 1.366 -4.019 8.822
304 HG22 VAL 37 HG22 VAL 37 -0.232 -3.927 8.080
305 HG23 VAL 37 HG23 VAL 37 0.108 -3.025 9.558
306 H LEU 38 H LEU 38 0.127 0.556 6.780
307 HA LEU 38 HA LEU 38 2.087 1.081 4.722
308 HB2 LEU 38 HB2 LEU 38 -0.071 0.211 3.555
309 HB3 LEU 38 HB3 LEU 38 -0.743 1.793 3.954
310 HG LEU 38 HG LEU 38 1.953 1.696 2.665
311 HD11 LEU 38 HD11 LEU 38 0.804 0.195 1.206
312 HD12 LEU 38 HD12 LEU 38 0.716 1.774 0.426
313 HD13 LEU 38 HD13 LEU 38 -0.684 1.138 1.291
314 HD21 LEU 38 HD21 LEU 38 0.118 3.666 3.422
315 HD22 LEU 38 HD22 LEU 38 -0.053 3.565 1.669
316 HD23 LEU 38 HD23 LEU 38 1.525 3.899 2.383
317 H GLY 39 H GLY 39 2.451 3.396 4.477
318 HA2 GLY 39 HA2 GLY 39 0.867 5.472 5.526
319 HA3 GLY 39 HA3 GLY 39 1.906 4.930 6.846
320 H GLN 40 H GLN 40 4.301 4.748 6.227
321 HA GLN 40 HA GLN 40 5.164 7.284 5.082
322 HB2 GLN 40 HB2 GLN 40 6.647 4.795 5.994
323 HB3 GLN 40 HB3 GLN 40 7.393 6.361 5.680
324 HG2 GLN 40 HG2 GLN 40 5.652 7.279 7.382
325 HG3 GLN 40 HG3 GLN 40 5.484 5.595 7.879
326 HE21 GLN 40 HE21 GLN 40 8.148 7.944 7.189
327 HE22 GLN 40 HE22 GLN 40 9.130 7.422 8.471
328 H HIS 41 H HIS 41 7.236 6.957 3.500
329 HA HIS 41 HA HIS 41 6.909 4.810 1.527
330 HB2 HIS 41 HB2 HIS 41 5.401 7.234 1.366
331 HB3 HIS 41 HB3 HIS 41 6.587 7.248 0.060
332 HD1 HIS 41 HD1 HIS 41 6.721 4.675 -1.157
333 HD2 HIS 41 HD2 HIS 41 3.133 5.883 0.589
334 HE1 HIS 41 HE1 HIS 41 4.907 3.227 -2.171
335 H ASP 42 H ASP 42 8.821 4.569 0.372
336 HA ASP 42 HA ASP 42 11.087 6.293 1.091
337 HB2 ASP 42 HB2 ASP 42 10.834 3.931 -0.801
338 HB3 ASP 42 HB3 ASP 42 12.333 4.571 -0.127
339 H VAL 43 H VAL 43 12.610 6.783 -0.932
340 HA VAL 43 HA VAL 43 10.912 8.211 -2.945
341 HB VAL 43 HB VAL 43 13.731 8.618 -1.899
342 HG11 VAL 43 HG11 VAL 43 12.825 9.259 -4.439
343 HG12 VAL 43 HG12 VAL 43 14.165 10.045 -3.602
344 HG13 VAL 43 HG13 VAL 43 12.548 10.747 -3.532
345 HG21 VAL 43 HG21 VAL 43 12.000 9.343 -0.347
346 HG22 VAL 43 HG22 VAL 43 11.150 10.192 -1.639
347 HG23 VAL 43 HG23 VAL 43 12.723 10.769 -1.091
348 H ILE 44 H ILE 44 10.839 7.182 -4.903
349 HA ILE 44 HA ILE 44 12.447 4.993 -5.706
350 HB ILE 44 HB ILE 44 11.466 5.470 -7.915
351 HG12 ILE 44 HG12 ILE 44 9.926 7.784 -7.403
352 HG13 ILE 44 HG13 ILE 44 11.569 8.174 -6.892
353 HG21 ILE 44 HG21 ILE 44 9.998 5.343 -5.424
354 HG22 ILE 44 HG22 ILE 44 9.611 4.603 -6.977
355 HG23 ILE 44 HG23 ILE 44 9.080 6.248 -6.628
356 HD11 ILE 44 HD11 ILE 44 11.438 6.699 -9.435
357 HD12 ILE 44 HD12 ILE 44 12.362 8.142 -9.018
358 HD13 ILE 44 HD13 ILE 44 10.670 8.286 -9.491
359 H SER 45 H SER 45 14.480 4.885 -6.621
360 HA SER 45 HA SER 45 16.575 5.618 -7.436
361 HB2 SER 45 HB2 SER 45 14.433 7.218 -8.684
362 HB3 SER 45 HB3 SER 45 16.024 7.972 -8.749
363 HG SER 45 HG SER 45 15.708 5.248 -9.379
364 H ASP 46 H ASP 46 18.021 7.741 -7.437
365 HA ASP 46 HA ASP 46 19.090 9.367 -6.095
366 HB2 ASP 46 HB2 ASP 46 16.130 9.849 -5.714
367 HB3 ASP 46 HB3 ASP 46 17.338 10.904 -4.978
368 HA PRO 47 HA PRO 47 18.236 6.663 -2.345
369 HB2 PRO 47 HB2 PRO 47 20.602 5.286 -2.379
370 HB3 PRO 47 HB3 PRO 47 19.147 4.730 -3.232
371 HG2 PRO 47 HG2 PRO 47 21.548 6.130 -4.299
372 HG3 PRO 47 HG3 PRO 47 20.591 4.824 -5.016
373 HD2 PRO 47 HD2 PRO 47 20.359 7.437 -5.758
374 HD3 PRO 47 HD3 PRO 47 19.030 6.262 -5.876
Start of MODEL 20
1 H LEU 1 H LEU 1 -10.697 -2.401 2.958
2 HA LEU 1 HA LEU 1 -7.741 -2.055 3.045
3 HB2 LEU 1 HB2 LEU 1 -9.827 -2.832 1.010
4 HB3 LEU 1 HB3 LEU 1 -8.295 -2.126 0.494
5 HG LEU 1 HG LEU 1 -8.378 -4.469 2.394
6 HD11 LEU 1 HD11 LEU 1 -9.628 -5.100 0.357
7 HD12 LEU 1 HD12 LEU 1 -8.080 -5.942 0.438
8 HD13 LEU 1 HD13 LEU 1 -8.276 -4.559 -0.638
9 HD21 LEU 1 HD21 LEU 1 -6.294 -3.659 0.352
10 HD22 LEU 1 HD22 LEU 1 -6.102 -4.762 1.715
11 HD23 LEU 1 HD23 LEU 1 -6.297 -3.033 2.001
12 HA PRO 2 HA PRO 2 -9.582 2.125 2.982
13 HB2 PRO 2 HB2 PRO 2 -7.452 3.329 4.206
14 HB3 PRO 2 HB3 PRO 2 -8.757 2.527 5.102
15 HG2 PRO 2 HG2 PRO 2 -6.027 1.544 4.450
16 HG3 PRO 2 HG3 PRO 2 -6.988 1.318 5.919
17 HD2 PRO 2 HD2 PRO 2 -6.694 -0.592 3.984
18 HD3 PRO 2 HD3 PRO 2 -8.097 -0.490 5.069
19 H GLU 3 H GLU 3 -8.654 4.156 1.969
20 HA GLU 3 HA GLU 3 -7.592 3.762 -0.589
21 HB2 GLU 3 HB2 GLU 3 -7.526 6.054 1.378
22 HB3 GLU 3 HB3 GLU 3 -6.884 6.230 -0.255
23 HG2 GLU 3 HG2 GLU 3 -8.949 6.275 -1.189
24 HG3 GLU 3 HG3 GLU 3 -9.539 4.969 -0.158
25 H GLU 4 H GLU 4 -5.882 3.979 2.482
26 HA GLU 4 HA GLU 4 -3.257 4.542 1.572
27 HB2 GLU 4 HB2 GLU 4 -4.285 2.804 3.833
28 HB3 GLU 4 HB3 GLU 4 -2.625 3.388 3.701
29 HG2 GLU 4 HG2 GLU 4 -3.193 5.543 4.244
30 HG3 GLU 4 HG3 GLU 4 -4.774 5.433 3.467
31 H LEU 5 H LEU 5 -4.751 1.348 2.158
32 HA LEU 5 HA LEU 5 -2.519 -0.117 1.027
33 HB2 LEU 5 HB2 LEU 5 -5.372 -0.763 1.800
34 HB3 LEU 5 HB3 LEU 5 -4.259 -1.990 1.190
35 HG LEU 5 HG LEU 5 -3.843 -0.257 3.644
36 HD11 LEU 5 HD11 LEU 5 -4.798 -3.036 3.155
37 HD12 LEU 5 HD12 LEU 5 -5.217 -1.914 4.450
38 HD13 LEU 5 HD13 LEU 5 -3.695 -2.802 4.510
39 HD21 LEU 5 HD21 LEU 5 -1.666 -0.575 2.899
40 HD22 LEU 5 HD22 LEU 5 -2.057 -2.084 2.077
41 HD23 LEU 5 HD23 LEU 5 -1.894 -2.054 3.832
42 H VAL 6 H VAL 6 -5.737 0.817 -0.175
43 HA VAL 6 HA VAL 6 -5.742 -0.552 -2.641
44 HB VAL 6 HB VAL 6 -6.751 2.239 -2.000
45 HG11 VAL 6 HG11 VAL 6 -7.599 2.198 -4.082
46 HG12 VAL 6 HG12 VAL 6 -8.500 0.738 -3.673
47 HG13 VAL 6 HG13 VAL 6 -6.880 0.611 -4.358
48 HG21 VAL 6 HG21 VAL 6 -8.862 0.450 -1.787
49 HG22 VAL 6 HG22 VAL 6 -7.980 1.154 -0.432
50 HG23 VAL 6 HG23 VAL 6 -7.520 -0.430 -1.055
51 H HIS 7 H HIS 7 -4.160 2.477 -1.730
52 HA HIS 7 HA HIS 7 -3.361 3.313 -4.355
53 HB2 HIS 7 HB2 HIS 7 -3.092 4.090 -1.623
54 HB3 HIS 7 HB3 HIS 7 -1.475 4.070 -2.327
55 HD1 HIS 7 HD1 HIS 7 -0.859 6.034 -3.752
56 HD2 HIS 7 HD2 HIS 7 -4.988 5.706 -3.270
57 HE1 HIS 7 HE1 HIS 7 -1.873 8.083 -4.845
58 H ALA 8 H ALA 8 -1.791 1.252 -1.907
59 HA ALA 8 HA ALA 8 0.718 0.945 -3.259
60 HB1 ALA 8 HB1 ALA 8 0.067 -1.390 -1.774
61 HB2 ALA 8 HB2 ALA 8 -0.695 -0.030 -0.949
62 HB3 ALA 8 HB3 ALA 8 1.044 -0.021 -1.244
63 H GLY 9 H GLY 9 -2.371 -0.747 -3.536
64 HA2 GLY 9 HA2 GLY 9 -2.857 -1.692 -5.808
65 HA3 GLY 9 HA3 GLY 9 -1.203 -2.305 -5.807
66 H TRP 10 H TRP 10 -3.131 -2.420 -2.889
67 HA TRP 10 HA TRP 10 -2.910 -5.365 -2.883
68 HB2 TRP 10 HB2 TRP 10 -3.772 -3.208 -0.950
69 HB3 TRP 10 HB3 TRP 10 -3.988 -4.917 -0.570
70 HD1 TRP 10 HD1 TRP 10 -1.384 -2.214 -0.820
71 HE1 TRP 10 HE1 TRP 10 0.904 -3.146 -0.078
72 HE3 TRP 10 HE3 TRP 10 -2.512 -7.188 -0.521
73 HZ2 TRP 10 HZ2 TRP 10 2.096 -5.668 0.556
74 HZ3 TRP 10 HZ3 TRP 10 -0.783 -8.829 0.153
75 HH2 TRP 10 HH2 TRP 10 1.517 -8.077 0.693
76 H GLU 11 H GLU 11 -4.865 -6.681 -2.349
77 HA GLU 11 HA GLU 11 -7.518 -5.524 -2.819
78 HB2 GLU 11 HB2 GLU 11 -7.816 -7.024 -4.876
79 HB3 GLU 11 HB3 GLU 11 -6.776 -5.617 -5.093
80 HG2 GLU 11 HG2 GLU 11 -4.898 -6.882 -5.349
81 HG3 GLU 11 HG3 GLU 11 -5.398 -8.049 -4.125
82 H LYS 12 H LYS 12 -8.867 -6.717 -1.538
83 HA LYS 12 HA LYS 12 -8.006 -9.241 -0.361
84 HB2 LYS 12 HB2 LYS 12 -9.608 -7.209 0.395
85 HB3 LYS 12 HB3 LYS 12 -10.835 -8.303 -0.244
86 HG2 LYS 12 HG2 LYS 12 -9.521 -10.104 1.178
87 HG3 LYS 12 HG3 LYS 12 -8.978 -8.688 2.079
88 HD2 LYS 12 HD2 LYS 12 -11.000 -8.412 3.052
89 HD3 LYS 12 HD3 LYS 12 -11.849 -8.619 1.519
90 HE2 LYS 12 HE2 LYS 12 -10.633 -11.092 2.628
91 HE3 LYS 12 HE3 LYS 12 -12.005 -10.432 3.541
92 HZ1 LYS 12 HZ1 LYS 12 -12.929 -11.766 1.838
93 HZ2 LYS 12 HZ2 LYS 12 -11.908 -11.108 0.654
94 HZ3 LYS 12 HZ3 LYS 12 -13.140 -10.157 1.336
95 H CYS 13 H CYS 13 -8.245 -11.200 -1.362
96 HA CYS 13 HA CYS 13 -10.627 -11.619 -3.123
97 HB2 CYS 13 HB2 CYS 13 -7.754 -12.362 -3.760
98 HB3 CYS 13 HB3 CYS 13 -9.152 -12.622 -4.804
99 HG CYS 13 HG CYS 13 -7.843 -10.331 -5.383
100 H TRP 14 H TRP 14 -10.629 -14.109 -3.734
101 HA TRP 14 HA TRP 14 -10.130 -15.630 -1.200
102 HB2 TRP 14 HB2 TRP 14 -12.456 -15.465 -1.835
103 HB3 TRP 14 HB3 TRP 14 -12.088 -15.936 -3.494
104 HD1 TRP 14 HD1 TRP 14 -11.403 -18.487 -3.932
105 HE1 TRP 14 HE1 TRP 14 -11.895 -20.633 -2.591
106 HE3 TRP 14 HE3 TRP 14 -12.782 -16.436 0.533
107 HZ2 TRP 14 HZ2 TRP 14 -12.762 -21.379 0.033
108 HZ3 TRP 14 HZ3 TRP 14 -13.436 -17.884 2.435
109 HH2 TRP 14 HH2 TRP 14 -13.426 -20.351 2.192
110 H SER 15 H SER 15 -8.183 -16.724 -1.449
111 HA SER 15 HA SER 15 -7.166 -17.598 -4.021
112 HB2 SER 15 HB2 SER 15 -6.215 -17.150 -1.453
113 HB3 SER 15 HB3 SER 15 -6.119 -18.902 -1.610
114 HG SER 15 HG SER 15 -4.255 -17.701 -2.393
115 H ARG 16 H ARG 16 -7.645 -19.519 -5.050
116 HA ARG 16 HA ARG 16 -9.577 -21.369 -3.892
117 HB2 ARG 16 HB2 ARG 16 -7.904 -21.285 -6.417
118 HB3 ARG 16 HB3 ARG 16 -9.074 -22.563 -6.089
119 HG2 ARG 16 HG2 ARG 16 -10.499 -20.243 -5.547
120 HG3 ARG 16 HG3 ARG 16 -9.534 -19.808 -6.958
121 HD2 ARG 16 HD2 ARG 16 -10.766 -21.142 -8.325
122 HD3 ARG 16 HD3 ARG 16 -10.715 -22.491 -7.173
123 HE ARG 16 HE ARG 16 -12.550 -20.155 -6.786
124 HH11 ARG 16 HH11 ARG 16 -12.474 -23.328 -7.847
125 HH12 ARG 16 HH12 ARG 16 -13.718 -23.903 -6.787
126 HH21 ARG 16 HH21 ARG 16 -13.876 -20.968 -4.949
127 HH22 ARG 16 HH22 ARG 16 -14.510 -22.567 -5.146
128 H ARG 17 H ARG 17 -6.102 -21.175 -3.999
129 HA ARG 17 HA ARG 17 -5.599 -24.020 -3.603
130 HB2 ARG 17 HB2 ARG 17 -4.181 -21.632 -4.176
131 HB3 ARG 17 HB3 ARG 17 -3.494 -22.280 -2.686
132 HG2 ARG 17 HG2 ARG 17 -3.087 -24.425 -3.734
133 HG3 ARG 17 HG3 ARG 17 -3.939 -23.921 -5.193
134 HD2 ARG 17 HD2 ARG 17 -2.242 -22.230 -5.663
135 HD3 ARG 17 HD3 ARG 17 -1.417 -22.594 -4.134
136 HE ARG 17 HE ARG 17 -1.515 -25.059 -5.285
137 HH11 ARG 17 HH11 ARG 17 0.859 -23.007 -5.318
138 HH12 ARG 17 HH12 ARG 17 1.338 -23.149 -6.977
139 HH21 ARG 17 HH21 ARG 17 -1.555 -24.797 -7.947
140 HH22 ARG 17 HH22 ARG 17 -0.028 -24.163 -8.465
141 H GLU 18 H GLU 18 -5.484 -21.151 -1.486
142 HA GLU 18 HA GLU 18 -5.066 -22.759 0.924
143 HB2 GLU 18 HB2 GLU 18 -4.952 -20.023 0.032
144 HB3 GLU 18 HB3 GLU 18 -5.921 -20.115 1.502
145 HG2 GLU 18 HG2 GLU 18 -3.088 -21.103 1.103
146 HG3 GLU 18 HG3 GLU 18 -3.635 -19.828 2.194
147 H ASN 19 H ASN 19 -7.760 -21.893 -0.958
148 HA ASN 19 HA ASN 19 -10.079 -22.142 -0.608
149 HB2 ASN 19 HB2 ASN 19 -9.261 -24.344 0.199
150 HB3 ASN 19 HB3 ASN 19 -9.042 -23.658 1.806
151 HD21 ASN 19 HD21 ASN 19 -11.764 -22.903 -0.357
152 HD22 ASN 19 HD22 ASN 19 -12.959 -23.591 0.631
153 H ARG 20 H ARG 20 -8.967 -19.716 0.270
154 HA ARG 20 HA ARG 20 -10.949 -18.853 2.212
155 HB2 ARG 20 HB2 ARG 20 -9.193 -18.221 3.929
156 HB3 ARG 20 HB3 ARG 20 -9.445 -19.956 3.745
157 HG2 ARG 20 HG2 ARG 20 -7.289 -20.240 3.160
158 HG3 ARG 20 HG3 ARG 20 -7.472 -19.084 1.841
159 HD2 ARG 20 HD2 ARG 20 -6.197 -17.608 2.989
160 HD3 ARG 20 HD3 ARG 20 -7.395 -17.609 4.298
161 HE ARG 20 HE ARG 20 -5.021 -19.396 4.141
162 HH11 ARG 20 HH11 ARG 20 -7.674 -20.515 5.304
163 HH12 ARG 20 HH12 ARG 20 -7.388 -20.278 6.996
164 HH21 ARG 20 HH21 ARG 20 -4.720 -18.116 6.512
165 HH22 ARG 20 HH22 ARG 20 -5.716 -18.918 7.680
166 HA PRO 21 HA PRO 21 -9.706 -15.019 0.473
167 HB2 PRO 21 HB2 PRO 21 -10.483 -13.268 2.421
168 HB3 PRO 21 HB3 PRO 21 -11.624 -14.157 1.399
169 HG2 PRO 21 HG2 PRO 21 -10.987 -14.525 4.227
170 HG3 PRO 21 HG3 PRO 21 -12.393 -15.064 3.304
171 HD2 PRO 21 HD2 PRO 21 -10.117 -16.604 4.112
172 HD3 PRO 21 HD3 PRO 21 -11.538 -17.146 3.196
173 H TYR 22 H TYR 22 -8.334 -13.042 0.804
174 HA TYR 22 HA TYR 22 -6.522 -12.818 3.044
175 HB2 TYR 22 HB2 TYR 22 -4.534 -13.748 1.961
176 HB3 TYR 22 HB3 TYR 22 -5.804 -14.970 1.988
177 HD1 TYR 22 HD1 TYR 22 -7.431 -14.925 -0.123
178 HD2 TYR 22 HD2 TYR 22 -3.434 -13.353 -0.059
179 HE1 TYR 22 HE1 TYR 22 -7.318 -15.109 -2.593
180 HE2 TYR 22 HE2 TYR 22 -3.323 -13.538 -2.528
181 HH TYR 22 HH TYR 22 -4.328 -14.374 -4.354
182 H TYR 23 H TYR 23 -4.274 -11.931 1.323
183 HA TYR 23 HA TYR 23 -5.541 -9.596 -0.065
184 HB2 TYR 23 HB2 TYR 23 -3.217 -9.659 1.888
185 HB3 TYR 23 HB3 TYR 23 -3.698 -8.235 0.969
186 HD1 TYR 23 HD1 TYR 23 -4.784 -10.653 3.569
187 HD2 TYR 23 HD2 TYR 23 -5.632 -6.945 1.570
188 HE1 TYR 23 HE1 TYR 23 -6.506 -10.125 5.274
189 HE2 TYR 23 HE2 TYR 23 -7.353 -6.419 3.277
190 HH TYR 23 HH TYR 23 -8.781 -8.462 5.136
191 H PHE 24 H PHE 24 -4.448 -8.961 -1.961
192 HA PHE 24 HA PHE 24 -1.874 -10.324 -2.605
193 HB2 PHE 24 HB2 PHE 24 -3.604 -11.763 -3.495
194 HB3 PHE 24 HB3 PHE 24 -4.458 -10.386 -4.192
195 HD1 PHE 24 HD1 PHE 24 -3.553 -9.197 -6.154
196 HD2 PHE 24 HD2 PHE 24 -1.608 -12.668 -4.534
197 HE1 PHE 24 HE1 PHE 24 -2.201 -9.406 -8.222
198 HE2 PHE 24 HE2 PHE 24 -0.256 -12.876 -6.603
199 HZ PHE 24 HZ PHE 24 -0.553 -11.245 -8.447
200 H ASN 25 H ASN 25 -0.518 -8.670 -3.157
201 HA ASN 25 HA ASN 25 -1.580 -6.101 -4.114
202 HB2 ASN 25 HB2 ASN 25 0.537 -6.877 -2.594
203 HB3 ASN 25 HB3 ASN 25 1.326 -6.693 -4.159
204 HD21 ASN 25 HD21 ASN 25 2.239 -4.637 -4.255
205 HD22 ASN 25 HD22 ASN 25 1.483 -3.212 -3.728
206 H ARG 26 H ARG 26 -2.275 -6.195 -6.250
207 HA ARG 26 HA ARG 26 -1.152 -7.848 -8.299
208 HB2 ARG 26 HB2 ARG 26 -2.516 -6.424 -9.755
209 HB3 ARG 26 HB3 ARG 26 -3.402 -6.753 -8.265
210 HG2 ARG 26 HG2 ARG 26 -2.444 -4.566 -7.367
211 HG3 ARG 26 HG3 ARG 26 -1.915 -4.228 -9.015
212 HD2 ARG 26 HD2 ARG 26 -4.264 -4.456 -9.805
213 HD3 ARG 26 HD3 ARG 26 -4.780 -4.723 -8.127
214 HE ARG 26 HE ARG 26 -3.996 -2.454 -7.589
215 HH11 ARG 26 HH11 ARG 26 -2.007 -2.092 -9.782
216 HH12 ARG 26 HH12 ARG 26 -2.841 -1.030 -10.867
217 HH21 ARG 26 HH21 ARG 26 -5.958 -1.621 -9.469
218 HH22 ARG 26 HH22 ARG 26 -5.079 -0.762 -10.688
219 H PHE 27 H PHE 27 0.072 -5.047 -6.777
220 HA PHE 27 HA PHE 27 1.552 -3.961 -9.051
221 HB2 PHE 27 HB2 PHE 27 0.679 -3.028 -6.665
222 HB3 PHE 27 HB3 PHE 27 2.339 -3.428 -6.232
223 HD1 PHE 27 HD1 PHE 27 0.196 -1.366 -8.423
224 HD2 PHE 27 HD2 PHE 27 4.219 -2.225 -7.186
225 HE1 PHE 27 HE1 PHE 27 0.983 0.698 -9.550
226 HE2 PHE 27 HE2 PHE 27 5.006 -0.161 -8.313
227 HZ PHE 27 HZ PHE 27 3.387 1.301 -9.495
228 H THR 28 H THR 28 2.647 -5.466 -5.978
229 HA THR 28 HA THR 28 5.160 -6.298 -7.352
230 HB THR 28 HB THR 28 5.209 -4.975 -5.233
231 HG1 THR 28 HG1 THR 28 6.621 -6.430 -4.148
232 HG21 THR 28 HG21 THR 28 3.871 -5.498 -3.505
233 HG22 THR 28 HG22 THR 28 4.508 -7.142 -3.456
234 HG23 THR 28 HG23 THR 28 3.150 -6.754 -4.510
235 H ASN 29 H ASN 29 2.276 -7.604 -7.257
236 HA ASN 29 HA ASN 29 1.456 -9.812 -7.351
237 HB2 ASN 29 HB2 ASN 29 3.456 -9.985 -8.813
238 HB3 ASN 29 HB3 ASN 29 4.434 -10.389 -7.404
239 HD21 ASN 29 HD21 ASN 29 4.802 -12.609 -7.360
240 HD22 ASN 29 HD22 ASN 29 3.655 -13.795 -7.757
241 H GLN 30 H GLN 30 2.508 -8.494 -4.697
242 HA GLN 30 HA GLN 30 3.417 -10.564 -2.957
243 HB2 GLN 30 HB2 GLN 30 2.658 -7.828 -2.889
244 HB3 GLN 30 HB3 GLN 30 1.723 -8.645 -1.635
245 HG2 GLN 30 HG2 GLN 30 3.677 -9.465 -0.562
246 HG3 GLN 30 HG3 GLN 30 4.690 -9.084 -1.954
247 HE21 GLN 30 HE21 GLN 30 5.088 -8.085 0.805
248 HE22 GLN 30 HE22 GLN 30 4.967 -6.393 0.724
249 H SER 31 H SER 31 2.157 -11.694 -1.303
250 HA SER 31 HA SER 31 -0.778 -11.888 -1.733
251 HB2 SER 31 HB2 SER 31 0.795 -14.430 -1.609
252 HB3 SER 31 HB3 SER 31 -0.717 -14.094 -2.447
253 HG SER 31 HG SER 31 0.561 -13.948 -4.120
254 H LEU 32 H LEU 32 -0.972 -11.052 0.429
255 HA LEU 32 HA LEU 32 0.368 -12.523 2.631
256 HB2 LEU 32 HB2 LEU 32 -1.454 -10.094 2.596
257 HB3 LEU 32 HB3 LEU 32 -0.474 -10.636 3.958
258 HG LEU 32 HG LEU 32 0.554 -9.684 1.270
259 HD11 LEU 32 HD11 LEU 32 1.673 -7.977 2.830
260 HD12 LEU 32 HD12 LEU 32 0.545 -8.533 4.066
261 HD13 LEU 32 HD13 LEU 32 -0.064 -7.795 2.585
262 HD21 LEU 32 HD21 LEU 32 2.029 -11.411 1.987
263 HD22 LEU 32 HD22 LEU 32 1.919 -10.907 3.674
264 HD23 LEU 32 HD23 LEU 32 2.791 -9.909 2.510
265 H TRP 33 H TRP 33 -1.514 -12.166 4.617
266 HA TRP 33 HA TRP 33 -3.940 -13.682 3.740
267 HB2 TRP 33 HB2 TRP 33 -2.020 -14.289 6.012
268 HB3 TRP 33 HB3 TRP 33 -3.538 -15.139 5.746
269 HD1 TRP 33 HD1 TRP 33 -0.017 -15.335 4.926
270 HE1 TRP 33 HE1 TRP 33 0.411 -16.941 2.950
271 HE3 TRP 33 HE3 TRP 33 -4.784 -15.885 3.216
272 HZ2 TRP 33 HZ2 TRP 33 -1.090 -18.281 0.909
273 HZ3 TRP 33 HZ3 TRP 33 -5.264 -17.327 1.257
274 HH2 TRP 33 HH2 TRP 33 -3.425 -18.526 0.104
275 H GLU 34 H GLU 34 -2.776 -10.956 5.129
276 HA GLU 34 HA GLU 34 -5.276 -10.470 6.632
277 HB2 GLU 34 HB2 GLU 34 -2.953 -11.418 7.884
278 HB3 GLU 34 HB3 GLU 34 -2.945 -9.682 8.198
279 HG2 GLU 34 HG2 GLU 34 -4.794 -9.781 9.529
280 HG3 GLU 34 HG3 GLU 34 -5.573 -11.004 8.524
281 H MET 35 H MET 35 -5.737 -8.226 6.707
282 HA MET 35 HA MET 35 -4.906 -6.464 4.782
283 HB2 MET 35 HB2 MET 35 -6.110 -6.356 7.432
284 HB3 MET 35 HB3 MET 35 -5.222 -4.876 7.060
285 HG2 MET 35 HG2 MET 35 -6.534 -5.438 4.686
286 HG3 MET 35 HG3 MET 35 -7.718 -5.880 5.912
287 HE1 MET 35 HE1 MET 35 -6.995 -3.405 8.383
288 HE2 MET 35 HE2 MET 35 -8.049 -4.738 7.892
289 HE3 MET 35 HE3 MET 35 -8.643 -3.080 7.851
290 HA PRO 36 HA PRO 36 -0.634 -5.829 5.877
291 HB2 PRO 36 HB2 PRO 36 0.000 -4.322 3.689
292 HB3 PRO 36 HB3 PRO 36 -0.174 -6.086 3.627
293 HG2 PRO 36 HG2 PRO 36 -2.015 -3.973 2.689
294 HG3 PRO 36 HG3 PRO 36 -1.760 -5.610 2.071
295 HD2 PRO 36 HD2 PRO 36 -3.883 -4.775 3.681
296 HD3 PRO 36 HD3 PRO 36 -3.410 -6.457 3.370
297 H VAL 37 H VAL 37 0.755 -3.530 5.475
298 HA VAL 37 HA VAL 37 -0.907 -1.410 6.802
299 HB VAL 37 HB VAL 37 2.049 -2.025 7.105
300 HG11 VAL 37 HG11 VAL 37 1.642 -0.623 9.224
301 HG12 VAL 37 HG12 VAL 37 0.129 -0.127 8.463
302 HG13 VAL 37 HG13 VAL 37 1.669 0.247 7.690
303 HG21 VAL 37 HG21 VAL 37 1.169 -2.774 9.441
304 HG22 VAL 37 HG22 VAL 37 0.979 -3.881 8.082
305 HG23 VAL 37 HG23 VAL 37 -0.392 -2.918 8.633
306 H LEU 38 H LEU 38 0.205 0.831 6.491
307 HA LEU 38 HA LEU 38 1.785 1.144 4.028
308 HB2 LEU 38 HB2 LEU 38 -0.981 0.942 3.864
309 HB3 LEU 38 HB3 LEU 38 -0.701 2.684 3.858
310 HG LEU 38 HG LEU 38 -0.639 1.824 1.564
311 HD11 LEU 38 HD11 LEU 38 1.317 2.930 0.907
312 HD12 LEU 38 HD12 LEU 38 2.238 2.321 2.282
313 HD13 LEU 38 HD13 LEU 38 1.042 3.595 2.517
314 HD21 LEU 38 HD21 LEU 38 0.845 0.099 0.867
315 HD22 LEU 38 HD22 LEU 38 0.133 -0.498 2.366
316 HD23 LEU 38 HD23 LEU 38 1.763 0.176 2.371
317 H GLY 39 H GLY 39 2.659 3.279 3.868
318 HA2 GLY 39 HA2 GLY 39 1.942 5.650 5.018
319 HA3 GLY 39 HA3 GLY 39 2.649 4.787 6.386
320 H GLN 40 H GLN 40 4.638 3.360 4.839
321 HA GLN 40 HA GLN 40 6.628 5.524 4.601
322 HB2 GLN 40 HB2 GLN 40 6.688 2.494 4.458
323 HB3 GLN 40 HB3 GLN 40 8.130 3.499 4.324
324 HG2 GLN 40 HG2 GLN 40 6.906 4.525 6.573
325 HG3 GLN 40 HG3 GLN 40 6.557 2.802 6.703
326 HE21 GLN 40 HE21 GLN 40 8.382 4.130 8.494
327 HE22 GLN 40 HE22 GLN 40 9.938 3.511 8.211
328 H HIS 41 H HIS 41 4.583 3.687 2.521
329 HA HIS 41 HA HIS 41 4.424 3.585 0.166
330 HB2 HIS 41 HB2 HIS 41 5.928 6.119 0.791
331 HB3 HIS 41 HB3 HIS 41 5.621 5.664 -0.885
332 HD1 HIS 41 HD1 HIS 41 3.757 7.242 -1.518
333 HD2 HIS 41 HD2 HIS 41 3.005 5.288 2.086
334 HE1 HIS 41 HE1 HIS 41 1.382 7.831 -0.867
335 H ASP 42 H ASP 42 7.534 5.122 -0.207
336 HA ASP 42 HA ASP 42 8.610 2.625 -1.388
337 HB2 ASP 42 HB2 ASP 42 10.362 4.258 -2.181
338 HB3 ASP 42 HB3 ASP 42 8.725 4.675 -2.680
339 H VAL 43 H VAL 43 11.338 3.052 -1.001
340 HA VAL 43 HA VAL 43 11.908 1.836 1.471
341 HB VAL 43 HB VAL 43 14.233 2.802 0.982
342 HG11 VAL 43 HG11 VAL 43 12.657 1.364 -1.171
343 HG12 VAL 43 HG12 VAL 43 13.613 0.629 0.116
344 HG13 VAL 43 HG13 VAL 43 14.414 1.517 -1.180
345 HG21 VAL 43 HG21 VAL 43 13.038 3.728 -1.613
346 HG22 VAL 43 HG22 VAL 43 14.553 4.212 -0.850
347 HG23 VAL 43 HG23 VAL 43 13.018 4.812 -0.222
348 H ILE 44 H ILE 44 12.685 2.691 3.483
349 HA ILE 44 HA ILE 44 11.416 4.917 4.597
350 HB ILE 44 HB ILE 44 13.121 4.695 6.348
351 HG12 ILE 44 HG12 ILE 44 14.632 2.829 4.518
352 HG13 ILE 44 HG13 ILE 44 14.997 4.555 4.568
353 HG21 ILE 44 HG21 ILE 44 11.960 2.830 6.849
354 HG22 ILE 44 HG22 ILE 44 13.167 1.916 5.945
355 HG23 ILE 44 HG23 ILE 44 11.699 2.473 5.142
356 HD11 ILE 44 HD11 ILE 44 15.671 2.466 6.494
357 HD12 ILE 44 HD12 ILE 44 14.858 3.833 7.253
358 HD13 ILE 44 HD13 ILE 44 16.335 4.091 6.326
359 H SER 45 H SER 45 12.633 6.943 5.435
360 HA SER 45 HA SER 45 14.901 7.991 4.007
361 HB2 SER 45 HB2 SER 45 12.379 7.964 2.654
362 HB3 SER 45 HB3 SER 45 12.781 9.640 3.017
363 HG SER 45 HG SER 45 14.028 9.440 1.332
364 H ASP 46 H ASP 46 15.675 9.484 5.444
365 HA ASP 46 HA ASP 46 15.693 11.022 7.248
366 HB2 ASP 46 HB2 ASP 46 13.699 11.804 5.200
367 HB3 ASP 46 HB3 ASP 46 13.541 12.630 6.751
368 HA PRO 47 HA PRO 47 12.129 8.730 9.284
369 HB2 PRO 47 HB2 PRO 47 13.640 7.105 10.885
370 HB3 PRO 47 HB3 PRO 47 13.136 6.646 9.246
371 HG2 PRO 47 HG2 PRO 47 15.757 7.681 10.200
372 HG3 PRO 47 HG3 PRO 47 15.406 6.443 8.983
373 HD2 PRO 47 HD2 PRO 47 16.110 9.009 8.371
374 HD3 PRO 47 HD3 PRO 47 15.117 7.981 7.315
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