Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
458744 | 2kvh RC | 16797 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 29 H1 GLU 29 3.039 -14.735 8.685
2 H2 GLU 29 H2 GLU 29 3.428 -13.721 9.992
3 H3 GLU 29 H3 GLU 29 4.464 -13.815 8.649
4 HA GLU 29 HA GLU 29 1.840 -13.094 7.837
5 HB2 GLU 29 HB2 GLU 29 3.114 -11.623 10.123
6 HB3 GLU 29 HB3 GLU 29 2.220 -10.711 8.906
7 HG2 GLU 29 HG2 GLU 29 0.204 -11.893 9.345
8 HG3 GLU 29 HG3 GLU 29 1.048 -13.148 10.253
9 H LYS 30 H LYS 30 2.082 -11.714 6.052
10 HA LYS 30 HA LYS 30 4.879 -11.330 5.151
11 HB2 LYS 30 HB2 LYS 30 3.049 -10.368 3.209
12 HB3 LYS 30 HB3 LYS 30 3.969 -11.873 3.164
13 HG2 LYS 30 HG2 LYS 30 2.201 -13.033 4.386
14 HG3 LYS 30 HG3 LYS 30 1.294 -11.529 4.550
15 HD2 LYS 30 HD2 LYS 30 1.098 -11.376 2.094
16 HD3 LYS 30 HD3 LYS 30 1.998 -12.884 1.930
17 HE2 LYS 30 HE2 LYS 30 0.031 -13.973 2.082
18 HE3 LYS 30 HE3 LYS 30 -0.041 -13.461 3.768
19 HZ1 LYS 30 HZ1 LYS 30 -1.174 -11.459 3.104
20 HZ2 LYS 30 HZ2 LYS 30 -2.015 -12.804 2.505
21 HZ3 LYS 30 HZ3 LYS 30 -1.043 -11.879 1.463
22 HA PRO 31 HA PRO 31 5.350 -6.986 5.584
23 HB2 PRO 31 HB2 PRO 31 4.947 -6.613 2.647
24 HB3 PRO 31 HB3 PRO 31 6.270 -6.048 3.685
25 HG2 PRO 31 HG2 PRO 31 6.545 -8.138 2.033
26 HG3 PRO 31 HG3 PRO 31 7.377 -8.043 3.593
27 HD2 PRO 31 HD2 PRO 31 5.099 -9.765 2.792
28 HD3 PRO 31 HD3 PRO 31 6.300 -10.008 4.078
29 H PHE 32 H PHE 32 4.228 -4.826 4.203
30 HA PHE 32 HA PHE 32 1.359 -5.155 4.918
31 HB2 PHE 32 HB2 PHE 32 3.283 -2.885 4.886
32 HB3 PHE 32 HB3 PHE 32 1.607 -2.506 4.488
33 HD1 PHE 32 HD1 PHE 32 -0.165 -3.790 6.081
34 HD2 PHE 32 HD2 PHE 32 3.874 -2.773 7.133
35 HE1 PHE 32 HE1 PHE 32 -0.764 -3.900 8.485
36 HE2 PHE 32 HE2 PHE 32 3.275 -2.883 9.537
37 HZ PHE 32 HZ PHE 32 0.956 -3.447 10.213
38 H SER 33 H SER 33 0.326 -5.932 3.097
39 HA SER 33 HA SER 33 0.954 -4.689 0.475
40 HB2 SER 33 HB2 SER 33 -0.927 -6.526 -0.122
41 HB3 SER 33 HB3 SER 33 0.781 -6.930 0.021
42 HG SER 33 HG SER 33 -0.883 -8.179 1.289
43 H CYS 34 H CYS 34 -1.027 -4.181 -0.921
44 HA CYS 34 HA CYS 34 -2.800 -2.430 0.629
45 HB2 CYS 34 HB2 CYS 34 -1.845 -1.748 -1.578
46 HB3 CYS 34 HB3 CYS 34 -2.795 -3.020 -2.346
47 H SER 35 H SER 35 -5.228 -2.511 -0.422
48 HA SER 35 HA SER 35 -6.217 -5.188 0.346
49 HB2 SER 35 HB2 SER 35 -7.695 -2.616 -0.286
50 HB3 SER 35 HB3 SER 35 -8.450 -4.101 0.286
51 HG SER 35 HG SER 35 -7.625 -3.785 2.228
52 H LEU 36 H LEU 36 -7.072 -2.898 -2.284
53 HA LEU 36 HA LEU 36 -7.501 -5.291 -4.026
54 HB2 LEU 36 HB2 LEU 36 -9.373 -3.498 -3.472
55 HB3 LEU 36 HB3 LEU 36 -8.551 -2.573 -4.729
56 HG LEU 36 HG LEU 36 -9.662 -5.380 -5.014
57 HD11 LEU 36 HD11 LEU 36 -10.664 -2.664 -5.609
58 HD12 LEU 36 HD12 LEU 36 -11.557 -4.165 -5.367
59 HD13 LEU 36 HD13 LEU 36 -10.825 -3.817 -6.933
60 HD21 LEU 36 HD21 LEU 36 -8.129 -3.590 -6.923
61 HD22 LEU 36 HD22 LEU 36 -9.026 -5.020 -7.436
62 HD23 LEU 36 HD23 LEU 36 -7.651 -5.186 -6.343
63 H CYS 37 H CYS 37 -5.333 -5.456 -4.750
64 HA CYS 37 HA CYS 37 -4.486 -4.433 -7.090
65 HB2 CYS 37 HB2 CYS 37 -2.977 -2.442 -6.324
66 HB3 CYS 37 HB3 CYS 37 -4.690 -2.142 -6.606
67 HA PRO 38 HA PRO 38 -1.172 -6.968 -5.506
68 HB2 PRO 38 HB2 PRO 38 0.240 -7.180 -7.836
69 HB3 PRO 38 HB3 PRO 38 -1.248 -8.091 -7.516
70 HG2 PRO 38 HG2 PRO 38 -0.838 -5.651 -9.160
71 HG3 PRO 38 HG3 PRO 38 -1.914 -7.032 -9.431
72 HD2 PRO 38 HD2 PRO 38 -2.760 -4.599 -8.437
73 HD3 PRO 38 HD3 PRO 38 -3.598 -6.138 -8.141
74 H GLN 39 H GLN 39 -0.583 -4.775 -4.337
75 HA GLN 39 HA GLN 39 2.172 -4.088 -5.198
76 HB2 GLN 39 HB2 GLN 39 1.823 -1.801 -5.360
77 HB3 GLN 39 HB3 GLN 39 0.279 -2.392 -5.974
78 HG2 GLN 39 HG2 GLN 39 -0.518 -2.303 -3.518
79 HG3 GLN 39 HG3 GLN 39 0.908 -1.306 -3.230
80 HE21 GLN 39 HE21 GLN 39 -2.262 -1.374 -4.761
81 HE22 GLN 39 HE22 GLN 39 -2.281 0.260 -5.219
82 H ARG 40 H ARG 40 3.333 -2.893 -3.408
83 HA ARG 40 HA ARG 40 2.118 -3.295 -0.727
84 HB2 ARG 40 HB2 ARG 40 4.957 -4.174 -1.167
85 HB3 ARG 40 HB3 ARG 40 3.819 -4.670 0.086
86 HG2 ARG 40 HG2 ARG 40 2.472 -5.848 -1.649
87 HG3 ARG 40 HG3 ARG 40 3.694 -5.423 -2.848
88 HD2 ARG 40 HD2 ARG 40 5.395 -6.574 -1.343
89 HD3 ARG 40 HD3 ARG 40 4.028 -7.196 -0.419
90 HE ARG 40 HE ARG 40 3.520 -7.842 -3.112
91 HH11 ARG 40 HH11 ARG 40 5.877 -8.433 -0.667
92 HH12 ARG 40 HH12 ARG 40 6.304 -10.000 -1.270
93 HH21 ARG 40 HH21 ARG 40 4.063 -9.885 -3.914
94 HH22 ARG 40 HH22 ARG 40 5.276 -10.822 -3.108
95 H SER 41 H SER 41 3.142 -1.984 0.917
96 HA SER 41 HA SER 41 4.961 0.122 -0.184
97 HB2 SER 41 HB2 SER 41 3.814 1.714 1.377
98 HB3 SER 41 HB3 SER 41 2.752 1.094 0.115
99 HG SER 41 HG SER 41 2.248 -0.591 1.780
100 H ARG 42 H ARG 42 6.388 1.093 1.455
101 HA ARG 42 HA ARG 42 7.130 -0.904 3.524
102 HB2 ARG 42 HB2 ARG 42 8.652 1.590 2.728
103 HB3 ARG 42 HB3 ARG 42 9.269 0.182 3.593
104 HG2 ARG 42 HG2 ARG 42 8.683 -1.196 1.540
105 HG3 ARG 42 HG3 ARG 42 8.393 0.328 0.700
106 HD2 ARG 42 HD2 ARG 42 10.648 0.995 0.878
107 HD3 ARG 42 HD3 ARG 42 10.982 -0.166 2.163
108 HE ARG 42 HE ARG 42 10.237 -1.318 -0.449
109 HH11 ARG 42 HH11 ARG 42 12.654 -0.359 1.815
110 HH12 ARG 42 HH12 ARG 42 13.881 -1.379 1.140
111 HH21 ARG 42 HH21 ARG 42 11.826 -2.656 -1.344
112 HH22 ARG 42 HH22 ARG 42 13.412 -2.678 -0.648
113 H ASP 43 H ASP 43 5.747 2.264 3.181
114 HA ASP 43 HA ASP 43 5.439 2.392 6.128
115 HB2 ASP 43 HB2 ASP 43 7.305 3.997 4.687
116 HB3 ASP 43 HB3 ASP 43 5.981 5.048 5.192
117 H PHE 44 H PHE 44 3.479 3.318 6.723
118 HA PHE 44 HA PHE 44 1.319 3.399 4.967
119 HB2 PHE 44 HB2 PHE 44 1.517 3.746 7.611
120 HB3 PHE 44 HB3 PHE 44 1.354 5.440 7.148
121 HD1 PHE 44 HD1 PHE 44 -0.148 2.175 6.040
122 HD2 PHE 44 HD2 PHE 44 -0.825 6.242 7.247
123 HE1 PHE 44 HE1 PHE 44 -2.588 1.859 5.737
124 HE2 PHE 44 HE2 PHE 44 -3.265 5.925 6.945
125 HZ PHE 44 HZ PHE 44 -4.147 3.734 6.189
126 H SER 45 H SER 45 3.695 5.922 5.616
127 HA SER 45 HA SER 45 2.453 8.165 4.495
128 HB2 SER 45 HB2 SER 45 4.504 9.003 4.897
129 HB3 SER 45 HB3 SER 45 5.125 7.372 5.135
130 HG SER 45 HG SER 45 5.201 9.028 2.901
131 H ALA 46 H ALA 46 4.425 5.742 2.733
132 HA ALA 46 HA ALA 46 3.681 6.835 0.145
133 HB1 ALA 46 HB1 ALA 46 5.601 5.023 1.097
134 HB2 ALA 46 HB2 ALA 46 5.344 5.496 -0.582
135 HB3 ALA 46 HB3 ALA 46 4.545 4.062 0.062
136 H MET 47 H MET 47 2.570 4.134 2.159
137 HA MET 47 HA MET 47 0.841 2.905 0.270
138 HB2 MET 47 HB2 MET 47 1.497 2.182 2.700
139 HB3 MET 47 HB3 MET 47 0.093 3.138 3.176
140 HG2 MET 47 HG2 MET 47 -1.235 1.818 1.447
141 HG3 MET 47 HG3 MET 47 0.158 0.742 1.330
142 HE1 MET 47 HE1 MET 47 -3.013 -0.592 3.162
143 HE2 MET 47 HE2 MET 47 -1.643 -1.588 2.652
144 HE3 MET 47 HE3 MET 47 -2.219 -0.282 1.620
145 H THR 48 H THR 48 0.458 5.797 2.233
146 HA THR 48 HA THR 48 -2.381 6.087 1.872
147 HB THR 48 HB THR 48 -1.880 8.531 2.380
148 HG1 THR 48 HG1 THR 48 0.115 9.129 2.301
149 HG21 THR 48 HG21 THR 48 -0.683 7.686 4.677
150 HG22 THR 48 HG22 THR 48 -1.326 6.164 4.062
151 HG23 THR 48 HG23 THR 48 -2.409 7.524 4.354
152 H LYS 49 H LYS 49 0.373 7.656 0.184
153 HA LYS 49 HA LYS 49 -1.115 9.075 -1.737
154 HB2 LYS 49 HB2 LYS 49 1.528 7.634 -2.137
155 HB3 LYS 49 HB3 LYS 49 0.884 8.894 -3.190
156 HG2 LYS 49 HG2 LYS 49 0.819 10.418 -1.170
157 HG3 LYS 49 HG3 LYS 49 1.708 9.174 -0.289
158 HD2 LYS 49 HD2 LYS 49 3.606 10.060 -1.117
159 HD3 LYS 49 HD3 LYS 49 3.101 9.486 -2.706
160 HE2 LYS 49 HE2 LYS 49 3.454 11.811 -3.006
161 HE3 LYS 49 HE3 LYS 49 1.705 11.648 -2.846
162 HZ1 LYS 49 HZ1 LYS 49 1.698 12.666 -0.855
163 HZ2 LYS 49 HZ2 LYS 49 3.148 13.348 -1.411
164 HZ3 LYS 49 HZ3 LYS 49 3.187 12.004 -0.373
165 H HIS 50 H HIS 50 -0.072 5.697 -1.710
166 HA HIS 50 HA HIS 50 -0.869 4.905 -4.280
167 HB2 HIS 50 HB2 HIS 50 0.156 3.176 -3.135
168 HB3 HIS 50 HB3 HIS 50 -0.674 3.547 -1.624
169 HD1 HIS 50 HD1 HIS 50 -2.849 3.343 -4.593
170 HD2 HIS 50 HD2 HIS 50 -1.519 0.735 -1.627
171 HE1 HIS 50 HE1 HIS 50 -4.376 1.334 -4.674
172 H LEU 51 H LEU 51 -2.855 5.245 -1.330
173 HA LEU 51 HA LEU 51 -5.277 4.336 -2.635
174 HB2 LEU 51 HB2 LEU 51 -5.548 6.216 -0.364
175 HB3 LEU 51 HB3 LEU 51 -6.263 4.621 -0.598
176 HG LEU 51 HG LEU 51 -3.375 5.152 0.162
177 HD11 LEU 51 HD11 LEU 51 -5.046 5.632 1.959
178 HD12 LEU 51 HD12 LEU 51 -3.997 4.267 2.346
179 HD13 LEU 51 HD13 LEU 51 -5.648 3.982 1.793
180 HD21 LEU 51 HD21 LEU 51 -3.147 2.769 0.316
181 HD22 LEU 51 HD22 LEU 51 -3.903 3.087 -1.246
182 HD23 LEU 51 HD23 LEU 51 -4.881 2.525 0.109
183 H ARG 52 H ARG 52 -3.909 7.551 -1.909
184 HA ARG 52 HA ARG 52 -6.097 9.006 -3.109
185 HB2 ARG 52 HB2 ARG 52 -3.274 10.054 -2.986
186 HB3 ARG 52 HB3 ARG 52 -4.790 10.932 -2.775
187 HG2 ARG 52 HG2 ARG 52 -4.952 9.094 -0.752
188 HG3 ARG 52 HG3 ARG 52 -3.215 9.400 -0.805
189 HD2 ARG 52 HD2 ARG 52 -5.456 11.329 -0.259
190 HD3 ARG 52 HD3 ARG 52 -3.962 11.080 0.644
191 HE ARG 52 HE ARG 52 -4.286 12.802 -1.695
192 HH11 ARG 52 HH11 ARG 52 -2.175 10.889 0.247
193 HH12 ARG 52 HH12 ARG 52 -0.748 11.757 -0.213
194 HH21 ARG 52 HH21 ARG 52 -2.435 13.948 -2.305
195 HH22 ARG 52 HH22 ARG 52 -0.896 13.490 -1.657
196 H THR 53 H THR 53 -3.496 7.184 -4.371
197 HA THR 53 HA THR 53 -3.700 8.540 -7.018
198 HB THR 53 HB THR 53 -1.466 7.755 -5.650
199 HG1 THR 53 HG1 THR 53 -1.814 7.733 -8.465
200 HG21 THR 53 HG21 THR 53 -1.861 5.598 -7.725
201 HG22 THR 53 HG22 THR 53 -2.297 5.344 -6.036
202 HG23 THR 53 HG23 THR 53 -0.626 5.699 -6.470
203 H HIS 54 H HIS 54 -4.969 5.945 -5.320
204 HA HIS 54 HA HIS 54 -5.033 3.686 -6.829
205 HB2 HIS 54 HB2 HIS 54 -6.881 4.968 -5.070
206 HB3 HIS 54 HB3 HIS 54 -7.792 4.363 -6.453
207 HD1 HIS 54 HD1 HIS 54 -6.598 1.769 -7.147
208 HD2 HIS 54 HD2 HIS 54 -6.879 2.976 -3.167
209 HE1 HIS 54 HE1 HIS 54 -6.490 -0.341 -5.750
210 H GLY 55 H GLY 55 -7.619 6.043 -7.522
211 HA2 GLY 55 HA2 GLY 55 -7.129 6.783 -10.114
212 HA3 GLY 55 HA3 GLY 55 -7.717 5.130 -10.301
Start of MODEL 2
1 H1 GLU 29 H1 GLU 29 2.649 -15.564 7.482
2 H2 GLU 29 H2 GLU 29 4.143 -16.329 7.753
3 H3 GLU 29 H3 GLU 29 3.645 -15.965 6.170
4 HA GLU 29 HA GLU 29 4.859 -14.257 8.176
5 HB2 GLU 29 HB2 GLU 29 4.988 -14.835 5.290
6 HB3 GLU 29 HB3 GLU 29 5.151 -13.124 5.684
7 HG2 GLU 29 HG2 GLU 29 7.071 -13.470 6.984
8 HG3 GLU 29 HG3 GLU 29 6.713 -15.180 7.227
9 H LYS 30 H LYS 30 4.494 -11.885 8.015
10 HA LYS 30 HA LYS 30 1.638 -11.283 7.354
11 HB2 LYS 30 HB2 LYS 30 2.497 -11.177 9.818
12 HB3 LYS 30 HB3 LYS 30 3.274 -9.679 9.306
13 HG2 LYS 30 HG2 LYS 30 0.953 -9.038 8.353
14 HG3 LYS 30 HG3 LYS 30 0.333 -10.338 9.370
15 HD2 LYS 30 HD2 LYS 30 1.024 -9.277 11.360
16 HD3 LYS 30 HD3 LYS 30 2.146 -8.215 10.507
17 HE2 LYS 30 HE2 LYS 30 -0.014 -7.115 11.280
18 HE3 LYS 30 HE3 LYS 30 0.356 -6.931 9.565
19 HZ1 LYS 30 HZ1 LYS 30 -1.870 -7.575 9.635
20 HZ2 LYS 30 HZ2 LYS 30 -1.605 -8.742 10.837
21 HZ3 LYS 30 HZ3 LYS 30 -1.041 -9.009 9.255
22 HA PRO 31 HA PRO 31 4.138 -8.652 4.556
23 HB2 PRO 31 HB2 PRO 31 2.446 -8.821 2.432
24 HB3 PRO 31 HB3 PRO 31 3.646 -10.073 2.805
25 HG2 PRO 31 HG2 PRO 31 0.718 -10.054 3.282
26 HG3 PRO 31 HG3 PRO 31 1.788 -11.398 2.849
27 HD2 PRO 31 HD2 PRO 31 0.839 -10.889 5.418
28 HD3 PRO 31 HD3 PRO 31 2.269 -11.873 5.040
29 H PHE 32 H PHE 32 2.747 -7.001 2.769
30 HA PHE 32 HA PHE 32 0.630 -5.608 4.274
31 HB2 PHE 32 HB2 PHE 32 2.296 -3.487 3.620
32 HB3 PHE 32 HB3 PHE 32 2.087 -4.166 5.235
33 HD1 PHE 32 HD1 PHE 32 4.079 -4.553 2.094
34 HD2 PHE 32 HD2 PHE 32 3.882 -5.230 6.332
35 HE1 PHE 32 HE1 PHE 32 6.440 -5.313 2.083
36 HE2 PHE 32 HE2 PHE 32 6.242 -5.990 6.321
37 HZ PHE 32 HZ PHE 32 7.521 -6.031 4.196
38 H SER 33 H SER 33 -0.286 -6.557 2.167
39 HA SER 33 HA SER 33 0.277 -4.726 -0.129
40 HB2 SER 33 HB2 SER 33 -1.373 -7.024 -0.782
41 HB3 SER 33 HB3 SER 33 0.166 -6.528 -1.478
42 HG SER 33 HG SER 33 1.229 -7.628 0.113
43 H CYS 34 H CYS 34 -1.579 -3.906 -1.309
44 HA CYS 34 HA CYS 34 -3.812 -3.251 0.457
45 HB2 CYS 34 HB2 CYS 34 -2.892 -1.608 -1.160
46 HB3 CYS 34 HB3 CYS 34 -3.414 -2.643 -2.488
47 H SER 35 H SER 35 -6.091 -3.342 -0.868
48 HA SER 35 HA SER 35 -6.587 -6.219 -1.203
49 HB2 SER 35 HB2 SER 35 -8.349 -5.266 -0.029
50 HB3 SER 35 HB3 SER 35 -8.278 -3.759 -0.940
51 HG SER 35 HG SER 35 -9.804 -5.908 -1.363
52 H LEU 36 H LEU 36 -8.091 -3.661 -3.145
53 HA LEU 36 HA LEU 36 -7.553 -5.285 -5.560
54 HB2 LEU 36 HB2 LEU 36 -9.833 -4.177 -4.903
55 HB3 LEU 36 HB3 LEU 36 -9.101 -2.705 -5.542
56 HG LEU 36 HG LEU 36 -9.291 -5.319 -7.066
57 HD11 LEU 36 HD11 LEU 36 -11.520 -4.561 -6.922
58 HD12 LEU 36 HD12 LEU 36 -10.949 -3.864 -8.439
59 HD13 LEU 36 HD13 LEU 36 -11.042 -2.865 -6.988
60 HD21 LEU 36 HD21 LEU 36 -8.881 -3.522 -8.959
61 HD22 LEU 36 HD22 LEU 36 -7.516 -4.151 -8.034
62 HD23 LEU 36 HD23 LEU 36 -8.202 -2.577 -7.634
63 H CYS 37 H CYS 37 -5.335 -4.839 -5.871
64 HA CYS 37 HA CYS 37 -4.469 -2.964 -7.623
65 HB2 CYS 37 HB2 CYS 37 -3.463 -1.179 -5.970
66 HB3 CYS 37 HB3 CYS 37 -5.138 -1.027 -6.500
67 HA PRO 38 HA PRO 38 -1.413 -6.076 -6.059
68 HB2 PRO 38 HB2 PRO 38 -0.373 -5.267 -8.747
69 HB3 PRO 38 HB3 PRO 38 -0.502 -6.884 -8.027
70 HG2 PRO 38 HG2 PRO 38 -2.227 -6.023 -9.876
71 HG3 PRO 38 HG3 PRO 38 -2.721 -7.090 -8.550
72 HD2 PRO 38 HD2 PRO 38 -3.319 -4.211 -8.958
73 HD3 PRO 38 HD3 PRO 38 -4.217 -5.430 -8.027
74 H GLN 39 H GLN 39 -0.820 -4.268 -4.509
75 HA GLN 39 HA GLN 39 1.811 -3.152 -5.296
76 HB2 GLN 39 HB2 GLN 39 1.284 -0.917 -4.633
77 HB3 GLN 39 HB3 GLN 39 -0.026 -1.421 -5.701
78 HG2 GLN 39 HG2 GLN 39 -1.371 -0.715 -4.006
79 HG3 GLN 39 HG3 GLN 39 -0.968 -2.270 -3.278
80 HE21 GLN 39 HE21 GLN 39 1.832 -1.598 -2.682
81 HE22 GLN 39 HE22 GLN 39 1.806 -0.459 -1.424
82 H ARG 40 H ARG 40 3.246 -3.137 -3.581
83 HA ARG 40 HA ARG 40 2.124 -3.842 -0.898
84 HB2 ARG 40 HB2 ARG 40 4.883 -4.703 -1.362
85 HB3 ARG 40 HB3 ARG 40 3.512 -5.623 -0.740
86 HG2 ARG 40 HG2 ARG 40 4.149 -6.641 -2.825
87 HG3 ARG 40 HG3 ARG 40 2.653 -5.755 -3.122
88 HD2 ARG 40 HD2 ARG 40 3.663 -4.419 -4.628
89 HD3 ARG 40 HD3 ARG 40 4.959 -4.034 -3.494
90 HE ARG 40 HE ARG 40 5.523 -6.616 -4.411
91 HH11 ARG 40 HH11 ARG 40 5.012 -3.469 -5.723
92 HH12 ARG 40 HH12 ARG 40 6.065 -3.716 -7.075
93 HH21 ARG 40 HH21 ARG 40 6.902 -6.957 -6.169
94 HH22 ARG 40 HH22 ARG 40 7.134 -5.691 -7.329
95 H SER 41 H SER 41 2.847 -2.582 0.783
96 HA SER 41 HA SER 41 5.255 -0.890 0.350
97 HB2 SER 41 HB2 SER 41 2.458 0.052 0.918
98 HB3 SER 41 HB3 SER 41 3.827 0.964 1.547
99 HG SER 41 HG SER 41 2.839 1.167 -0.817
100 H ARG 42 H ARG 42 6.335 -0.357 2.298
101 HA ARG 42 HA ARG 42 5.388 -1.902 4.671
102 HB2 ARG 42 HB2 ARG 42 7.763 -1.762 5.423
103 HB3 ARG 42 HB3 ARG 42 7.599 -2.572 3.865
104 HG2 ARG 42 HG2 ARG 42 8.367 -0.674 2.669
105 HG3 ARG 42 HG3 ARG 42 8.136 0.393 4.055
106 HD2 ARG 42 HD2 ARG 42 9.886 -1.669 4.907
107 HD3 ARG 42 HD3 ARG 42 10.470 -1.130 3.334
108 HE ARG 42 HE ARG 42 9.884 1.182 4.876
109 HH11 ARG 42 HH11 ARG 42 11.998 -1.541 4.798
110 HH12 ARG 42 HH12 ARG 42 13.303 -0.718 5.586
111 HH21 ARG 42 HH21 ARG 42 11.575 2.271 5.906
112 HH22 ARG 42 HH22 ARG 42 13.064 1.439 6.214
113 H ASP 43 H ASP 43 5.537 1.220 3.468
114 HA ASP 43 HA ASP 43 5.483 2.335 6.244
115 HB2 ASP 43 HB2 ASP 43 7.114 3.095 3.940
116 HB3 ASP 43 HB3 ASP 43 6.187 4.452 4.581
117 H PHE 44 H PHE 44 3.701 3.582 6.704
118 HA PHE 44 HA PHE 44 1.370 3.504 5.158
119 HB2 PHE 44 HB2 PHE 44 1.859 4.416 7.608
120 HB3 PHE 44 HB3 PHE 44 1.901 5.969 6.772
121 HD1 PHE 44 HD1 PHE 44 -0.168 2.830 6.757
122 HD2 PHE 44 HD2 PHE 44 -0.112 7.123 6.609
123 HE1 PHE 44 HE1 PHE 44 -2.647 2.860 6.686
124 HE2 PHE 44 HE2 PHE 44 -2.591 7.152 6.538
125 HZ PHE 44 HZ PHE 44 -3.858 5.021 6.577
126 H SER 45 H SER 45 3.980 5.914 5.092
127 HA SER 45 HA SER 45 2.836 7.865 3.448
128 HB2 SER 45 HB2 SER 45 5.211 7.784 4.445
129 HB3 SER 45 HB3 SER 45 5.653 6.857 3.015
130 HG SER 45 HG SER 45 4.180 9.175 2.603
131 H ALA 46 H ALA 46 4.771 5.089 2.259
132 HA ALA 46 HA ALA 46 4.049 5.454 -0.482
133 HB1 ALA 46 HB1 ALA 46 4.651 2.913 -0.572
134 HB2 ALA 46 HB2 ALA 46 5.112 3.133 1.116
135 HB3 ALA 46 HB3 ALA 46 5.916 4.066 -0.147
136 H MET 47 H MET 47 2.419 3.927 2.202
137 HA MET 47 HA MET 47 0.511 2.487 0.516
138 HB2 MET 47 HB2 MET 47 1.301 2.140 3.081
139 HB3 MET 47 HB3 MET 47 -0.165 3.085 3.348
140 HG2 MET 47 HG2 MET 47 -1.515 1.493 2.176
141 HG3 MET 47 HG3 MET 47 -0.097 0.651 1.552
142 HE1 MET 47 HE1 MET 47 -1.683 2.004 4.757
143 HE2 MET 47 HE2 MET 47 -1.901 0.555 5.748
144 HE3 MET 47 HE3 MET 47 -2.778 0.729 4.230
145 H THR 48 H THR 48 0.733 5.634 2.036
146 HA THR 48 HA THR 48 -2.080 6.275 1.869
147 HB THR 48 HB THR 48 -0.991 8.703 1.833
148 HG1 THR 48 HG1 THR 48 1.100 7.931 1.427
149 HG21 THR 48 HG21 THR 48 -0.983 8.649 4.237
150 HG22 THR 48 HG22 THR 48 -0.685 6.910 4.251
151 HG23 THR 48 HG23 THR 48 -2.238 7.534 3.698
152 H LYS 49 H LYS 49 0.709 7.277 -0.158
153 HA LYS 49 HA LYS 49 -0.748 8.631 -2.151
154 HB2 LYS 49 HB2 LYS 49 1.831 7.096 -2.146
155 HB3 LYS 49 HB3 LYS 49 1.158 7.622 -3.689
156 HG2 LYS 49 HG2 LYS 49 1.128 9.936 -2.949
157 HG3 LYS 49 HG3 LYS 49 1.635 9.462 -1.328
158 HD2 LYS 49 HD2 LYS 49 3.687 8.399 -2.528
159 HD3 LYS 49 HD3 LYS 49 3.230 9.433 -3.882
160 HE2 LYS 49 HE2 LYS 49 3.088 11.159 -1.726
161 HE3 LYS 49 HE3 LYS 49 4.480 10.152 -1.327
162 HZ1 LYS 49 HZ1 LYS 49 4.269 11.116 -4.073
163 HZ2 LYS 49 HZ2 LYS 49 5.644 10.884 -3.107
164 HZ3 LYS 49 HZ3 LYS 49 4.672 12.260 -2.883
165 H HIS 50 H HIS 50 -0.184 5.188 -1.673
166 HA HIS 50 HA HIS 50 -1.180 4.188 -4.116
167 HB2 HIS 50 HB2 HIS 50 -0.341 2.479 -2.810
168 HB3 HIS 50 HB3 HIS 50 -1.002 3.155 -1.321
169 HD1 HIS 50 HD1 HIS 50 -3.266 2.784 -4.253
170 HD2 HIS 50 HD2 HIS 50 -2.366 0.665 -0.777
171 HE1 HIS 50 HE1 HIS 50 -5.097 1.067 -3.968
172 H LEU 51 H LEU 51 -2.942 5.106 -1.147
173 HA LEU 51 HA LEU 51 -5.526 4.397 -2.256
174 HB2 LEU 51 HB2 LEU 51 -5.489 6.484 -0.172
175 HB3 LEU 51 HB3 LEU 51 -6.329 4.934 -0.197
176 HG LEU 51 HG LEU 51 -3.378 5.336 0.377
177 HD11 LEU 51 HD11 LEU 51 -3.955 4.646 2.649
178 HD12 LEU 51 HD12 LEU 51 -5.646 4.452 2.186
179 HD13 LEU 51 HD13 LEU 51 -4.914 6.056 2.201
180 HD21 LEU 51 HD21 LEU 51 -3.943 2.808 1.153
181 HD22 LEU 51 HD22 LEU 51 -3.350 3.199 -0.463
182 HD23 LEU 51 HD23 LEU 51 -5.076 2.962 -0.191
183 H ARG 52 H ARG 52 -3.542 7.306 -2.176
184 HA ARG 52 HA ARG 52 -5.648 8.990 -3.320
185 HB2 ARG 52 HB2 ARG 52 -3.230 9.468 -2.004
186 HB3 ARG 52 HB3 ARG 52 -2.918 9.967 -3.667
187 HG2 ARG 52 HG2 ARG 52 -4.750 11.500 -3.653
188 HG3 ARG 52 HG3 ARG 52 -5.387 10.831 -2.150
189 HD2 ARG 52 HD2 ARG 52 -3.675 11.789 -0.851
190 HD3 ARG 52 HD3 ARG 52 -2.623 12.025 -2.247
191 HE ARG 52 HE ARG 52 -3.803 14.028 -2.749
192 HH11 ARG 52 HH11 ARG 52 -5.331 12.118 -0.320
193 HH12 ARG 52 HH12 ARG 52 -6.463 13.351 0.127
194 HH21 ARG 52 HH21 ARG 52 -5.272 15.650 -2.179
195 HH22 ARG 52 HH22 ARG 52 -6.430 15.351 -0.927
196 H THR 53 H THR 53 -3.151 6.871 -4.457
197 HA THR 53 HA THR 53 -3.300 7.950 -7.212
198 HB THR 53 HB THR 53 -1.191 6.932 -5.887
199 HG1 THR 53 HG1 THR 53 -1.417 6.164 -8.561
200 HG21 THR 53 HG21 THR 53 -2.539 4.708 -5.799
201 HG22 THR 53 HG22 THR 53 -0.836 4.639 -6.249
202 HG23 THR 53 HG23 THR 53 -2.081 4.547 -7.494
203 H HIS 54 H HIS 54 -4.902 5.710 -5.262
204 HA HIS 54 HA HIS 54 -5.485 3.435 -6.603
205 HB2 HIS 54 HB2 HIS 54 -6.961 5.163 -4.864
206 HB3 HIS 54 HB3 HIS 54 -8.047 4.612 -6.139
207 HD1 HIS 54 HD1 HIS 54 -7.162 1.794 -6.647
208 HD2 HIS 54 HD2 HIS 54 -7.348 3.370 -2.793
209 HE1 HIS 54 HE1 HIS 54 -7.372 -0.181 -5.076
210 H GLY 55 H GLY 55 -7.805 6.020 -7.316
211 HA2 GLY 55 HA2 GLY 55 -7.602 5.244 -10.196
212 HA3 GLY 55 HA3 GLY 55 -9.074 5.850 -9.438
Start of MODEL 3
1 H1 GLU 29 H1 GLU 29 4.091 -2.569 8.985
2 H2 GLU 29 H2 GLU 29 3.816 -4.164 8.470
3 H3 GLU 29 H3 GLU 29 3.984 -2.916 7.328
4 HA GLU 29 HA GLU 29 6.250 -2.737 7.621
5 HB2 GLU 29 HB2 GLU 29 7.417 -3.413 9.585
6 HB3 GLU 29 HB3 GLU 29 5.935 -2.653 10.165
7 HG2 GLU 29 HG2 GLU 29 4.888 -4.944 10.259
8 HG3 GLU 29 HG3 GLU 29 6.476 -5.622 9.894
9 H LYS 30 H LYS 30 4.326 -5.612 8.208
10 HA LYS 30 HA LYS 30 6.415 -7.345 7.026
11 HB2 LYS 30 HB2 LYS 30 4.390 -9.046 7.379
12 HB3 LYS 30 HB3 LYS 30 5.412 -8.550 8.728
13 HG2 LYS 30 HG2 LYS 30 3.781 -7.226 9.658
14 HG3 LYS 30 HG3 LYS 30 3.080 -6.809 8.094
15 HD2 LYS 30 HD2 LYS 30 2.121 -9.074 7.913
16 HD3 LYS 30 HD3 LYS 30 2.821 -9.496 9.477
17 HE2 LYS 30 HE2 LYS 30 1.197 -8.409 10.623
18 HE3 LYS 30 HE3 LYS 30 1.250 -7.017 9.540
19 HZ1 LYS 30 HZ1 LYS 30 -0.656 -7.753 8.711
20 HZ2 LYS 30 HZ2 LYS 30 -0.548 -9.223 9.550
21 HZ3 LYS 30 HZ3 LYS 30 0.201 -9.055 8.035
22 HA PRO 31 HA PRO 31 5.068 -7.499 2.849
23 HB2 PRO 31 HB2 PRO 31 4.378 -10.376 3.296
24 HB3 PRO 31 HB3 PRO 31 5.370 -9.639 2.022
25 HG2 PRO 31 HG2 PRO 31 6.449 -10.936 4.104
26 HG3 PRO 31 HG3 PRO 31 7.234 -9.544 3.339
27 HD2 PRO 31 HD2 PRO 31 5.925 -9.724 5.991
28 HD3 PRO 31 HD3 PRO 31 7.148 -8.573 5.410
29 H PHE 32 H PHE 32 3.136 -6.544 2.327
30 HA PHE 32 HA PHE 32 0.641 -8.067 2.808
31 HB2 PHE 32 HB2 PHE 32 1.331 -6.124 4.603
32 HB3 PHE 32 HB3 PHE 32 0.404 -5.188 3.430
33 HD1 PHE 32 HD1 PHE 32 -1.710 -6.771 2.490
34 HD2 PHE 32 HD2 PHE 32 0.041 -6.815 6.412
35 HE1 PHE 32 HE1 PHE 32 -3.819 -7.686 3.421
36 HE2 PHE 32 HE2 PHE 32 -2.067 -7.729 7.344
37 HZ PHE 32 HZ PHE 32 -3.997 -8.164 5.848
38 H SER 33 H SER 33 -0.723 -7.866 1.076
39 HA SER 33 HA SER 33 0.041 -5.886 -1.019
40 HB2 SER 33 HB2 SER 33 -1.752 -7.483 -2.260
41 HB3 SER 33 HB3 SER 33 -0.033 -7.863 -2.178
42 HG SER 33 HG SER 33 -1.037 -8.719 0.064
43 H CYS 34 H CYS 34 -1.659 -4.634 -2.041
44 HA CYS 34 HA CYS 34 -3.681 -3.728 -0.169
45 HB2 CYS 34 HB2 CYS 34 -2.641 -2.195 -1.799
46 HB3 CYS 34 HB3 CYS 34 -3.349 -3.122 -3.123
47 H SER 35 H SER 35 -6.036 -3.447 -1.249
48 HA SER 35 HA SER 35 -7.021 -6.181 -1.584
49 HB2 SER 35 HB2 SER 35 -8.286 -3.469 -1.323
50 HB3 SER 35 HB3 SER 35 -9.249 -4.826 -1.901
51 HG SER 35 HG SER 35 -9.100 -4.389 0.480
52 H LEU 36 H LEU 36 -7.919 -3.303 -3.505
53 HA LEU 36 HA LEU 36 -7.864 -5.057 -5.916
54 HB2 LEU 36 HB2 LEU 36 -10.004 -3.919 -5.440
55 HB3 LEU 36 HB3 LEU 36 -9.184 -2.358 -5.489
56 HG LEU 36 HG LEU 36 -8.518 -2.792 -7.835
57 HD11 LEU 36 HD11 LEU 36 -9.893 -5.394 -7.244
58 HD12 LEU 36 HD12 LEU 36 -8.380 -5.104 -8.103
59 HD13 LEU 36 HD13 LEU 36 -9.922 -4.758 -8.888
60 HD21 LEU 36 HD21 LEU 36 -10.825 -1.803 -7.049
61 HD22 LEU 36 HD22 LEU 36 -11.477 -3.309 -7.697
62 HD23 LEU 36 HD23 LEU 36 -10.590 -2.206 -8.749
63 H CYS 37 H CYS 37 -5.629 -4.915 -6.381
64 HA CYS 37 HA CYS 37 -4.647 -3.156 -8.194
65 HB2 CYS 37 HB2 CYS 37 -3.281 -1.555 -6.600
66 HB3 CYS 37 HB3 CYS 37 -4.941 -1.155 -7.039
67 HA PRO 38 HA PRO 38 -1.850 -6.605 -7.011
68 HB2 PRO 38 HB2 PRO 38 -0.801 -5.754 -9.677
69 HB3 PRO 38 HB3 PRO 38 -1.147 -7.384 -9.067
70 HG2 PRO 38 HG2 PRO 38 -2.767 -6.152 -10.796
71 HG3 PRO 38 HG3 PRO 38 -3.382 -7.233 -9.534
72 HD2 PRO 38 HD2 PRO 38 -3.540 -4.267 -9.704
73 HD3 PRO 38 HD3 PRO 38 -4.620 -5.412 -8.876
74 H GLN 39 H GLN 39 -0.970 -5.006 -5.376
75 HA GLN 39 HA GLN 39 1.763 -4.232 -6.153
76 HB2 GLN 39 HB2 GLN 39 1.577 -1.927 -5.628
77 HB3 GLN 39 HB3 GLN 39 0.163 -2.264 -6.628
78 HG2 GLN 39 HG2 GLN 39 -1.154 -2.637 -4.514
79 HG3 GLN 39 HG3 GLN 39 0.251 -2.077 -3.606
80 HE21 GLN 39 HE21 GLN 39 0.353 -0.379 -6.459
81 HE22 GLN 39 HE22 GLN 39 -0.512 1.007 -5.994
82 H ARG 40 H ARG 40 3.153 -4.256 -4.378
83 HA ARG 40 HA ARG 40 1.880 -4.953 -1.761
84 HB2 ARG 40 HB2 ARG 40 4.235 -5.988 -1.345
85 HB3 ARG 40 HB3 ARG 40 3.113 -6.854 -2.395
86 HG2 ARG 40 HG2 ARG 40 4.789 -4.838 -3.760
87 HG3 ARG 40 HG3 ARG 40 5.670 -6.219 -3.104
88 HD2 ARG 40 HD2 ARG 40 4.047 -7.739 -4.255
89 HD3 ARG 40 HD3 ARG 40 3.310 -6.322 -5.003
90 HE ARG 40 HE ARG 40 5.983 -6.082 -5.667
91 HH11 ARG 40 HH11 ARG 40 3.578 -8.543 -5.889
92 HH12 ARG 40 HH12 ARG 40 4.243 -9.250 -7.323
93 HH21 ARG 40 HH21 ARG 40 6.866 -6.991 -7.539
94 HH22 ARG 40 HH22 ARG 40 6.105 -8.372 -8.257
95 H SER 41 H SER 41 2.546 -3.805 0.056
96 HA SER 41 HA SER 41 4.591 -1.670 -0.416
97 HB2 SER 41 HB2 SER 41 3.112 -0.592 1.562
98 HB3 SER 41 HB3 SER 41 2.746 -0.330 -0.141
99 HG SER 41 HG SER 41 1.716 -2.663 0.832
100 H ARG 42 H ARG 42 5.449 -0.853 1.814
101 HA ARG 42 HA ARG 42 5.889 -3.249 3.552
102 HB2 ARG 42 HB2 ARG 42 8.013 -1.710 4.150
103 HB3 ARG 42 HB3 ARG 42 8.034 -2.860 2.813
104 HG2 ARG 42 HG2 ARG 42 7.812 -1.207 1.202
105 HG3 ARG 42 HG3 ARG 42 6.994 -0.098 2.305
106 HD2 ARG 42 HD2 ARG 42 8.952 0.757 3.102
107 HD3 ARG 42 HD3 ARG 42 9.763 -0.809 3.068
108 HE ARG 42 HE ARG 42 10.545 -0.293 0.899
109 HH11 ARG 42 HH11 ARG 42 7.946 1.748 1.878
110 HH12 ARG 42 HH12 ARG 42 8.078 2.798 0.507
111 HH21 ARG 42 HH21 ARG 42 10.733 1.067 -0.898
112 HH22 ARG 42 HH22 ARG 42 9.657 2.413 -1.063
113 H ASP 43 H ASP 43 6.289 0.304 3.837
114 HA ASP 43 HA ASP 43 5.218 0.113 6.598
115 HB2 ASP 43 HB2 ASP 43 7.348 1.482 5.702
116 HB3 ASP 43 HB3 ASP 43 6.112 2.715 5.451
117 H PHE 44 H PHE 44 3.902 2.316 7.119
118 HA PHE 44 HA PHE 44 1.492 2.125 5.477
119 HB2 PHE 44 HB2 PHE 44 1.804 2.610 8.085
120 HB3 PHE 44 HB3 PHE 44 1.824 4.281 7.520
121 HD1 PHE 44 HD1 PHE 44 -0.081 1.142 6.709
122 HD2 PHE 44 HD2 PHE 44 -0.239 5.349 7.559
123 HE1 PHE 44 HE1 PHE 44 -2.550 1.096 6.480
124 HE2 PHE 44 HE2 PHE 44 -2.707 5.304 7.330
125 HZ PHE 44 HZ PHE 44 -3.863 3.177 6.790
126 H SER 45 H SER 45 4.078 4.497 5.994
127 HA SER 45 HA SER 45 3.022 6.725 4.673
128 HB2 SER 45 HB2 SER 45 5.263 6.683 5.739
129 HB3 SER 45 HB3 SER 45 5.856 5.662 4.432
130 HG SER 45 HG SER 45 5.986 8.172 4.407
131 H ALA 46 H ALA 46 4.769 3.979 3.183
132 HA ALA 46 HA ALA 46 4.307 4.905 0.482
133 HB1 ALA 46 HB1 ALA 46 5.002 2.578 -0.142
134 HB2 ALA 46 HB2 ALA 46 5.015 2.162 1.571
135 HB3 ALA 46 HB3 ALA 46 6.142 3.368 0.948
136 H MET 47 H MET 47 2.645 2.641 2.651
137 HA MET 47 HA MET 47 0.742 1.710 0.704
138 HB2 MET 47 HB2 MET 47 1.336 0.798 3.103
139 HB3 MET 47 HB3 MET 47 0.073 1.913 3.626
140 HG2 MET 47 HG2 MET 47 -1.495 0.864 2.009
141 HG3 MET 47 HG3 MET 47 -0.235 -0.284 1.558
142 HE1 MET 47 HE1 MET 47 -3.244 -0.682 2.730
143 HE2 MET 47 HE2 MET 47 -3.048 0.640 3.889
144 HE3 MET 47 HE3 MET 47 -3.355 -0.998 4.460
145 H THR 48 H THR 48 0.877 4.511 2.830
146 HA THR 48 HA THR 48 -1.874 5.296 2.554
147 HB THR 48 HB THR 48 -0.706 7.657 2.980
148 HG1 THR 48 HG1 THR 48 1.377 6.701 2.559
149 HG21 THR 48 HG21 THR 48 -0.356 6.614 5.459
150 HG22 THR 48 HG22 THR 48 -1.342 5.349 4.725
151 HG23 THR 48 HG23 THR 48 -1.939 7.007 4.788
152 H LYS 49 H LYS 49 1.079 6.410 0.851
153 HA LYS 49 HA LYS 49 -0.153 8.180 -0.960
154 HB2 LYS 49 HB2 LYS 49 2.151 6.286 -1.533
155 HB3 LYS 49 HB3 LYS 49 1.753 7.735 -2.455
156 HG2 LYS 49 HG2 LYS 49 2.553 7.656 0.471
157 HG3 LYS 49 HG3 LYS 49 3.564 8.213 -0.862
158 HD2 LYS 49 HD2 LYS 49 1.452 9.779 -1.325
159 HD3 LYS 49 HD3 LYS 49 1.201 9.530 0.404
160 HE2 LYS 49 HE2 LYS 49 3.702 10.138 0.659
161 HE3 LYS 49 HE3 LYS 49 3.578 10.768 -0.984
162 HZ1 LYS 49 HZ1 LYS 49 3.147 12.400 0.855
163 HZ2 LYS 49 HZ2 LYS 49 1.712 11.556 1.177
164 HZ3 LYS 49 HZ3 LYS 49 1.937 12.301 -0.333
165 H HIS 50 H HIS 50 0.249 4.671 -1.120
166 HA HIS 50 HA HIS 50 -0.745 4.172 -3.696
167 HB2 HIS 50 HB2 HIS 50 -0.032 2.223 -2.686
168 HB3 HIS 50 HB3 HIS 50 -0.714 2.663 -1.120
169 HD1 HIS 50 HD1 HIS 50 -2.940 2.961 -4.070
170 HD2 HIS 50 HD2 HIS 50 -2.144 0.133 -1.114
171 HE1 HIS 50 HE1 HIS 50 -4.834 1.292 -4.151
172 H LEU 51 H LEU 51 -2.556 4.702 -0.664
173 HA LEU 51 HA LEU 51 -5.137 4.334 -1.949
174 HB2 LEU 51 HB2 LEU 51 -5.035 6.020 0.478
175 HB3 LEU 51 HB3 LEU 51 -6.001 4.582 0.145
176 HG LEU 51 HG LEU 51 -3.051 4.595 0.850
177 HD11 LEU 51 HD11 LEU 51 -4.098 4.993 2.888
178 HD12 LEU 51 HD12 LEU 51 -4.137 3.231 2.838
179 HD13 LEU 51 HD13 LEU 51 -5.575 4.157 2.410
180 HD21 LEU 51 HD21 LEU 51 -4.891 2.207 0.689
181 HD22 LEU 51 HD22 LEU 51 -3.129 2.232 0.708
182 HD23 LEU 51 HD23 LEU 51 -4.003 2.771 -0.726
183 H ARG 52 H ARG 52 -3.119 7.135 -1.103
184 HA ARG 52 HA ARG 52 -5.047 9.087 -2.037
185 HB2 ARG 52 HB2 ARG 52 -2.938 9.387 -0.484
186 HB3 ARG 52 HB3 ARG 52 -2.087 9.605 -2.014
187 HG2 ARG 52 HG2 ARG 52 -4.089 11.253 -2.533
188 HG3 ARG 52 HG3 ARG 52 -4.222 11.306 -0.775
189 HD2 ARG 52 HD2 ARG 52 -2.033 12.168 -0.521
190 HD3 ARG 52 HD3 ARG 52 -1.572 11.713 -2.161
191 HE ARG 52 HE ARG 52 -3.677 13.527 -2.471
192 HH11 ARG 52 HH11 ARG 52 -0.577 13.418 -0.968
193 HH12 ARG 52 HH12 ARG 52 -0.265 15.108 -1.185
194 HH21 ARG 52 HH21 ARG 52 -3.288 15.733 -2.764
195 HH22 ARG 52 HH22 ARG 52 -1.800 16.419 -2.204
196 H THR 53 H THR 53 -2.871 6.932 -3.563
197 HA THR 53 HA THR 53 -2.898 8.517 -6.084
198 HB THR 53 HB THR 53 -0.825 7.196 -4.921
199 HG1 THR 53 HG1 THR 53 -1.038 7.113 -7.714
200 HG21 THR 53 HG21 THR 53 -2.208 5.043 -5.387
201 HG22 THR 53 HG22 THR 53 -0.498 5.045 -5.813
202 HG23 THR 53 HG23 THR 53 -1.719 5.275 -7.064
203 H HIS 54 H HIS 54 -4.647 6.130 -4.527
204 HA HIS 54 HA HIS 54 -5.223 4.098 -6.292
205 HB2 HIS 54 HB2 HIS 54 -6.608 5.396 -4.155
206 HB3 HIS 54 HB3 HIS 54 -7.755 5.154 -5.472
207 HD1 HIS 54 HD1 HIS 54 -6.998 2.522 -6.639
208 HD2 HIS 54 HD2 HIS 54 -6.881 3.182 -2.525
209 HE1 HIS 54 HE1 HIS 54 -7.145 0.243 -5.545
210 H GLY 55 H GLY 55 -5.680 4.091 -8.434
211 HA2 GLY 55 HA2 GLY 55 -6.152 5.047 -10.559
212 HA3 GLY 55 HA3 GLY 55 -7.735 5.241 -9.804
Start of MODEL 4
1 H1 GLU 29 H1 GLU 29 9.421 -11.162 2.136
2 H2 GLU 29 H2 GLU 29 10.469 -10.473 3.282
3 H3 GLU 29 H3 GLU 29 9.291 -9.515 2.519
4 HA GLU 29 HA GLU 29 8.610 -11.836 4.228
5 HB2 GLU 29 HB2 GLU 29 8.789 -8.899 4.971
6 HB3 GLU 29 HB3 GLU 29 8.140 -10.175 6.001
7 HG2 GLU 29 HG2 GLU 29 10.446 -11.334 5.602
8 HG3 GLU 29 HG3 GLU 29 10.983 -9.722 5.127
9 H LYS 30 H LYS 30 6.332 -11.016 5.253
10 HA LYS 30 HA LYS 30 4.704 -10.133 2.904
11 HB2 LYS 30 HB2 LYS 30 3.866 -11.877 5.241
12 HB3 LYS 30 HB3 LYS 30 2.866 -11.451 3.851
13 HG2 LYS 30 HG2 LYS 30 5.535 -12.750 3.400
14 HG3 LYS 30 HG3 LYS 30 4.155 -13.744 3.868
15 HD2 LYS 30 HD2 LYS 30 2.960 -13.236 1.922
16 HD3 LYS 30 HD3 LYS 30 3.874 -11.756 1.631
17 HE2 LYS 30 HE2 LYS 30 5.562 -14.150 1.660
18 HE3 LYS 30 HE3 LYS 30 4.335 -14.191 0.395
19 HZ1 LYS 30 HZ1 LYS 30 5.935 -13.014 -0.670
20 HZ2 LYS 30 HZ2 LYS 30 6.576 -12.352 0.754
21 HZ3 LYS 30 HZ3 LYS 30 5.144 -11.719 0.093
22 HA PRO 31 HA PRO 31 4.143 -6.885 6.106
23 HB2 PRO 31 HB2 PRO 31 4.225 -4.774 4.395
24 HB3 PRO 31 HB3 PRO 31 5.689 -5.547 5.031
25 HG2 PRO 31 HG2 PRO 31 4.423 -5.802 2.361
26 HG3 PRO 31 HG3 PRO 31 6.136 -5.813 2.809
27 HD2 PRO 31 HD2 PRO 31 4.627 -8.086 2.242
28 HD3 PRO 31 HD3 PRO 31 6.151 -8.080 3.157
29 H PHE 32 H PHE 32 2.535 -4.803 5.775
30 HA PHE 32 HA PHE 32 -0.080 -5.977 5.318
31 HB2 PHE 32 HB2 PHE 32 0.986 -3.610 6.552
32 HB3 PHE 32 HB3 PHE 32 -0.283 -3.142 5.420
33 HD1 PHE 32 HD1 PHE 32 -2.387 -4.865 5.463
34 HD2 PHE 32 HD2 PHE 32 0.303 -4.090 8.721
35 HE1 PHE 32 HE1 PHE 32 -4.109 -5.643 7.070
36 HE2 PHE 32 HE2 PHE 32 -1.419 -4.866 10.328
37 HZ PHE 32 HZ PHE 32 -3.624 -5.643 9.503
38 H SER 33 H SER 33 -1.120 -6.088 3.391
39 HA SER 33 HA SER 33 -0.108 -4.389 1.157
40 HB2 SER 33 HB2 SER 33 -2.028 -6.406 0.360
41 HB3 SER 33 HB3 SER 33 -0.353 -6.209 -0.149
42 HG SER 33 HG SER 33 0.301 -7.391 1.614
43 H CYS 34 H CYS 34 -1.941 -3.758 -0.441
44 HA CYS 34 HA CYS 34 -3.939 -2.287 1.084
45 HB2 CYS 34 HB2 CYS 34 -2.936 -1.372 -0.992
46 HB3 CYS 34 HB3 CYS 34 -3.699 -2.666 -1.916
47 H SER 35 H SER 35 -6.304 -2.406 -0.024
48 HA SER 35 HA SER 35 -7.201 -5.162 0.505
49 HB2 SER 35 HB2 SER 35 -8.741 -3.781 1.497
50 HB3 SER 35 HB3 SER 35 -8.456 -2.471 0.355
51 HG SER 35 HG SER 35 -10.492 -3.406 0.014
52 H LEU 36 H LEU 36 -8.216 -2.836 -2.027
53 HA LEU 36 HA LEU 36 -8.264 -5.150 -3.919
54 HB2 LEU 36 HB2 LEU 36 -10.451 -4.071 -3.546
55 HB3 LEU 36 HB3 LEU 36 -9.771 -2.521 -4.042
56 HG LEU 36 HG LEU 36 -9.312 -3.378 -6.270
57 HD11 LEU 36 HD11 LEU 36 -8.734 -5.616 -6.100
58 HD12 LEU 36 HD12 LEU 36 -10.396 -5.773 -6.670
59 HD13 LEU 36 HD13 LEU 36 -10.028 -5.971 -4.956
60 HD21 LEU 36 HD21 LEU 36 -11.525 -2.501 -6.069
61 HD22 LEU 36 HD22 LEU 36 -12.090 -3.930 -5.205
62 HD23 LEU 36 HD23 LEU 36 -11.705 -4.034 -6.922
63 H CYS 37 H CYS 37 -6.086 -4.987 -4.610
64 HA CYS 37 HA CYS 37 -5.375 -3.689 -6.869
65 HB2 CYS 37 HB2 CYS 37 -4.086 -1.620 -5.890
66 HB3 CYS 37 HB3 CYS 37 -5.812 -1.485 -6.225
67 HA PRO 38 HA PRO 38 -2.125 -6.473 -5.318
68 HB2 PRO 38 HB2 PRO 38 -1.112 -5.718 -8.031
69 HB3 PRO 38 HB3 PRO 38 -1.225 -7.320 -7.274
70 HG2 PRO 38 HG2 PRO 38 -2.963 -6.520 -9.135
71 HG3 PRO 38 HG3 PRO 38 -3.446 -7.553 -7.779
72 HD2 PRO 38 HD2 PRO 38 -4.050 -4.683 -8.254
73 HD3 PRO 38 HD3 PRO 38 -4.954 -5.885 -7.308
74 H GLN 39 H GLN 39 -1.528 -4.635 -3.813
75 HA GLN 39 HA GLN 39 1.063 -3.475 -4.675
76 HB2 GLN 39 HB2 GLN 39 -0.170 -1.555 -5.108
77 HB3 GLN 39 HB3 GLN 39 -1.382 -1.934 -3.885
78 HG2 GLN 39 HG2 GLN 39 -0.097 -1.097 -2.149
79 HG3 GLN 39 HG3 GLN 39 1.424 -1.418 -2.983
80 HE21 GLN 39 HE21 GLN 39 -1.162 0.165 -4.755
81 HE22 GLN 39 HE22 GLN 39 -0.457 1.709 -4.782
82 H ARG 40 H ARG 40 2.531 -3.345 -2.979
83 HA ARG 40 HA ARG 40 1.496 -4.146 -0.287
84 HB2 ARG 40 HB2 ARG 40 4.300 -4.697 -1.257
85 HB3 ARG 40 HB3 ARG 40 3.426 -5.466 0.068
86 HG2 ARG 40 HG2 ARG 40 2.869 -7.095 -1.391
87 HG3 ARG 40 HG3 ARG 40 1.812 -5.914 -2.167
88 HD2 ARG 40 HD2 ARG 40 3.612 -5.225 -3.661
89 HD3 ARG 40 HD3 ARG 40 4.742 -6.298 -2.838
90 HE ARG 40 HE ARG 40 3.608 -8.192 -3.835
91 HH11 ARG 40 HH11 ARG 40 2.347 -5.092 -4.674
92 HH12 ARG 40 HH12 ARG 40 1.465 -5.677 -6.043
93 HH21 ARG 40 HH21 ARG 40 2.462 -8.969 -5.618
94 HH22 ARG 40 HH22 ARG 40 1.529 -7.871 -6.578
95 H SER 41 H SER 41 2.210 -2.919 1.458
96 HA SER 41 HA SER 41 4.306 -0.872 0.953
97 HB2 SER 41 HB2 SER 41 2.845 0.832 2.099
98 HB3 SER 41 HB3 SER 41 2.248 0.322 0.522
99 HG SER 41 HG SER 41 0.594 -0.606 1.454
100 H ARG 42 H ARG 42 4.948 0.190 3.085
101 HA ARG 42 HA ARG 42 4.543 -1.683 5.378
102 HB2 ARG 42 HB2 ARG 42 6.871 -1.606 4.002
103 HB3 ARG 42 HB3 ARG 42 7.164 -0.300 5.152
104 HG2 ARG 42 HG2 ARG 42 6.666 -1.790 7.024
105 HG3 ARG 42 HG3 ARG 42 6.265 -3.095 5.908
106 HD2 ARG 42 HD2 ARG 42 8.813 -2.195 5.121
107 HD3 ARG 42 HD3 ARG 42 8.864 -2.271 6.881
108 HE ARG 42 HE ARG 42 8.308 -4.576 5.079
109 HH11 ARG 42 HH11 ARG 42 8.884 -3.195 8.190
110 HH12 ARG 42 HH12 ARG 42 9.187 -4.719 8.954
111 HH21 ARG 42 HH21 ARG 42 8.700 -6.569 6.062
112 HH22 ARG 42 HH22 ARG 42 9.084 -6.628 7.750
113 H ASP 43 H ASP 43 5.734 1.556 4.439
114 HA ASP 43 HA ASP 43 4.921 2.566 7.114
115 HB2 ASP 43 HB2 ASP 43 7.189 3.078 5.833
116 HB3 ASP 43 HB3 ASP 43 6.201 4.301 5.034
117 H PHE 44 H PHE 44 3.257 4.072 7.336
118 HA PHE 44 HA PHE 44 1.141 4.110 5.486
119 HB2 PHE 44 HB2 PHE 44 1.374 5.023 7.983
120 HB3 PHE 44 HB3 PHE 44 1.595 6.556 7.141
121 HD1 PHE 44 HD1 PHE 44 -0.638 3.539 7.117
122 HD2 PHE 44 HD2 PHE 44 -0.290 7.776 6.494
123 HE1 PHE 44 HE1 PHE 44 -3.083 3.684 6.731
124 HE2 PHE 44 HE2 PHE 44 -2.735 7.919 6.109
125 HZ PHE 44 HZ PHE 44 -4.131 5.873 6.226
126 H SER 45 H SER 45 4.058 6.047 5.570
127 HA SER 45 HA SER 45 3.267 8.193 3.894
128 HB2 SER 45 HB2 SER 45 5.393 8.597 4.644
129 HB3 SER 45 HB3 SER 45 5.830 6.891 4.632
130 HG SER 45 HG SER 45 6.935 7.970 2.995
131 H ALA 46 H ALA 46 4.503 4.957 3.055
132 HA ALA 46 HA ALA 46 4.274 5.494 0.184
133 HB1 ALA 46 HB1 ALA 46 4.583 2.782 1.485
134 HB2 ALA 46 HB2 ALA 46 5.943 3.890 1.302
135 HB3 ALA 46 HB3 ALA 46 5.102 3.282 -0.124
136 H MET 47 H MET 47 2.402 3.815 2.677
137 HA MET 47 HA MET 47 0.503 2.629 0.862
138 HB2 MET 47 HB2 MET 47 0.858 1.943 3.268
139 HB3 MET 47 HB3 MET 47 0.025 3.422 3.747
140 HG2 MET 47 HG2 MET 47 -1.656 2.304 1.826
141 HG3 MET 47 HG3 MET 47 -1.090 0.916 2.754
142 HE1 MET 47 HE1 MET 47 -2.939 0.875 5.841
143 HE2 MET 47 HE2 MET 47 -1.204 0.846 5.500
144 HE3 MET 47 HE3 MET 47 -2.334 0.054 4.404
145 H THR 48 H THR 48 0.895 5.822 2.184
146 HA THR 48 HA THR 48 -1.837 6.691 1.775
147 HB THR 48 HB THR 48 -0.689 9.009 1.791
148 HG1 THR 48 HG1 THR 48 1.411 9.042 2.168
149 HG21 THR 48 HG21 THR 48 0.100 8.273 4.333
150 HG22 THR 48 HG22 THR 48 -1.064 7.017 3.910
151 HG23 THR 48 HG23 THR 48 -1.542 8.714 3.866
152 H LYS 49 H LYS 49 1.178 7.269 -0.087
153 HA LYS 49 HA LYS 49 0.028 8.630 -2.264
154 HB2 LYS 49 HB2 LYS 49 2.369 6.747 -2.034
155 HB3 LYS 49 HB3 LYS 49 1.880 7.361 -3.614
156 HG2 LYS 49 HG2 LYS 49 1.983 9.474 -1.600
157 HG3 LYS 49 HG3 LYS 49 3.541 8.671 -1.803
158 HD2 LYS 49 HD2 LYS 49 1.940 9.509 -4.211
159 HD3 LYS 49 HD3 LYS 49 2.961 10.676 -3.368
160 HE2 LYS 49 HE2 LYS 49 4.931 9.524 -3.879
161 HE3 LYS 49 HE3 LYS 49 4.085 7.998 -4.143
162 HZ1 LYS 49 HZ1 LYS 49 4.912 9.397 -6.151
163 HZ2 LYS 49 HZ2 LYS 49 3.495 10.289 -5.884
164 HZ3 LYS 49 HZ3 LYS 49 3.399 8.626 -6.220
165 H HIS 50 H HIS 50 0.148 5.193 -1.517
166 HA HIS 50 HA HIS 50 -0.798 4.110 -3.933
167 HB2 HIS 50 HB2 HIS 50 -0.315 2.420 -2.449
168 HB3 HIS 50 HB3 HIS 50 -0.928 3.325 -1.063
169 HD1 HIS 50 HD1 HIS 50 -3.003 2.865 -4.145
170 HD2 HIS 50 HD2 HIS 50 -2.759 1.272 -0.302
171 HE1 HIS 50 HE1 HIS 50 -5.108 1.514 -3.799
172 H LEU 51 H LEU 51 -2.679 5.425 -1.181
173 HA LEU 51 HA LEU 51 -5.236 4.968 -2.437
174 HB2 LEU 51 HB2 LEU 51 -5.015 7.285 -0.605
175 HB3 LEU 51 HB3 LEU 51 -6.114 5.906 -0.549
176 HG LEU 51 HG LEU 51 -3.188 5.854 0.251
177 HD11 LEU 51 HD11 LEU 51 -4.291 5.341 2.524
178 HD12 LEU 51 HD12 LEU 51 -5.771 5.981 1.809
179 HD13 LEU 51 HD13 LEU 51 -4.349 7.012 1.963
180 HD21 LEU 51 HD21 LEU 51 -3.523 3.573 0.830
181 HD22 LEU 51 HD22 LEU 51 -4.278 3.742 -0.756
182 HD23 LEU 51 HD23 LEU 51 -5.276 3.714 0.697
183 H ARG 52 H ARG 52 -2.900 7.611 -2.503
184 HA ARG 52 HA ARG 52 -4.664 9.375 -4.031
185 HB2 ARG 52 HB2 ARG 52 -1.652 9.569 -3.765
186 HB3 ARG 52 HB3 ARG 52 -2.787 10.871 -4.125
187 HG2 ARG 52 HG2 ARG 52 -3.845 10.123 -1.804
188 HG3 ARG 52 HG3 ARG 52 -2.212 9.523 -1.516
189 HD2 ARG 52 HD2 ARG 52 -2.507 11.864 -0.720
190 HD3 ARG 52 HD3 ARG 52 -1.281 11.736 -1.982
191 HE ARG 52 HE ARG 52 -3.869 12.318 -3.121
192 HH11 ARG 52 HH11 ARG 52 -1.188 13.621 -1.391
193 HH12 ARG 52 HH12 ARG 52 -1.415 15.232 -1.986
194 HH21 ARG 52 HH21 ARG 52 -4.181 14.414 -3.910
195 HH22 ARG 52 HH22 ARG 52 -3.110 15.680 -3.414
196 H THR 53 H THR 53 -2.452 6.800 -4.663
197 HA THR 53 HA THR 53 -2.180 7.498 -7.522
198 HB THR 53 HB THR 53 -0.500 6.202 -5.779
199 HG1 THR 53 HG1 THR 53 -0.158 7.068 -7.950
200 HG21 THR 53 HG21 THR 53 -2.176 4.256 -5.883
201 HG22 THR 53 HG22 THR 53 -0.488 3.864 -6.208
202 HG23 THR 53 HG23 THR 53 -1.629 4.023 -7.542
203 H HIS 54 H HIS 54 -4.286 5.783 -5.474
204 HA HIS 54 HA HIS 54 -5.174 3.539 -6.760
205 HB2 HIS 54 HB2 HIS 54 -6.379 5.533 -5.074
206 HB3 HIS 54 HB3 HIS 54 -7.535 5.064 -6.319
207 HD1 HIS 54 HD1 HIS 54 -6.948 2.123 -6.678
208 HD2 HIS 54 HD2 HIS 54 -7.058 3.924 -2.921
209 HE1 HIS 54 HE1 HIS 54 -7.417 0.273 -5.013
210 H GLY 55 H GLY 55 -5.563 3.117 -8.877
211 HA2 GLY 55 HA2 GLY 55 -7.414 4.504 -10.494
212 HA3 GLY 55 HA3 GLY 55 -5.822 5.165 -10.867
Start of MODEL 5
1 H1 GLU 29 H1 GLU 29 5.740 -14.291 3.874
2 H2 GLU 29 H2 GLU 29 6.062 -14.773 5.472
3 H3 GLU 29 H3 GLU 29 7.335 -14.610 4.359
4 HA GLU 29 HA GLU 29 6.596 -12.726 6.137
5 HB2 GLU 29 HB2 GLU 29 8.722 -12.654 5.062
6 HB3 GLU 29 HB3 GLU 29 7.992 -12.554 3.460
7 HG2 GLU 29 HG2 GLU 29 7.454 -10.316 3.688
8 HG3 GLU 29 HG3 GLU 29 7.324 -10.419 5.445
9 H LYS 30 H LYS 30 4.448 -12.052 6.244
10 HA LYS 30 HA LYS 30 3.372 -10.712 3.795
11 HB2 LYS 30 HB2 LYS 30 1.526 -11.444 6.005
12 HB3 LYS 30 HB3 LYS 30 1.281 -11.527 4.261
13 HG2 LYS 30 HG2 LYS 30 2.830 -13.487 4.181
14 HG3 LYS 30 HG3 LYS 30 2.922 -13.444 5.942
15 HD2 LYS 30 HD2 LYS 30 0.294 -13.501 5.792
16 HD3 LYS 30 HD3 LYS 30 0.597 -14.167 4.186
17 HE2 LYS 30 HE2 LYS 30 1.795 -15.265 6.746
18 HE3 LYS 30 HE3 LYS 30 0.372 -15.932 5.945
19 HZ1 LYS 30 HZ1 LYS 30 2.948 -16.616 5.430
20 HZ2 LYS 30 HZ2 LYS 30 2.586 -15.545 4.166
21 HZ3 LYS 30 HZ3 LYS 30 1.622 -16.922 4.413
22 HA PRO 31 HA PRO 31 4.006 -7.307 6.765
23 HB2 PRO 31 HB2 PRO 31 4.426 -5.384 4.880
24 HB3 PRO 31 HB3 PRO 31 5.695 -6.498 5.423
25 HG2 PRO 31 HG2 PRO 31 4.093 -6.526 2.931
26 HG3 PRO 31 HG3 PRO 31 5.774 -7.008 3.203
27 HD2 PRO 31 HD2 PRO 31 3.632 -8.773 2.980
28 HD3 PRO 31 HD3 PRO 31 5.194 -9.160 3.734
29 H PHE 32 H PHE 32 2.872 -5.411 4.126
30 HA PHE 32 HA PHE 32 0.058 -5.551 5.067
31 HB2 PHE 32 HB2 PHE 32 1.864 -3.146 5.183
32 HB3 PHE 32 HB3 PHE 32 0.127 -2.939 4.959
33 HD1 PHE 32 HD1 PHE 32 2.716 -4.381 7.206
34 HD2 PHE 32 HD2 PHE 32 -1.409 -3.272 6.756
35 HE1 PHE 32 HE1 PHE 32 2.358 -4.727 9.635
36 HE2 PHE 32 HE2 PHE 32 -1.767 -3.618 9.186
37 HZ PHE 32 HZ PHE 32 0.117 -4.346 10.626
38 H SER 33 H SER 33 -0.944 -6.071 3.173
39 HA SER 33 HA SER 33 -0.062 -4.664 0.691
40 HB2 SER 33 HB2 SER 33 -1.044 -6.487 -0.547
41 HB3 SER 33 HB3 SER 33 -0.052 -7.192 0.727
42 HG SER 33 HG SER 33 -1.910 -7.539 1.930
43 H CYS 34 H CYS 34 -1.880 -4.075 -0.826
44 HA CYS 34 HA CYS 34 -4.001 -2.728 0.699
45 HB2 CYS 34 HB2 CYS 34 -2.795 -1.685 -1.270
46 HB3 CYS 34 HB3 CYS 34 -3.645 -2.831 -2.308
47 H SER 35 H SER 35 -6.262 -2.836 -0.648
48 HA SER 35 HA SER 35 -7.068 -5.667 -0.431
49 HB2 SER 35 HB2 SER 35 -9.348 -4.376 -1.113
50 HB3 SER 35 HB3 SER 35 -8.759 -4.473 0.544
51 HG SER 35 HG SER 35 -7.970 -2.425 -1.244
52 H LEU 36 H LEU 36 -8.198 -3.235 -2.782
53 HA LEU 36 HA LEU 36 -7.926 -5.318 -4.889
54 HB2 LEU 36 HB2 LEU 36 -10.143 -4.344 -4.738
55 HB3 LEU 36 HB3 LEU 36 -9.476 -2.712 -4.801
56 HG LEU 36 HG LEU 36 -8.689 -3.062 -7.070
57 HD11 LEU 36 HD11 LEU 36 -9.525 -5.339 -8.124
58 HD12 LEU 36 HD12 LEU 36 -9.437 -5.901 -6.455
59 HD13 LEU 36 HD13 LEU 36 -7.994 -5.275 -7.251
60 HD21 LEU 36 HD21 LEU 36 -10.750 -2.854 -8.072
61 HD22 LEU 36 HD22 LEU 36 -11.282 -2.761 -6.393
62 HD23 LEU 36 HD23 LEU 36 -11.398 -4.286 -7.271
63 H CYS 37 H CYS 37 -5.689 -5.101 -5.309
64 HA CYS 37 HA CYS 37 -4.750 -3.572 -7.347
65 HB2 CYS 37 HB2 CYS 37 -3.538 -1.673 -5.975
66 HB3 CYS 37 HB3 CYS 37 -5.205 -1.447 -6.501
67 HA PRO 38 HA PRO 38 -1.818 -6.646 -5.592
68 HB2 PRO 38 HB2 PRO 38 -0.719 -6.101 -8.319
69 HB3 PRO 38 HB3 PRO 38 -0.974 -7.651 -7.495
70 HG2 PRO 38 HG2 PRO 38 -2.613 -6.798 -9.420
71 HG3 PRO 38 HG3 PRO 38 -3.201 -7.724 -8.029
72 HD2 PRO 38 HD2 PRO 38 -3.543 -4.833 -8.638
73 HD3 PRO 38 HD3 PRO 38 -4.574 -5.915 -7.675
74 H GLN 39 H GLN 39 -1.092 -4.802 -4.160
75 HA GLN 39 HA GLN 39 1.631 -3.999 -4.911
76 HB2 GLN 39 HB2 GLN 39 1.332 -1.719 -5.056
77 HB3 GLN 39 HB3 GLN 39 -0.232 -2.236 -5.684
78 HG2 GLN 39 HG2 GLN 39 -1.136 -2.106 -3.336
79 HG3 GLN 39 HG3 GLN 39 0.399 -1.389 -2.845
80 HE21 GLN 39 HE21 GLN 39 -2.619 -0.776 -4.529
81 HE22 GLN 39 HE22 GLN 39 -2.333 0.869 -4.838
82 H ARG 40 H ARG 40 2.841 -3.241 -3.053
83 HA ARG 40 HA ARG 40 1.440 -3.593 -0.439
84 HB2 ARG 40 HB2 ARG 40 4.223 -4.636 -1.020
85 HB3 ARG 40 HB3 ARG 40 3.246 -4.925 0.421
86 HG2 ARG 40 HG2 ARG 40 1.520 -5.978 -1.179
87 HG3 ARG 40 HG3 ARG 40 2.823 -5.997 -2.369
88 HD2 ARG 40 HD2 ARG 40 2.486 -7.621 0.091
89 HD3 ARG 40 HD3 ARG 40 3.265 -8.038 -1.435
90 HE ARG 40 HE ARG 40 4.559 -6.746 0.870
91 HH11 ARG 40 HH11 ARG 40 4.578 -7.535 -2.486
92 HH12 ARG 40 HH12 ARG 40 6.296 -7.378 -2.650
93 HH21 ARG 40 HH21 ARG 40 6.802 -6.536 0.675
94 HH22 ARG 40 HH22 ARG 40 7.554 -6.812 -0.859
95 H SER 41 H SER 41 2.442 -2.411 1.319
96 HA SER 41 HA SER 41 4.426 -0.358 0.433
97 HB2 SER 41 HB2 SER 41 2.323 0.346 2.447
98 HB3 SER 41 HB3 SER 41 3.191 1.393 1.328
99 HG SER 41 HG SER 41 1.350 -0.603 0.511
100 H ARG 42 H ARG 42 5.237 0.821 2.580
101 HA ARG 42 HA ARG 42 5.677 -1.285 4.658
102 HB2 ARG 42 HB2 ARG 42 7.700 0.724 3.616
103 HB3 ARG 42 HB3 ARG 42 7.983 -0.443 4.908
104 HG2 ARG 42 HG2 ARG 42 8.074 -2.236 3.462
105 HG3 ARG 42 HG3 ARG 42 6.961 -1.496 2.309
106 HD2 ARG 42 HD2 ARG 42 8.799 0.176 1.777
107 HD3 ARG 42 HD3 ARG 42 9.886 -0.836 2.728
108 HE ARG 42 HE ARG 42 8.718 -2.595 0.920
109 HH11 ARG 42 HH11 ARG 42 10.444 0.388 0.794
110 HH12 ARG 42 HH12 ARG 42 11.164 0.060 -0.746
111 HH21 ARG 42 HH21 ARG 42 9.650 -3.040 -1.093
112 HH22 ARG 42 HH22 ARG 42 10.715 -1.880 -1.814
113 H ASP 43 H ASP 43 5.785 2.221 3.981
114 HA ASP 43 HA ASP 43 5.061 2.666 6.851
115 HB2 ASP 43 HB2 ASP 43 7.225 3.695 5.445
116 HB3 ASP 43 HB3 ASP 43 6.045 5.007 5.392
117 H PHE 44 H PHE 44 3.178 3.795 7.248
118 HA PHE 44 HA PHE 44 1.062 3.967 5.525
119 HB2 PHE 44 HB2 PHE 44 1.343 4.795 8.025
120 HB3 PHE 44 HB3 PHE 44 1.529 6.370 7.254
121 HD1 PHE 44 HD1 PHE 44 -0.685 3.341 7.147
122 HD2 PHE 44 HD2 PHE 44 -0.382 7.606 6.732
123 HE1 PHE 44 HE1 PHE 44 -3.142 3.487 6.848
124 HE2 PHE 44 HE2 PHE 44 -2.839 7.751 6.433
125 HZ PHE 44 HZ PHE 44 -4.220 5.692 6.490
126 H SER 45 H SER 45 3.778 6.229 5.671
127 HA SER 45 HA SER 45 2.831 8.302 4.042
128 HB2 SER 45 HB2 SER 45 5.082 8.873 3.661
129 HB3 SER 45 HB3 SER 45 5.156 7.976 5.175
130 HG SER 45 HG SER 45 6.118 6.360 4.181
131 H ALA 46 H ALA 46 4.612 5.405 2.899
132 HA ALA 46 HA ALA 46 4.053 5.933 0.123
133 HB1 ALA 46 HB1 ALA 46 5.223 3.986 -0.308
134 HB2 ALA 46 HB2 ALA 46 4.527 3.138 1.072
135 HB3 ALA 46 HB3 ALA 46 5.811 4.322 1.319
136 H MET 47 H MET 47 2.401 4.092 2.641
137 HA MET 47 HA MET 47 0.558 2.730 0.909
138 HB2 MET 47 HB2 MET 47 1.055 2.294 3.410
139 HB3 MET 47 HB3 MET 47 -0.090 3.598 3.725
140 HG2 MET 47 HG2 MET 47 -1.466 2.093 1.891
141 HG3 MET 47 HG3 MET 47 -0.589 0.850 2.785
142 HE1 MET 47 HE1 MET 47 -4.076 0.640 4.388
143 HE2 MET 47 HE2 MET 47 -2.667 -0.282 3.845
144 HE3 MET 47 HE3 MET 47 -3.532 0.760 2.717
145 H THR 48 H THR 48 0.481 5.895 2.512
146 HA THR 48 HA THR 48 -2.235 6.532 1.874
147 HB THR 48 HB THR 48 -0.982 8.961 1.854
148 HG1 THR 48 HG1 THR 48 0.964 7.460 2.233
149 HG21 THR 48 HG21 THR 48 -2.718 8.644 3.383
150 HG22 THR 48 HG22 THR 48 -1.313 8.753 4.445
151 HG23 THR 48 HG23 THR 48 -1.996 7.176 4.046
152 H LYS 49 H LYS 49 0.811 7.367 0.180
153 HA LYS 49 HA LYS 49 -0.317 8.759 -1.993
154 HB2 LYS 49 HB2 LYS 49 2.015 6.820 -2.134
155 HB3 LYS 49 HB3 LYS 49 1.686 8.148 -3.247
156 HG2 LYS 49 HG2 LYS 49 1.677 9.459 -0.846
157 HG3 LYS 49 HG3 LYS 49 2.888 8.210 -0.553
158 HD2 LYS 49 HD2 LYS 49 4.048 8.871 -2.649
159 HD3 LYS 49 HD3 LYS 49 2.868 10.162 -2.872
160 HE2 LYS 49 HE2 LYS 49 3.651 10.646 -0.311
161 HE3 LYS 49 HE3 LYS 49 5.144 9.993 -0.987
162 HZ1 LYS 49 HZ1 LYS 49 4.536 11.609 -2.932
163 HZ2 LYS 49 HZ2 LYS 49 5.348 12.176 -1.556
164 HZ3 LYS 49 HZ3 LYS 49 3.674 12.422 -1.714
165 H HIS 50 H HIS 50 0.154 5.282 -1.519
166 HA HIS 50 HA HIS 50 -0.711 4.335 -4.017
167 HB2 HIS 50 HB2 HIS 50 0.029 2.619 -2.650
168 HB3 HIS 50 HB3 HIS 50 -0.782 3.267 -1.225
169 HD1 HIS 50 HD1 HIS 50 -2.851 3.043 -4.273
170 HD2 HIS 50 HD2 HIS 50 -2.057 0.644 -0.959
171 HE1 HIS 50 HE1 HIS 50 -4.659 1.278 -4.222
172 H LEU 51 H LEU 51 -2.668 5.272 -1.178
173 HA LEU 51 HA LEU 51 -5.176 4.618 -2.497
174 HB2 LEU 51 HB2 LEU 51 -5.332 6.651 -0.387
175 HB3 LEU 51 HB3 LEU 51 -6.100 5.067 -0.478
176 HG LEU 51 HG LEU 51 -3.188 5.513 0.234
177 HD11 LEU 51 HD11 LEU 51 -5.501 4.785 2.051
178 HD12 LEU 51 HD12 LEU 51 -4.813 6.405 1.932
179 HD13 LEU 51 HD13 LEU 51 -3.827 5.070 2.530
180 HD21 LEU 51 HD21 LEU 51 -4.986 3.072 0.385
181 HD22 LEU 51 HD22 LEU 51 -3.311 3.141 0.932
182 HD23 LEU 51 HD23 LEU 51 -3.686 3.319 -0.781
183 H ARG 52 H ARG 52 -3.241 7.558 -2.070
184 HA ARG 52 HA ARG 52 -5.201 9.283 -3.352
185 HB2 ARG 52 HB2 ARG 52 -3.732 10.498 -2.001
186 HB3 ARG 52 HB3 ARG 52 -2.329 9.557 -2.508
187 HG2 ARG 52 HG2 ARG 52 -2.229 10.648 -4.621
188 HG3 ARG 52 HG3 ARG 52 -3.841 11.339 -4.426
189 HD2 ARG 52 HD2 ARG 52 -1.374 12.045 -2.808
190 HD3 ARG 52 HD3 ARG 52 -2.170 13.068 -4.003
191 HE ARG 52 HE ARG 52 -4.116 12.382 -2.065
192 HH11 ARG 52 HH11 ARG 52 -1.122 14.067 -2.361
193 HH12 ARG 52 HH12 ARG 52 -1.476 15.190 -1.090
194 HH21 ARG 52 HH21 ARG 52 -4.597 13.839 -0.407
195 HH22 ARG 52 HH22 ARG 52 -3.444 15.061 0.015
196 H THR 53 H THR 53 -2.853 7.026 -4.426
197 HA THR 53 HA THR 53 -2.820 8.201 -7.163
198 HB THR 53 HB THR 53 -0.750 7.196 -5.740
199 HG1 THR 53 HG1 THR 53 -1.070 6.758 -8.519
200 HG21 THR 53 HG21 THR 53 -2.021 4.935 -5.821
201 HG22 THR 53 HG22 THR 53 -0.303 4.931 -6.215
202 HG23 THR 53 HG23 THR 53 -1.505 4.871 -7.505
203 H HIS 54 H HIS 54 -4.471 5.930 -5.307
204 HA HIS 54 HA HIS 54 -4.920 3.644 -6.696
205 HB2 HIS 54 HB2 HIS 54 -6.500 5.277 -4.976
206 HB3 HIS 54 HB3 HIS 54 -7.528 4.782 -6.320
207 HD1 HIS 54 HD1 HIS 54 -6.719 1.998 -6.925
208 HD2 HIS 54 HD2 HIS 54 -6.865 3.386 -2.997
209 HE1 HIS 54 HE1 HIS 54 -6.943 -0.049 -5.451
210 H GLY 55 H GLY 55 -4.665 3.565 -8.913
211 HA2 GLY 55 HA2 GLY 55 -5.097 3.983 -11.185
212 HA3 GLY 55 HA3 GLY 55 -6.773 4.149 -10.659
Start of MODEL 6
1 H1 GLU 29 H1 GLU 29 4.761 -12.535 10.354
2 H2 GLU 29 H2 GLU 29 5.719 -13.003 9.031
3 H3 GLU 29 H3 GLU 29 4.032 -12.890 8.864
4 HA GLU 29 HA GLU 29 4.409 -10.431 9.567
5 HB2 GLU 29 HB2 GLU 29 6.752 -10.078 8.128
6 HB3 GLU 29 HB3 GLU 29 6.612 -10.007 9.885
7 HG2 GLU 29 HG2 GLU 29 7.046 -12.448 10.000
8 HG3 GLU 29 HG3 GLU 29 7.252 -12.478 8.248
9 H LYS 30 H LYS 30 2.637 -11.224 7.982
10 HA LYS 30 HA LYS 30 3.145 -11.634 5.225
11 HB2 LYS 30 HB2 LYS 30 0.822 -10.776 6.864
12 HB3 LYS 30 HB3 LYS 30 0.759 -10.344 5.155
13 HG2 LYS 30 HG2 LYS 30 -0.248 -12.508 5.328
14 HG3 LYS 30 HG3 LYS 30 1.359 -12.768 4.648
15 HD2 LYS 30 HD2 LYS 30 1.886 -12.892 7.333
16 HD3 LYS 30 HD3 LYS 30 0.269 -13.594 7.262
17 HE2 LYS 30 HE2 LYS 30 1.026 -15.170 5.519
18 HE3 LYS 30 HE3 LYS 30 2.643 -14.469 5.589
19 HZ1 LYS 30 HZ1 LYS 30 2.321 -15.010 8.133
20 HZ2 LYS 30 HZ2 LYS 30 2.912 -16.168 7.043
21 HZ3 LYS 30 HZ3 LYS 30 1.277 -16.196 7.507
22 HA PRO 31 HA PRO 31 4.474 -7.652 3.851
23 HB2 PRO 31 HB2 PRO 31 3.701 -7.773 1.232
24 HB3 PRO 31 HB3 PRO 31 5.083 -8.678 1.880
25 HG2 PRO 31 HG2 PRO 31 2.331 -9.613 1.261
26 HG3 PRO 31 HG3 PRO 31 3.882 -10.441 1.050
27 HD2 PRO 31 HD2 PRO 31 2.159 -10.949 3.138
28 HD3 PRO 31 HD3 PRO 31 3.914 -11.216 3.220
29 H PHE 32 H PHE 32 3.573 -5.632 4.009
30 HA PHE 32 HA PHE 32 0.758 -5.250 4.307
31 HB2 PHE 32 HB2 PHE 32 3.166 -3.580 4.287
32 HB3 PHE 32 HB3 PHE 32 1.755 -2.755 3.620
33 HD1 PHE 32 HD1 PHE 32 3.185 -4.376 6.608
34 HD2 PHE 32 HD2 PHE 32 -0.210 -2.302 4.988
35 HE1 PHE 32 HE1 PHE 32 2.296 -4.039 8.899
36 HE2 PHE 32 HE2 PHE 32 -1.098 -1.966 7.278
37 HZ PHE 32 HZ PHE 32 0.155 -2.834 9.235
38 H SER 33 H SER 33 0.279 -6.503 2.192
39 HA SER 33 HA SER 33 0.607 -4.896 -0.259
40 HB2 SER 33 HB2 SER 33 -0.580 -6.816 -1.338
41 HB3 SER 33 HB3 SER 33 0.862 -7.313 -0.456
42 HG SER 33 HG SER 33 -0.411 -8.053 1.187
43 H CYS 34 H CYS 34 -1.232 -4.137 -1.497
44 HA CYS 34 HA CYS 34 -3.382 -3.129 0.203
45 HB2 CYS 34 HB2 CYS 34 -2.416 -1.817 -1.695
46 HB3 CYS 34 HB3 CYS 34 -3.110 -2.990 -2.814
47 H SER 35 H SER 35 -5.702 -3.298 -1.041
48 HA SER 35 HA SER 35 -6.288 -6.197 -1.024
49 HB2 SER 35 HB2 SER 35 -7.711 -4.644 0.293
50 HB3 SER 35 HB3 SER 35 -8.165 -3.819 -1.194
51 HG SER 35 HG SER 35 -8.466 -6.517 -1.366
52 H LEU 36 H LEU 36 -7.360 -3.457 -3.082
53 HA LEU 36 HA LEU 36 -7.361 -5.370 -5.379
54 HB2 LEU 36 HB2 LEU 36 -9.401 -3.760 -4.480
55 HB3 LEU 36 HB3 LEU 36 -8.686 -2.766 -5.749
56 HG LEU 36 HG LEU 36 -9.483 -5.667 -6.102
57 HD11 LEU 36 HD11 LEU 36 -11.121 -4.172 -7.720
58 HD12 LEU 36 HD12 LEU 36 -11.000 -3.147 -6.289
59 HD13 LEU 36 HD13 LEU 36 -11.585 -4.805 -6.140
60 HD21 LEU 36 HD21 LEU 36 -7.627 -4.675 -7.546
61 HD22 LEU 36 HD22 LEU 36 -8.843 -3.571 -8.191
62 HD23 LEU 36 HD23 LEU 36 -9.017 -5.309 -8.428
63 H CYS 37 H CYS 37 -5.157 -5.101 -5.945
64 HA CYS 37 HA CYS 37 -4.335 -3.442 -7.896
65 HB2 CYS 37 HB2 CYS 37 -3.142 -1.541 -6.553
66 HB3 CYS 37 HB3 CYS 37 -4.860 -1.378 -6.907
67 HA PRO 38 HA PRO 38 -1.209 -6.462 -6.413
68 HB2 PRO 38 HB2 PRO 38 -0.231 -5.703 -9.138
69 HB3 PRO 38 HB3 PRO 38 -0.374 -7.309 -8.398
70 HG2 PRO 38 HG2 PRO 38 -2.125 -6.447 -10.214
71 HG3 PRO 38 HG3 PRO 38 -2.616 -7.470 -8.853
72 HD2 PRO 38 HD2 PRO 38 -3.120 -4.571 -9.296
73 HD3 PRO 38 HD3 PRO 38 -4.063 -5.753 -8.359
74 H GLN 39 H GLN 39 -0.605 -4.560 -4.930
75 HA GLN 39 HA GLN 39 2.064 -3.579 -5.741
76 HB2 GLN 39 HB2 GLN 39 1.598 -1.273 -5.303
77 HB3 GLN 39 HB3 GLN 39 0.315 -1.831 -6.376
78 HG2 GLN 39 HG2 GLN 39 -1.144 -2.212 -4.401
79 HG3 GLN 39 HG3 GLN 39 0.131 -1.580 -3.359
80 HE21 GLN 39 HE21 GLN 39 -1.768 -0.600 -6.270
81 HE22 GLN 39 HE22 GLN 39 -1.838 1.042 -5.849
82 H ARG 40 H ARG 40 3.415 -3.199 -3.947
83 HA ARG 40 HA ARG 40 2.205 -3.831 -1.284
84 HB2 ARG 40 HB2 ARG 40 4.778 -4.766 -2.549
85 HB3 ARG 40 HB3 ARG 40 4.585 -4.746 -0.796
86 HG2 ARG 40 HG2 ARG 40 2.759 -6.274 -0.874
87 HG3 ARG 40 HG3 ARG 40 2.569 -6.073 -2.617
88 HD2 ARG 40 HD2 ARG 40 5.225 -6.887 -2.303
89 HD3 ARG 40 HD3 ARG 40 4.327 -7.876 -1.153
90 HE ARG 40 HE ARG 40 3.148 -8.875 -2.983
91 HH11 ARG 40 HH11 ARG 40 5.237 -6.288 -3.892
92 HH12 ARG 40 HH12 ARG 40 5.168 -6.651 -5.585
93 HH21 ARG 40 HH21 ARG 40 3.047 -9.365 -5.188
94 HH22 ARG 40 HH22 ARG 40 3.928 -8.393 -6.318
95 H SER 41 H SER 41 2.926 -2.567 0.456
96 HA SER 41 HA SER 41 4.901 -0.423 -0.202
97 HB2 SER 41 HB2 SER 41 3.492 1.111 1.223
98 HB3 SER 41 HB3 SER 41 2.725 0.624 -0.285
99 HG SER 41 HG SER 41 2.217 -0.213 2.353
100 H ARG 42 H ARG 42 5.110 0.786 2.238
101 HA ARG 42 HA ARG 42 5.464 -1.326 4.280
102 HB2 ARG 42 HB2 ARG 42 7.616 -0.378 2.650
103 HB3 ARG 42 HB3 ARG 42 7.861 0.232 4.288
104 HG2 ARG 42 HG2 ARG 42 7.602 -2.041 5.191
105 HG3 ARG 42 HG3 ARG 42 7.316 -2.663 3.566
106 HD2 ARG 42 HD2 ARG 42 9.773 -2.582 4.752
107 HD3 ARG 42 HD3 ARG 42 9.523 -2.579 3.007
108 HE ARG 42 HE ARG 42 9.416 0.074 3.526
109 HH11 ARG 42 HH11 ARG 42 11.496 -2.433 4.660
110 HH12 ARG 42 HH12 ARG 42 12.860 -1.388 4.870
111 HH21 ARG 42 HH21 ARG 42 11.188 1.453 3.795
112 HH22 ARG 42 HH22 ARG 42 12.687 0.812 4.380
113 H ASP 43 H ASP 43 6.107 2.113 3.512
114 HA ASP 43 HA ASP 43 5.401 2.780 6.328
115 HB2 ASP 43 HB2 ASP 43 7.185 3.937 4.302
116 HB3 ASP 43 HB3 ASP 43 6.186 5.138 5.120
117 H PHE 44 H PHE 44 3.573 3.981 6.782
118 HA PHE 44 HA PHE 44 1.348 4.020 5.130
119 HB2 PHE 44 HB2 PHE 44 1.787 4.905 7.632
120 HB3 PHE 44 HB3 PHE 44 1.737 6.458 6.797
121 HD1 PHE 44 HD1 PHE 44 -0.116 3.190 6.622
122 HD2 PHE 44 HD2 PHE 44 -0.350 7.478 6.747
123 HE1 PHE 44 HE1 PHE 44 -2.590 3.058 6.522
124 HE2 PHE 44 HE2 PHE 44 -2.824 7.345 6.647
125 HZ PHE 44 HZ PHE 44 -3.944 5.135 6.534
126 H SER 45 H SER 45 3.936 6.450 5.278
127 HA SER 45 HA SER 45 2.865 8.437 3.624
128 HB2 SER 45 HB2 SER 45 4.942 9.153 4.203
129 HB3 SER 45 HB3 SER 45 5.562 7.510 4.339
130 HG SER 45 HG SER 45 5.524 7.517 1.972
131 H ALA 46 H ALA 46 4.445 5.394 2.657
132 HA ALA 46 HA ALA 46 3.988 5.979 -0.190
133 HB1 ALA 46 HB1 ALA 46 5.522 4.038 1.378
134 HB2 ALA 46 HB2 ALA 46 5.813 4.641 -0.255
135 HB3 ALA 46 HB3 ALA 46 4.696 3.301 0.006
136 H MET 47 H MET 47 2.558 4.026 2.375
137 HA MET 47 HA MET 47 0.787 2.559 0.597
138 HB2 MET 47 HB2 MET 47 1.547 1.941 3.008
139 HB3 MET 47 HB3 MET 47 0.256 3.025 3.527
140 HG2 MET 47 HG2 MET 47 -1.415 1.716 2.438
141 HG3 MET 47 HG3 MET 47 -0.210 0.796 1.538
142 HE1 MET 47 HE1 MET 47 -1.891 1.739 4.586
143 HE2 MET 47 HE2 MET 47 -1.622 0.488 5.807
144 HE3 MET 47 HE3 MET 47 -2.667 0.165 4.426
145 H THR 48 H THR 48 0.726 5.672 2.146
146 HA THR 48 HA THR 48 -2.161 6.019 1.968
147 HB THR 48 HB THR 48 -1.586 8.442 2.377
148 HG1 THR 48 HG1 THR 48 0.507 8.985 2.623
149 HG21 THR 48 HG21 THR 48 -1.823 7.766 4.505
150 HG22 THR 48 HG22 THR 48 -0.096 7.414 4.553
151 HG23 THR 48 HG23 THR 48 -1.239 6.155 4.087
152 H LYS 49 H LYS 49 0.620 7.297 0.101
153 HA LYS 49 HA LYS 49 -0.821 8.753 -1.825
154 HB2 LYS 49 HB2 LYS 49 1.712 7.112 -2.089
155 HB3 LYS 49 HB3 LYS 49 1.087 8.118 -3.395
156 HG2 LYS 49 HG2 LYS 49 1.056 9.704 -1.034
157 HG3 LYS 49 HG3 LYS 49 2.634 8.921 -1.112
158 HD2 LYS 49 HD2 LYS 49 2.863 9.692 -3.473
159 HD3 LYS 49 HD3 LYS 49 1.334 10.556 -3.310
160 HE2 LYS 49 HE2 LYS 49 2.261 11.921 -1.503
161 HE3 LYS 49 HE3 LYS 49 3.776 11.021 -1.572
162 HZ1 LYS 49 HZ1 LYS 49 3.146 13.268 -3.008
163 HZ2 LYS 49 HZ2 LYS 49 3.022 12.005 -4.134
164 HZ3 LYS 49 HZ3 LYS 49 4.468 12.235 -3.274
165 H HIS 50 H HIS 50 -0.168 5.289 -1.613
166 HA HIS 50 HA HIS 50 -1.147 4.455 -4.118
167 HB2 HIS 50 HB2 HIS 50 -0.217 2.725 -2.856
168 HB3 HIS 50 HB3 HIS 50 -1.074 3.200 -1.389
169 HD1 HIS 50 HD1 HIS 50 -3.277 3.194 -4.288
170 HD2 HIS 50 HD2 HIS 50 -2.003 0.358 -1.512
171 HE1 HIS 50 HE1 HIS 50 -4.915 1.278 -4.427
172 H LEU 51 H LEU 51 -2.955 5.010 -1.075
173 HA LEU 51 HA LEU 51 -5.512 4.437 -2.332
174 HB2 LEU 51 HB2 LEU 51 -5.668 6.182 0.003
175 HB3 LEU 51 HB3 LEU 51 -6.303 4.551 -0.218
176 HG LEU 51 HG LEU 51 -3.396 5.169 0.379
177 HD11 LEU 51 HD11 LEU 51 -4.340 5.711 2.412
178 HD12 LEU 51 HD12 LEU 51 -4.245 3.960 2.605
179 HD13 LEU 51 HD13 LEU 51 -5.768 4.715 2.133
180 HD21 LEU 51 HD21 LEU 51 -3.497 2.683 1.016
181 HD22 LEU 51 HD22 LEU 51 -3.574 3.050 -0.707
182 HD23 LEU 51 HD23 LEU 51 -5.047 2.642 0.173
183 H ARG 52 H ARG 52 -3.575 7.325 -1.735
184 HA ARG 52 HA ARG 52 -5.647 9.168 -2.633
185 HB2 ARG 52 HB2 ARG 52 -3.391 9.535 -1.198
186 HB3 ARG 52 HB3 ARG 52 -2.770 9.934 -2.800
187 HG2 ARG 52 HG2 ARG 52 -4.891 11.416 -3.019
188 HG3 ARG 52 HG3 ARG 52 -4.997 11.264 -1.265
189 HD2 ARG 52 HD2 ARG 52 -2.289 11.861 -1.872
190 HD3 ARG 52 HD3 ARG 52 -3.282 12.978 -2.808
191 HE ARG 52 HE ARG 52 -4.431 13.090 -0.312
192 HH11 ARG 52 HH11 ARG 52 -1.218 13.327 -1.540
193 HH12 ARG 52 HH12 ARG 52 -0.679 14.400 -0.292
194 HH21 ARG 52 HH21 ARG 52 -3.745 14.489 1.325
195 HH22 ARG 52 HH22 ARG 52 -2.109 15.057 1.331
196 H THR 53 H THR 53 -3.457 7.033 -4.142
197 HA THR 53 HA THR 53 -3.700 8.499 -6.733
198 HB THR 53 HB THR 53 -1.410 7.644 -5.628
199 HG1 THR 53 HG1 THR 53 -1.966 7.240 -8.375
200 HG21 THR 53 HG21 THR 53 -2.024 5.317 -7.424
201 HG22 THR 53 HG22 THR 53 -2.515 5.258 -5.732
202 HG23 THR 53 HG23 THR 53 -0.813 5.452 -6.149
203 H HIS 54 H HIS 54 -5.169 6.102 -5.011
204 HA HIS 54 HA HIS 54 -5.456 3.832 -6.541
205 HB2 HIS 54 HB2 HIS 54 -7.016 5.157 -4.574
206 HB3 HIS 54 HB3 HIS 54 -8.111 4.739 -5.890
207 HD1 HIS 54 HD1 HIS 54 -7.207 2.086 -6.845
208 HD2 HIS 54 HD2 HIS 54 -7.113 3.055 -2.792
209 HE1 HIS 54 HE1 HIS 54 -7.209 -0.112 -5.584
210 H GLY 55 H GLY 55 -6.138 7.030 -7.557
211 HA2 GLY 55 HA2 GLY 55 -7.012 6.014 -10.182
212 HA3 GLY 55 HA3 GLY 55 -8.172 7.044 -9.340
Start of MODEL 7
1 H1 GLU 29 H1 GLU 29 6.649 -10.083 9.717
2 H2 GLU 29 H2 GLU 29 6.588 -8.851 10.885
3 H3 GLU 29 H3 GLU 29 8.086 -9.443 10.348
4 HA GLU 29 HA GLU 29 6.690 -7.278 9.351
5 HB2 GLU 29 HB2 GLU 29 9.122 -8.863 8.552
6 HB3 GLU 29 HB3 GLU 29 8.580 -7.509 7.558
7 HG2 GLU 29 HG2 GLU 29 8.789 -7.073 10.507
8 HG3 GLU 29 HG3 GLU 29 10.287 -7.149 9.578
9 H LYS 30 H LYS 30 4.675 -8.890 8.881
10 HA LYS 30 HA LYS 30 4.726 -10.327 6.386
11 HB2 LYS 30 HB2 LYS 30 2.628 -9.392 8.292
12 HB3 LYS 30 HB3 LYS 30 2.113 -9.798 6.655
13 HG2 LYS 30 HG2 LYS 30 1.971 -11.781 8.090
14 HG3 LYS 30 HG3 LYS 30 3.229 -12.007 6.874
15 HD2 LYS 30 HD2 LYS 30 4.862 -12.119 8.435
16 HD3 LYS 30 HD3 LYS 30 4.230 -10.721 9.306
17 HE2 LYS 30 HE2 LYS 30 2.408 -12.245 10.207
18 HE3 LYS 30 HE3 LYS 30 3.315 -13.598 9.529
19 HZ1 LYS 30 HZ1 LYS 30 5.127 -12.028 10.924
20 HZ2 LYS 30 HZ2 LYS 30 4.564 -13.574 11.338
21 HZ3 LYS 30 HZ3 LYS 30 3.769 -12.194 11.932
22 HA PRO 31 HA PRO 31 4.402 -6.963 3.545
23 HB2 PRO 31 HB2 PRO 31 3.169 -8.232 1.457
24 HB3 PRO 31 HB3 PRO 31 4.873 -8.483 1.881
25 HG2 PRO 31 HG2 PRO 31 2.509 -10.189 2.450
26 HG3 PRO 31 HG3 PRO 31 4.167 -10.653 2.038
27 HD2 PRO 31 HD2 PRO 31 3.157 -10.712 4.603
28 HD3 PRO 31 HD3 PRO 31 4.884 -10.532 4.223
29 H PHE 32 H PHE 32 2.934 -5.341 3.016
30 HA PHE 32 HA PHE 32 0.088 -5.854 3.762
31 HB2 PHE 32 HB2 PHE 32 1.928 -3.602 4.120
32 HB3 PHE 32 HB3 PHE 32 0.378 -3.113 3.437
33 HD1 PHE 32 HD1 PHE 32 -1.704 -4.461 4.579
34 HD2 PHE 32 HD2 PHE 32 2.065 -3.580 6.440
35 HE1 PHE 32 HE1 PHE 32 -2.759 -4.674 6.814
36 HE2 PHE 32 HE2 PHE 32 1.011 -3.792 8.676
37 HZ PHE 32 HZ PHE 32 -1.401 -4.340 8.862
38 H SER 33 H SER 33 -0.880 -6.534 1.856
39 HA SER 33 HA SER 33 -0.298 -5.047 -0.646
40 HB2 SER 33 HB2 SER 33 -2.344 -7.105 -0.852
41 HB3 SER 33 HB3 SER 33 -0.802 -6.981 -1.693
42 HG SER 33 HG SER 33 -1.469 -8.278 0.687
43 H CYS 34 H CYS 34 -2.017 -4.035 -1.852
44 HA CYS 34 HA CYS 34 -4.034 -2.791 -0.148
45 HB2 CYS 34 HB2 CYS 34 -2.877 -1.619 -2.057
46 HB3 CYS 34 HB3 CYS 34 -3.784 -2.646 -3.165
47 H SER 35 H SER 35 -6.342 -2.649 -1.451
48 HA SER 35 HA SER 35 -7.294 -5.451 -1.447
49 HB2 SER 35 HB2 SER 35 -8.550 -3.783 -0.136
50 HB3 SER 35 HB3 SER 35 -8.816 -2.829 -1.593
51 HG SER 35 HG SER 35 -10.584 -4.049 -1.536
52 H LEU 36 H LEU 36 -8.259 -2.658 -3.462
53 HA LEU 36 HA LEU 36 -8.317 -4.516 -5.791
54 HB2 LEU 36 HB2 LEU 36 -10.395 -3.217 -5.193
55 HB3 LEU 36 HB3 LEU 36 -9.512 -1.739 -5.577
56 HG LEU 36 HG LEU 36 -9.652 -4.003 -7.561
57 HD11 LEU 36 HD11 LEU 36 -11.896 -3.708 -7.651
58 HD12 LEU 36 HD12 LEU 36 -11.527 -2.159 -8.409
59 HD13 LEU 36 HD13 LEU 36 -11.828 -2.243 -6.673
60 HD21 LEU 36 HD21 LEU 36 -8.955 -1.086 -7.547
61 HD22 LEU 36 HD22 LEU 36 -9.616 -1.785 -9.025
62 HD23 LEU 36 HD23 LEU 36 -8.127 -2.430 -8.334
63 H CYS 37 H CYS 37 -6.104 -4.451 -6.332
64 HA CYS 37 HA CYS 37 -5.097 -2.833 -8.241
65 HB2 CYS 37 HB2 CYS 37 -3.712 -1.124 -6.818
66 HB3 CYS 37 HB3 CYS 37 -5.395 -0.757 -7.190
67 HA PRO 38 HA PRO 38 -2.354 -6.237 -6.794
68 HB2 PRO 38 HB2 PRO 38 -1.310 -5.581 -9.520
69 HB3 PRO 38 HB3 PRO 38 -1.639 -7.163 -8.788
70 HG2 PRO 38 HG2 PRO 38 -3.285 -6.078 -10.588
71 HG3 PRO 38 HG3 PRO 38 -3.881 -7.060 -9.240
72 HD2 PRO 38 HD2 PRO 38 -4.070 -4.122 -9.643
73 HD3 PRO 38 HD3 PRO 38 -5.119 -5.202 -8.700
74 H GLN 39 H GLN 39 -1.461 -4.535 -5.275
75 HA GLN 39 HA GLN 39 1.272 -3.817 -6.120
76 HB2 GLN 39 HB2 GLN 39 1.092 -1.515 -5.873
77 HB3 GLN 39 HB3 GLN 39 -0.488 -1.887 -6.561
78 HG2 GLN 39 HG2 GLN 39 -1.383 -2.072 -4.211
79 HG3 GLN 39 HG3 GLN 39 0.173 -1.473 -3.634
80 HE21 GLN 39 HE21 GLN 39 0.759 0.768 -4.174
81 HE22 GLN 39 HE22 GLN 39 -0.422 1.879 -4.680
82 H ARG 40 H ARG 40 2.690 -3.794 -4.367
83 HA ARG 40 HA ARG 40 1.448 -4.185 -1.673
84 HB2 ARG 40 HB2 ARG 40 3.886 -5.565 -2.837
85 HB3 ARG 40 HB3 ARG 40 3.338 -5.727 -1.168
86 HG2 ARG 40 HG2 ARG 40 1.506 -7.000 -1.744
87 HG3 ARG 40 HG3 ARG 40 1.336 -6.230 -3.322
88 HD2 ARG 40 HD2 ARG 40 2.257 -8.714 -3.111
89 HD3 ARG 40 HD3 ARG 40 2.906 -7.607 -4.319
90 HE ARG 40 HE ARG 40 4.244 -8.264 -1.731
91 HH11 ARG 40 HH11 ARG 40 4.201 -6.981 -4.937
92 HH12 ARG 40 HH12 ARG 40 5.920 -6.792 -5.022
93 HH21 ARG 40 HH21 ARG 40 6.485 -8.019 -1.830
94 HH22 ARG 40 HH22 ARG 40 7.211 -7.378 -3.266
95 H SER 41 H SER 41 2.233 -2.841 -0.110
96 HA SER 41 HA SER 41 4.636 -1.203 -0.805
97 HB2 SER 41 HB2 SER 41 2.913 -0.307 1.419
98 HB3 SER 41 HB3 SER 41 3.606 0.620 0.090
99 HG SER 41 HG SER 41 1.979 -0.162 -1.246
100 H ARG 42 H ARG 42 6.229 -0.888 0.844
101 HA ARG 42 HA ARG 42 6.337 -3.105 2.791
102 HB2 ARG 42 HB2 ARG 42 8.340 -2.565 1.440
103 HB3 ARG 42 HB3 ARG 42 8.370 -0.948 2.144
104 HG2 ARG 42 HG2 ARG 42 8.201 -2.946 4.232
105 HG3 ARG 42 HG3 ARG 42 9.584 -3.267 3.185
106 HD2 ARG 42 HD2 ARG 42 8.956 -0.649 4.578
107 HD3 ARG 42 HD3 ARG 42 10.269 -1.758 4.975
108 HE ARG 42 HE ARG 42 10.326 -0.807 2.208
109 HH11 ARG 42 HH11 ARG 42 11.220 -0.291 5.497
110 HH12 ARG 42 HH12 ARG 42 12.582 0.705 5.111
111 HH21 ARG 42 HH21 ARG 42 12.100 0.492 1.683
112 HH22 ARG 42 HH22 ARG 42 13.080 1.150 2.952
113 H ASP 43 H ASP 43 5.572 0.259 2.712
114 HA ASP 43 HA ASP 43 5.269 0.209 5.671
115 HB2 ASP 43 HB2 ASP 43 7.375 1.542 4.466
116 HB3 ASP 43 HB3 ASP 43 6.163 2.810 4.650
117 H PHE 44 H PHE 44 3.497 1.434 6.393
118 HA PHE 44 HA PHE 44 1.351 1.863 4.589
119 HB2 PHE 44 HB2 PHE 44 1.382 1.710 7.206
120 HB3 PHE 44 HB3 PHE 44 1.595 3.459 7.127
121 HD1 PHE 44 HD1 PHE 44 -0.474 0.835 5.404
122 HD2 PHE 44 HD2 PHE 44 -0.352 4.723 7.226
123 HE1 PHE 44 HE1 PHE 44 -2.901 1.112 4.975
124 HE2 PHE 44 HE2 PHE 44 -2.779 5.001 6.795
125 HZ PHE 44 HZ PHE 44 -4.053 3.195 5.670
126 H SER 45 H SER 45 3.884 4.060 5.731
127 HA SER 45 HA SER 45 2.870 6.531 4.901
128 HB2 SER 45 HB2 SER 45 5.041 7.308 5.033
129 HB3 SER 45 HB3 SER 45 5.244 5.777 5.880
130 HG SER 45 HG SER 45 5.653 4.953 3.625
131 H ALA 46 H ALA 46 4.350 3.980 2.926
132 HA ALA 46 HA ALA 46 4.013 5.570 0.469
133 HB1 ALA 46 HB1 ALA 46 5.476 4.096 -0.442
134 HB2 ALA 46 HB2 ALA 46 4.567 2.706 0.149
135 HB3 ALA 46 HB3 ALA 46 5.722 3.517 1.206
136 H MET 47 H MET 47 2.349 3.055 2.246
137 HA MET 47 HA MET 47 0.625 2.211 0.086
138 HB2 MET 47 HB2 MET 47 1.101 1.040 2.365
139 HB3 MET 47 HB3 MET 47 -0.154 2.109 2.996
140 HG2 MET 47 HG2 MET 47 -1.624 1.282 1.072
141 HG3 MET 47 HG3 MET 47 -0.412 0.026 0.820
142 HE1 MET 47 HE1 MET 47 -2.392 -1.691 1.128
143 HE2 MET 47 HE2 MET 47 -3.507 -0.359 1.464
144 HE3 MET 47 HE3 MET 47 -3.443 -1.751 2.542
145 H THR 48 H THR 48 0.585 4.857 2.379
146 HA THR 48 HA THR 48 -2.194 5.548 2.086
147 HB THR 48 HB THR 48 -1.413 7.821 2.878
148 HG1 THR 48 HG1 THR 48 0.705 8.117 3.250
149 HG21 THR 48 HG21 THR 48 -1.710 5.458 4.247
150 HG22 THR 48 HG22 THR 48 -1.490 7.036 5.004
151 HG23 THR 48 HG23 THR 48 -0.103 5.974 4.757
152 H LYS 49 H LYS 49 0.760 6.856 0.537
153 HA LYS 49 HA LYS 49 -0.495 8.682 -1.208
154 HB2 LYS 49 HB2 LYS 49 1.977 6.968 -1.569
155 HB3 LYS 49 HB3 LYS 49 1.480 8.181 -2.749
156 HG2 LYS 49 HG2 LYS 49 1.336 9.512 -0.297
157 HG3 LYS 49 HG3 LYS 49 2.807 8.547 -0.181
158 HD2 LYS 49 HD2 LYS 49 3.668 9.491 -2.236
159 HD3 LYS 49 HD3 LYS 49 2.144 10.325 -2.542
160 HE2 LYS 49 HE2 LYS 49 2.715 11.260 -0.054
161 HE3 LYS 49 HE3 LYS 49 4.344 11.033 -0.690
162 HZ1 LYS 49 HZ1 LYS 49 3.262 13.249 -1.137
163 HZ2 LYS 49 HZ2 LYS 49 2.232 12.439 -2.213
164 HZ3 LYS 49 HZ3 LYS 49 3.908 12.447 -2.489
165 H HIS 50 H HIS 50 0.005 5.197 -1.500
166 HA HIS 50 HA HIS 50 -0.856 4.808 -4.152
167 HB2 HIS 50 HB2 HIS 50 -0.125 2.823 -3.227
168 HB3 HIS 50 HB3 HIS 50 -0.867 3.159 -1.663
169 HD1 HIS 50 HD1 HIS 50 -2.980 3.550 -4.691
170 HD2 HIS 50 HD2 HIS 50 -2.262 0.620 -1.815
171 HE1 HIS 50 HE1 HIS 50 -4.844 1.863 -4.914
172 H LEU 51 H LEU 51 -2.789 5.130 -1.168
173 HA LEU 51 HA LEU 51 -5.310 4.744 -2.559
174 HB2 LEU 51 HB2 LEU 51 -5.303 6.324 -0.049
175 HB3 LEU 51 HB3 LEU 51 -6.267 4.914 -0.490
176 HG LEU 51 HG LEU 51 -3.354 4.893 0.350
177 HD11 LEU 51 HD11 LEU 51 -4.863 3.223 1.993
178 HD12 LEU 51 HD12 LEU 51 -5.893 4.637 1.769
179 HD13 LEU 51 HD13 LEU 51 -4.264 4.826 2.417
180 HD21 LEU 51 HD21 LEU 51 -5.160 2.863 -0.894
181 HD22 LEU 51 HD22 LEU 51 -4.071 2.311 0.378
182 HD23 LEU 51 HD23 LEU 51 -3.418 3.073 -1.072
183 H ARG 52 H ARG 52 -3.399 7.556 -1.540
184 HA ARG 52 HA ARG 52 -5.350 9.492 -2.477
185 HB2 ARG 52 HB2 ARG 52 -3.430 9.849 -0.770
186 HB3 ARG 52 HB3 ARG 52 -2.390 10.015 -2.185
187 HG2 ARG 52 HG2 ARG 52 -3.002 12.213 -2.024
188 HG3 ARG 52 HG3 ARG 52 -4.417 11.652 -2.915
189 HD2 ARG 52 HD2 ARG 52 -5.220 12.911 -1.023
190 HD3 ARG 52 HD3 ARG 52 -5.530 11.209 -0.687
191 HE ARG 52 HE ARG 52 -4.072 11.402 1.145
192 HH11 ARG 52 HH11 ARG 52 -3.438 13.801 -1.249
193 HH12 ARG 52 HH12 ARG 52 -2.206 14.591 -0.322
194 HH21 ARG 52 HH21 ARG 52 -2.467 12.420 2.369
195 HH22 ARG 52 HH22 ARG 52 -1.656 13.809 1.726
196 H THR 53 H THR 53 -3.021 7.475 -3.962
197 HA THR 53 HA THR 53 -2.982 9.157 -6.424
198 HB THR 53 HB THR 53 -0.893 7.943 -5.197
199 HG1 THR 53 HG1 THR 53 -1.133 7.993 -8.013
200 HG21 THR 53 HG21 THR 53 -1.567 5.993 -7.392
201 HG22 THR 53 HG22 THR 53 -2.124 5.716 -5.743
202 HG23 THR 53 HG23 THR 53 -0.398 5.822 -6.084
203 H HIS 54 H HIS 54 -4.664 6.623 -5.045
204 HA HIS 54 HA HIS 54 -5.042 4.571 -6.774
205 HB2 HIS 54 HB2 HIS 54 -6.706 5.931 -4.909
206 HB3 HIS 54 HB3 HIS 54 -7.668 5.659 -6.361
207 HD1 HIS 54 HD1 HIS 54 -6.879 3.000 -7.360
208 HD2 HIS 54 HD2 HIS 54 -7.118 3.752 -3.266
209 HE1 HIS 54 HE1 HIS 54 -7.159 0.749 -6.233
210 H GLY 55 H GLY 55 -6.111 4.194 -8.776
211 HA2 GLY 55 HA2 GLY 55 -7.553 5.172 -10.593
212 HA3 GLY 55 HA3 GLY 55 -6.640 6.666 -10.380
Start of MODEL 8
1 H1 GLU 29 H1 GLU 29 4.144 -13.600 3.796
2 H2 GLU 29 H2 GLU 29 5.607 -12.914 3.271
3 H3 GLU 29 H3 GLU 29 4.714 -13.918 2.230
4 HA GLU 29 HA GLU 29 4.347 -11.690 1.535
5 HB2 GLU 29 HB2 GLU 29 2.379 -13.183 1.522
6 HB3 GLU 29 HB3 GLU 29 2.006 -12.706 3.179
7 HG2 GLU 29 HG2 GLU 29 1.465 -10.497 2.550
8 HG3 GLU 29 HG3 GLU 29 2.285 -10.646 0.995
9 H LYS 30 H LYS 30 4.356 -9.529 2.081
10 HA LYS 30 HA LYS 30 4.978 -8.803 4.817
11 HB2 LYS 30 HB2 LYS 30 4.422 -7.189 2.320
12 HB3 LYS 30 HB3 LYS 30 4.792 -6.437 3.872
13 HG2 LYS 30 HG2 LYS 30 6.925 -6.592 2.981
14 HG3 LYS 30 HG3 LYS 30 6.830 -8.135 3.831
15 HD2 LYS 30 HD2 LYS 30 6.197 -9.284 1.782
16 HD3 LYS 30 HD3 LYS 30 6.119 -7.752 0.909
17 HE2 LYS 30 HE2 LYS 30 8.258 -8.334 0.320
18 HE3 LYS 30 HE3 LYS 30 8.633 -7.575 1.868
19 HZ1 LYS 30 HZ1 LYS 30 8.795 -10.335 1.100
20 HZ2 LYS 30 HZ2 LYS 30 7.952 -10.108 2.554
21 HZ3 LYS 30 HZ3 LYS 30 9.539 -9.523 2.394
22 HA PRO 31 HA PRO 31 0.660 -8.820 6.137
23 HB2 PRO 31 HB2 PRO 31 1.892 -7.196 8.320
24 HB3 PRO 31 HB3 PRO 31 0.821 -8.606 8.429
25 HG2 PRO 31 HG2 PRO 31 3.440 -8.790 8.906
26 HG3 PRO 31 HG3 PRO 31 2.530 -10.100 8.136
27 HD2 PRO 31 HD2 PRO 31 4.478 -8.205 6.923
28 HD3 PRO 31 HD3 PRO 31 4.054 -9.859 6.434
29 H PHE 32 H PHE 32 2.385 -6.364 4.804
30 HA PHE 32 HA PHE 32 0.331 -4.299 5.472
31 HB2 PHE 32 HB2 PHE 32 3.235 -4.191 4.870
32 HB3 PHE 32 HB3 PHE 32 2.254 -2.904 4.165
33 HD1 PHE 32 HD1 PHE 32 2.884 -4.691 7.393
34 HD2 PHE 32 HD2 PHE 32 1.584 -1.074 5.476
35 HE1 PHE 32 HE1 PHE 32 2.776 -3.562 9.599
36 HE2 PHE 32 HE2 PHE 32 1.476 0.056 7.681
37 HZ PHE 32 HZ PHE 32 2.073 -1.188 9.742
38 H SER 33 H SER 33 -0.966 -5.694 3.842
39 HA SER 33 HA SER 33 -0.253 -4.964 1.038
40 HB2 SER 33 HB2 SER 33 -2.466 -6.702 1.022
41 HB3 SER 33 HB3 SER 33 -0.799 -7.110 0.623
42 HG SER 33 HG SER 33 -1.403 -6.932 3.320
43 H CYS 34 H CYS 34 -2.049 -4.196 -0.348
44 HA CYS 34 HA CYS 34 -3.659 -2.211 1.028
45 HB2 CYS 34 HB2 CYS 34 -2.793 -1.857 -1.267
46 HB3 CYS 34 HB3 CYS 34 -3.820 -3.171 -1.844
47 H SER 35 H SER 35 -6.137 -2.168 0.177
48 HA SER 35 HA SER 35 -7.316 -4.638 1.284
49 HB2 SER 35 HB2 SER 35 -8.101 -1.843 1.064
50 HB3 SER 35 HB3 SER 35 -9.390 -2.919 0.535
51 HG SER 35 HG SER 35 -8.723 -2.346 2.990
52 H LEU 36 H LEU 36 -7.611 -2.664 -1.689
53 HA LEU 36 HA LEU 36 -8.561 -5.145 -3.065
54 HB2 LEU 36 HB2 LEU 36 -10.457 -3.633 -2.802
55 HB3 LEU 36 HB3 LEU 36 -9.519 -2.296 -3.468
56 HG LEU 36 HG LEU 36 -9.298 -3.532 -5.605
57 HD11 LEU 36 HD11 LEU 36 -9.433 -5.806 -5.116
58 HD12 LEU 36 HD12 LEU 36 -11.049 -5.501 -5.752
59 HD13 LEU 36 HD13 LEU 36 -10.790 -5.591 -4.010
60 HD21 LEU 36 HD21 LEU 36 -11.411 -2.085 -4.770
61 HD22 LEU 36 HD22 LEU 36 -12.229 -3.620 -5.064
62 HD23 LEU 36 HD23 LEU 36 -11.351 -2.823 -6.370
63 H CYS 37 H CYS 37 -6.463 -5.568 -3.886
64 HA CYS 37 HA CYS 37 -5.688 -4.894 -6.367
65 HB2 CYS 37 HB2 CYS 37 -4.003 -2.946 -5.949
66 HB3 CYS 37 HB3 CYS 37 -5.709 -2.551 -6.156
67 HA PRO 38 HA PRO 38 -2.424 -7.444 -4.738
68 HB2 PRO 38 HB2 PRO 38 -1.095 -7.893 -7.076
69 HB3 PRO 38 HB3 PRO 38 -2.638 -8.674 -6.677
70 HG2 PRO 38 HG2 PRO 38 -2.094 -6.359 -8.459
71 HG3 PRO 38 HG3 PRO 38 -3.256 -7.682 -8.647
72 HD2 PRO 38 HD2 PRO 38 -3.941 -5.157 -7.771
73 HD3 PRO 38 HD3 PRO 38 -4.862 -6.626 -7.380
74 H GLN 39 H GLN 39 -1.558 -5.398 -3.621
75 HA GLN 39 HA GLN 39 1.161 -4.878 -4.644
76 HB2 GLN 39 HB2 GLN 39 0.947 -2.466 -4.597
77 HB3 GLN 39 HB3 GLN 39 -0.317 -3.105 -5.648
78 HG2 GLN 39 HG2 GLN 39 -1.926 -2.985 -3.768
79 HG3 GLN 39 HG3 GLN 39 -0.662 -2.300 -2.745
80 HE21 GLN 39 HE21 GLN 39 0.492 -0.294 -3.964
81 HE22 GLN 39 HE22 GLN 39 -0.590 0.817 -4.654
82 H ARG 40 H ARG 40 2.599 -4.418 -2.963
83 HA ARG 40 HA ARG 40 1.391 -4.267 -0.229
84 HB2 ARG 40 HB2 ARG 40 4.114 -5.364 -0.384
85 HB3 ARG 40 HB3 ARG 40 2.708 -5.968 0.493
86 HG2 ARG 40 HG2 ARG 40 2.957 -7.650 -1.081
87 HG3 ARG 40 HG3 ARG 40 1.861 -6.575 -1.949
88 HD2 ARG 40 HD2 ARG 40 3.648 -7.152 -3.462
89 HD3 ARG 40 HD3 ARG 40 3.894 -5.477 -2.973
90 HE ARG 40 HE ARG 40 5.379 -7.713 -1.654
91 HH11 ARG 40 HH11 ARG 40 5.167 -4.636 -3.212
92 HH12 ARG 40 HH12 ARG 40 6.832 -4.246 -2.951
93 HH21 ARG 40 HH21 ARG 40 7.554 -7.213 -1.312
94 HH22 ARG 40 HH22 ARG 40 8.182 -5.701 -1.878
95 H SER 41 H SER 41 2.522 -2.932 1.288
96 HA SER 41 HA SER 41 4.587 -1.148 0.063
97 HB2 SER 41 HB2 SER 41 3.606 0.672 1.521
98 HB3 SER 41 HB3 SER 41 2.552 0.134 0.216
99 HG SER 41 HG SER 41 1.333 0.146 2.059
100 H ARG 42 H ARG 42 5.403 0.265 2.216
101 HA ARG 42 HA ARG 42 6.256 -1.844 4.162
102 HB2 ARG 42 HB2 ARG 42 7.754 0.556 3.076
103 HB3 ARG 42 HB3 ARG 42 8.306 -0.380 4.465
104 HG2 ARG 42 HG2 ARG 42 7.624 -2.211 2.375
105 HG3 ARG 42 HG3 ARG 42 8.674 -0.967 1.695
106 HD2 ARG 42 HD2 ARG 42 10.159 -1.336 3.769
107 HD3 ARG 42 HD3 ARG 42 9.229 -2.814 4.018
108 HE ARG 42 HE ARG 42 10.351 -2.514 1.321
109 HH11 ARG 42 HH11 ARG 42 10.683 -3.680 4.547
110 HH12 ARG 42 HH12 ARG 42 11.841 -4.899 4.129
111 HH21 ARG 42 HH21 ARG 42 11.859 -4.099 0.755
112 HH22 ARG 42 HH22 ARG 42 12.506 -5.137 1.981
113 H ASP 43 H ASP 43 6.030 1.727 3.931
114 HA ASP 43 HA ASP 43 5.037 1.710 6.752
115 HB2 ASP 43 HB2 ASP 43 7.235 2.988 5.902
116 HB3 ASP 43 HB3 ASP 43 6.042 4.218 5.486
117 H PHE 44 H PHE 44 3.427 3.469 7.227
118 HA PHE 44 HA PHE 44 1.235 3.384 5.399
119 HB2 PHE 44 HB2 PHE 44 1.266 3.933 7.948
120 HB3 PHE 44 HB3 PHE 44 1.575 5.589 7.424
121 HD1 PHE 44 HD1 PHE 44 -0.764 2.714 6.929
122 HD2 PHE 44 HD2 PHE 44 -0.190 6.964 6.679
123 HE1 PHE 44 HE1 PHE 44 -3.176 3.012 6.433
124 HE2 PHE 44 HE2 PHE 44 -2.601 7.260 6.183
125 HZ PHE 44 HZ PHE 44 -4.094 5.285 6.059
126 H SER 45 H SER 45 3.869 5.688 5.834
127 HA SER 45 HA SER 45 2.880 7.879 4.366
128 HB2 SER 45 HB2 SER 45 5.402 8.084 3.660
129 HB3 SER 45 HB3 SER 45 4.961 8.267 5.355
130 HG SER 45 HG SER 45 6.687 6.613 4.435
131 H ALA 46 H ALA 46 4.525 4.947 3.166
132 HA ALA 46 HA ALA 46 4.229 5.774 0.379
133 HB1 ALA 46 HB1 ALA 46 4.682 2.913 0.915
134 HB2 ALA 46 HB2 ALA 46 5.857 3.980 1.685
135 HB3 ALA 46 HB3 ALA 46 5.627 4.037 -0.063
136 H MET 47 H MET 47 2.625 3.451 2.554
137 HA MET 47 HA MET 47 0.862 2.308 0.643
138 HB2 MET 47 HB2 MET 47 1.218 1.533 3.031
139 HB3 MET 47 HB3 MET 47 0.186 2.869 3.543
140 HG2 MET 47 HG2 MET 47 -1.709 1.982 2.438
141 HG3 MET 47 HG3 MET 47 -0.731 0.892 1.456
142 HE1 MET 47 HE1 MET 47 -3.155 0.330 2.631
143 HE2 MET 47 HE2 MET 47 -3.297 0.274 4.393
144 HE3 MET 47 HE3 MET 47 -3.045 -1.210 3.477
145 H THR 48 H THR 48 0.809 5.404 2.274
146 HA THR 48 HA THR 48 -1.961 6.022 1.778
147 HB THR 48 HB THR 48 -1.095 8.433 2.002
148 HG1 THR 48 HG1 THR 48 1.004 8.302 1.537
149 HG21 THR 48 HG21 THR 48 -1.738 8.037 4.118
150 HG22 THR 48 HG22 THR 48 -0.137 7.383 4.463
151 HG23 THR 48 HG23 THR 48 -1.425 6.315 3.908
152 H LYS 49 H LYS 49 1.037 6.934 0.041
153 HA LYS 49 HA LYS 49 -0.146 8.372 -2.071
154 HB2 LYS 49 HB2 LYS 49 2.269 6.540 -2.051
155 HB3 LYS 49 HB3 LYS 49 1.827 7.533 -3.440
156 HG2 LYS 49 HG2 LYS 49 1.712 9.324 -1.323
157 HG3 LYS 49 HG3 LYS 49 3.109 8.321 -0.929
158 HD2 LYS 49 HD2 LYS 49 3.972 10.071 -2.292
159 HD3 LYS 49 HD3 LYS 49 3.848 8.675 -3.363
160 HE2 LYS 49 HE2 LYS 49 1.991 9.529 -4.485
161 HE3 LYS 49 HE3 LYS 49 1.524 10.560 -3.132
162 HZ1 LYS 49 HZ1 LYS 49 2.442 12.083 -4.544
163 HZ2 LYS 49 HZ2 LYS 49 3.578 10.996 -5.180
164 HZ3 LYS 49 HZ3 LYS 49 3.816 11.664 -3.636
165 H HIS 50 H HIS 50 0.241 4.894 -1.617
166 HA HIS 50 HA HIS 50 -0.614 3.999 -4.154
167 HB2 HIS 50 HB2 HIS 50 0.122 2.248 -2.830
168 HB3 HIS 50 HB3 HIS 50 -0.673 2.873 -1.383
169 HD1 HIS 50 HD1 HIS 50 -2.794 2.751 -4.396
170 HD2 HIS 50 HD2 HIS 50 -1.945 0.234 -1.186
171 HE1 HIS 50 HE1 HIS 50 -4.610 0.998 -4.366
172 H LEU 51 H LEU 51 -2.548 4.870 -1.275
173 HA LEU 51 HA LEU 51 -5.070 4.257 -2.564
174 HB2 LEU 51 HB2 LEU 51 -5.108 6.312 -0.447
175 HB3 LEU 51 HB3 LEU 51 -5.995 4.792 -0.556
176 HG LEU 51 HG LEU 51 -3.073 5.074 0.202
177 HD11 LEU 51 HD11 LEU 51 -5.614 4.706 1.765
178 HD12 LEU 51 HD12 LEU 51 -4.248 5.769 2.102
179 HD13 LEU 51 HD13 LEU 51 -4.102 4.033 2.375
180 HD21 LEU 51 HD21 LEU 51 -3.846 2.561 0.921
181 HD22 LEU 51 HD22 LEU 51 -3.052 2.937 -0.609
182 HD23 LEU 51 HD23 LEU 51 -4.808 2.791 -0.539
183 H ARG 52 H ARG 52 -3.082 7.165 -2.224
184 HA ARG 52 HA ARG 52 -5.051 8.897 -3.498
185 HB2 ARG 52 HB2 ARG 52 -2.081 9.250 -2.974
186 HB3 ARG 52 HB3 ARG 52 -3.137 10.513 -3.609
187 HG2 ARG 52 HG2 ARG 52 -4.115 9.169 -1.160
188 HG3 ARG 52 HG3 ARG 52 -2.661 10.146 -0.954
189 HD2 ARG 52 HD2 ARG 52 -5.050 11.222 -2.444
190 HD3 ARG 52 HD3 ARG 52 -4.955 11.324 -0.686
191 HE ARG 52 HE ARG 52 -2.517 12.336 -1.636
192 HH11 ARG 52 HH11 ARG 52 -5.892 12.970 -1.946
193 HH12 ARG 52 HH12 ARG 52 -5.686 14.672 -2.186
194 HH21 ARG 52 HH21 ARG 52 -2.228 14.556 -1.948
195 HH22 ARG 52 HH22 ARG 52 -3.611 15.571 -2.186
196 H THR 53 H THR 53 -2.554 6.726 -4.531
197 HA THR 53 HA THR 53 -2.551 7.843 -7.279
198 HB THR 53 HB THR 53 -0.512 6.812 -5.843
199 HG1 THR 53 HG1 THR 53 -0.486 6.084 -8.516
200 HG21 THR 53 HG21 THR 53 -1.266 4.471 -7.576
201 HG22 THR 53 HG22 THR 53 -1.852 4.575 -5.917
202 HG23 THR 53 HG23 THR 53 -0.120 4.535 -6.238
203 H HIS 54 H HIS 54 -4.283 5.620 -5.443
204 HA HIS 54 HA HIS 54 -4.769 3.333 -6.804
205 HB2 HIS 54 HB2 HIS 54 -6.355 5.053 -5.174
206 HB3 HIS 54 HB3 HIS 54 -7.352 4.550 -6.538
207 HD1 HIS 54 HD1 HIS 54 -6.545 1.724 -7.039
208 HD2 HIS 54 HD2 HIS 54 -6.887 3.231 -3.168
209 HE1 HIS 54 HE1 HIS 54 -6.892 -0.273 -5.522
210 H GLY 55 H GLY 55 -6.207 6.452 -7.836
211 HA2 GLY 55 HA2 GLY 55 -5.717 5.997 -10.612
212 HA3 GLY 55 HA3 GLY 55 -7.364 5.491 -10.240
Start of MODEL 9
1 H1 GLU 29 H1 GLU 29 6.486 -5.655 10.868
2 H2 GLU 29 H2 GLU 29 5.177 -6.512 10.205
3 H3 GLU 29 H3 GLU 29 6.253 -5.677 9.188
4 HA GLU 29 HA GLU 29 8.058 -7.177 10.061
5 HB2 GLU 29 HB2 GLU 29 5.571 -8.424 11.213
6 HB3 GLU 29 HB3 GLU 29 6.966 -9.425 10.807
7 HG2 GLU 29 HG2 GLU 29 6.789 -8.427 13.217
8 HG3 GLU 29 HG3 GLU 29 8.342 -8.373 12.384
9 H LYS 30 H LYS 30 4.924 -7.465 8.508
10 HA LYS 30 HA LYS 30 6.266 -8.953 6.290
11 HB2 LYS 30 HB2 LYS 30 3.474 -9.434 7.380
12 HB3 LYS 30 HB3 LYS 30 4.149 -10.206 5.944
13 HG2 LYS 30 HG2 LYS 30 4.968 -11.808 7.303
14 HG3 LYS 30 HG3 LYS 30 6.082 -10.596 7.935
15 HD2 LYS 30 HD2 LYS 30 4.951 -11.435 9.849
16 HD3 LYS 30 HD3 LYS 30 4.170 -9.893 9.502
17 HE2 LYS 30 HE2 LYS 30 2.855 -11.914 7.965
18 HE3 LYS 30 HE3 LYS 30 2.969 -12.481 9.630
19 HZ1 LYS 30 HZ1 LYS 30 1.242 -10.554 8.582
20 HZ2 LYS 30 HZ2 LYS 30 2.290 -9.762 9.653
21 HZ3 LYS 30 HZ3 LYS 30 1.368 -11.085 10.190
22 HA PRO 31 HA PRO 31 4.655 -5.731 3.745
23 HB2 PRO 31 HB2 PRO 31 4.362 -7.114 1.379
24 HB3 PRO 31 HB3 PRO 31 5.916 -6.528 2.001
25 HG2 PRO 31 HG2 PRO 31 4.750 -9.258 2.085
26 HG3 PRO 31 HG3 PRO 31 6.434 -8.750 1.868
27 HD2 PRO 31 HD2 PRO 31 5.459 -9.711 4.242
28 HD3 PRO 31 HD3 PRO 31 6.813 -8.564 4.139
29 H PHE 32 H PHE 32 2.664 -4.957 2.901
30 HA PHE 32 HA PHE 32 0.380 -6.885 3.066
31 HB2 PHE 32 HB2 PHE 32 0.673 -4.091 4.133
32 HB3 PHE 32 HB3 PHE 32 -0.921 -4.681 3.662
33 HD1 PHE 32 HD1 PHE 32 -1.329 -7.256 4.481
34 HD2 PHE 32 HD2 PHE 32 1.227 -4.367 6.371
35 HE1 PHE 32 HE1 PHE 32 -1.503 -8.501 6.620
36 HE2 PHE 32 HE2 PHE 32 1.054 -5.613 8.509
37 HZ PHE 32 HZ PHE 32 -0.311 -7.679 8.633
38 H SER 33 H SER 33 -0.959 -6.905 1.300
39 HA SER 33 HA SER 33 -0.260 -5.104 -0.944
40 HB2 SER 33 HB2 SER 33 -1.163 -6.703 -2.344
41 HB3 SER 33 HB3 SER 33 -0.740 -7.735 -0.981
42 HG SER 33 HG SER 33 -3.214 -6.882 -1.896
43 H CYS 34 H CYS 34 -2.155 -4.161 -2.204
44 HA CYS 34 HA CYS 34 -3.864 -2.696 -0.365
45 HB2 CYS 34 HB2 CYS 34 -3.090 -1.597 -2.390
46 HB3 CYS 34 HB3 CYS 34 -3.828 -2.848 -3.393
47 H SER 35 H SER 35 -6.336 -2.560 -1.195
48 HA SER 35 HA SER 35 -7.399 -5.261 -0.752
49 HB2 SER 35 HB2 SER 35 -9.203 -4.173 0.076
50 HB3 SER 35 HB3 SER 35 -8.243 -2.703 -0.073
51 HG SER 35 HG SER 35 -9.866 -2.191 -1.347
52 H LEU 36 H LEU 36 -7.564 -2.773 -3.316
53 HA LEU 36 HA LEU 36 -8.259 -4.966 -5.213
54 HB2 LEU 36 HB2 LEU 36 -10.279 -3.540 -4.460
55 HB3 LEU 36 HB3 LEU 36 -9.546 -2.244 -5.408
56 HG LEU 36 HG LEU 36 -9.999 -4.986 -6.584
57 HD11 LEU 36 HD11 LEU 36 -12.078 -3.914 -7.606
58 HD12 LEU 36 HD12 LEU 36 -11.920 -2.657 -6.378
59 HD13 LEU 36 HD13 LEU 36 -12.194 -4.333 -5.897
60 HD21 LEU 36 HD21 LEU 36 -9.425 -2.207 -7.602
61 HD22 LEU 36 HD22 LEU 36 -10.167 -3.411 -8.655
62 HD23 LEU 36 HD23 LEU 36 -8.575 -3.709 -7.959
63 H CYS 37 H CYS 37 -6.135 -4.898 -6.054
64 HA CYS 37 HA CYS 37 -5.497 -3.539 -8.291
65 HB2 CYS 37 HB2 CYS 37 -4.027 -1.588 -7.337
66 HB3 CYS 37 HB3 CYS 37 -5.763 -1.344 -7.523
67 HA PRO 38 HA PRO 38 -1.905 -5.988 -7.412
68 HB2 PRO 38 HB2 PRO 38 -0.481 -5.431 -9.677
69 HB3 PRO 38 HB3 PRO 38 -1.887 -6.514 -9.654
70 HG2 PRO 38 HG2 PRO 38 -1.689 -3.686 -10.547
71 HG3 PRO 38 HG3 PRO 38 -2.637 -5.023 -11.219
72 HD2 PRO 38 HD2 PRO 38 -3.703 -3.048 -9.616
73 HD3 PRO 38 HD3 PRO 38 -4.393 -4.679 -9.770
74 H GLN 39 H GLN 39 -1.374 -4.329 -5.626
75 HA GLN 39 HA GLN 39 1.266 -3.157 -6.233
76 HB2 GLN 39 HB2 GLN 39 0.748 -0.944 -5.659
77 HB3 GLN 39 HB3 GLN 39 -0.666 -1.429 -6.597
78 HG2 GLN 39 HG2 GLN 39 -1.682 -2.157 -4.338
79 HG3 GLN 39 HG3 GLN 39 -0.398 -1.197 -3.600
80 HE21 GLN 39 HE21 GLN 39 -0.213 1.122 -4.789
81 HE22 GLN 39 HE22 GLN 39 -1.699 1.912 -5.014
82 H ARG 40 H ARG 40 2.600 -3.177 -4.425
83 HA ARG 40 HA ARG 40 1.325 -3.942 -1.832
84 HB2 ARG 40 HB2 ARG 40 3.756 -5.135 -1.643
85 HB3 ARG 40 HB3 ARG 40 2.314 -5.967 -2.226
86 HG2 ARG 40 HG2 ARG 40 4.150 -6.315 -3.803
87 HG3 ARG 40 HG3 ARG 40 2.911 -5.308 -4.552
88 HD2 ARG 40 HD2 ARG 40 4.278 -3.495 -4.662
89 HD3 ARG 40 HD3 ARG 40 4.958 -3.799 -3.063
90 HE ARG 40 HE ARG 40 6.146 -4.603 -5.561
91 HH11 ARG 40 HH11 ARG 40 5.539 -5.565 -2.307
92 HH12 ARG 40 HH12 ARG 40 6.937 -6.583 -2.206
93 HH21 ARG 40 HH21 ARG 40 7.975 -5.927 -5.449
94 HH22 ARG 40 HH22 ARG 40 8.316 -6.788 -3.986
95 H SER 41 H SER 41 2.494 -3.212 0.058
96 HA SER 41 HA SER 41 4.671 -1.248 -0.468
97 HB2 SER 41 HB2 SER 41 2.903 -0.327 1.641
98 HB3 SER 41 HB3 SER 41 3.454 0.526 0.201
99 HG SER 41 HG SER 41 1.384 0.305 -0.261
100 H ARG 42 H ARG 42 5.850 -0.697 1.578
101 HA ARG 42 HA ARG 42 5.892 -3.073 3.378
102 HB2 ARG 42 HB2 ARG 42 7.932 -1.210 2.330
103 HB3 ARG 42 HB3 ARG 42 8.118 -1.626 4.033
104 HG2 ARG 42 HG2 ARG 42 8.513 -3.855 3.591
105 HG3 ARG 42 HG3 ARG 42 7.528 -3.847 2.127
106 HD2 ARG 42 HD2 ARG 42 10.119 -3.997 1.879
107 HD3 ARG 42 HD3 ARG 42 9.235 -2.888 0.829
108 HE ARG 42 HE ARG 42 10.141 -1.048 2.066
109 HH11 ARG 42 HH11 ARG 42 10.912 -4.143 3.373
110 HH12 ARG 42 HH12 ARG 42 12.142 -3.538 4.432
111 HH21 ARG 42 HH21 ARG 42 11.739 -0.238 3.445
112 HH22 ARG 42 HH22 ARG 42 12.610 -1.327 4.473
113 H ASP 43 H ASP 43 5.646 0.452 3.353
114 HA ASP 43 HA ASP 43 4.890 0.315 6.246
115 HB2 ASP 43 HB2 ASP 43 7.117 1.507 5.572
116 HB3 ASP 43 HB3 ASP 43 6.057 2.786 4.980
117 H PHE 44 H PHE 44 3.000 1.413 6.804
118 HA PHE 44 HA PHE 44 0.970 1.824 4.940
119 HB2 PHE 44 HB2 PHE 44 0.897 1.910 7.545
120 HB3 PHE 44 HB3 PHE 44 1.197 3.636 7.335
121 HD1 PHE 44 HD1 PHE 44 -0.928 1.013 5.676
122 HD2 PHE 44 HD2 PHE 44 -0.708 4.964 7.349
123 HE1 PHE 44 HE1 PHE 44 -3.323 1.372 5.145
124 HE2 PHE 44 HE2 PHE 44 -3.103 5.321 6.818
125 HZ PHE 44 HZ PHE 44 -4.411 3.526 5.716
126 H SER 45 H SER 45 3.533 4.051 5.902
127 HA SER 45 HA SER 45 2.603 6.466 4.842
128 HB2 SER 45 HB2 SER 45 5.008 6.983 4.368
129 HB3 SER 45 HB3 SER 45 4.752 6.326 5.981
130 HG SER 45 HG SER 45 5.984 5.208 3.748
131 H ALA 46 H ALA 46 4.488 3.989 3.066
132 HA ALA 46 HA ALA 46 4.023 5.255 0.502
133 HB1 ALA 46 HB1 ALA 46 5.266 2.735 1.482
134 HB2 ALA 46 HB2 ALA 46 5.879 3.914 0.323
135 HB3 ALA 46 HB3 ALA 46 4.678 2.724 -0.180
136 H MET 47 H MET 47 2.338 2.865 2.433
137 HA MET 47 HA MET 47 0.651 1.884 0.290
138 HB2 MET 47 HB2 MET 47 1.157 0.906 2.708
139 HB3 MET 47 HB3 MET 47 -0.255 1.870 3.146
140 HG2 MET 47 HG2 MET 47 -1.658 0.699 1.620
141 HG3 MET 47 HG3 MET 47 -0.280 -0.036 0.800
142 HE1 MET 47 HE1 MET 47 -2.771 -2.384 2.731
143 HE2 MET 47 HE2 MET 47 -1.588 -2.889 1.516
144 HE3 MET 47 HE3 MET 47 -2.507 -1.402 1.292
145 H THR 48 H THR 48 0.590 4.658 2.407
146 HA THR 48 HA THR 48 -2.224 5.257 2.071
147 HB THR 48 HB THR 48 -1.220 7.662 2.652
148 HG1 THR 48 HG1 THR 48 0.706 7.396 3.804
149 HG21 THR 48 HG21 THR 48 -1.709 5.240 4.338
150 HG22 THR 48 HG22 THR 48 -2.606 6.757 4.270
151 HG23 THR 48 HG23 THR 48 -1.058 6.686 5.112
152 H LYS 49 H LYS 49 0.752 6.531 0.539
153 HA LYS 49 HA LYS 49 -0.446 8.366 -1.225
154 HB2 LYS 49 HB2 LYS 49 1.957 6.556 -1.576
155 HB3 LYS 49 HB3 LYS 49 1.489 7.752 -2.787
156 HG2 LYS 49 HG2 LYS 49 1.704 8.663 0.050
157 HG3 LYS 49 HG3 LYS 49 3.202 8.358 -0.829
158 HD2 LYS 49 HD2 LYS 49 2.516 9.890 -2.605
159 HD3 LYS 49 HD3 LYS 49 0.960 10.146 -1.814
160 HE2 LYS 49 HE2 LYS 49 1.969 11.909 -0.805
161 HE3 LYS 49 HE3 LYS 49 2.744 10.696 0.214
162 HZ1 LYS 49 HZ1 LYS 49 4.546 10.579 -1.443
163 HZ2 LYS 49 HZ2 LYS 49 4.410 12.111 -0.727
164 HZ3 LYS 49 HZ3 LYS 49 3.819 11.855 -2.300
165 H HIS 50 H HIS 50 -0.109 4.867 -1.446
166 HA HIS 50 HA HIS 50 -0.976 4.427 -4.079
167 HB2 HIS 50 HB2 HIS 50 -0.443 2.413 -3.124
168 HB3 HIS 50 HB3 HIS 50 -1.041 2.896 -1.536
169 HD1 HIS 50 HD1 HIS 50 -3.204 3.188 -4.580
170 HD2 HIS 50 HD2 HIS 50 -2.774 0.637 -1.311
171 HE1 HIS 50 HE1 HIS 50 -5.253 1.711 -4.555
172 H LEU 51 H LEU 51 -2.976 4.787 -1.121
173 HA LEU 51 HA LEU 51 -5.485 4.576 -2.503
174 HB2 LEU 51 HB2 LEU 51 -4.715 5.898 0.113
175 HB3 LEU 51 HB3 LEU 51 -6.380 5.802 -0.461
176 HG LEU 51 HG LEU 51 -6.032 3.286 -0.666
177 HD11 LEU 51 HD11 LEU 51 -3.500 4.104 0.755
178 HD12 LEU 51 HD12 LEU 51 -3.675 3.051 -0.647
179 HD13 LEU 51 HD13 LEU 51 -4.177 2.488 0.947
180 HD21 LEU 51 HD21 LEU 51 -6.998 4.737 1.364
181 HD22 LEU 51 HD22 LEU 51 -5.602 4.048 2.192
182 HD23 LEU 51 HD23 LEU 51 -6.821 2.987 1.487
183 H ARG 52 H ARG 52 -3.371 7.314 -1.722
184 HA ARG 52 HA ARG 52 -5.192 9.304 -2.810
185 HB2 ARG 52 HB2 ARG 52 -3.323 9.748 -1.130
186 HB3 ARG 52 HB3 ARG 52 -2.191 9.566 -2.471
187 HG2 ARG 52 HG2 ARG 52 -3.711 11.316 -3.674
188 HG3 ARG 52 HG3 ARG 52 -4.283 11.687 -2.047
189 HD2 ARG 52 HD2 ARG 52 -1.520 11.573 -1.752
190 HD3 ARG 52 HD3 ARG 52 -1.738 12.363 -3.314
191 HE ARG 52 HE ARG 52 -3.537 13.633 -1.587
192 HH11 ARG 52 HH11 ARG 52 -0.151 13.007 -1.781
193 HH12 ARG 52 HH12 ARG 52 0.300 14.456 -0.945
194 HH21 ARG 52 HH21 ARG 52 -2.967 15.529 -0.496
195 HH22 ARG 52 HH22 ARG 52 -1.295 15.884 -0.219
196 H THR 53 H THR 53 -2.905 7.069 -4.088
197 HA THR 53 HA THR 53 -2.755 8.517 -6.679
198 HB THR 53 HB THR 53 -0.846 7.102 -5.299
199 HG1 THR 53 HG1 THR 53 -0.781 7.078 -8.094
200 HG21 THR 53 HG21 THR 53 -1.692 5.279 -7.552
201 HG22 THR 53 HG22 THR 53 -2.228 5.014 -5.894
202 HG23 THR 53 HG23 THR 53 -0.510 4.969 -6.281
203 H HIS 54 H HIS 54 -4.618 6.176 -5.121
204 HA HIS 54 HA HIS 54 -5.211 4.117 -6.792
205 HB2 HIS 54 HB2 HIS 54 -6.692 5.630 -4.886
206 HB3 HIS 54 HB3 HIS 54 -7.732 5.397 -6.289
207 HD1 HIS 54 HD1 HIS 54 -7.088 2.653 -7.245
208 HD2 HIS 54 HD2 HIS 54 -7.280 3.542 -3.176
209 HE1 HIS 54 HE1 HIS 54 -7.515 0.458 -6.053
210 H GLY 55 H GLY 55 -6.517 7.414 -7.309
211 HA2 GLY 55 HA2 GLY 55 -6.178 8.157 -9.760
212 HA3 GLY 55 HA3 GLY 55 -7.001 6.647 -10.155
Start of MODEL 10
1 H1 GLU 29 H1 GLU 29 5.603 -13.203 9.187
2 H2 GLU 29 H2 GLU 29 4.302 -12.884 8.143
3 H3 GLU 29 H3 GLU 29 4.299 -12.261 9.724
4 HA GLU 29 HA GLU 29 5.020 -10.397 8.719
5 HB2 GLU 29 HB2 GLU 29 7.488 -12.147 8.882
6 HB3 GLU 29 HB3 GLU 29 7.553 -10.418 8.536
7 HG2 GLU 29 HG2 GLU 29 7.606 -10.128 10.780
8 HG3 GLU 29 HG3 GLU 29 5.893 -10.544 10.749
9 H LYS 30 H LYS 30 3.920 -10.430 6.675
10 HA LYS 30 HA LYS 30 5.722 -11.110 4.391
11 HB2 LYS 30 HB2 LYS 30 3.560 -11.663 3.131
12 HB3 LYS 30 HB3 LYS 30 4.070 -12.831 4.350
13 HG2 LYS 30 HG2 LYS 30 2.418 -12.168 5.870
14 HG3 LYS 30 HG3 LYS 30 2.217 -10.590 5.111
15 HD2 LYS 30 HD2 LYS 30 1.027 -11.505 3.269
16 HD3 LYS 30 HD3 LYS 30 1.525 -13.150 3.665
17 HE2 LYS 30 HE2 LYS 30 -0.342 -11.399 5.290
18 HE3 LYS 30 HE3 LYS 30 -0.791 -12.829 4.360
19 HZ1 LYS 30 HZ1 LYS 30 1.148 -13.814 5.893
20 HZ2 LYS 30 HZ2 LYS 30 -0.493 -13.847 6.324
21 HZ3 LYS 30 HZ3 LYS 30 0.521 -12.630 6.939
22 HA PRO 31 HA PRO 31 5.337 -7.010 2.858
23 HB2 PRO 31 HB2 PRO 31 4.257 -8.273 0.368
24 HB3 PRO 31 HB3 PRO 31 5.561 -7.085 0.555
25 HG2 PRO 31 HG2 PRO 31 6.035 -9.688 0.102
26 HG3 PRO 31 HG3 PRO 31 7.118 -8.669 1.062
27 HD2 PRO 31 HD2 PRO 31 5.337 -10.848 1.960
28 HD3 PRO 31 HD3 PRO 31 6.742 -10.131 2.777
29 H PHE 32 H PHE 32 3.682 -5.731 3.582
30 HA PHE 32 HA PHE 32 0.927 -6.589 3.610
31 HB2 PHE 32 HB2 PHE 32 2.239 -3.898 4.059
32 HB3 PHE 32 HB3 PHE 32 0.504 -4.161 4.230
33 HD1 PHE 32 HD1 PHE 32 -0.348 -5.805 5.925
34 HD2 PHE 32 HD2 PHE 32 3.783 -4.645 5.726
35 HE1 PHE 32 HE1 PHE 32 0.012 -6.694 8.212
36 HE2 PHE 32 HE2 PHE 32 4.143 -5.534 8.014
37 HZ PHE 32 HZ PHE 32 2.257 -6.559 9.256
38 H SER 33 H SER 33 -0.522 -6.481 1.964
39 HA SER 33 HA SER 33 0.142 -4.703 -0.348
40 HB2 SER 33 HB2 SER 33 -1.776 -6.984 -0.612
41 HB3 SER 33 HB3 SER 33 -0.677 -6.302 -1.808
42 HG SER 33 HG SER 33 0.726 -7.736 -1.210
43 H CYS 34 H CYS 34 -1.697 -3.658 -1.401
44 HA CYS 34 HA CYS 34 -3.633 -2.653 0.517
45 HB2 CYS 34 HB2 CYS 34 -2.825 -1.182 -1.240
46 HB3 CYS 34 HB3 CYS 34 -3.387 -2.298 -2.484
47 H SER 35 H SER 35 -6.057 -2.575 -0.411
48 HA SER 35 HA SER 35 -7.010 -5.299 -0.313
49 HB2 SER 35 HB2 SER 35 -9.119 -3.721 -1.245
50 HB3 SER 35 HB3 SER 35 -8.776 -4.113 0.436
51 HG SER 35 HG SER 35 -7.896 -2.188 0.718
52 H LEU 36 H LEU 36 -8.079 -3.014 -2.811
53 HA LEU 36 HA LEU 36 -7.755 -5.208 -4.799
54 HB2 LEU 36 HB2 LEU 36 -10.010 -4.122 -4.497
55 HB3 LEU 36 HB3 LEU 36 -9.303 -2.618 -5.086
56 HG LEU 36 HG LEU 36 -8.683 -3.726 -7.197
57 HD11 LEU 36 HD11 LEU 36 -9.612 -6.104 -5.670
58 HD12 LEU 36 HD12 LEU 36 -8.335 -5.972 -6.880
59 HD13 LEU 36 HD13 LEU 36 -10.023 -6.061 -7.384
60 HD21 LEU 36 HD21 LEU 36 -11.122 -4.328 -7.898
61 HD22 LEU 36 HD22 LEU 36 -10.788 -2.683 -7.355
62 HD23 LEU 36 HD23 LEU 36 -11.545 -3.838 -6.257
63 H CYS 37 H CYS 37 -5.533 -4.931 -5.268
64 HA CYS 37 HA CYS 37 -4.705 -3.447 -7.400
65 HB2 CYS 37 HB2 CYS 37 -3.498 -1.484 -6.089
66 HB3 CYS 37 HB3 CYS 37 -5.168 -1.309 -6.623
67 HA PRO 38 HA PRO 38 -1.619 -6.377 -5.671
68 HB2 PRO 38 HB2 PRO 38 -0.619 -5.866 -8.442
69 HB3 PRO 38 HB3 PRO 38 -0.806 -7.403 -7.575
70 HG2 PRO 38 HG2 PRO 38 -2.522 -6.644 -9.471
71 HG3 PRO 38 HG3 PRO 38 -3.043 -7.551 -8.043
72 HD2 PRO 38 HD2 PRO 38 -3.483 -4.684 -8.706
73 HD3 PRO 38 HD3 PRO 38 -4.459 -5.773 -7.696
74 H GLN 39 H GLN 39 -0.908 -4.482 -4.309
75 HA GLN 39 HA GLN 39 1.710 -3.495 -5.282
76 HB2 GLN 39 HB2 GLN 39 1.247 -1.197 -4.831
77 HB3 GLN 39 HB3 GLN 39 -0.117 -1.772 -5.790
78 HG2 GLN 39 HG2 GLN 39 -1.308 -0.782 -4.093
79 HG3 GLN 39 HG3 GLN 39 -1.058 -2.357 -3.340
80 HE21 GLN 39 HE21 GLN 39 -0.215 1.037 -3.168
81 HE22 GLN 39 HE22 GLN 39 0.755 0.926 -1.780
82 H ARG 40 H ARG 40 3.199 -3.499 -3.633
83 HA ARG 40 HA ARG 40 2.142 -3.991 -0.880
84 HB2 ARG 40 HB2 ARG 40 4.630 -4.841 -0.603
85 HB3 ARG 40 HB3 ARG 40 3.416 -5.881 -1.349
86 HG2 ARG 40 HG2 ARG 40 4.866 -4.008 -3.153
87 HG3 ARG 40 HG3 ARG 40 5.786 -5.374 -2.519
88 HD2 ARG 40 HD2 ARG 40 3.181 -5.500 -4.062
89 HD3 ARG 40 HD3 ARG 40 4.763 -6.059 -4.607
90 HE ARG 40 HE ARG 40 2.955 -7.529 -2.891
91 HH11 ARG 40 HH11 ARG 40 6.254 -6.806 -3.583
92 HH12 ARG 40 HH12 ARG 40 6.853 -8.308 -2.961
93 HH21 ARG 40 HH21 ARG 40 3.717 -9.495 -2.076
94 HH22 ARG 40 HH22 ARG 40 5.416 -9.830 -2.109
95 H SER 41 H SER 41 2.695 -2.547 0.706
96 HA SER 41 HA SER 41 4.734 -0.472 0.002
97 HB2 SER 41 HB2 SER 41 3.243 0.825 1.820
98 HB3 SER 41 HB3 SER 41 2.855 0.852 0.103
99 HG SER 41 HG SER 41 1.713 -1.272 0.833
100 H ARG 42 H ARG 42 5.822 0.474 1.950
101 HA ARG 42 HA ARG 42 6.032 -1.564 4.132
102 HB2 ARG 42 HB2 ARG 42 8.029 -1.073 2.462
103 HB3 ARG 42 HB3 ARG 42 8.275 0.324 3.509
104 HG2 ARG 42 HG2 ARG 42 8.669 -1.015 5.410
105 HG3 ARG 42 HG3 ARG 42 7.938 -2.439 4.667
106 HD2 ARG 42 HD2 ARG 42 9.835 -2.260 2.919
107 HD3 ARG 42 HD3 ARG 42 10.618 -1.187 4.079
108 HE ARG 42 HE ARG 42 10.394 -4.068 4.322
109 HH11 ARG 42 HH11 ARG 42 10.482 -1.058 6.000
110 HH12 ARG 42 HH12 ARG 42 11.111 -1.740 7.462
111 HH21 ARG 42 HH21 ARG 42 11.214 -4.977 6.222
112 HH22 ARG 42 HH22 ARG 42 11.526 -3.958 7.588
113 H ASP 43 H ASP 43 5.080 1.569 3.392
114 HA ASP 43 HA ASP 43 5.044 2.262 6.274
115 HB2 ASP 43 HB2 ASP 43 6.383 3.885 4.108
116 HB3 ASP 43 HB3 ASP 43 5.776 4.642 5.580
117 H PHE 44 H PHE 44 3.551 4.140 6.669
118 HA PHE 44 HA PHE 44 1.127 3.826 5.122
119 HB2 PHE 44 HB2 PHE 44 1.360 4.478 7.613
120 HB3 PHE 44 HB3 PHE 44 1.666 6.110 7.017
121 HD1 PHE 44 HD1 PHE 44 -0.753 3.274 6.589
122 HD2 PHE 44 HD2 PHE 44 -0.144 7.527 6.591
123 HE1 PHE 44 HE1 PHE 44 -3.189 3.623 6.284
124 HE2 PHE 44 HE2 PHE 44 -2.580 7.875 6.286
125 HZ PHE 44 HZ PHE 44 -4.103 5.923 6.132
126 H SER 45 H SER 45 3.634 6.339 5.317
127 HA SER 45 HA SER 45 2.464 8.350 3.766
128 HB2 SER 45 HB2 SER 45 5.308 7.640 3.182
129 HB3 SER 45 HB3 SER 45 4.593 9.215 3.515
130 HG SER 45 HG SER 45 4.277 7.593 5.629
131 H ALA 46 H ALA 46 4.467 5.650 2.514
132 HA ALA 46 HA ALA 46 3.899 6.213 -0.243
133 HB1 ALA 46 HB1 ALA 46 4.395 3.489 -0.142
134 HB2 ALA 46 HB2 ALA 46 5.216 4.091 1.299
135 HB3 ALA 46 HB3 ALA 46 5.626 4.744 -0.287
136 H MET 47 H MET 47 2.206 4.401 2.238
137 HA MET 47 HA MET 47 0.407 3.039 0.410
138 HB2 MET 47 HB2 MET 47 0.924 2.323 2.793
139 HB3 MET 47 HB3 MET 47 -0.083 3.667 3.331
140 HG2 MET 47 HG2 MET 47 -1.923 2.708 1.840
141 HG3 MET 47 HG3 MET 47 -0.920 1.264 1.699
142 HE1 MET 47 HE1 MET 47 -3.732 0.163 4.083
143 HE2 MET 47 HE2 MET 47 -3.152 0.279 2.417
144 HE3 MET 47 HE3 MET 47 -4.035 1.620 3.141
145 H THR 48 H THR 48 0.398 6.121 2.125
146 HA THR 48 HA THR 48 -2.367 6.754 1.724
147 HB THR 48 HB THR 48 -1.313 9.194 1.754
148 HG1 THR 48 HG1 THR 48 0.729 9.245 2.341
149 HG21 THR 48 HG21 THR 48 -1.192 9.001 4.249
150 HG22 THR 48 HG22 THR 48 -1.313 7.250 4.077
151 HG23 THR 48 HG23 THR 48 -2.648 8.281 3.565
152 H LYS 49 H LYS 49 0.527 7.731 -0.153
153 HA LYS 49 HA LYS 49 -0.825 9.093 -2.225
154 HB2 LYS 49 HB2 LYS 49 1.723 7.461 -2.215
155 HB3 LYS 49 HB3 LYS 49 1.155 8.298 -3.662
156 HG2 LYS 49 HG2 LYS 49 0.960 10.361 -2.027
157 HG3 LYS 49 HG3 LYS 49 2.127 9.451 -1.066
158 HD2 LYS 49 HD2 LYS 49 3.488 9.220 -3.233
159 HD3 LYS 49 HD3 LYS 49 2.434 10.471 -3.894
160 HE2 LYS 49 HE2 LYS 49 4.126 10.728 -1.390
161 HE3 LYS 49 HE3 LYS 49 4.477 11.472 -2.950
162 HZ1 LYS 49 HZ1 LYS 49 3.406 13.127 -1.737
163 HZ2 LYS 49 HZ2 LYS 49 2.256 12.059 -1.091
164 HZ3 LYS 49 HZ3 LYS 49 2.178 12.500 -2.730
165 H HIS 50 H HIS 50 -0.215 5.652 -1.743
166 HA HIS 50 HA HIS 50 -1.084 4.668 -4.241
167 HB2 HIS 50 HB2 HIS 50 -0.245 2.954 -2.953
168 HB3 HIS 50 HB3 HIS 50 -0.947 3.591 -1.465
169 HD1 HIS 50 HD1 HIS 50 -3.165 3.205 -4.427
170 HD2 HIS 50 HD2 HIS 50 -2.235 1.046 -0.986
171 HE1 HIS 50 HE1 HIS 50 -4.944 1.429 -4.197
172 H LEU 51 H LEU 51 -2.978 5.564 -1.353
173 HA LEU 51 HA LEU 51 -5.501 4.743 -2.535
174 HB2 LEU 51 HB2 LEU 51 -5.587 6.873 -0.490
175 HB3 LEU 51 HB3 LEU 51 -6.405 5.312 -0.523
176 HG LEU 51 HG LEU 51 -3.483 5.759 0.153
177 HD11 LEU 51 HD11 LEU 51 -4.962 6.511 1.946
178 HD12 LEU 51 HD12 LEU 51 -4.203 4.991 2.414
179 HD13 LEU 51 HD13 LEU 51 -5.876 5.005 1.857
180 HD21 LEU 51 HD21 LEU 51 -3.400 3.605 -0.632
181 HD22 LEU 51 HD22 LEU 51 -5.134 3.358 -0.432
182 HD23 LEU 51 HD23 LEU 51 -4.061 3.241 0.962
183 H ARG 52 H ARG 52 -3.686 7.779 -2.339
184 HA ARG 52 HA ARG 52 -5.786 9.334 -3.633
185 HB2 ARG 52 HB2 ARG 52 -2.866 9.858 -3.028
186 HB3 ARG 52 HB3 ARG 52 -3.867 11.014 -3.906
187 HG2 ARG 52 HG2 ARG 52 -5.522 10.802 -1.942
188 HG3 ARG 52 HG3 ARG 52 -4.193 10.038 -1.069
189 HD2 ARG 52 HD2 ARG 52 -3.775 12.674 -2.461
190 HD3 ARG 52 HD3 ARG 52 -4.500 12.620 -0.855
191 HE ARG 52 HE ARG 52 -1.952 11.163 -1.184
192 HH11 ARG 52 HH11 ARG 52 -3.699 13.959 -0.183
193 HH12 ARG 52 HH12 ARG 52 -2.450 14.524 0.877
194 HH21 ARG 52 HH21 ARG 52 -0.310 11.883 0.193
195 HH22 ARG 52 HH22 ARG 52 -0.532 13.349 1.088
196 H THR 53 H THR 53 -3.182 7.287 -4.636
197 HA THR 53 HA THR 53 -3.261 8.316 -7.414
198 HB THR 53 HB THR 53 -1.170 7.399 -5.973
199 HG1 THR 53 HG1 THR 53 -1.242 6.639 -8.659
200 HG21 THR 53 HG21 THR 53 -2.403 5.119 -5.937
201 HG22 THR 53 HG22 THR 53 -0.689 5.123 -6.352
202 HG23 THR 53 HG23 THR 53 -1.904 4.986 -7.623
203 H HIS 54 H HIS 54 -4.826 6.024 -5.478
204 HA HIS 54 HA HIS 54 -5.261 3.706 -6.784
205 HB2 HIS 54 HB2 HIS 54 -6.890 5.404 -5.166
206 HB3 HIS 54 HB3 HIS 54 -7.889 4.802 -6.488
207 HD1 HIS 54 HD1 HIS 54 -6.945 2.006 -6.909
208 HD2 HIS 54 HD2 HIS 54 -7.282 3.631 -3.084
209 HE1 HIS 54 HE1 HIS 54 -7.161 0.049 -5.317
210 H GLY 55 H GLY 55 -7.672 6.139 -7.687
211 HA2 GLY 55 HA2 GLY 55 -8.551 6.703 -9.788
212 HA3 GLY 55 HA3 GLY 55 -6.934 6.403 -10.430
Start of MODEL 11
1 H1 GLU 29 H1 GLU 29 7.372 -7.442 9.868
2 H2 GLU 29 H2 GLU 29 6.800 -6.190 10.866
3 H3 GLU 29 H3 GLU 29 8.140 -5.930 9.854
4 HA GLU 29 HA GLU 29 5.318 -5.829 9.251
5 HB2 GLU 29 HB2 GLU 29 7.872 -4.714 8.063
6 HB3 GLU 29 HB3 GLU 29 6.273 -4.393 7.389
7 HG2 GLU 29 HG2 GLU 29 6.458 -2.582 8.815
8 HG3 GLU 29 HG3 GLU 29 5.727 -3.752 9.914
9 H LYS 30 H LYS 30 4.401 -7.494 8.146
10 HA LYS 30 HA LYS 30 6.053 -9.157 6.348
11 HB2 LYS 30 HB2 LYS 30 3.699 -10.297 6.064
12 HB3 LYS 30 HB3 LYS 30 4.594 -10.516 7.568
13 HG2 LYS 30 HG2 LYS 30 3.281 -8.899 8.712
14 HG3 LYS 30 HG3 LYS 30 2.614 -8.263 7.208
15 HD2 LYS 30 HD2 LYS 30 1.001 -9.851 7.120
16 HD3 LYS 30 HD3 LYS 30 2.122 -11.135 7.576
17 HE2 LYS 30 HE2 LYS 30 1.256 -9.124 9.634
18 HE3 LYS 30 HE3 LYS 30 0.190 -10.468 9.226
19 HZ1 LYS 30 HZ1 LYS 30 2.953 -11.195 9.657
20 HZ2 LYS 30 HZ2 LYS 30 1.535 -11.943 10.209
21 HZ3 LYS 30 HZ3 LYS 30 2.160 -10.596 11.035
22 HA PRO 31 HA PRO 31 5.189 -7.325 2.450
23 HB2 PRO 31 HB2 PRO 31 3.840 -9.907 1.752
24 HB3 PRO 31 HB3 PRO 31 5.077 -9.003 0.857
25 HG2 PRO 31 HG2 PRO 31 5.649 -11.199 2.294
26 HG3 PRO 31 HG3 PRO 31 6.792 -9.863 2.089
27 HD2 PRO 31 HD2 PRO 31 5.313 -10.683 4.509
28 HD3 PRO 31 HD3 PRO 31 6.765 -9.669 4.364
29 H PHE 32 H PHE 32 3.549 -5.853 3.335
30 HA PHE 32 HA PHE 32 0.753 -6.745 3.394
31 HB2 PHE 32 HB2 PHE 32 2.274 -4.365 4.225
32 HB3 PHE 32 HB3 PHE 32 0.682 -4.000 3.561
33 HD1 PHE 32 HD1 PHE 32 -1.342 -5.261 4.489
34 HD2 PHE 32 HD2 PHE 32 2.503 -5.259 6.404
35 HE1 PHE 32 HE1 PHE 32 -2.397 -5.995 6.609
36 HE2 PHE 32 HE2 PHE 32 1.448 -5.994 8.524
37 HZ PHE 32 HZ PHE 32 -1.002 -6.362 8.627
38 H SER 33 H SER 33 -0.480 -6.810 1.585
39 HA SER 33 HA SER 33 0.327 -5.082 -0.716
40 HB2 SER 33 HB2 SER 33 -1.396 -6.838 -1.829
41 HB3 SER 33 HB3 SER 33 0.329 -7.162 -1.681
42 HG SER 33 HG SER 33 -0.824 -7.791 0.619
43 H CYS 34 H CYS 34 -1.472 -4.129 -1.971
44 HA CYS 34 HA CYS 34 -3.517 -3.040 -0.198
45 HB2 CYS 34 HB2 CYS 34 -2.457 -1.699 -2.018
46 HB3 CYS 34 HB3 CYS 34 -3.233 -2.750 -3.205
47 H SER 35 H SER 35 -5.851 -2.942 -1.397
48 HA SER 35 HA SER 35 -6.716 -5.754 -1.485
49 HB2 SER 35 HB2 SER 35 -8.985 -4.820 -1.485
50 HB3 SER 35 HB3 SER 35 -8.020 -4.061 -0.222
51 HG SER 35 HG SER 35 -8.321 -2.233 -1.194
52 H LEU 36 H LEU 36 -7.533 -2.952 -3.571
53 HA LEU 36 HA LEU 36 -7.497 -4.851 -5.881
54 HB2 LEU 36 HB2 LEU 36 -9.690 -3.735 -5.330
55 HB3 LEU 36 HB3 LEU 36 -8.929 -2.186 -5.702
56 HG LEU 36 HG LEU 36 -8.344 -3.097 -7.972
57 HD11 LEU 36 HD11 LEU 36 -8.459 -5.353 -8.138
58 HD12 LEU 36 HD12 LEU 36 -10.198 -5.125 -8.316
59 HD13 LEU 36 HD13 LEU 36 -9.513 -5.484 -6.731
60 HD21 LEU 36 HD21 LEU 36 -10.292 -2.228 -8.752
61 HD22 LEU 36 HD22 LEU 36 -10.712 -2.007 -7.053
62 HD23 LEU 36 HD23 LEU 36 -11.264 -3.441 -7.919
63 H CYS 37 H CYS 37 -5.295 -4.604 -6.413
64 HA CYS 37 HA CYS 37 -4.418 -2.879 -8.297
65 HB2 CYS 37 HB2 CYS 37 -3.168 -1.095 -6.833
66 HB3 CYS 37 HB3 CYS 37 -4.871 -0.851 -7.220
67 HA PRO 38 HA PRO 38 -1.360 -6.042 -7.012
68 HB2 PRO 38 HB2 PRO 38 -0.294 -5.101 -9.641
69 HB3 PRO 38 HB3 PRO 38 -0.511 -6.754 -9.039
70 HG2 PRO 38 HG2 PRO 38 -2.177 -5.681 -10.825
71 HG3 PRO 38 HG3 PRO 38 -2.736 -6.806 -9.576
72 HD2 PRO 38 HD2 PRO 38 -3.148 -3.865 -9.772
73 HD3 PRO 38 HD3 PRO 38 -4.151 -5.095 -8.972
74 H GLN 39 H GLN 39 -0.727 -4.302 -5.368
75 HA GLN 39 HA GLN 39 1.984 -3.344 -6.026
76 HB2 GLN 39 HB2 GLN 39 1.582 -1.050 -5.484
77 HB3 GLN 39 HB3 GLN 39 0.316 -1.502 -6.626
78 HG2 GLN 39 HG2 GLN 39 -1.153 -2.027 -4.621
79 HG3 GLN 39 HG3 GLN 39 0.082 -1.265 -3.618
80 HE21 GLN 39 HE21 GLN 39 -1.551 -0.454 -6.746
81 HE22 GLN 39 HE22 GLN 39 -1.869 1.159 -6.322
82 H ARG 40 H ARG 40 3.291 -3.274 -4.188
83 HA ARG 40 HA ARG 40 1.932 -3.978 -1.617
84 HB2 ARG 40 HB2 ARG 40 4.447 -4.962 -2.907
85 HB3 ARG 40 HB3 ARG 40 4.390 -4.876 -1.146
86 HG2 ARG 40 HG2 ARG 40 2.658 -6.436 -0.991
87 HG3 ARG 40 HG3 ARG 40 2.118 -6.150 -2.647
88 HD2 ARG 40 HD2 ARG 40 3.950 -7.356 -3.565
89 HD3 ARG 40 HD3 ARG 40 4.827 -7.341 -2.035
90 HE ARG 40 HE ARG 40 2.621 -8.743 -1.333
91 HH11 ARG 40 HH11 ARG 40 4.653 -8.838 -4.115
92 HH12 ARG 40 HH12 ARG 40 4.406 -10.529 -4.402
93 HH21 ARG 40 HH21 ARG 40 2.286 -10.952 -1.691
94 HH22 ARG 40 HH22 ARG 40 3.066 -11.725 -3.030
95 H SER 41 H SER 41 3.113 -3.209 0.343
96 HA SER 41 HA SER 41 4.909 -0.893 -0.120
97 HB2 SER 41 HB2 SER 41 3.482 0.402 1.585
98 HB3 SER 41 HB3 SER 41 2.834 0.255 -0.046
99 HG SER 41 HG SER 41 1.570 -1.484 0.690
100 H ARG 42 H ARG 42 6.197 -0.393 1.743
101 HA ARG 42 HA ARG 42 6.424 -2.655 3.631
102 HB2 ARG 42 HB2 ARG 42 8.152 -0.291 2.926
103 HB3 ARG 42 HB3 ARG 42 8.443 -1.194 4.414
104 HG2 ARG 42 HG2 ARG 42 9.308 -2.967 3.299
105 HG3 ARG 42 HG3 ARG 42 8.043 -2.917 2.070
106 HD2 ARG 42 HD2 ARG 42 10.341 -0.947 2.169
107 HD3 ARG 42 HD3 ARG 42 10.373 -2.425 1.206
108 HE ARG 42 HE ARG 42 8.066 -0.647 0.744
109 HH11 ARG 42 HH11 ARG 42 11.218 -1.733 -0.131
110 HH12 ARG 42 HH12 ARG 42 11.108 -1.161 -1.762
111 HH21 ARG 42 HH21 ARG 42 7.903 0.108 -1.381
112 HH22 ARG 42 HH22 ARG 42 9.231 -0.117 -2.470
113 H ASP 43 H ASP 43 5.981 0.887 3.745
114 HA ASP 43 HA ASP 43 5.012 0.552 6.556
115 HB2 ASP 43 HB2 ASP 43 7.034 2.158 5.762
116 HB3 ASP 43 HB3 ASP 43 5.678 3.259 5.519
117 H PHE 44 H PHE 44 3.184 2.015 7.151
118 HA PHE 44 HA PHE 44 1.071 1.875 5.200
119 HB2 PHE 44 HB2 PHE 44 0.999 2.003 7.842
120 HB3 PHE 44 HB3 PHE 44 0.920 3.739 7.544
121 HD1 PHE 44 HD1 PHE 44 -0.576 0.605 6.102
122 HD2 PHE 44 HD2 PHE 44 -1.212 4.651 7.397
123 HE1 PHE 44 HE1 PHE 44 -2.984 0.403 5.551
124 HE2 PHE 44 HE2 PHE 44 -3.620 4.449 6.845
125 HZ PHE 44 HZ PHE 44 -4.507 2.325 5.922
126 H SER 45 H SER 45 3.281 4.432 6.222
127 HA SER 45 HA SER 45 2.055 6.696 5.128
128 HB2 SER 45 HB2 SER 45 4.325 6.516 6.334
129 HB3 SER 45 HB3 SER 45 5.000 6.128 4.754
130 HG SER 45 HG SER 45 5.103 8.256 4.690
131 H ALA 46 H ALA 46 4.360 4.554 3.406
132 HA ALA 46 HA ALA 46 3.889 5.727 0.835
133 HB1 ALA 46 HB1 ALA 46 4.985 3.061 1.738
134 HB2 ALA 46 HB2 ALA 46 5.857 4.419 1.030
135 HB3 ALA 46 HB3 ALA 46 4.789 3.438 0.027
136 H MET 47 H MET 47 2.306 3.119 2.612
137 HA MET 47 HA MET 47 0.704 2.184 0.401
138 HB2 MET 47 HB2 MET 47 1.161 0.954 2.595
139 HB3 MET 47 HB3 MET 47 -0.036 2.019 3.331
140 HG2 MET 47 HG2 MET 47 -1.781 0.969 2.316
141 HG3 MET 47 HG3 MET 47 -0.898 0.753 0.805
142 HE1 MET 47 HE1 MET 47 -2.704 -1.564 1.511
143 HE2 MET 47 HE2 MET 47 -2.747 -0.933 3.164
144 HE3 MET 47 HE3 MET 47 -2.260 -2.600 2.866
145 H THR 48 H THR 48 0.376 4.785 2.739
146 HA THR 48 HA THR 48 -2.434 5.265 2.283
147 HB THR 48 HB THR 48 -1.939 7.514 3.275
148 HG1 THR 48 HG1 THR 48 0.400 7.109 2.378
149 HG21 THR 48 HG21 THR 48 -0.653 6.209 5.347
150 HG22 THR 48 HG22 THR 48 -1.443 4.890 4.481
151 HG23 THR 48 HG23 THR 48 -2.397 6.242 5.089
152 H LYS 49 H LYS 49 0.526 6.817 0.981
153 HA LYS 49 HA LYS 49 -0.718 8.684 -0.724
154 HB2 LYS 49 HB2 LYS 49 1.767 7.019 -1.256
155 HB3 LYS 49 HB3 LYS 49 1.299 8.451 -2.174
156 HG2 LYS 49 HG2 LYS 49 1.207 9.127 0.599
157 HG3 LYS 49 HG3 LYS 49 2.750 8.331 0.289
158 HD2 LYS 49 HD2 LYS 49 3.195 9.868 -1.571
159 HD3 LYS 49 HD3 LYS 49 1.633 10.646 -1.320
160 HE2 LYS 49 HE2 LYS 49 4.019 10.640 0.537
161 HE3 LYS 49 HE3 LYS 49 3.230 12.030 -0.207
162 HZ1 LYS 49 HZ1 LYS 49 1.293 11.662 1.108
163 HZ2 LYS 49 HZ2 LYS 49 2.629 11.676 2.153
164 HZ3 LYS 49 HZ3 LYS 49 1.906 10.201 1.719
165 H HIS 50 H HIS 50 -0.073 5.246 -1.163
166 HA HIS 50 HA HIS 50 -0.853 4.912 -3.836
167 HB2 HIS 50 HB2 HIS 50 -0.181 2.878 -3.054
168 HB3 HIS 50 HB3 HIS 50 -0.745 3.219 -1.418
169 HD1 HIS 50 HD1 HIS 50 -2.968 3.406 -4.452
170 HD2 HIS 50 HD2 HIS 50 -2.375 0.920 -1.161
171 HE1 HIS 50 HE1 HIS 50 -4.913 1.795 -4.417
172 H LEU 51 H LEU 51 -2.922 4.851 -0.907
173 HA LEU 51 HA LEU 51 -5.390 4.426 -2.236
174 HB2 LEU 51 HB2 LEU 51 -4.642 5.830 0.326
175 HB3 LEU 51 HB3 LEU 51 -6.315 5.819 -0.234
176 HG LEU 51 HG LEU 51 -6.143 3.300 -0.407
177 HD11 LEU 51 HD11 LEU 51 -3.699 3.132 -0.510
178 HD12 LEU 51 HD12 LEU 51 -4.302 2.243 0.889
179 HD13 LEU 51 HD13 LEU 51 -3.567 3.831 1.102
180 HD21 LEU 51 HD21 LEU 51 -5.516 4.107 2.416
181 HD22 LEU 51 HD22 LEU 51 -6.775 3.025 1.820
182 HD23 LEU 51 HD23 LEU 51 -6.954 4.770 1.640
183 H ARG 52 H ARG 52 -3.727 7.485 -1.439
184 HA ARG 52 HA ARG 52 -5.716 9.130 -2.758
185 HB2 ARG 52 HB2 ARG 52 -3.943 9.827 -0.983
186 HB3 ARG 52 HB3 ARG 52 -2.839 9.939 -2.354
187 HG2 ARG 52 HG2 ARG 52 -4.920 11.305 -3.377
188 HG3 ARG 52 HG3 ARG 52 -5.183 11.638 -1.665
189 HD2 ARG 52 HD2 ARG 52 -2.957 12.496 -3.441
190 HD3 ARG 52 HD3 ARG 52 -3.705 13.341 -2.085
191 HE ARG 52 HE ARG 52 -2.230 11.042 -1.158
192 HH11 ARG 52 HH11 ARG 52 -1.961 14.256 -2.377
193 HH12 ARG 52 HH12 ARG 52 -0.463 14.578 -1.573
194 HH21 ARG 52 HH21 ARG 52 -0.274 11.445 -0.099
195 HH22 ARG 52 HH22 ARG 52 0.493 12.987 -0.282
196 H THR 53 H THR 53 -3.100 7.176 -3.807
197 HA THR 53 HA THR 53 -2.954 8.561 -6.433
198 HB THR 53 HB THR 53 -0.999 7.362 -4.859
199 HG1 THR 53 HG1 THR 53 -1.097 7.906 -7.638
200 HG21 THR 53 HG21 THR 53 -1.435 5.576 -7.261
201 HG22 THR 53 HG22 THR 53 -2.009 5.148 -5.649
202 HG23 THR 53 HG23 THR 53 -0.284 5.360 -5.943
203 H HIS 54 H HIS 54 -4.712 6.147 -4.942
204 HA HIS 54 HA HIS 54 -4.929 3.917 -6.459
205 HB2 HIS 54 HB2 HIS 54 -6.793 5.494 -4.963
206 HB3 HIS 54 HB3 HIS 54 -7.587 4.966 -6.444
207 HD1 HIS 54 HD1 HIS 54 -6.796 2.225 -6.949
208 HD2 HIS 54 HD2 HIS 54 -7.178 3.573 -3.023
209 HE1 HIS 54 HE1 HIS 54 -7.111 0.162 -5.511
210 H GLY 55 H GLY 55 -5.621 7.168 -7.595
211 HA2 GLY 55 HA2 GLY 55 -6.412 6.064 -10.248
212 HA3 GLY 55 HA3 GLY 55 -6.700 7.721 -9.717
Start of MODEL 12
1 H1 GLU 29 H1 GLU 29 9.010 -9.931 7.897
2 H2 GLU 29 H2 GLU 29 8.683 -11.505 7.350
3 H3 GLU 29 H3 GLU 29 8.627 -11.151 9.010
4 HA GLU 29 HA GLU 29 6.395 -11.285 8.244
5 HB2 GLU 29 HB2 GLU 29 7.472 -8.510 8.746
6 HB3 GLU 29 HB3 GLU 29 5.745 -8.790 8.511
7 HG2 GLU 29 HG2 GLU 29 6.172 -8.884 10.884
8 HG3 GLU 29 HG3 GLU 29 5.869 -10.534 10.337
9 H LYS 30 H LYS 30 4.785 -10.685 6.679
10 HA LYS 30 HA LYS 30 5.928 -10.157 4.013
11 HB2 LYS 30 HB2 LYS 30 3.486 -10.519 3.314
12 HB3 LYS 30 HB3 LYS 30 4.303 -11.903 4.044
13 HG2 LYS 30 HG2 LYS 30 3.293 -11.401 6.212
14 HG3 LYS 30 HG3 LYS 30 2.538 -9.950 5.551
15 HD2 LYS 30 HD2 LYS 30 2.027 -12.617 4.259
16 HD3 LYS 30 HD3 LYS 30 1.136 -12.161 5.711
17 HE2 LYS 30 HE2 LYS 30 -0.106 -10.613 4.607
18 HE3 LYS 30 HE3 LYS 30 1.276 -10.036 3.676
19 HZ1 LYS 30 HZ1 LYS 30 0.141 -12.684 3.097
20 HZ2 LYS 30 HZ2 LYS 30 0.976 -11.625 2.068
21 HZ3 LYS 30 HZ3 LYS 30 -0.635 -11.296 2.497
22 HA PRO 31 HA PRO 31 4.903 -5.867 3.961
23 HB2 PRO 31 HB2 PRO 31 4.427 -5.533 1.273
24 HB3 PRO 31 HB3 PRO 31 6.047 -5.681 1.978
25 HG2 PRO 31 HG2 PRO 31 4.401 -7.715 0.569
26 HG3 PRO 31 HG3 PRO 31 6.152 -7.443 0.522
27 HD2 PRO 31 HD2 PRO 31 4.991 -9.450 1.985
28 HD3 PRO 31 HD3 PRO 31 6.532 -8.686 2.434
29 H PHE 32 H PHE 32 3.030 -4.788 4.432
30 HA PHE 32 HA PHE 32 0.470 -5.988 4.278
31 HB2 PHE 32 HB2 PHE 32 1.077 -3.017 4.325
32 HB3 PHE 32 HB3 PHE 32 -0.420 -3.791 4.845
33 HD1 PHE 32 HD1 PHE 32 -0.302 -5.490 6.764
34 HD2 PHE 32 HD2 PHE 32 2.897 -2.781 5.818
35 HE1 PHE 32 HE1 PHE 32 0.655 -5.828 9.027
36 HE2 PHE 32 HE2 PHE 32 3.853 -3.121 8.081
37 HZ PHE 32 HZ PHE 32 2.733 -4.644 9.685
38 H SER 33 H SER 33 -0.614 -6.499 2.441
39 HA SER 33 HA SER 33 -0.036 -5.145 -0.085
40 HB2 SER 33 HB2 SER 33 -2.056 -6.638 -0.815
41 HB3 SER 33 HB3 SER 33 -0.531 -7.413 -0.395
42 HG SER 33 HG SER 33 -2.969 -7.419 0.908
43 H CYS 34 H CYS 34 -2.003 -4.349 -1.420
44 HA CYS 34 HA CYS 34 -3.369 -2.319 0.188
45 HB2 CYS 34 HB2 CYS 34 -2.595 -1.655 -2.000
46 HB3 CYS 34 HB3 CYS 34 -3.451 -2.994 -2.764
47 H SER 35 H SER 35 -5.840 -2.009 -0.537
48 HA SER 35 HA SER 35 -7.218 -4.384 0.450
49 HB2 SER 35 HB2 SER 35 -7.743 -1.633 0.420
50 HB3 SER 35 HB3 SER 35 -8.957 -2.326 -0.651
51 HG SER 35 HG SER 35 -9.499 -3.769 1.023
52 H LEU 36 H LEU 36 -7.356 -2.505 -2.609
53 HA LEU 36 HA LEU 36 -8.129 -5.043 -3.970
54 HB2 LEU 36 HB2 LEU 36 -10.136 -3.528 -3.485
55 HB3 LEU 36 HB3 LEU 36 -9.427 -2.395 -4.637
56 HG LEU 36 HG LEU 36 -9.548 -5.177 -5.602
57 HD11 LEU 36 HD11 LEU 36 -11.921 -5.253 -5.951
58 HD12 LEU 36 HD12 LEU 36 -12.125 -3.612 -5.339
59 HD13 LEU 36 HD13 LEU 36 -11.674 -4.914 -4.239
60 HD21 LEU 36 HD21 LEU 36 -9.918 -4.122 -7.646
61 HD22 LEU 36 HD22 LEU 36 -9.031 -2.867 -6.779
62 HD23 LEU 36 HD23 LEU 36 -10.787 -2.776 -6.909
63 H CYS 37 H CYS 37 -6.183 -5.273 -5.044
64 HA CYS 37 HA CYS 37 -5.579 -4.350 -7.482
65 HB2 CYS 37 HB2 CYS 37 -3.999 -2.338 -7.016
66 HB3 CYS 37 HB3 CYS 37 -5.733 -2.033 -7.059
67 HA PRO 38 HA PRO 38 -2.009 -6.734 -6.374
68 HB2 PRO 38 HB2 PRO 38 -0.623 -6.561 -8.716
69 HB3 PRO 38 HB3 PRO 38 -2.086 -7.548 -8.533
70 HG2 PRO 38 HG2 PRO 38 -1.752 -4.871 -9.781
71 HG3 PRO 38 HG3 PRO 38 -2.779 -6.228 -10.272
72 HD2 PRO 38 HD2 PRO 38 -3.711 -4.013 -8.911
73 HD3 PRO 38 HD3 PRO 38 -4.493 -5.609 -8.865
74 H GLN 39 H GLN 39 -1.402 -4.828 -4.857
75 HA GLN 39 HA GLN 39 1.293 -3.914 -5.618
76 HB2 GLN 39 HB2 GLN 39 0.908 -1.614 -5.507
77 HB3 GLN 39 HB3 GLN 39 -0.554 -2.175 -6.317
78 HG2 GLN 39 HG2 GLN 39 -1.695 -2.273 -4.096
79 HG3 GLN 39 HG3 GLN 39 -0.249 -1.585 -3.358
80 HE21 GLN 39 HE21 GLN 39 -2.989 -0.865 -5.487
81 HE22 GLN 39 HE22 GLN 39 -2.758 0.816 -5.505
82 H ARG 40 H ARG 40 2.567 -3.399 -3.767
83 HA ARG 40 HA ARG 40 1.216 -3.737 -1.131
84 HB2 ARG 40 HB2 ARG 40 2.899 -5.285 -0.373
85 HB3 ARG 40 HB3 ARG 40 2.289 -5.896 -1.911
86 HG2 ARG 40 HG2 ARG 40 4.248 -4.481 -2.937
87 HG3 ARG 40 HG3 ARG 40 4.925 -4.585 -1.311
88 HD2 ARG 40 HD2 ARG 40 4.316 -7.153 -1.584
89 HD3 ARG 40 HD3 ARG 40 4.429 -6.766 -3.301
90 HE ARG 40 HE ARG 40 6.711 -5.834 -1.717
91 HH11 ARG 40 HH11 ARG 40 5.248 -8.362 -3.549
92 HH12 ARG 40 HH12 ARG 40 6.751 -9.127 -3.943
93 HH21 ARG 40 HH21 ARG 40 8.681 -6.820 -2.217
94 HH22 ARG 40 HH22 ARG 40 8.695 -8.255 -3.187
95 H SER 41 H SER 41 2.235 -2.608 0.583
96 HA SER 41 HA SER 41 4.514 -0.847 -0.225
97 HB2 SER 41 HB2 SER 41 3.339 0.784 1.483
98 HB3 SER 41 HB3 SER 41 2.782 0.710 -0.186
99 HG SER 41 HG SER 41 1.727 -0.934 1.863
100 H ARG 42 H ARG 42 5.710 -0.001 1.730
101 HA ARG 42 HA ARG 42 5.838 -2.146 3.795
102 HB2 ARG 42 HB2 ARG 42 7.815 -0.474 2.432
103 HB3 ARG 42 HB3 ARG 42 8.019 -0.469 4.185
104 HG2 ARG 42 HG2 ARG 42 7.684 -3.004 2.563
105 HG3 ARG 42 HG3 ARG 42 9.257 -2.325 2.984
106 HD2 ARG 42 HD2 ARG 42 7.915 -2.315 5.405
107 HD3 ARG 42 HD3 ARG 42 7.362 -3.813 4.656
108 HE ARG 42 HE ARG 42 10.013 -4.049 4.261
109 HH11 ARG 42 HH11 ARG 42 8.200 -2.924 6.968
110 HH12 ARG 42 HH12 ARG 42 9.372 -3.434 8.135
111 HH21 ARG 42 HH21 ARG 42 11.556 -4.723 5.769
112 HH22 ARG 42 HH22 ARG 42 11.274 -4.452 7.456
113 H ASP 43 H ASP 43 5.877 1.412 3.473
114 HA ASP 43 HA ASP 43 5.009 1.559 6.331
115 HB2 ASP 43 HB2 ASP 43 7.193 2.741 5.346
116 HB3 ASP 43 HB3 ASP 43 6.015 3.969 4.879
117 H PHE 44 H PHE 44 3.388 3.258 6.806
118 HA PHE 44 HA PHE 44 1.151 3.165 5.054
119 HB2 PHE 44 HB2 PHE 44 1.185 3.755 7.552
120 HB3 PHE 44 HB3 PHE 44 1.645 5.381 7.048
121 HD1 PHE 44 HD1 PHE 44 -0.822 2.761 5.956
122 HD2 PHE 44 HD2 PHE 44 -0.107 6.896 6.877
123 HE1 PHE 44 HE1 PHE 44 -3.195 3.283 5.457
124 HE2 PHE 44 HE2 PHE 44 -2.479 7.417 6.379
125 HZ PHE 44 HZ PHE 44 -4.024 5.611 5.669
126 H SER 45 H SER 45 3.751 5.547 5.392
127 HA SER 45 HA SER 45 2.741 7.662 3.867
128 HB2 SER 45 HB2 SER 45 5.368 6.699 4.638
129 HB3 SER 45 HB3 SER 45 5.403 7.375 3.012
130 HG SER 45 HG SER 45 5.713 8.950 4.678
131 H ALA 46 H ALA 46 4.696 4.951 2.558
132 HA ALA 46 HA ALA 46 4.159 5.611 -0.181
133 HB1 ALA 46 HB1 ALA 46 5.802 4.077 -0.371
134 HB2 ALA 46 HB2 ALA 46 4.598 2.831 -0.044
135 HB3 ALA 46 HB3 ALA 46 5.535 3.521 1.282
136 H MET 47 H MET 47 2.466 3.617 2.186
137 HA MET 47 HA MET 47 0.656 2.418 0.267
138 HB2 MET 47 HB2 MET 47 1.206 1.610 2.660
139 HB3 MET 47 HB3 MET 47 0.051 2.830 3.196
140 HG2 MET 47 HG2 MET 47 -1.055 1.307 0.999
141 HG3 MET 47 HG3 MET 47 -0.535 0.226 2.292
142 HE1 MET 47 HE1 MET 47 -2.817 -0.334 1.889
143 HE2 MET 47 HE2 MET 47 -4.261 0.461 2.529
144 HE3 MET 47 HE3 MET 47 -3.191 -0.430 3.608
145 H THR 48 H THR 48 0.718 5.413 2.089
146 HA THR 48 HA THR 48 -2.077 6.057 1.724
147 HB THR 48 HB THR 48 -1.121 8.462 2.117
148 HG1 THR 48 HG1 THR 48 0.979 8.366 1.939
149 HG21 THR 48 HG21 THR 48 -2.190 7.696 3.987
150 HG22 THR 48 HG22 THR 48 -0.540 7.545 4.594
151 HG23 THR 48 HG23 THR 48 -1.373 6.134 3.940
152 H LYS 49 H LYS 49 0.893 7.186 0.061
153 HA LYS 49 HA LYS 49 -0.335 8.799 -1.890
154 HB2 LYS 49 HB2 LYS 49 2.062 6.965 -2.220
155 HB3 LYS 49 HB3 LYS 49 1.628 8.271 -3.321
156 HG2 LYS 49 HG2 LYS 49 1.646 9.334 -0.669
157 HG3 LYS 49 HG3 LYS 49 3.147 8.437 -0.905
158 HD2 LYS 49 HD2 LYS 49 3.743 9.731 -2.813
159 HD3 LYS 49 HD3 LYS 49 2.120 10.407 -2.955
160 HE2 LYS 49 HE2 LYS 49 2.412 11.834 -1.122
161 HE3 LYS 49 HE3 LYS 49 3.719 10.860 -0.449
162 HZ1 LYS 49 HZ1 LYS 49 5.027 11.495 -2.472
163 HZ2 LYS 49 HZ2 LYS 49 4.708 12.763 -1.392
164 HZ3 LYS 49 HZ3 LYS 49 3.809 12.626 -2.826
165 H HIS 50 H HIS 50 0.152 5.304 -1.801
166 HA HIS 50 HA HIS 50 -0.718 4.603 -4.375
167 HB2 HIS 50 HB2 HIS 50 -0.041 2.727 -3.233
168 HB3 HIS 50 HB3 HIS 50 -0.725 3.286 -1.705
169 HD1 HIS 50 HD1 HIS 50 -2.848 3.235 -4.781
170 HD2 HIS 50 HD2 HIS 50 -2.252 0.877 -1.396
171 HE1 HIS 50 HE1 HIS 50 -4.770 1.596 -4.706
172 H LEU 51 H LEU 51 -2.681 5.252 -1.458
173 HA LEU 51 HA LEU 51 -5.198 4.722 -2.770
174 HB2 LEU 51 HB2 LEU 51 -5.156 6.717 -0.571
175 HB3 LEU 51 HB3 LEU 51 -6.151 5.274 -0.762
176 HG LEU 51 HG LEU 51 -3.227 5.313 0.041
177 HD11 LEU 51 HD11 LEU 51 -4.463 4.158 2.104
178 HD12 LEU 51 HD12 LEU 51 -5.811 5.139 1.530
179 HD13 LEU 51 HD13 LEU 51 -4.298 5.911 2.000
180 HD21 LEU 51 HD21 LEU 51 -4.887 3.261 -1.107
181 HD22 LEU 51 HD22 LEU 51 -4.493 2.822 0.554
182 HD23 LEU 51 HD23 LEU 51 -3.202 3.153 -0.600
183 H ARG 52 H ARG 52 -3.260 7.656 -2.258
184 HA ARG 52 HA ARG 52 -5.202 9.408 -3.523
185 HB2 ARG 52 HB2 ARG 52 -2.219 9.820 -3.129
186 HB3 ARG 52 HB3 ARG 52 -3.407 11.075 -3.484
187 HG2 ARG 52 HG2 ARG 52 -4.268 9.538 -1.198
188 HG3 ARG 52 HG3 ARG 52 -2.628 10.132 -0.935
189 HD2 ARG 52 HD2 ARG 52 -3.323 12.411 -1.425
190 HD3 ARG 52 HD3 ARG 52 -4.941 11.861 -1.857
191 HE ARG 52 HE ARG 52 -5.447 11.670 0.451
192 HH11 ARG 52 HH11 ARG 52 -2.075 12.077 -0.151
193 HH12 ARG 52 HH12 ARG 52 -1.672 12.321 1.516
194 HH21 ARG 52 HH21 ARG 52 -4.939 11.986 2.630
195 HH22 ARG 52 HH22 ARG 52 -3.293 12.270 3.090
196 H THR 53 H THR 53 -2.819 7.186 -4.604
197 HA THR 53 HA THR 53 -2.788 8.377 -7.332
198 HB THR 53 HB THR 53 -0.750 7.287 -5.843
199 HG1 THR 53 HG1 THR 53 -0.799 7.037 -8.645
200 HG21 THR 53 HG21 THR 53 -1.927 5.038 -6.165
201 HG22 THR 53 HG22 THR 53 -0.228 5.102 -6.636
202 HG23 THR 53 HG23 THR 53 -1.489 5.169 -7.868
203 H HIS 54 H HIS 54 -4.544 6.193 -5.537
204 HA HIS 54 HA HIS 54 -4.931 3.871 -6.950
205 HB2 HIS 54 HB2 HIS 54 -6.490 5.430 -5.165
206 HB3 HIS 54 HB3 HIS 54 -7.539 5.027 -6.522
207 HD1 HIS 54 HD1 HIS 54 -6.786 2.262 -7.275
208 HD2 HIS 54 HD2 HIS 54 -6.882 3.452 -3.281
209 HE1 HIS 54 HE1 HIS 54 -7.055 0.149 -5.906
210 H GLY 55 H GLY 55 -6.057 3.243 -8.846
211 HA2 GLY 55 HA2 GLY 55 -6.031 5.182 -10.998
212 HA3 GLY 55 HA3 GLY 55 -6.617 3.522 -11.117
Start of MODEL 13
1 H1 GLU 29 H1 GLU 29 7.945 -6.231 11.004
2 H2 GLU 29 H2 GLU 29 8.565 -7.212 9.763
3 H3 GLU 29 H3 GLU 29 7.404 -7.830 10.838
4 HA GLU 29 HA GLU 29 5.699 -6.488 9.958
5 HB2 GLU 29 HB2 GLU 29 6.939 -4.418 9.702
6 HB3 GLU 29 HB3 GLU 29 7.954 -5.133 8.450
7 HG2 GLU 29 HG2 GLU 29 6.024 -5.387 6.976
8 HG3 GLU 29 HG3 GLU 29 4.950 -4.783 8.239
9 H LYS 30 H LYS 30 4.525 -7.557 8.413
10 HA LYS 30 HA LYS 30 6.044 -9.317 6.547
11 HB2 LYS 30 HB2 LYS 30 3.082 -9.460 7.128
12 HB3 LYS 30 HB3 LYS 30 4.130 -10.727 6.493
13 HG2 LYS 30 HG2 LYS 30 4.525 -11.443 8.587
14 HG3 LYS 30 HG3 LYS 30 5.227 -9.874 8.984
15 HD2 LYS 30 HD2 LYS 30 3.033 -8.990 9.569
16 HD3 LYS 30 HD3 LYS 30 2.260 -10.491 9.062
17 HE2 LYS 30 HE2 LYS 30 3.675 -11.688 10.789
18 HE3 LYS 30 HE3 LYS 30 4.163 -10.101 11.384
19 HZ1 LYS 30 HZ1 LYS 30 2.341 -10.677 12.687
20 HZ2 LYS 30 HZ2 LYS 30 1.471 -11.315 11.379
21 HZ3 LYS 30 HZ3 LYS 30 1.680 -9.634 11.520
22 HA PRO 31 HA PRO 31 5.169 -7.131 2.837
23 HB2 PRO 31 HB2 PRO 31 3.657 -9.581 2.006
24 HB3 PRO 31 HB3 PRO 31 4.898 -8.669 1.123
25 HG2 PRO 31 HG2 PRO 31 5.426 -10.990 2.365
26 HG3 PRO 31 HG3 PRO 31 6.621 -9.692 2.212
27 HD2 PRO 31 HD2 PRO 31 5.208 -10.637 4.624
28 HD3 PRO 31 HD3 PRO 31 6.693 -9.669 4.496
29 H PHE 32 H PHE 32 3.577 -5.650 2.371
30 HA PHE 32 HA PHE 32 0.771 -6.362 3.128
31 HB2 PHE 32 HB2 PHE 32 2.371 -4.351 4.245
32 HB3 PHE 32 HB3 PHE 32 1.303 -3.502 3.127
33 HD1 PHE 32 HD1 PHE 32 -1.141 -3.598 3.393
34 HD2 PHE 32 HD2 PHE 32 1.493 -5.530 6.182
35 HE1 PHE 32 HE1 PHE 32 -3.016 -3.836 4.998
36 HE2 PHE 32 HE2 PHE 32 -0.382 -5.767 7.788
37 HZ PHE 32 HZ PHE 32 -2.637 -4.920 7.195
38 H SER 33 H SER 33 -0.289 -6.640 1.221
39 HA SER 33 HA SER 33 0.305 -4.725 -0.995
40 HB2 SER 33 HB2 SER 33 -1.298 -7.141 -1.583
41 HB3 SER 33 HB3 SER 33 0.027 -6.422 -2.494
42 HG SER 33 HG SER 33 0.334 -7.817 -0.039
43 H CYS 34 H CYS 34 -1.526 -3.812 -2.123
44 HA CYS 34 HA CYS 34 -3.783 -3.261 -0.367
45 HB2 CYS 34 HB2 CYS 34 -2.809 -1.603 -1.992
46 HB3 CYS 34 HB3 CYS 34 -3.484 -2.571 -3.303
47 H SER 35 H SER 35 -6.063 -3.337 -1.657
48 HA SER 35 HA SER 35 -6.545 -6.199 -2.092
49 HB2 SER 35 HB2 SER 35 -8.319 -3.759 -1.961
50 HB3 SER 35 HB3 SER 35 -8.947 -5.333 -2.446
51 HG SER 35 HG SER 35 -9.084 -5.670 -0.377
52 H LEU 36 H LEU 36 -8.210 -3.742 -3.981
53 HA LEU 36 HA LEU 36 -7.491 -5.227 -6.432
54 HB2 LEU 36 HB2 LEU 36 -9.867 -4.494 -5.933
55 HB3 LEU 36 HB3 LEU 36 -9.327 -2.832 -6.169
56 HG LEU 36 HG LEU 36 -8.813 -4.948 -8.255
57 HD11 LEU 36 HD11 LEU 36 -10.882 -3.950 -9.387
58 HD12 LEU 36 HD12 LEU 36 -11.301 -3.292 -7.805
59 HD13 LEU 36 HD13 LEU 36 -11.183 -5.037 -8.031
60 HD21 LEU 36 HD21 LEU 36 -8.736 -1.956 -8.055
61 HD22 LEU 36 HD22 LEU 36 -9.100 -2.689 -9.617
62 HD23 LEU 36 HD23 LEU 36 -7.579 -3.055 -8.803
63 H CYS 37 H CYS 37 -5.325 -4.593 -6.709
64 HA CYS 37 HA CYS 37 -4.650 -2.529 -8.369
65 HB2 CYS 37 HB2 CYS 37 -3.653 -0.884 -6.536
66 HB3 CYS 37 HB3 CYS 37 -5.325 -0.725 -7.074
67 HA PRO 38 HA PRO 38 -1.335 -5.553 -7.353
68 HB2 PRO 38 HB2 PRO 38 -0.396 -4.272 -9.889
69 HB3 PRO 38 HB3 PRO 38 -0.430 -5.987 -9.436
70 HG2 PRO 38 HG2 PRO 38 -2.226 -4.943 -11.109
71 HG3 PRO 38 HG3 PRO 38 -2.648 -6.223 -9.961
72 HD2 PRO 38 HD2 PRO 38 -3.369 -3.340 -9.902
73 HD3 PRO 38 HD3 PRO 38 -4.219 -4.731 -9.196
74 H GLN 39 H GLN 39 -0.788 -4.003 -5.539
75 HA GLN 39 HA GLN 39 1.759 -2.636 -6.162
76 HB2 GLN 39 HB2 GLN 39 1.135 -0.519 -5.329
77 HB3 GLN 39 HB3 GLN 39 -0.247 -0.994 -6.318
78 HG2 GLN 39 HG2 GLN 39 -1.343 -0.362 -4.378
79 HG3 GLN 39 HG3 GLN 39 -1.075 -2.071 -4.035
80 HE21 GLN 39 HE21 GLN 39 1.356 0.570 -3.957
81 HE22 GLN 39 HE22 GLN 39 1.720 0.393 -2.309
82 H ARG 40 H ARG 40 3.199 -2.843 -4.475
83 HA ARG 40 HA ARG 40 2.102 -3.792 -1.859
84 HB2 ARG 40 HB2 ARG 40 4.800 -4.713 -2.758
85 HB3 ARG 40 HB3 ARG 40 3.612 -5.539 -1.748
86 HG2 ARG 40 HG2 ARG 40 2.157 -5.630 -3.889
87 HG3 ARG 40 HG3 ARG 40 3.651 -5.259 -4.750
88 HD2 ARG 40 HD2 ARG 40 3.193 -7.722 -4.557
89 HD3 ARG 40 HD3 ARG 40 4.731 -7.234 -3.844
90 HE ARG 40 HE ARG 40 2.470 -7.319 -1.968
91 HH11 ARG 40 HH11 ARG 40 5.151 -8.901 -3.450
92 HH12 ARG 40 HH12 ARG 40 5.337 -10.063 -2.179
93 HH21 ARG 40 HH21 ARG 40 2.700 -8.825 -0.300
94 HH22 ARG 40 HH22 ARG 40 3.950 -10.020 -0.395
95 H SER 41 H SER 41 2.757 -2.525 -0.186
96 HA SER 41 HA SER 41 5.153 -0.785 -0.632
97 HB2 SER 41 HB2 SER 41 4.062 0.975 0.364
98 HB3 SER 41 HB3 SER 41 2.646 0.114 -0.230
99 HG SER 41 HG SER 41 3.820 -0.314 2.318
100 H ARG 42 H ARG 42 5.558 0.074 1.956
101 HA ARG 42 HA ARG 42 6.002 -2.456 3.487
102 HB2 ARG 42 HB2 ARG 42 7.923 -0.134 3.132
103 HB3 ARG 42 HB3 ARG 42 8.178 -1.487 4.234
104 HG2 ARG 42 HG2 ARG 42 7.550 -2.131 1.388
105 HG3 ARG 42 HG3 ARG 42 9.159 -1.503 1.745
106 HD2 ARG 42 HD2 ARG 42 9.280 -3.266 3.597
107 HD3 ARG 42 HD3 ARG 42 7.843 -3.984 2.866
108 HE ARG 42 HE ARG 42 10.536 -4.171 1.825
109 HH11 ARG 42 HH11 ARG 42 7.195 -3.899 1.021
110 HH12 ARG 42 HH12 ARG 42 7.361 -4.691 -0.510
111 HH21 ARG 42 HH21 ARG 42 10.773 -5.208 -0.171
112 HH22 ARG 42 HH22 ARG 42 9.386 -5.432 -1.184
113 H ASP 43 H ASP 43 5.883 1.109 3.696
114 HA ASP 43 HA ASP 43 4.856 0.794 6.489
115 HB2 ASP 43 HB2 ASP 43 6.957 2.392 5.473
116 HB3 ASP 43 HB3 ASP 43 5.635 3.500 5.842
117 H PHE 44 H PHE 44 3.384 2.795 7.056
118 HA PHE 44 HA PHE 44 1.174 2.753 5.169
119 HB2 PHE 44 HB2 PHE 44 1.397 3.197 7.883
120 HB3 PHE 44 HB3 PHE 44 1.080 4.816 7.257
121 HD1 PHE 44 HD1 PHE 44 -0.083 1.299 6.617
122 HD2 PHE 44 HD2 PHE 44 -1.155 5.433 7.077
123 HE1 PHE 44 HE1 PHE 44 -2.472 0.714 6.307
124 HE2 PHE 44 HE2 PHE 44 -3.544 4.848 6.768
125 HZ PHE 44 HZ PHE 44 -4.203 2.488 6.383
126 H SER 45 H SER 45 3.720 5.043 6.026
127 HA SER 45 HA SER 45 2.741 7.387 4.829
128 HB2 SER 45 HB2 SER 45 5.608 6.464 4.559
129 HB3 SER 45 HB3 SER 45 5.008 8.118 4.667
130 HG SER 45 HG SER 45 4.090 6.930 6.783
131 H ALA 46 H ALA 46 4.422 4.646 3.288
132 HA ALA 46 HA ALA 46 4.106 5.873 0.630
133 HB1 ALA 46 HB1 ALA 46 5.189 3.780 -0.171
134 HB2 ALA 46 HB2 ALA 46 5.152 3.153 1.477
135 HB3 ALA 46 HB3 ALA 46 6.130 4.569 1.094
136 H MET 47 H MET 47 2.646 3.296 2.561
137 HA MET 47 HA MET 47 1.025 2.227 0.424
138 HB2 MET 47 HB2 MET 47 1.603 1.186 2.745
139 HB3 MET 47 HB3 MET 47 0.228 2.125 3.326
140 HG2 MET 47 HG2 MET 47 -1.009 0.336 2.676
141 HG3 MET 47 HG3 MET 47 -0.802 0.988 1.050
142 HE1 MET 47 HE1 MET 47 -1.301 -1.033 0.054
143 HE2 MET 47 HE2 MET 47 -1.322 -2.246 1.342
144 HE3 MET 47 HE3 MET 47 -0.301 -2.477 -0.076
145 H THR 48 H THR 48 0.690 4.925 2.633
146 HA THR 48 HA THR 48 -2.150 5.289 2.286
147 HB THR 48 HB THR 48 -1.475 7.736 2.940
148 HG1 THR 48 HG1 THR 48 0.573 7.783 3.920
149 HG21 THR 48 HG21 THR 48 -0.986 6.837 5.333
150 HG22 THR 48 HG22 THR 48 -1.234 5.246 4.613
151 HG23 THR 48 HG23 THR 48 -2.533 6.438 4.586
152 H LYS 49 H LYS 49 0.700 6.746 0.696
153 HA LYS 49 HA LYS 49 -0.643 8.522 -1.031
154 HB2 LYS 49 HB2 LYS 49 1.851 6.856 -1.459
155 HB3 LYS 49 HB3 LYS 49 1.295 8.059 -2.623
156 HG2 LYS 49 HG2 LYS 49 1.451 9.820 -0.943
157 HG3 LYS 49 HG3 LYS 49 1.886 8.640 0.294
158 HD2 LYS 49 HD2 LYS 49 4.047 8.598 -0.365
159 HD3 LYS 49 HD3 LYS 49 3.602 8.459 -2.065
160 HE2 LYS 49 HE2 LYS 49 3.202 10.869 -2.194
161 HE3 LYS 49 HE3 LYS 49 3.551 11.039 -0.473
162 HZ1 LYS 49 HZ1 LYS 49 5.366 11.267 -2.462
163 HZ2 LYS 49 HZ2 LYS 49 5.611 9.672 -1.940
164 HZ3 LYS 49 HZ3 LYS 49 5.734 10.955 -0.834
165 H HIS 50 H HIS 50 -0.080 5.049 -1.306
166 HA HIS 50 HA HIS 50 -0.983 4.606 -3.929
167 HB2 HIS 50 HB2 HIS 50 -0.224 2.638 -3.024
168 HB3 HIS 50 HB3 HIS 50 -0.868 3.006 -1.425
169 HD1 HIS 50 HD1 HIS 50 -3.185 3.303 -4.308
170 HD2 HIS 50 HD2 HIS 50 -2.224 0.440 -1.438
171 HE1 HIS 50 HE1 HIS 50 -5.031 1.581 -4.374
172 H LEU 51 H LEU 51 -2.910 4.809 -0.914
173 HA LEU 51 HA LEU 51 -5.433 4.371 -2.236
174 HB2 LEU 51 HB2 LEU 51 -4.719 5.727 0.380
175 HB3 LEU 51 HB3 LEU 51 -6.380 5.472 -0.153
176 HG LEU 51 HG LEU 51 -5.815 3.009 -0.385
177 HD11 LEU 51 HD11 LEU 51 -3.456 2.953 -0.474
178 HD12 LEU 51 HD12 LEU 51 -3.819 2.386 1.156
179 HD13 LEU 51 HD13 LEU 51 -3.292 4.049 0.898
180 HD21 LEU 51 HD21 LEU 51 -7.080 3.395 1.518
181 HD22 LEU 51 HD22 LEU 51 -5.920 4.549 2.180
182 HD23 LEU 51 HD23 LEU 51 -5.593 2.817 2.269
183 H ARG 52 H ARG 52 -3.564 7.284 -1.443
184 HA ARG 52 HA ARG 52 -5.591 9.105 -2.463
185 HB2 ARG 52 HB2 ARG 52 -2.731 9.348 -1.578
186 HB3 ARG 52 HB3 ARG 52 -3.460 10.666 -2.496
187 HG2 ARG 52 HG2 ARG 52 -5.004 9.530 -0.199
188 HG3 ARG 52 HG3 ARG 52 -3.636 10.586 0.158
189 HD2 ARG 52 HD2 ARG 52 -5.726 11.380 -1.866
190 HD3 ARG 52 HD3 ARG 52 -5.958 11.693 -0.145
191 HE ARG 52 HE ARG 52 -3.937 12.976 -1.882
192 HH11 ARG 52 HH11 ARG 52 -5.266 12.364 1.241
193 HH12 ARG 52 HH12 ARG 52 -4.505 13.734 1.979
194 HH21 ARG 52 HH21 ARG 52 -2.937 14.766 -0.937
195 HH22 ARG 52 HH22 ARG 52 -3.187 15.094 0.745
196 H THR 53 H THR 53 -3.122 7.139 -3.837
197 HA THR 53 HA THR 53 -3.108 8.699 -6.363
198 HB THR 53 HB THR 53 -1.082 7.393 -5.083
199 HG1 THR 53 HG1 THR 53 -1.160 7.425 -7.892
200 HG21 THR 53 HG21 THR 53 -2.374 5.225 -5.685
201 HG22 THR 53 HG22 THR 53 -0.647 5.280 -6.031
202 HG23 THR 53 HG23 THR 53 -1.816 5.521 -7.329
203 H HIS 54 H HIS 54 -4.736 6.112 -4.898
204 HA HIS 54 HA HIS 54 -5.246 4.111 -6.628
205 HB2 HIS 54 HB2 HIS 54 -6.832 5.529 -4.712
206 HB3 HIS 54 HB3 HIS 54 -7.841 5.186 -6.116
207 HD1 HIS 54 HD1 HIS 54 -6.969 2.492 -7.024
208 HD2 HIS 54 HD2 HIS 54 -7.244 3.426 -2.971
209 HE1 HIS 54 HE1 HIS 54 -7.223 0.291 -5.799
210 H GLY 55 H GLY 55 -6.351 7.452 -7.154
211 HA2 GLY 55 HA2 GLY 55 -6.042 7.856 -9.769
212 HA3 GLY 55 HA3 GLY 55 -7.368 6.694 -9.833
Start of MODEL 14
1 H1 GLU 29 H1 GLU 29 5.094 -3.895 11.000
2 H2 GLU 29 H2 GLU 29 5.558 -5.517 11.196
3 H3 GLU 29 H3 GLU 29 4.380 -5.100 10.044
4 HA GLU 29 HA GLU 29 6.290 -3.604 9.102
5 HB2 GLU 29 HB2 GLU 29 7.830 -4.207 10.960
6 HB3 GLU 29 HB3 GLU 29 7.745 -5.896 10.458
7 HG2 GLU 29 HG2 GLU 29 8.785 -5.415 8.352
8 HG3 GLU 29 HG3 GLU 29 8.619 -3.677 8.595
9 H LYS 30 H LYS 30 5.113 -6.861 9.508
10 HA LYS 30 HA LYS 30 6.124 -8.181 7.265
11 HB2 LYS 30 HB2 LYS 30 3.189 -8.396 7.826
12 HB3 LYS 30 HB3 LYS 30 4.361 -9.674 7.502
13 HG2 LYS 30 HG2 LYS 30 5.436 -8.996 9.752
14 HG3 LYS 30 HG3 LYS 30 3.927 -8.139 10.063
15 HD2 LYS 30 HD2 LYS 30 3.822 -10.405 11.006
16 HD3 LYS 30 HD3 LYS 30 2.670 -10.242 9.681
17 HE2 LYS 30 HE2 LYS 30 3.797 -11.708 8.347
18 HE3 LYS 30 HE3 LYS 30 5.376 -11.138 8.888
19 HZ1 LYS 30 HZ1 LYS 30 5.409 -13.076 9.982
20 HZ2 LYS 30 HZ2 LYS 30 3.725 -13.273 9.929
21 HZ3 LYS 30 HZ3 LYS 30 4.425 -12.275 11.113
22 HA PRO 31 HA PRO 31 4.655 -5.770 3.854
23 HB2 PRO 31 HB2 PRO 31 4.880 -7.643 1.876
24 HB3 PRO 31 HB3 PRO 31 6.275 -6.816 2.593
25 HG2 PRO 31 HG2 PRO 31 5.225 -9.548 3.106
26 HG3 PRO 31 HG3 PRO 31 6.899 -8.974 3.032
27 HD2 PRO 31 HD2 PRO 31 5.557 -9.453 5.391
28 HD3 PRO 31 HD3 PRO 31 6.907 -8.308 5.237
29 H PHE 32 H PHE 32 2.787 -5.520 2.508
30 HA PHE 32 HA PHE 32 0.777 -7.689 2.493
31 HB2 PHE 32 HB2 PHE 32 0.610 -5.911 4.525
32 HB3 PHE 32 HB3 PHE 32 -0.288 -5.032 3.288
33 HD1 PHE 32 HD1 PHE 32 0.003 -8.483 4.734
34 HD2 PHE 32 HD2 PHE 32 -2.558 -5.500 3.002
35 HE1 PHE 32 HE1 PHE 32 -1.962 -9.946 5.120
36 HE2 PHE 32 HE2 PHE 32 -4.522 -6.964 3.386
37 HZ PHE 32 HZ PHE 32 -4.224 -9.186 4.446
38 H SER 33 H SER 33 -1.106 -7.051 1.055
39 HA SER 33 HA SER 33 -0.155 -5.180 -1.080
40 HB2 SER 33 HB2 SER 33 -2.163 -7.308 -1.677
41 HB3 SER 33 HB3 SER 33 -0.906 -6.633 -2.709
42 HG SER 33 HG SER 33 -0.009 -7.943 -0.453
43 H CYS 34 H CYS 34 -1.884 -4.008 -2.219
44 HA CYS 34 HA CYS 34 -3.850 -2.940 -0.391
45 HB2 CYS 34 HB2 CYS 34 -2.839 -1.633 -2.265
46 HB3 CYS 34 HB3 CYS 34 -3.718 -2.649 -3.408
47 H SER 35 H SER 35 -6.237 -2.751 -1.526
48 HA SER 35 HA SER 35 -7.203 -5.533 -1.537
49 HB2 SER 35 HB2 SER 35 -8.820 -4.425 -0.391
50 HB3 SER 35 HB3 SER 35 -8.344 -2.865 -1.058
51 HG SER 35 HG SER 35 -10.084 -3.094 -2.218
52 H LEU 36 H LEU 36 -7.937 -2.708 -3.624
53 HA LEU 36 HA LEU 36 -8.067 -4.628 -5.916
54 HB2 LEU 36 HB2 LEU 36 -10.236 -3.584 -5.426
55 HB3 LEU 36 HB3 LEU 36 -9.504 -1.984 -5.536
56 HG LEU 36 HG LEU 36 -8.912 -2.404 -7.889
57 HD11 LEU 36 HD11 LEU 36 -9.962 -5.116 -7.182
58 HD12 LEU 36 HD12 LEU 36 -8.578 -4.677 -8.183
59 HD13 LEU 36 HD13 LEU 36 -10.213 -4.528 -8.825
60 HD21 LEU 36 HD21 LEU 36 -11.725 -2.596 -6.908
61 HD22 LEU 36 HD22 LEU 36 -11.448 -2.883 -8.626
62 HD23 LEU 36 HD23 LEU 36 -10.965 -1.351 -7.899
63 H CYS 37 H CYS 37 -5.859 -4.410 -6.498
64 HA CYS 37 HA CYS 37 -5.047 -2.684 -8.428
65 HB2 CYS 37 HB2 CYS 37 -3.686 -0.960 -6.965
66 HB3 CYS 37 HB3 CYS 37 -5.383 -0.655 -7.331
67 HA PRO 38 HA PRO 38 -1.968 -5.897 -7.422
68 HB2 PRO 38 HB2 PRO 38 -0.923 -4.765 -9.984
69 HB3 PRO 38 HB3 PRO 38 -1.145 -6.459 -9.508
70 HG2 PRO 38 HG2 PRO 38 -2.824 -5.244 -11.186
71 HG3 PRO 38 HG3 PRO 38 -3.379 -6.452 -10.015
72 HD2 PRO 38 HD2 PRO 38 -3.760 -3.500 -9.990
73 HD3 PRO 38 HD3 PRO 38 -4.770 -4.775 -9.275
74 H GLN 39 H GLN 39 -1.389 -4.165 -5.683
75 HA GLN 39 HA GLN 39 1.318 -3.124 -6.346
76 HB2 GLN 39 HB2 GLN 39 0.885 -0.954 -5.613
77 HB3 GLN 39 HB3 GLN 39 -0.638 -1.353 -6.408
78 HG2 GLN 39 HG2 GLN 39 -1.442 -0.583 -4.378
79 HG3 GLN 39 HG3 GLN 39 -1.251 -2.296 -4.000
80 HE21 GLN 39 HE21 GLN 39 0.997 0.539 -4.128
81 HE22 GLN 39 HE22 GLN 39 1.696 0.231 -2.612
82 H ARG 40 H ARG 40 2.733 -3.095 -4.539
83 HA ARG 40 HA ARG 40 1.622 -4.369 -2.069
84 HB2 ARG 40 HB2 ARG 40 4.498 -4.692 -2.874
85 HB3 ARG 40 HB3 ARG 40 3.490 -5.755 -1.892
86 HG2 ARG 40 HG2 ARG 40 2.986 -5.287 -4.840
87 HG3 ARG 40 HG3 ARG 40 3.999 -6.599 -4.239
88 HD2 ARG 40 HD2 ARG 40 1.117 -6.145 -3.419
89 HD3 ARG 40 HD3 ARG 40 1.640 -7.314 -4.631
90 HE ARG 40 HE ARG 40 2.000 -7.563 -1.722
91 HH11 ARG 40 HH11 ARG 40 2.860 -8.544 -4.914
92 HH12 ARG 40 HH12 ARG 40 3.476 -10.084 -4.417
93 HH21 ARG 40 HH21 ARG 40 2.799 -9.570 -1.055
94 HH22 ARG 40 HH22 ARG 40 3.442 -10.665 -2.232
95 H SER 41 H SER 41 2.375 -3.538 -0.087
96 HA SER 41 HA SER 41 4.276 -1.247 -0.231
97 HB2 SER 41 HB2 SER 41 2.604 -0.334 1.672
98 HB3 SER 41 HB3 SER 41 2.399 0.061 -0.032
99 HG SER 41 HG SER 41 1.156 -2.070 0.021
100 H ARG 42 H ARG 42 5.665 -1.140 1.533
101 HA ARG 42 HA ARG 42 5.500 -3.416 3.431
102 HB2 ARG 42 HB2 ARG 42 7.814 -3.026 3.882
103 HB3 ARG 42 HB3 ARG 42 7.630 -2.834 2.138
104 HG2 ARG 42 HG2 ARG 42 7.324 -0.344 2.563
105 HG3 ARG 42 HG3 ARG 42 7.839 -0.650 4.222
106 HD2 ARG 42 HD2 ARG 42 9.943 -0.346 3.433
107 HD3 ARG 42 HD3 ARG 42 9.770 -1.967 2.759
108 HE ARG 42 HE ARG 42 8.645 -0.134 0.903
109 HH11 ARG 42 HH11 ARG 42 11.651 -0.988 2.360
110 HH12 ARG 42 HH12 ARG 42 12.602 -0.502 0.997
111 HH21 ARG 42 HH21 ARG 42 9.869 0.506 -0.886
112 HH22 ARG 42 HH22 ARG 42 11.593 0.343 -0.843
113 H ASP 43 H ASP 43 5.754 0.136 3.423
114 HA ASP 43 HA ASP 43 4.977 0.083 6.312
115 HB2 ASP 43 HB2 ASP 43 7.160 1.332 5.115
116 HB3 ASP 43 HB3 ASP 43 5.991 2.637 5.318
117 H PHE 44 H PHE 44 3.538 1.907 6.971
118 HA PHE 44 HA PHE 44 1.275 2.136 5.221
119 HB2 PHE 44 HB2 PHE 44 1.260 2.333 7.758
120 HB3 PHE 44 HB3 PHE 44 1.918 3.957 7.554
121 HD1 PHE 44 HD1 PHE 44 -0.788 1.866 5.992
122 HD2 PHE 44 HD2 PHE 44 0.357 5.674 7.614
123 HE1 PHE 44 HE1 PHE 44 -3.070 2.736 5.559
124 HE2 PHE 44 HE2 PHE 44 -1.924 6.545 7.182
125 HZ PHE 44 HZ PHE 44 -3.638 5.076 6.154
126 H SER 45 H SER 45 4.068 4.197 5.841
127 HA SER 45 HA SER 45 3.245 6.616 4.700
128 HB2 SER 45 HB2 SER 45 5.891 5.176 4.697
129 HB3 SER 45 HB3 SER 45 5.709 6.714 3.859
130 HG SER 45 HG SER 45 4.909 7.565 5.860
131 H ALA 46 H ALA 46 4.666 3.812 2.984
132 HA ALA 46 HA ALA 46 4.178 5.002 0.371
133 HB1 ALA 46 HB1 ALA 46 4.527 2.056 0.636
134 HB2 ALA 46 HB2 ALA 46 5.856 3.065 1.206
135 HB3 ALA 46 HB3 ALA 46 5.312 3.187 -0.467
136 H MET 47 H MET 47 2.418 2.904 2.555
137 HA MET 47 HA MET 47 0.511 1.955 0.590
138 HB2 MET 47 HB2 MET 47 1.084 1.083 3.030
139 HB3 MET 47 HB3 MET 47 -0.200 2.201 3.491
140 HG2 MET 47 HG2 MET 47 -1.788 1.095 2.063
141 HG3 MET 47 HG3 MET 47 -0.523 0.117 1.320
142 HE1 MET 47 HE1 MET 47 -3.419 -0.273 3.287
143 HE2 MET 47 HE2 MET 47 -3.078 -1.953 3.727
144 HE3 MET 47 HE3 MET 47 -2.829 -1.403 2.071
145 H THR 48 H THR 48 0.877 4.877 2.428
146 HA THR 48 HA THR 48 -1.912 5.698 2.219
147 HB THR 48 HB THR 48 -0.734 8.014 2.706
148 HG1 THR 48 HG1 THR 48 1.344 7.757 2.692
149 HG21 THR 48 HG21 THR 48 -0.379 7.013 5.162
150 HG22 THR 48 HG22 THR 48 -1.242 5.651 4.449
151 HG23 THR 48 HG23 THR 48 -1.987 7.249 4.477
152 H LYS 49 H LYS 49 1.108 6.774 0.603
153 HA LYS 49 HA LYS 49 -0.051 8.566 -1.228
154 HB2 LYS 49 HB2 LYS 49 2.295 6.677 -1.575
155 HB3 LYS 49 HB3 LYS 49 1.872 7.925 -2.748
156 HG2 LYS 49 HG2 LYS 49 2.588 9.629 -1.397
157 HG3 LYS 49 HG3 LYS 49 2.073 8.813 0.078
158 HD2 LYS 49 HD2 LYS 49 4.003 7.377 0.054
159 HD3 LYS 49 HD3 LYS 49 4.458 7.923 -1.561
160 HE2 LYS 49 HE2 LYS 49 4.653 10.266 -0.575
161 HE3 LYS 49 HE3 LYS 49 4.517 9.512 1.012
162 HZ1 LYS 49 HZ1 LYS 49 6.529 8.495 0.812
163 HZ2 LYS 49 HZ2 LYS 49 6.836 9.889 -0.106
164 HZ3 LYS 49 HZ3 LYS 49 6.466 8.424 -0.885
165 H HIS 50 H HIS 50 0.228 5.052 -1.352
166 HA HIS 50 HA HIS 50 -0.686 4.599 -3.982
167 HB2 HIS 50 HB2 HIS 50 0.007 2.642 -2.951
168 HB3 HIS 50 HB3 HIS 50 -0.773 3.051 -1.423
169 HD1 HIS 50 HD1 HIS 50 -2.883 3.468 -4.418
170 HD2 HIS 50 HD2 HIS 50 -2.121 0.455 -1.641
171 HE1 HIS 50 HE1 HIS 50 -4.744 1.777 -4.670
172 H LEU 51 H LEU 51 -2.566 5.065 -0.974
173 HA LEU 51 HA LEU 51 -5.113 4.784 -2.349
174 HB2 LEU 51 HB2 LEU 51 -5.169 6.373 0.114
175 HB3 LEU 51 HB3 LEU 51 -5.996 4.862 -0.266
176 HG LEU 51 HG LEU 51 -3.068 5.078 0.491
177 HD11 LEU 51 HD11 LEU 51 -4.405 5.617 2.426
178 HD12 LEU 51 HD12 LEU 51 -3.872 3.945 2.603
179 HD13 LEU 51 HD13 LEU 51 -5.522 4.296 2.086
180 HD21 LEU 51 HD21 LEU 51 -3.254 3.108 -0.755
181 HD22 LEU 51 HD22 LEU 51 -4.923 2.833 -0.253
182 HD23 LEU 51 HD23 LEU 51 -3.602 2.528 0.874
183 H ARG 52 H ARG 52 -2.952 7.449 -1.569
184 HA ARG 52 HA ARG 52 -4.870 9.509 -2.349
185 HB2 ARG 52 HB2 ARG 52 -2.095 9.393 -1.364
186 HB3 ARG 52 HB3 ARG 52 -2.380 10.677 -2.541
187 HG2 ARG 52 HG2 ARG 52 -4.159 10.202 -0.138
188 HG3 ARG 52 HG3 ARG 52 -2.811 11.339 -0.137
189 HD2 ARG 52 HD2 ARG 52 -4.308 12.850 -0.917
190 HD3 ARG 52 HD3 ARG 52 -4.151 12.005 -2.458
191 HE ARG 52 HE ARG 52 -6.301 11.077 -2.110
192 HH11 ARG 52 HH11 ARG 52 -4.981 12.470 0.753
193 HH12 ARG 52 HH12 ARG 52 -6.446 12.315 1.664
194 HH21 ARG 52 HH21 ARG 52 -8.222 10.868 -0.939
195 HH22 ARG 52 HH22 ARG 52 -8.282 11.409 0.706
196 H THR 53 H THR 53 -2.354 7.611 -3.875
197 HA THR 53 HA THR 53 -2.432 9.182 -6.357
198 HB THR 53 HB THR 53 -0.459 7.726 -5.276
199 HG1 THR 53 HG1 THR 53 -0.656 7.467 -8.035
200 HG21 THR 53 HG21 THR 53 -0.341 5.514 -5.995
201 HG22 THR 53 HG22 THR 53 -1.467 5.779 -7.326
202 HG23 THR 53 HG23 THR 53 -2.066 5.677 -5.671
203 H HIS 54 H HIS 54 -4.196 6.624 -4.941
204 HA HIS 54 HA HIS 54 -4.963 4.851 -6.855
205 HB2 HIS 54 HB2 HIS 54 -6.239 6.032 -4.588
206 HB3 HIS 54 HB3 HIS 54 -7.420 5.967 -5.894
207 HD1 HIS 54 HD1 HIS 54 -6.601 3.377 -7.293
208 HD2 HIS 54 HD2 HIS 54 -6.843 3.735 -3.148
209 HE1 HIS 54 HE1 HIS 54 -6.928 1.033 -6.391
210 H GLY 55 H GLY 55 -4.607 5.724 -8.973
211 HA2 GLY 55 HA2 GLY 55 -6.743 7.624 -9.864
212 HA3 GLY 55 HA3 GLY 55 -5.111 7.649 -10.536
Start of MODEL 15
1 H1 GLU 29 H1 GLU 29 6.022 -8.650 11.211
2 H2 GLU 29 H2 GLU 29 5.027 -9.653 10.267
3 H3 GLU 29 H3 GLU 29 4.571 -8.045 10.575
4 HA GLU 29 HA GLU 29 6.008 -7.171 9.066
5 HB2 GLU 29 HB2 GLU 29 7.707 -9.301 10.115
6 HB3 GLU 29 HB3 GLU 29 7.887 -9.112 8.370
7 HG2 GLU 29 HG2 GLU 29 8.348 -6.735 8.627
8 HG3 GLU 29 HG3 GLU 29 8.037 -6.830 10.360
9 H LYS 30 H LYS 30 4.124 -9.861 9.058
10 HA LYS 30 HA LYS 30 4.443 -11.231 6.675
11 HB2 LYS 30 HB2 LYS 30 1.954 -11.394 6.580
12 HB3 LYS 30 HB3 LYS 30 2.587 -11.700 8.197
13 HG2 LYS 30 HG2 LYS 30 1.971 -9.520 8.957
14 HG3 LYS 30 HG3 LYS 30 1.659 -8.960 7.313
15 HD2 LYS 30 HD2 LYS 30 -0.051 -11.037 7.376
16 HD3 LYS 30 HD3 LYS 30 -0.032 -10.644 9.095
17 HE2 LYS 30 HE2 LYS 30 -1.805 -9.366 8.043
18 HE3 LYS 30 HE3 LYS 30 -0.511 -8.254 8.493
19 HZ1 LYS 30 HZ1 LYS 30 -1.155 -9.323 5.810
20 HZ2 LYS 30 HZ2 LYS 30 0.344 -8.611 6.156
21 HZ3 LYS 30 HZ3 LYS 30 -1.083 -7.700 6.307
22 HA PRO 31 HA PRO 31 4.372 -8.598 3.156
23 HB2 PRO 31 HB2 PRO 31 1.952 -10.129 2.286
24 HB3 PRO 31 HB3 PRO 31 3.436 -9.760 1.387
25 HG2 PRO 31 HG2 PRO 31 2.969 -12.175 2.455
26 HG3 PRO 31 HG3 PRO 31 4.595 -11.490 2.317
27 HD2 PRO 31 HD2 PRO 31 2.957 -11.917 4.741
28 HD3 PRO 31 HD3 PRO 31 4.713 -11.704 4.591
29 H PHE 32 H PHE 32 3.160 -6.812 2.249
30 HA PHE 32 HA PHE 32 0.576 -6.222 3.628
31 HB2 PHE 32 HB2 PHE 32 3.040 -4.517 3.393
32 HB3 PHE 32 HB3 PHE 32 1.453 -3.751 3.467
33 HD1 PHE 32 HD1 PHE 32 3.715 -6.124 5.239
34 HD2 PHE 32 HD2 PHE 32 0.257 -3.590 5.512
35 HE1 PHE 32 HE1 PHE 32 3.665 -6.457 7.697
36 HE2 PHE 32 HE2 PHE 32 0.207 -3.923 7.969
37 HZ PHE 32 HZ PHE 32 1.910 -5.357 9.062
38 H SER 33 H SER 33 -0.397 -6.965 1.601
39 HA SER 33 HA SER 33 0.197 -5.419 -0.833
40 HB2 SER 33 HB2 SER 33 -1.984 -6.876 -1.493
41 HB3 SER 33 HB3 SER 33 -0.347 -7.525 -1.547
42 HG SER 33 HG SER 33 -0.749 -8.689 0.180
43 H CYS 34 H CYS 34 -1.594 -4.294 -1.989
44 HA CYS 34 HA CYS 34 -3.028 -2.535 -0.187
45 HB2 CYS 34 HB2 CYS 34 -2.259 -1.684 -2.331
46 HB3 CYS 34 HB3 CYS 34 -3.192 -2.909 -3.191
47 H SER 35 H SER 35 -5.519 -2.181 -0.871
48 HA SER 35 HA SER 35 -6.836 -4.698 -0.152
49 HB2 SER 35 HB2 SER 35 -7.380 -2.009 0.304
50 HB3 SER 35 HB3 SER 35 -8.600 -2.483 -0.874
51 HG SER 35 HG SER 35 -8.073 -4.234 1.231
52 H LEU 36 H LEU 36 -6.842 -2.470 -2.945
53 HA LEU 36 HA LEU 36 -7.902 -4.732 -4.573
54 HB2 LEU 36 HB2 LEU 36 -9.516 -2.660 -3.831
55 HB3 LEU 36 HB3 LEU 36 -8.858 -2.045 -5.347
56 HG LEU 36 HG LEU 36 -10.056 -4.809 -5.059
57 HD11 LEU 36 HD11 LEU 36 -11.581 -2.871 -6.617
58 HD12 LEU 36 HD12 LEU 36 -11.439 -2.390 -4.926
59 HD13 LEU 36 HD13 LEU 36 -12.129 -3.958 -5.342
60 HD21 LEU 36 HD21 LEU 36 -8.861 -3.181 -7.247
61 HD22 LEU 36 HD22 LEU 36 -10.284 -4.136 -7.661
62 HD23 LEU 36 HD23 LEU 36 -8.848 -4.928 -7.012
63 H CYS 37 H CYS 37 -5.820 -5.014 -5.498
64 HA CYS 37 HA CYS 37 -5.155 -3.960 -7.892
65 HB2 CYS 37 HB2 CYS 37 -3.399 -2.135 -7.183
66 HB3 CYS 37 HB3 CYS 37 -5.096 -1.692 -7.345
67 HA PRO 38 HA PRO 38 -1.862 -6.783 -6.950
68 HB2 PRO 38 HB2 PRO 38 -0.523 -6.617 -9.332
69 HB3 PRO 38 HB3 PRO 38 -2.038 -7.516 -9.126
70 HG2 PRO 38 HG2 PRO 38 -1.577 -4.825 -10.303
71 HG3 PRO 38 HG3 PRO 38 -2.709 -6.097 -10.794
72 HD2 PRO 38 HD2 PRO 38 -3.460 -3.879 -9.352
73 HD3 PRO 38 HD3 PRO 38 -4.319 -5.433 -9.283
74 H GLN 39 H GLN 39 -1.090 -4.938 -5.402
75 HA GLN 39 HA GLN 39 1.684 -4.290 -6.149
76 HB2 GLN 39 HB2 GLN 39 1.474 -1.909 -5.714
77 HB3 GLN 39 HB3 GLN 39 0.305 -2.351 -6.959
78 HG2 GLN 39 HG2 GLN 39 -1.326 -2.706 -4.945
79 HG3 GLN 39 HG3 GLN 39 -0.181 -1.692 -4.066
80 HE21 GLN 39 HE21 GLN 39 -1.974 -0.045 -3.989
81 HE22 GLN 39 HE22 GLN 39 -2.250 0.937 -5.346
82 H ARG 40 H ARG 40 2.886 -3.440 -4.214
83 HA ARG 40 HA ARG 40 1.514 -3.987 -1.636
84 HB2 ARG 40 HB2 ARG 40 3.589 -5.260 -0.901
85 HB3 ARG 40 HB3 ARG 40 2.578 -6.091 -2.084
86 HG2 ARG 40 HG2 ARG 40 4.081 -5.091 -3.883
87 HG3 ARG 40 HG3 ARG 40 5.171 -4.614 -2.581
88 HD2 ARG 40 HD2 ARG 40 5.013 -7.099 -1.837
89 HD3 ARG 40 HD3 ARG 40 4.399 -7.389 -3.465
90 HE ARG 40 HE ARG 40 6.673 -5.983 -3.987
91 HH11 ARG 40 HH11 ARG 40 5.935 -8.618 -1.891
92 HH12 ARG 40 HH12 ARG 40 7.518 -9.314 -1.989
93 HH21 ARG 40 HH21 ARG 40 8.745 -6.877 -4.129
94 HH22 ARG 40 HH22 ARG 40 9.109 -8.328 -3.256
95 H SER 41 H SER 41 2.383 -2.818 0.115
96 HA SER 41 HA SER 41 4.567 -0.899 -0.596
97 HB2 SER 41 HB2 SER 41 2.581 -0.037 1.425
98 HB3 SER 41 HB3 SER 41 3.352 0.888 0.140
99 HG SER 41 HG SER 41 1.934 -0.047 -1.328
100 H ARG 42 H ARG 42 5.815 -0.150 1.298
101 HA ARG 42 HA ARG 42 6.138 -2.337 3.257
102 HB2 ARG 42 HB2 ARG 42 7.780 -0.014 2.341
103 HB3 ARG 42 HB3 ARG 42 8.061 -0.625 3.972
104 HG2 ARG 42 HG2 ARG 42 8.515 -2.847 3.134
105 HG3 ARG 42 HG3 ARG 42 8.031 -2.382 1.503
106 HD2 ARG 42 HD2 ARG 42 10.399 -1.278 3.043
107 HD3 ARG 42 HD3 ARG 42 10.477 -2.389 1.678
108 HE ARG 42 HE ARG 42 9.577 -0.555 0.258
109 HH11 ARG 42 HH11 ARG 42 10.706 0.180 3.439
110 HH12 ARG 42 HH12 ARG 42 10.970 1.856 3.096
111 HH21 ARG 42 HH21 ARG 42 9.918 1.627 -0.197
112 HH22 ARG 42 HH22 ARG 42 10.525 2.675 1.041
113 H ASP 43 H ASP 43 6.346 1.203 3.694
114 HA ASP 43 HA ASP 43 5.033 0.887 6.328
115 HB2 ASP 43 HB2 ASP 43 7.118 2.292 6.003
116 HB3 ASP 43 HB3 ASP 43 6.127 3.417 5.073
117 H PHE 44 H PHE 44 3.152 2.161 6.896
118 HA PHE 44 HA PHE 44 1.108 2.220 4.925
119 HB2 PHE 44 HB2 PHE 44 0.992 2.342 7.557
120 HB3 PHE 44 HB3 PHE 44 1.016 4.083 7.278
121 HD1 PHE 44 HD1 PHE 44 -0.622 1.066 5.743
122 HD2 PHE 44 HD2 PHE 44 -1.067 5.102 7.144
123 HE1 PHE 44 HE1 PHE 44 -3.029 1.007 5.148
124 HE2 PHE 44 HE2 PHE 44 -3.474 5.043 6.549
125 HZ PHE 44 HZ PHE 44 -4.454 2.996 5.551
126 H SER 45 H SER 45 3.372 4.718 6.006
127 HA SER 45 HA SER 45 2.243 7.007 4.862
128 HB2 SER 45 HB2 SER 45 4.270 7.940 5.280
129 HB3 SER 45 HB3 SER 45 4.694 6.376 5.966
130 HG SER 45 HG SER 45 6.120 7.226 4.273
131 H ALA 46 H ALA 46 4.212 4.504 3.257
132 HA ALA 46 HA ALA 46 3.927 5.774 0.641
133 HB1 ALA 46 HB1 ALA 46 5.892 4.505 0.787
134 HB2 ALA 46 HB2 ALA 46 4.812 3.405 -0.070
135 HB3 ALA 46 HB3 ALA 46 5.095 3.194 1.658
136 H MET 47 H MET 47 2.326 3.217 2.462
137 HA MET 47 HA MET 47 0.754 2.231 0.239
138 HB2 MET 47 HB2 MET 47 1.266 1.228 2.671
139 HB3 MET 47 HB3 MET 47 -0.270 2.016 3.035
140 HG2 MET 47 HG2 MET 47 -0.887 0.810 0.678
141 HG3 MET 47 HG3 MET 47 0.285 -0.338 1.326
142 HE1 MET 47 HE1 MET 47 -1.278 -2.130 1.351
143 HE2 MET 47 HE2 MET 47 -2.179 -2.533 2.819
144 HE3 MET 47 HE3 MET 47 -0.442 -2.245 2.898
145 H THR 48 H THR 48 0.425 4.850 2.541
146 HA THR 48 HA THR 48 -2.396 5.307 2.110
147 HB THR 48 HB THR 48 -1.740 7.663 2.972
148 HG1 THR 48 HG1 THR 48 0.298 7.794 3.827
149 HG21 THR 48 HG21 THR 48 -1.930 5.078 4.281
150 HG22 THR 48 HG22 THR 48 -2.570 6.638 4.798
151 HG23 THR 48 HG23 THR 48 -0.914 6.186 5.204
152 H LYS 49 H LYS 49 0.530 6.949 0.844
153 HA LYS 49 HA LYS 49 -0.745 8.749 -0.903
154 HB2 LYS 49 HB2 LYS 49 1.828 7.201 -1.355
155 HB3 LYS 49 HB3 LYS 49 1.328 8.619 -2.276
156 HG2 LYS 49 HG2 LYS 49 1.470 8.760 0.724
157 HG3 LYS 49 HG3 LYS 49 2.941 8.934 -0.234
158 HD2 LYS 49 HD2 LYS 49 0.504 10.537 -0.954
159 HD3 LYS 49 HD3 LYS 49 1.540 11.071 0.369
160 HE2 LYS 49 HE2 LYS 49 3.503 10.932 -1.185
161 HE3 LYS 49 HE3 LYS 49 2.383 10.569 -2.498
162 HZ1 LYS 49 HZ1 LYS 49 2.974 13.078 -1.248
163 HZ2 LYS 49 HZ2 LYS 49 1.307 12.767 -1.316
164 HZ3 LYS 49 HZ3 LYS 49 2.231 12.760 -2.743
165 H HIS 50 H HIS 50 0.040 5.336 -1.314
166 HA HIS 50 HA HIS 50 -0.602 4.979 -4.019
167 HB2 HIS 50 HB2 HIS 50 0.140 2.996 -3.128
168 HB3 HIS 50 HB3 HIS 50 -0.664 3.272 -1.584
169 HD1 HIS 50 HD1 HIS 50 -2.720 3.603 -4.661
170 HD2 HIS 50 HD2 HIS 50 -1.902 0.662 -1.824
171 HE1 HIS 50 HE1 HIS 50 -4.477 1.810 -4.964
172 H LEU 51 H LEU 51 -2.797 5.018 -1.195
173 HA LEU 51 HA LEU 51 -5.188 4.475 -2.662
174 HB2 LEU 51 HB2 LEU 51 -5.250 6.343 -0.320
175 HB3 LEU 51 HB3 LEU 51 -6.325 5.001 -0.709
176 HG LEU 51 HG LEU 51 -3.468 4.778 0.283
177 HD11 LEU 51 HD11 LEU 51 -4.612 5.105 2.242
178 HD12 LEU 51 HD12 LEU 51 -4.995 3.397 2.036
179 HD13 LEU 51 HD13 LEU 51 -6.157 4.627 1.540
180 HD21 LEU 51 HD21 LEU 51 -4.079 3.022 -1.373
181 HD22 LEU 51 HD22 LEU 51 -5.485 2.612 -0.391
182 HD23 LEU 51 HD23 LEU 51 -3.860 2.356 0.246
183 H ARG 52 H ARG 52 -3.616 7.562 -1.793
184 HA ARG 52 HA ARG 52 -5.590 9.176 -3.174
185 HB2 ARG 52 HB2 ARG 52 -2.739 9.783 -2.320
186 HB3 ARG 52 HB3 ARG 52 -3.863 10.983 -2.960
187 HG2 ARG 52 HG2 ARG 52 -5.437 10.474 -1.111
188 HG3 ARG 52 HG3 ARG 52 -4.273 9.322 -0.455
189 HD2 ARG 52 HD2 ARG 52 -4.137 11.544 0.666
190 HD3 ARG 52 HD3 ARG 52 -2.630 11.105 -0.140
191 HE ARG 52 HE ARG 52 -4.491 12.747 -1.731
192 HH11 ARG 52 HH11 ARG 52 -1.765 12.515 0.367
193 HH12 ARG 52 HH12 ARG 52 -1.106 14.046 -0.101
194 HH21 ARG 52 HH21 ARG 52 -3.645 14.749 -2.355
195 HH22 ARG 52 HH22 ARG 52 -2.169 15.311 -1.643
196 H THR 53 H THR 53 -2.880 7.288 -4.124
197 HA THR 53 HA THR 53 -2.718 8.644 -6.766
198 HB THR 53 HB THR 53 -0.755 7.570 -5.105
199 HG1 THR 53 HG1 THR 53 -0.452 7.786 -7.896
200 HG21 THR 53 HG21 THR 53 -1.598 5.300 -5.895
201 HG22 THR 53 HG22 THR 53 0.115 5.613 -6.175
202 HG23 THR 53 HG23 THR 53 -1.035 5.748 -7.505
203 H HIS 54 H HIS 54 -4.390 6.169 -5.280
204 HA HIS 54 HA HIS 54 -4.459 3.891 -6.718
205 HB2 HIS 54 HB2 HIS 54 -6.429 5.410 -5.348
206 HB3 HIS 54 HB3 HIS 54 -7.149 4.904 -6.875
207 HD1 HIS 54 HD1 HIS 54 -6.304 2.173 -7.383
208 HD2 HIS 54 HD2 HIS 54 -6.913 3.459 -3.465
209 HE1 HIS 54 HE1 HIS 54 -6.690 0.087 -5.997
210 H GLY 55 H GLY 55 -5.929 6.909 -7.970
211 HA2 GLY 55 HA2 GLY 55 -5.378 5.884 -10.718
212 HA3 GLY 55 HA3 GLY 55 -6.970 6.534 -10.327