Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
9688 | 1omq RC | 5542 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 43 H ARG 43 1.884 0.000 0.829
2 HA ARG 43 HA ARG 43 1.462 0.578 -1.938
3 1HB ARG 43 2HB ARG 43 3.802 0.490 -0.052
4 2HB ARG 43 3HB ARG 43 4.162 0.203 -1.743
5 1HG ARG 43 2HG ARG 43 3.875 2.397 -2.272
6 2HG ARG 43 3HG ARG 43 2.321 2.462 -1.464
7 1HD ARG 43 2HD ARG 43 3.353 3.808 0.065
8 2HD ARG 43 3HD ARG 43 4.070 2.338 0.696
9 HE ARG 43 HE ARG 43 6.129 3.032 -0.151
10 1HH1 ARG 43 2HH2 ARG 43 3.574 4.707 -1.897
11 2HH1 ARG 43 1HH2 ARG 43 4.668 5.701 -2.800
12 1HH2 ARG 43 2HH1 ARG 43 7.573 4.344 -1.342
13 2HH2 ARG 43 1HH1 ARG 43 6.958 5.493 -2.482
14 H GLN 44 H GLN 44 3.426 -1.896 -0.109
15 HA GLN 44 HA GLN 44 2.583 -3.823 -2.119
16 1HB GLN 44 2HB GLN 44 5.343 -2.959 -1.433
17 2HB GLN 44 3HB GLN 44 5.124 -4.697 -1.483
18 1HG GLN 44 2HG GLN 44 4.447 -4.679 -3.765
19 2HG GLN 44 3HG GLN 44 4.032 -2.977 -3.731
20 1HE2 GLN 44 1HE2 GLN 44 6.159 -5.095 -4.912
21 2HE2 GLN 44 2HE2 GLN 44 7.590 -4.131 -5.067
22 H ILE 45 H ILE 45 1.729 -3.128 0.705
23 HA ILE 45 HA ILE 45 2.482 -5.658 1.992
24 HB ILE 45 HB ILE 45 1.844 -2.934 3.059
25 1HG1 ILE 45 2HG1 ILE 45 3.898 -4.666 4.291
26 2HG1 ILE 45 3HG1 ILE 45 4.202 -4.247 2.616
27 1HG2 ILE 45 1HG2 ILE 45 0.298 -4.518 4.174
28 2HG2 ILE 45 2HG2 ILE 45 1.702 -5.482 4.693
29 3HG2 ILE 45 3HG2 ILE 45 1.501 -3.813 5.279
30 1HD1 ILE 45 1HD1 ILE 45 3.245 -1.912 4.099
31 2HD1 ILE 45 2HD1 ILE 45 4.682 -2.623 4.871
32 3HD1 ILE 45 3HD1 ILE 45 4.747 -2.116 3.166
33 H LYS 46 H LYS 46 -0.021 -3.821 0.446
34 HA LYS 46 HA LYS 46 -2.104 -5.406 1.727
35 1HB LYS 46 2HB LYS 46 -2.783 -3.192 1.659
36 2HB LYS 46 3HB LYS 46 -2.038 -2.885 0.104
37 1HG LYS 46 2HG LYS 46 -3.743 -4.220 -1.050
38 2HG LYS 46 3HG LYS 46 -4.423 -4.753 0.474
39 1HD LYS 46 2HD LYS 46 -4.630 -2.093 0.891
40 2HD LYS 46 3HD LYS 46 -4.629 -2.060 -0.861
41 1HE LYS 46 2HE LYS 46 -6.443 -3.997 -0.614
42 2HE LYS 46 3HE LYS 46 -6.633 -3.354 1.005
43 1HZ LYS 46 1HZ LYS 46 -8.119 -2.231 -0.404
44 2HZ LYS 46 2HZ LYS 46 -6.938 -1.156 -0.061
45 3HZ LYS 46 3HZ LYS 46 -6.973 -1.894 -1.517
46 H ILE 47 H ILE 47 0.036 -5.490 -0.946
47 HA ILE 47 HA ILE 47 -1.838 -7.143 -2.476
48 HB ILE 47 HB ILE 47 0.032 -6.868 -4.234
49 1HG1 ILE 47 2HG1 ILE 47 1.363 -4.840 -4.055
50 2HG1 ILE 47 3HG1 ILE 47 0.676 -4.479 -2.483
51 1HG2 ILE 47 1HG2 ILE 47 -1.478 -5.556 -5.193
52 2HG2 ILE 47 2HG2 ILE 47 -2.320 -5.454 -3.627
53 3HG2 ILE 47 3HG2 ILE 47 -1.111 -4.225 -4.070
54 1HD1 ILE 47 1HD1 ILE 47 1.873 -6.164 -1.404
55 2HD1 ILE 47 2HD1 ILE 47 1.968 -7.176 -2.866
56 3HD1 ILE 47 3HD1 ILE 47 3.017 -5.746 -2.702
57 H TRP 48 H TRP 48 0.756 -7.252 -0.235
58 HA TRP 48 HA TRP 48 1.735 -9.801 -1.247
59 1HB TRP 48 2HB TRP 48 2.835 -7.636 0.271
60 2HB TRP 48 3HB TRP 48 2.924 -9.099 1.232
61 HD1 TRP 48 HD1 TRP 48 5.223 -7.375 -0.767
62 HE1 TRP 48 HE1 TRP 48 6.958 -8.836 -2.117
63 HE3 TRP 48 HE3 TRP 48 2.608 -11.724 -0.444
64 HZ2 TRP 48 HZ2 TRP 48 7.040 -11.584 -2.880
65 HZ3 TRP 48 HZ3 TRP 48 3.586 -13.750 -1.518
66 HH2 TRP 48 HH2 TRP 48 5.723 -13.728 -2.705
67 H PHE 49 H PHE 49 -0.294 -8.295 1.265
68 HA PHE 49 HA PHE 49 -0.411 -10.520 2.975
69 1HB PHE 49 2HB PHE 49 -2.018 -8.007 2.359
70 2HB PHE 49 3HB PHE 49 -2.734 -9.189 3.436
71 HD1 PHE 49 HD1 PHE 49 0.891 -8.642 3.363
72 HD2 PHE 49 HD2 PHE 49 -2.749 -7.677 5.318
73 HE1 PHE 49 HE1 PHE 49 2.181 -7.671 5.285
74 HE2 PHE 49 HE2 PHE 49 -1.460 -6.707 7.240
75 HZ PHE 49 HZ PHE 49 0.990 -6.715 7.201
76 H GLN 50 H GLN 50 -2.186 -9.571 0.023
77 HA GLN 50 HA GLN 50 -4.121 -11.642 0.449
78 1HB GLN 50 2HB GLN 50 -5.265 -10.744 -1.420
79 2HB GLN 50 3HB GLN 50 -4.557 -9.341 -0.643
80 1HG GLN 50 2HG GLN 50 -3.729 -8.863 -2.720
81 2HG GLN 50 3HG GLN 50 -2.506 -10.058 -2.336
82 1HE2 GLN 50 1HE2 GLN 50 -2.963 -9.648 -4.896
83 2HE2 GLN 50 2HE2 GLN 50 -3.846 -10.936 -5.643
84 H ASN 51 H ASN 51 -0.938 -11.406 -0.764
85 HA ASN 51 HA ASN 51 -1.311 -13.412 -2.780
86 1HB ASN 51 2HB ASN 51 0.789 -11.497 -1.982
87 2HB ASN 51 3HB ASN 51 1.463 -13.083 -2.300
88 1HD2 ASN 51 1HD2 ASN 51 0.566 -10.195 -3.626
89 2HD2 ASN 51 2HD2 ASN 51 0.431 -10.626 -5.299
90 H ARG 52 H ARG 52 0.116 -12.944 0.504
91 HA ARG 52 HA ARG 52 1.258 -15.490 0.635
92 1HB ARG 52 2HB ARG 52 1.305 -13.159 2.186
93 2HB ARG 52 3HB ARG 52 0.452 -14.283 3.225
94 1HG ARG 52 2HG ARG 52 2.506 -15.888 2.325
95 2HG ARG 52 3HG ARG 52 3.295 -14.323 2.318
96 1HD ARG 52 2HD ARG 52 1.983 -14.243 4.756
97 2HD ARG 52 3HD ARG 52 2.346 -15.953 4.626
98 HE ARG 52 HE ARG 52 4.285 -13.767 4.928
99 1HH1 ARG 52 2HH2 ARG 52 3.817 -17.116 3.953
100 2HH1 ARG 52 1HH2 ARG 52 5.478 -17.550 4.187
101 1HH2 ARG 52 2HH1 ARG 52 6.476 -14.339 5.237
102 2HH2 ARG 52 1HH1 ARG 52 7.000 -15.960 4.922
103 H ARG 53 H ARG 53 -1.992 -14.247 1.019
104 HA ARG 53 HA ARG 53 -2.983 -16.049 2.846
105 1HB ARG 53 2HB ARG 53 -4.006 -14.041 1.034
106 2HB ARG 53 3HB ARG 53 -5.001 -15.472 0.853
107 1HG ARG 53 2HG ARG 53 -5.923 -15.248 2.935
108 2HG ARG 53 3HG ARG 53 -4.383 -14.872 3.682
109 1HD ARG 53 2HD ARG 53 -4.533 -12.530 2.745
110 2HD ARG 53 3HD ARG 53 -6.109 -12.918 2.084
111 HE ARG 53 HE ARG 53 -5.460 -12.451 4.914
112 1HH1 ARG 53 2HH2 ARG 53 -7.792 -13.794 2.646
113 2HH1 ARG 53 1HH2 ARG 53 -9.115 -13.712 3.760
114 1HH2 ARG 53 2HH1 ARG 53 -7.206 -12.343 6.385
115 2HH2 ARG 53 1HH1 ARG 53 -8.780 -12.881 5.901
116 H MET 54 H MET 54 -1.867 -16.489 -0.412
117 HA MET 54 HA MET 54 -3.557 -18.721 -0.964
118 1HB MET 54 2HB MET 54 -2.707 -17.236 -2.778
119 2HB MET 54 3HB MET 54 -1.051 -17.588 -2.327
120 1HG MET 54 2HG MET 54 -1.048 -19.611 -3.416
121 2HG MET 54 3HG MET 54 -2.655 -20.028 -2.856
122 1HE MET 54 1HE MET 54 -4.224 -20.632 -5.026
123 2HE MET 54 2HE MET 54 -4.724 -19.466 -3.778
124 3HE MET 54 3HE MET 54 -5.012 -19.107 -5.497
125 H LYS 55 H LYS 55 -0.603 -18.144 0.763
126 HA LYS 55 HA LYS 55 0.720 -20.561 0.268
127 1HB LYS 55 2HB LYS 55 1.358 -18.266 1.529
128 2HB LYS 55 3HB LYS 55 0.990 -19.253 2.929
129 1HG LYS 55 2HG LYS 55 2.506 -20.988 1.343
130 2HG LYS 55 3HG LYS 55 3.266 -19.438 1.044
131 1HD LYS 55 2HD LYS 55 4.426 -20.063 2.958
132 2HD LYS 55 3HD LYS 55 3.100 -19.191 3.701
133 1HE LYS 55 2HE LYS 55 2.612 -22.099 3.151
134 2HE LYS 55 3HE LYS 55 3.793 -21.741 4.395
135 1HZ LYS 55 1HZ LYS 55 1.682 -21.837 5.394
136 2HZ LYS 55 2HZ LYS 55 2.097 -20.258 5.380
137 3HZ LYS 55 3HZ LYS 55 1.006 -20.825 4.305
138 H TRP 56 H TRP 56 -1.754 -19.570 2.700
139 HA TRP 56 HA TRP 56 -1.762 -21.736 4.326
140 1HB TRP 56 2HB TRP 56 -3.556 -19.615 3.637
141 2HB TRP 56 3HB TRP 56 -4.475 -21.100 3.780
142 HD1 TRP 56 HD1 TRP 56 -1.415 -20.256 6.025
143 HE1 TRP 56 HE1 TRP 56 -2.125 -20.120 8.563
144 HE3 TRP 56 HE3 TRP 56 -6.403 -20.795 5.202
145 HZ2 TRP 56 HZ2 TRP 56 -4.637 -20.250 9.911
146 HZ3 TRP 56 HZ3 TRP 56 -7.916 -20.780 7.183
147 HH2 TRP 56 HH2 TRP 56 -7.106 -20.519 9.475
148 H LYS 57 H LYS 57 -3.552 -21.353 1.181
149 HA LYS 57 HA LYS 57 -4.799 -23.719 1.007
150 1HB LYS 57 2HB LYS 57 -4.465 -21.686 -0.672
151 2HB LYS 57 3HB LYS 57 -3.309 -22.775 -1.413
152 1HG LYS 57 2HG LYS 57 -5.526 -24.429 -0.906
153 2HG LYS 57 3HG LYS 57 -6.256 -22.910 -1.387
154 1HD LYS 57 2HD LYS 57 -5.940 -24.003 -3.455
155 2HD LYS 57 3HD LYS 57 -4.550 -22.939 -3.371
156 1HE LYS 57 2HE LYS 57 -3.049 -24.694 -2.915
157 2HE LYS 57 3HE LYS 57 -4.287 -25.715 -2.209
158 1HZ LYS 57 1HZ LYS 57 -5.211 -25.564 -4.636
159 2HZ LYS 57 2HZ LYS 57 -3.639 -25.302 -4.995
160 3HZ LYS 57 3HZ LYS 57 -4.083 -26.670 -4.221
161 H LYS 58 H LYS 58 -4.087 -25.692 1.634
162 HA LYS 58 HA LYS 58 -1.472 -26.472 1.815
163 1HB LYS 58 2HB LYS 58 -4.002 -28.087 1.420
164 2HB LYS 58 3HB LYS 58 -2.444 -28.817 1.753
165 1HG LYS 58 2HG LYS 58 -2.397 -28.071 3.944
166 2HG LYS 58 3HG LYS 58 -3.211 -26.565 3.566
167 1HD LYS 58 2HD LYS 58 -4.716 -29.199 3.413
168 2HD LYS 58 3HD LYS 58 -4.490 -28.400 4.956
169 1HE LYS 58 2HE LYS 58 -6.483 -27.391 4.338
170 2HE LYS 58 3HE LYS 58 -5.378 -26.259 3.586
171 1HZ LYS 58 1HZ LYS 58 -5.739 -27.186 1.528
172 2HZ LYS 58 2HZ LYS 58 -6.304 -28.603 2.113
173 3HZ LYS 58 3HZ LYS 58 -7.229 -27.259 2.194
Start of MODEL 2
1 H ARG 43 H ARG 43 2.436 2.248 -1.490
2 HA ARG 43 HA ARG 43 1.804 0.436 -0.292
3 1HB ARG 43 2HB ARG 43 -0.025 1.344 -2.392
4 2HB ARG 43 3HB ARG 43 -0.366 -0.324 -1.979
5 1HG ARG 43 2HG ARG 43 -0.395 0.358 0.474
6 2HG ARG 43 3HG ARG 43 -0.229 2.027 -0.035
7 1HD ARG 43 2HD ARG 43 -2.452 0.341 -1.218
8 2HD ARG 43 3HD ARG 43 -2.643 0.994 0.397
9 HE ARG 43 HE ARG 43 -2.757 3.182 -0.495
10 1HH1 ARG 43 2HH2 ARG 43 -1.838 0.880 -2.994
11 2HH1 ARG 43 1HH2 ARG 43 -2.073 2.002 -4.293
12 1HH2 ARG 43 2HH1 ARG 43 -3.067 4.662 -2.208
13 2HH2 ARG 43 1HH1 ARG 43 -2.777 4.167 -3.843
14 H GLN 44 H GLN 44 2.644 -1.610 -0.033
15 HA GLN 44 HA GLN 44 2.231 -3.500 -2.154
16 1HB GLN 44 2HB GLN 44 4.888 -2.341 -1.502
17 2HB GLN 44 3HB GLN 44 4.863 -4.093 -1.550
18 1HG GLN 44 2HG GLN 44 3.558 -3.788 -3.817
19 2HG GLN 44 3HG GLN 44 4.156 -2.143 -3.768
20 1HE2 GLN 44 1HE2 GLN 44 5.244 -2.739 -5.735
21 2HE2 GLN 44 2HE2 GLN 44 6.783 -3.533 -5.688
22 H ILE 45 H ILE 45 1.336 -2.926 0.680
23 HA ILE 45 HA ILE 45 2.368 -5.376 1.930
24 HB ILE 45 HB ILE 45 1.557 -2.717 3.018
25 1HG1 ILE 45 2HG1 ILE 45 3.566 -3.733 4.574
26 2HG1 ILE 45 3HG1 ILE 45 3.919 -4.490 3.034
27 1HG2 ILE 45 1HG2 ILE 45 1.455 -5.288 4.619
28 2HG2 ILE 45 2HG2 ILE 45 1.259 -3.635 5.250
29 3HG2 ILE 45 3HG2 ILE 45 0.051 -4.310 4.130
30 1HD1 ILE 45 1HD1 ILE 45 3.415 -1.984 2.134
31 2HD1 ILE 45 2HD1 ILE 45 3.960 -1.589 3.782
32 3HD1 ILE 45 3HD1 ILE 45 5.029 -2.495 2.685
33 H LYS 46 H LYS 46 -0.294 -3.850 0.371
34 HA LYS 46 HA LYS 46 -2.204 -5.613 1.702
35 1HB LYS 46 2HB LYS 46 -3.917 -4.232 0.760
36 2HB LYS 46 3HB LYS 46 -2.720 -3.188 1.503
37 1HG LYS 46 2HG LYS 46 -1.818 -2.510 -0.596
38 2HG LYS 46 3HG LYS 46 -2.505 -3.881 -1.444
39 1HD LYS 46 2HD LYS 46 -4.635 -2.341 -0.177
40 2HD LYS 46 3HD LYS 46 -3.637 -1.279 -1.153
41 1HE LYS 46 2HE LYS 46 -4.314 -2.239 -3.129
42 2HE LYS 46 3HE LYS 46 -4.266 -3.865 -2.476
43 1HZ LYS 46 1HZ LYS 46 -6.310 -2.860 -1.149
44 2HZ LYS 46 2HZ LYS 46 -6.444 -1.996 -2.528
45 3HZ LYS 46 3HZ LYS 46 -6.468 -3.628 -2.581
46 H ILE 47 H ILE 47 -0.064 -5.545 -0.935
47 HA ILE 47 HA ILE 47 -1.812 -7.285 -2.516
48 HB ILE 47 HB ILE 47 0.119 -6.900 -4.211
49 1HG1 ILE 47 2HG1 ILE 47 1.267 -4.766 -3.993
50 2HG1 ILE 47 3HG1 ILE 47 0.488 -4.458 -2.453
51 1HG2 ILE 47 1HG2 ILE 47 -2.264 -5.340 -3.514
52 2HG2 ILE 47 2HG2 ILE 47 -1.074 -4.441 -4.485
53 3HG2 ILE 47 3HG2 ILE 47 -1.725 -5.986 -5.082
54 1HD1 ILE 47 1HD1 ILE 47 1.793 -6.004 -1.311
55 2HD1 ILE 47 2HD1 ILE 47 1.992 -7.048 -2.739
56 3HD1 ILE 47 3HD1 ILE 47 2.937 -5.547 -2.596
57 H TRP 48 H TRP 48 0.763 -7.260 -0.236
58 HA TRP 48 HA TRP 48 1.922 -9.726 -1.237
59 1HB TRP 48 2HB TRP 48 2.921 -7.552 0.158
60 2HB TRP 48 3HB TRP 48 2.790 -8.793 1.389
61 HD1 TRP 48 HD1 TRP 48 5.138 -7.655 -1.225
62 HE1 TRP 48 HE1 TRP 48 7.064 -9.382 -1.743
63 HE3 TRP 48 HE3 TRP 48 2.974 -11.585 1.167
64 HZ2 TRP 48 HZ2 TRP 48 7.458 -12.136 -1.107
65 HZ3 TRP 48 HZ3 TRP 48 4.195 -13.758 1.172
66 HH2 TRP 48 HH2 TRP 48 6.363 -14.068 0.087
67 H PHE 49 H PHE 49 -0.168 -8.416 1.380
68 HA PHE 49 HA PHE 49 -0.277 -10.713 2.940
69 1HB PHE 49 2HB PHE 49 -2.121 -8.349 2.316
70 2HB PHE 49 3HB PHE 49 -2.635 -9.575 3.458
71 HD1 PHE 49 HD1 PHE 49 -2.751 -7.462 4.940
72 HD2 PHE 49 HD2 PHE 49 0.888 -9.146 3.547
73 HE1 PHE 49 HE1 PHE 49 -1.503 -6.280 6.770
74 HE2 PHE 49 HE2 PHE 49 2.136 -7.964 5.377
75 HZ PHE 49 HZ PHE 49 0.925 -6.545 6.966
76 H GLN 50 H GLN 50 -2.011 -9.764 -0.041
77 HA GLN 50 HA GLN 50 -3.966 -11.773 0.209
78 1HB GLN 50 2HB GLN 50 -4.581 -9.953 -1.162
79 2HB GLN 50 3HB GLN 50 -3.043 -9.928 -2.001
80 1HG GLN 50 2HG GLN 50 -4.505 -12.492 -2.307
81 2HG GLN 50 3HG GLN 50 -5.379 -11.115 -2.948
82 1HE2 GLN 50 1HE2 GLN 50 -2.834 -13.317 -3.378
83 2HE2 GLN 50 2HE2 GLN 50 -2.141 -12.680 -4.832
84 H ASN 51 H ASN 51 -0.689 -11.569 -1.172
85 HA ASN 51 HA ASN 51 -0.884 -13.864 -2.743
86 1HB ASN 51 2HB ASN 51 1.387 -12.239 -1.556
87 2HB ASN 51 3HB ASN 51 1.761 -13.782 -2.298
88 1HD2 ASN 51 1HD2 ASN 51 1.866 -13.968 -4.436
89 2HD2 ASN 51 2HD2 ASN 51 1.498 -12.726 -5.586
90 H ARG 52 H ARG 52 0.469 -13.176 0.566
91 HA ARG 52 HA ARG 52 1.149 -15.851 1.031
92 1HB ARG 52 2HB ARG 52 1.753 -15.115 3.244
93 2HB ARG 52 3HB ARG 52 2.103 -13.761 2.187
94 1HG ARG 52 2HG ARG 52 0.767 -12.474 3.491
95 2HG ARG 52 3HG ARG 52 -0.606 -13.397 2.916
96 1HD ARG 52 2HD ARG 52 -0.845 -13.805 5.188
97 2HD ARG 52 3HD ARG 52 0.217 -15.142 4.795
98 HE ARG 52 HE ARG 52 1.638 -12.665 5.486
99 1HH1 ARG 52 2HH2 ARG 52 0.227 -15.644 6.718
100 2HH1 ARG 52 1HH2 ARG 52 1.186 -15.652 8.160
101 1HH2 ARG 52 2HH1 ARG 52 2.904 -12.676 7.389
102 2HH2 ARG 52 1HH1 ARG 52 2.719 -13.953 8.544
103 H ARG 53 H ARG 53 -1.854 -14.321 0.798
104 HA ARG 53 HA ARG 53 -3.113 -15.632 2.975
105 1HB ARG 53 2HB ARG 53 -3.755 -13.533 1.133
106 2HB ARG 53 3HB ARG 53 -4.973 -14.770 0.896
107 1HG ARG 53 2HG ARG 53 -5.539 -14.764 3.284
108 2HG ARG 53 3HG ARG 53 -4.201 -13.690 3.645
109 1HD ARG 53 2HD ARG 53 -5.233 -11.842 2.473
110 2HD ARG 53 3HD ARG 53 -6.415 -12.886 1.710
111 HE ARG 53 HE ARG 53 -6.543 -12.981 4.631
112 1HH1 ARG 53 2HH2 ARG 53 -7.617 -11.237 1.770
113 2HH1 ARG 53 1HH2 ARG 53 -9.019 -10.576 2.544
114 1HH2 ARG 53 2HH1 ARG 53 -8.391 -12.110 5.652
115 2HH2 ARG 53 1HH1 ARG 53 -9.463 -11.075 4.766
116 H MET 54 H MET 54 -2.202 -16.416 -0.299
117 HA MET 54 HA MET 54 -4.001 -18.715 -0.207
118 1HB MET 54 2HB MET 54 -3.145 -16.835 -2.392
119 2HB MET 54 3HB MET 54 -3.230 -18.524 -2.854
120 1HG MET 54 2HG MET 54 -5.600 -18.471 -1.672
121 2HG MET 54 3HG MET 54 -5.462 -16.733 -1.845
122 1HE MET 54 1HE MET 54 -7.685 -18.898 -4.427
123 2HE MET 54 2HE MET 54 -6.350 -20.062 -4.248
124 3HE MET 54 3HE MET 54 -7.067 -19.302 -2.808
125 H LYS 55 H LYS 55 -1.326 -18.456 1.058
126 HA LYS 55 HA LYS 55 0.035 -20.532 -0.509
127 1HB LYS 55 2HB LYS 55 1.002 -17.991 -0.208
128 2HB LYS 55 3HB LYS 55 1.738 -18.792 1.167
129 1HG LYS 55 2HG LYS 55 1.990 -20.625 -0.998
130 2HG LYS 55 3HG LYS 55 2.377 -19.055 -1.673
131 1HD LYS 55 2HD LYS 55 3.595 -19.513 0.993
132 2HD LYS 55 3HD LYS 55 4.126 -20.665 -0.217
133 1HE LYS 55 2HE LYS 55 4.045 -17.832 -1.151
134 2HE LYS 55 3HE LYS 55 5.209 -18.148 0.120
135 1HZ LYS 55 1HZ LYS 55 5.191 -19.075 -2.586
136 2HZ LYS 55 2HZ LYS 55 6.452 -18.823 -1.579
137 3HZ LYS 55 3HZ LYS 55 5.605 -20.217 -1.495
138 H TRP 56 H TRP 56 -0.593 -19.036 2.715
139 HA TRP 56 HA TRP 56 0.616 -20.906 4.305
140 1HB TRP 56 2HB TRP 56 -1.403 -18.846 4.580
141 2HB TRP 56 3HB TRP 56 -1.762 -20.218 5.609
142 HD1 TRP 56 HD1 TRP 56 1.913 -19.261 4.954
143 HE1 TRP 56 HE1 TRP 56 3.083 -18.392 7.154
144 HE3 TRP 56 HE3 TRP 56 -2.316 -19.119 7.772
145 HZ2 TRP 56 HZ2 TRP 56 2.130 -17.757 9.768
146 HZ3 TRP 56 HZ3 TRP 56 -2.109 -18.363 10.139
147 HH2 TRP 56 HH2 TRP 56 0.016 -17.696 11.143
148 H LYS 57 H LYS 57 -2.730 -20.903 2.896
149 HA LYS 57 HA LYS 57 -3.071 -23.644 3.799
150 1HB LYS 57 2HB LYS 57 -4.873 -21.985 4.151
151 2HB LYS 57 3HB LYS 57 -5.001 -21.753 2.420
152 1HG LYS 57 2HG LYS 57 -6.381 -23.542 2.275
153 2HG LYS 57 3HG LYS 57 -5.104 -24.583 2.872
154 1HD LYS 57 2HD LYS 57 -5.786 -24.296 5.163
155 2HD LYS 57 3HD LYS 57 -6.796 -22.917 4.775
156 1HE LYS 57 2HE LYS 57 -8.565 -24.231 4.150
157 2HE LYS 57 3HE LYS 57 -7.548 -25.339 3.250
158 1HZ LYS 57 1HZ LYS 57 -7.340 -26.665 5.014
159 2HZ LYS 57 2HZ LYS 57 -7.227 -25.449 6.099
160 3HZ LYS 57 3HZ LYS 57 -8.692 -25.928 5.559
161 H LYS 58 H LYS 58 -3.240 -21.730 0.716
162 HA LYS 58 HA LYS 58 -3.219 -22.452 -1.401
163 1HB LYS 58 2HB LYS 58 -1.077 -22.909 -2.048
164 2HB LYS 58 3HB LYS 58 -0.776 -22.364 -0.411
165 1HG LYS 58 2HG LYS 58 -0.877 -24.784 0.355
166 2HG LYS 58 3HG LYS 58 -1.027 -25.269 -1.322
167 1HD LYS 58 2HD LYS 58 1.164 -24.366 -1.872
168 2HD LYS 58 3HD LYS 58 1.288 -23.554 -0.325
169 1HE LYS 58 2HE LYS 58 0.972 -26.044 0.632
170 2HE LYS 58 3HE LYS 58 1.569 -26.495 -0.953
171 1HZ LYS 58 1HZ LYS 58 2.987 -24.449 0.555
172 2HZ LYS 58 2HZ LYS 58 3.205 -26.019 0.949
173 3HZ LYS 58 3HZ LYS 58 3.564 -25.498 -0.557
Start of MODEL 3
1 H ARG 43 H ARG 43 -0.318 0.780 -0.189
2 HA ARG 43 HA ARG 43 -0.415 0.248 -2.636
3 1HB ARG 43 2HB ARG 43 1.857 1.241 -1.002
4 2HB ARG 43 3HB ARG 43 2.354 0.662 -2.580
5 1HG ARG 43 2HG ARG 43 0.430 2.097 -3.556
6 2HG ARG 43 3HG ARG 43 0.297 2.826 -1.968
7 1HD ARG 43 2HD ARG 43 1.816 4.309 -2.908
8 2HD ARG 43 3HD ARG 43 2.953 3.142 -2.266
9 HE ARG 43 HE ARG 43 2.391 2.130 -4.778
10 1HH1 ARG 43 2HH2 ARG 43 3.458 5.274 -3.611
11 2HH1 ARG 43 1HH2 ARG 43 4.325 5.659 -5.060
12 1HH2 ARG 43 2HH1 ARG 43 3.534 2.638 -6.689
13 2HH2 ARG 43 1HH1 ARG 43 4.369 4.149 -6.823
14 H GLN 44 H GLN 44 2.227 -1.364 -0.704
15 HA GLN 44 HA GLN 44 2.026 -3.572 -2.597
16 1HB GLN 44 2HB GLN 44 4.173 -1.904 -2.556
17 2HB GLN 44 3HB GLN 44 4.682 -3.035 -1.317
18 1HG GLN 44 2HG GLN 44 4.668 -4.885 -2.809
19 2HG GLN 44 3HG GLN 44 3.602 -4.087 -3.948
20 1HE2 GLN 44 1HE2 GLN 44 4.528 -3.484 -5.736
21 2HE2 GLN 44 2HE2 GLN 44 6.161 -2.950 -5.955
22 H ILE 45 H ILE 45 1.113 -2.733 0.334
23 HA ILE 45 HA ILE 45 2.206 -5.108 1.667
24 HB ILE 45 HB ILE 45 1.292 -2.433 2.627
25 1HG1 ILE 45 2HG1 ILE 45 3.372 -3.342 4.199
26 2HG1 ILE 45 3HG1 ILE 45 3.738 -4.061 2.644
27 1HG2 ILE 45 1HG2 ILE 45 -0.104 -3.611 4.033
28 2HG2 ILE 45 2HG2 ILE 45 0.965 -5.033 4.088
29 3HG2 ILE 45 3HG2 ILE 45 1.400 -3.557 4.983
30 1HD1 ILE 45 1HD1 ILE 45 3.598 -1.867 1.537
31 2HD1 ILE 45 2HD1 ILE 45 3.095 -1.106 3.065
32 3HD1 ILE 45 3HD1 ILE 45 4.735 -1.779 2.905
33 H LYS 46 H LYS 46 -0.550 -3.736 0.099
34 HA LYS 46 HA LYS 46 -2.381 -5.480 1.543
35 1HB LYS 46 2HB LYS 46 -3.027 -3.497 -0.650
36 2HB LYS 46 3HB LYS 46 -4.138 -4.250 0.476
37 1HG LYS 46 2HG LYS 46 -1.948 -2.889 1.889
38 2HG LYS 46 3HG LYS 46 -2.797 -1.788 0.822
39 1HD LYS 46 2HD LYS 46 -4.969 -2.940 1.894
40 2HD LYS 46 3HD LYS 46 -3.859 -3.332 3.192
41 1HE LYS 46 2HE LYS 46 -4.826 -1.216 3.788
42 2HE LYS 46 3HE LYS 46 -3.201 -0.851 3.247
43 1HZ LYS 46 1HZ LYS 46 -4.454 -0.645 0.973
44 2HZ LYS 46 2HZ LYS 46 -5.718 -0.295 1.945
45 3HZ LYS 46 3HZ LYS 46 -4.360 0.610 2.015
46 H ILE 47 H ILE 47 -0.348 -5.408 -1.250
47 HA ILE 47 HA ILE 47 -1.987 -7.428 -2.582
48 HB ILE 47 HB ILE 47 -0.182 -7.064 -4.386
49 1HG1 ILE 47 2HG1 ILE 47 0.948 -4.933 -4.377
50 2HG1 ILE 47 3HG1 ILE 47 0.192 -4.471 -2.866
51 1HG2 ILE 47 1HG2 ILE 47 -1.763 -5.897 -5.440
52 2HG2 ILE 47 2HG2 ILE 47 -2.684 -5.990 -3.919
53 3HG2 ILE 47 3HG2 ILE 47 -1.682 -4.560 -4.268
54 1HD1 ILE 47 1HD1 ILE 47 2.640 -5.458 -2.850
55 2HD1 ILE 47 2HD1 ILE 47 1.489 -5.962 -1.590
56 3HD1 ILE 47 3HD1 ILE 47 1.809 -7.027 -2.980
57 H TRP 48 H TRP 48 0.506 -7.123 -0.299
58 HA TRP 48 HA TRP 48 1.858 -9.553 -1.174
59 1HB TRP 48 2HB TRP 48 2.709 -7.210 0.085
60 2HB TRP 48 3HB TRP 48 2.741 -8.423 1.348
61 HD1 TRP 48 HD1 TRP 48 4.877 -7.144 -1.371
62 HE1 TRP 48 HE1 TRP 48 6.923 -8.711 -1.944
63 HE3 TRP 48 HE3 TRP 48 3.145 -11.206 1.150
64 HZ2 TRP 48 HZ2 TRP 48 7.571 -11.413 -1.292
65 HZ3 TRP 48 HZ3 TRP 48 4.547 -13.268 1.132
66 HH2 TRP 48 HH2 TRP 48 6.689 -13.413 -0.035
67 H PHE 49 H PHE 49 -0.326 -8.191 1.323
68 HA PHE 49 HA PHE 49 -0.245 -10.377 3.065
69 1HB PHE 49 2HB PHE 49 -2.253 -8.175 2.342
70 2HB PHE 49 3HB PHE 49 -2.616 -9.324 3.614
71 HD1 PHE 49 HD1 PHE 49 -2.803 -7.120 4.931
72 HD2 PHE 49 HD2 PHE 49 0.868 -8.636 3.436
73 HE1 PHE 49 HE1 PHE 49 -1.546 -5.697 6.574
74 HE2 PHE 49 HE2 PHE 49 2.125 -7.214 5.079
75 HZ PHE 49 HZ PHE 49 0.903 -5.761 6.628
76 H GLN 50 H GLN 50 -2.066 -9.719 0.064
77 HA GLN 50 HA GLN 50 -3.792 -11.953 0.533
78 1HB GLN 50 2HB GLN 50 -4.905 -11.294 -1.487
79 2HB GLN 50 3HB GLN 50 -4.487 -9.810 -0.654
80 1HG GLN 50 2HG GLN 50 -3.492 -9.152 -2.591
81 2HG GLN 50 3HG GLN 50 -2.213 -10.287 -2.205
82 1HE2 GLN 50 1HE2 GLN 50 -1.895 -12.028 -3.424
83 2HE2 GLN 50 2HE2 GLN 50 -2.879 -12.531 -4.758
84 H ASN 51 H ASN 51 -0.589 -11.638 -0.353
85 HA ASN 51 HA ASN 51 -0.682 -13.652 -2.409
86 1HB ASN 51 2HB ASN 51 1.367 -11.751 -1.301
87 2HB ASN 51 3HB ASN 51 1.994 -13.267 -1.916
88 1HD2 ASN 51 1HD2 ASN 51 2.715 -13.064 -3.883
89 2HD2 ASN 51 2HD2 ASN 51 2.000 -12.168 -5.183
90 H ARG 52 H ARG 52 0.534 -13.055 0.951
91 HA ARG 52 HA ARG 52 1.637 -15.638 1.180
92 1HB ARG 52 2HB ARG 52 1.891 -15.007 3.608
93 2HB ARG 52 3HB ARG 52 2.531 -13.789 2.523
94 1HG ARG 52 2HG ARG 52 0.598 -12.364 2.816
95 2HG ARG 52 3HG ARG 52 -0.318 -13.641 3.591
96 1HD ARG 52 2HD ARG 52 2.271 -12.988 4.926
97 2HD ARG 52 3HD ARG 52 1.092 -11.691 4.948
98 HE ARG 52 HE ARG 52 0.984 -14.051 6.546
99 1HH1 ARG 52 2HH2 ARG 52 -1.149 -12.069 4.568
100 2HH1 ARG 52 1HH2 ARG 52 -2.572 -12.477 5.468
101 1HH2 ARG 52 2HH1 ARG 52 -0.893 -14.590 7.732
102 2HH2 ARG 52 1HH1 ARG 52 -2.425 -13.921 7.280
103 H ARG 53 H ARG 53 -1.555 -14.319 1.364
104 HA ARG 53 HA ARG 53 -2.459 -16.353 3.185
105 1HB ARG 53 2HB ARG 53 -3.271 -13.785 2.872
106 2HB ARG 53 3HB ARG 53 -4.373 -14.529 1.730
107 1HG ARG 53 2HG ARG 53 -5.488 -15.763 3.382
108 2HG ARG 53 3HG ARG 53 -4.093 -15.819 4.441
109 1HD ARG 53 2HD ARG 53 -5.193 -14.182 5.614
110 2HD ARG 53 3HD ARG 53 -4.553 -13.106 4.388
111 HE ARG 53 HE ARG 53 -6.878 -14.024 3.219
112 1HH1 ARG 53 2HH2 ARG 53 -6.164 -12.581 6.349
113 2HH1 ARG 53 1HH2 ARG 53 -7.728 -11.855 6.514
114 1HH2 ARG 53 2HH1 ARG 53 -8.942 -13.067 3.438
115 2HH2 ARG 53 1HH1 ARG 53 -9.319 -12.135 4.848
116 H MET 54 H MET 54 -1.370 -16.839 0.338
117 HA MET 54 HA MET 54 -3.781 -18.081 -0.742
118 1HB MET 54 2HB MET 54 -2.025 -16.284 -1.956
119 2HB MET 54 3HB MET 54 -1.357 -17.818 -2.479
120 1HG MET 54 2HG MET 54 -4.076 -18.233 -2.882
121 2HG MET 54 3HG MET 54 -3.926 -16.524 -3.235
122 1HE MET 54 1HE MET 54 -4.255 -19.602 -4.583
123 2HE MET 54 2HE MET 54 -4.726 -18.392 -5.800
124 3HE MET 54 3HE MET 54 -3.460 -19.585 -6.176
125 H LYS 55 H LYS 55 -0.568 -18.557 0.561
126 HA LYS 55 HA LYS 55 0.100 -20.975 -0.641
127 1HB LYS 55 2HB LYS 55 1.549 -19.430 0.763
128 2HB LYS 55 3HB LYS 55 0.795 -20.128 2.182
129 1HG LYS 55 2HG LYS 55 2.461 -21.687 2.050
130 2HG LYS 55 3HG LYS 55 1.470 -22.414 0.801
131 1HD LYS 55 2HD LYS 55 2.877 -20.385 -0.558
132 2HD LYS 55 3HD LYS 55 4.060 -21.033 0.558
133 1HE LYS 55 2HE LYS 55 4.366 -22.778 -0.859
134 2HE LYS 55 3HE LYS 55 2.740 -23.315 -0.488
135 1HZ LYS 55 1HZ LYS 55 1.916 -21.968 -2.264
136 2HZ LYS 55 2HZ LYS 55 3.397 -21.353 -2.574
137 3HZ LYS 55 3HZ LYS 55 3.096 -22.935 -2.845
138 H TRP 56 H TRP 56 -1.640 -20.310 2.477
139 HA TRP 56 HA TRP 56 -2.517 -23.108 2.425
140 1HB TRP 56 2HB TRP 56 -2.401 -21.090 4.672
141 2HB TRP 56 3HB TRP 56 -3.120 -22.682 4.808
142 HD1 TRP 56 HD1 TRP 56 -0.010 -21.107 5.700
143 HE1 TRP 56 HE1 TRP 56 2.056 -22.735 5.904
144 HE3 TRP 56 HE3 TRP 56 -2.146 -24.977 3.188
145 HZ2 TRP 56 HZ2 TRP 56 2.554 -25.399 5.011
146 HZ3 TRP 56 HZ3 TRP 56 -0.802 -27.056 2.898
147 HH2 TRP 56 HH2 TRP 56 1.471 -27.303 3.761
148 H LYS 57 H LYS 57 -3.969 -22.352 0.566
149 HA LYS 57 HA LYS 57 -5.905 -20.426 0.840
150 1HB LYS 57 2HB LYS 57 -7.171 -21.883 -0.836
151 2HB LYS 57 3HB LYS 57 -5.574 -21.323 -1.294
152 1HG LYS 57 2HG LYS 57 -4.807 -23.450 -1.483
153 2HG LYS 57 3HG LYS 57 -5.325 -23.838 0.147
154 1HD LYS 57 2HD LYS 57 -7.201 -24.915 -0.582
155 2HD LYS 57 3HD LYS 57 -7.610 -23.631 -1.703
156 1HE LYS 57 2HE LYS 57 -5.557 -24.594 -3.106
157 2HE LYS 57 3HE LYS 57 -5.828 -26.039 -2.151
158 1HZ LYS 57 1HZ LYS 57 -7.369 -25.005 -4.275
159 2HZ LYS 57 2HZ LYS 57 -7.411 -26.491 -3.599
160 3HZ LYS 57 3HZ LYS 57 -8.302 -25.278 -2.963
161 H LYS 58 H LYS 58 -5.632 -23.607 2.349
162 HA LYS 58 HA LYS 58 -6.855 -24.632 3.872
163 1HB LYS 58 2HB LYS 58 -7.685 -21.785 4.271
164 2HB LYS 58 3HB LYS 58 -8.597 -23.034 5.095
165 1HG LYS 58 2HG LYS 58 -6.234 -23.967 5.804
166 2HG LYS 58 3HG LYS 58 -5.644 -22.379 5.356
167 1HD LYS 58 2HD LYS 58 -8.043 -22.617 7.193
168 2HD LYS 58 3HD LYS 58 -6.433 -22.846 7.844
169 1HE LYS 58 2HE LYS 58 -6.911 -20.425 6.108
170 2HE LYS 58 3HE LYS 58 -7.580 -20.411 7.728
171 1HZ LYS 58 1HZ LYS 58 -4.761 -20.945 7.085
172 2HZ LYS 58 2HZ LYS 58 -5.346 -19.529 7.653
173 3HZ LYS 58 3HZ LYS 58 -5.397 -20.867 8.587
Start of MODEL 4
1 H ARG 43 H ARG 43 1.743 -0.556 -0.141
2 HA ARG 43 HA ARG 43 0.049 -0.510 -1.930
3 1HB ARG 43 2HB ARG 43 2.111 0.962 -3.196
4 2HB ARG 43 3HB ARG 43 2.099 -0.570 -4.045
5 1HG ARG 43 2HG ARG 43 -0.201 -0.335 -4.684
6 2HG ARG 43 3HG ARG 43 -0.492 0.925 -3.501
7 1HD ARG 43 2HD ARG 43 1.642 1.880 -5.144
8 2HD ARG 43 3HD ARG 43 0.470 1.181 -6.243
9 HE ARG 43 HE ARG 43 -1.079 2.856 -5.656
10 1HH1 ARG 43 2HH2 ARG 43 1.640 2.902 -3.422
11 2HH1 ARG 43 1HH2 ARG 43 1.175 4.399 -2.686
12 1HH2 ARG 43 2HH1 ARG 43 -1.692 4.832 -4.686
13 2HH2 ARG 43 1HH1 ARG 43 -0.733 5.505 -3.411
14 H GLN 44 H GLN 44 3.253 -1.766 -1.208
15 HA GLN 44 HA GLN 44 2.630 -4.267 -2.529
16 1HB GLN 44 2HB GLN 44 5.114 -2.901 -1.602
17 2HB GLN 44 3HB GLN 44 5.108 -4.643 -1.403
18 1HG GLN 44 2HG GLN 44 4.496 -4.919 -3.813
19 2HG GLN 44 3HG GLN 44 4.489 -3.177 -4.014
20 1HE2 GLN 44 1HE2 GLN 44 6.060 -4.487 -5.648
21 2HE2 GLN 44 2HE2 GLN 44 7.739 -4.348 -5.248
22 H ILE 45 H ILE 45 1.300 -3.152 0.002
23 HA ILE 45 HA ILE 45 2.060 -5.343 1.805
24 HB ILE 45 HB ILE 45 2.500 -3.474 3.033
25 1HG1 ILE 45 2HG1 ILE 45 0.594 -4.976 3.983
26 2HG1 ILE 45 3HG1 ILE 45 1.009 -3.476 4.786
27 1HG2 ILE 45 1HG2 ILE 45 0.805 -1.473 2.990
28 2HG2 ILE 45 2HG2 ILE 45 2.025 -1.657 1.707
29 3HG2 ILE 45 3HG2 ILE 45 0.343 -2.164 1.416
30 1HD1 ILE 45 1HD1 ILE 45 -0.970 -2.448 4.209
31 2HD1 ILE 45 2HD1 ILE 45 -1.040 -3.248 2.620
32 3HD1 ILE 45 3HD1 ILE 45 -1.538 -4.130 4.084
33 H LYS 46 H LYS 46 -0.293 -4.113 -0.384
34 HA LYS 46 HA LYS 46 -2.432 -5.600 0.937
35 1HB LYS 46 2HB LYS 46 -3.303 -3.542 0.402
36 2HB LYS 46 3HB LYS 46 -2.313 -3.356 -1.032
37 1HG LYS 46 2HG LYS 46 -3.662 -5.186 -2.149
38 2HG LYS 46 3HG LYS 46 -4.694 -5.248 -0.733
39 1HD LYS 46 2HD LYS 46 -5.861 -3.409 -1.386
40 2HD LYS 46 3HD LYS 46 -4.396 -2.487 -1.659
41 1HE LYS 46 2HE LYS 46 -4.915 -2.611 -3.877
42 2HE LYS 46 3HE LYS 46 -4.348 -4.268 -3.796
43 1HZ LYS 46 1HZ LYS 46 -6.443 -4.548 -4.566
44 2HZ LYS 46 2HZ LYS 46 -6.758 -4.667 -2.968
45 3HZ LYS 46 3HZ LYS 46 -7.072 -3.274 -3.761
46 H ILE 47 H ILE 47 0.053 -5.966 -1.375
47 HA ILE 47 HA ILE 47 -1.492 -7.992 -2.823
48 HB ILE 47 HB ILE 47 0.619 -7.870 -4.323
49 1HG1 ILE 47 2HG1 ILE 47 1.749 -5.714 -4.347
50 2HG1 ILE 47 3HG1 ILE 47 0.805 -5.159 -2.979
51 1HG2 ILE 47 1HG2 ILE 47 -1.276 -7.214 -5.404
52 2HG2 ILE 47 2HG2 ILE 47 -1.721 -6.029 -4.152
53 3HG2 ILE 47 3HG2 ILE 47 -0.438 -5.646 -5.324
54 1HD1 ILE 47 1HD1 ILE 47 1.960 -6.478 -1.452
55 2HD1 ILE 47 2HD1 ILE 47 2.317 -7.741 -2.655
56 3HD1 ILE 47 3HD1 ILE 47 3.246 -6.222 -2.656
57 H TRP 48 H TRP 48 0.784 -7.510 -0.291
58 HA TRP 48 HA TRP 48 2.022 -10.114 -0.691
59 1HB TRP 48 2HB TRP 48 2.778 -7.645 0.546
60 2HB TRP 48 3HB TRP 48 2.808 -8.911 1.758
61 HD1 TRP 48 HD1 TRP 48 5.284 -7.383 -0.171
62 HE1 TRP 48 HE1 TRP 48 7.263 -8.912 -1.011
63 HE3 TRP 48 HE3 TRP 48 2.856 -11.798 0.511
64 HZ2 TRP 48 HZ2 TRP 48 7.584 -11.735 -1.288
65 HZ3 TRP 48 HZ3 TRP 48 4.074 -13.895 -0.068
66 HH2 TRP 48 HH2 TRP 48 6.357 -13.910 -0.940
67 H PHE 49 H PHE 49 -0.411 -8.362 1.240
68 HA PHE 49 HA PHE 49 -0.653 -10.261 3.289
69 1HB PHE 49 2HB PHE 49 -2.345 -8.068 2.002
70 2HB PHE 49 3HB PHE 49 -3.071 -9.073 3.240
71 HD1 PHE 49 HD1 PHE 49 0.439 -8.575 3.716
72 HD2 PHE 49 HD2 PHE 49 -3.367 -6.827 4.399
73 HE1 PHE 49 HE1 PHE 49 1.433 -7.105 5.491
74 HE2 PHE 49 HE2 PHE 49 -2.373 -5.357 6.174
75 HZ PHE 49 HZ PHE 49 0.014 -5.514 6.700
76 H GLN 50 H GLN 50 -2.039 -9.990 0.007
77 HA GLN 50 HA GLN 50 -3.934 -12.057 0.528
78 1HB GLN 50 2HB GLN 50 -4.506 -10.272 -1.043
79 2HB GLN 50 3HB GLN 50 -3.099 -10.621 -2.028
80 1HG GLN 50 2HG GLN 50 -4.178 -13.075 -2.120
81 2HG GLN 50 3HG GLN 50 -5.653 -12.208 -1.736
82 1HE2 GLN 50 1HE2 GLN 50 -2.882 -12.272 -3.939
83 2HE2 GLN 50 2HE2 GLN 50 -3.684 -11.632 -5.334
84 H ASN 51 H ASN 51 -0.656 -11.722 -0.803
85 HA ASN 51 HA ASN 51 -0.642 -14.219 -2.085
86 1HB ASN 51 2HB ASN 51 1.422 -12.170 -1.256
87 2HB ASN 51 3HB ASN 51 1.998 -13.770 -1.678
88 1HD2 ASN 51 1HD2 ASN 51 2.162 -11.058 -2.962
89 2HD2 ASN 51 2HD2 ASN 51 1.654 -11.280 -4.603
90 H ARG 52 H ARG 52 0.083 -12.963 1.186
91 HA ARG 52 HA ARG 52 1.404 -15.314 2.023
92 1HB ARG 52 2HB ARG 52 0.939 -12.670 3.042
93 2HB ARG 52 3HB ARG 52 0.308 -13.780 4.242
94 1HG ARG 52 2HG ARG 52 2.466 -13.954 4.963
95 2HG ARG 52 3HG ARG 52 2.700 -15.009 3.583
96 1HD ARG 52 2HD ARG 52 4.321 -13.517 2.959
97 2HD ARG 52 3HD ARG 52 2.989 -12.527 2.395
98 HE ARG 52 HE ARG 52 3.179 -11.888 5.094
99 1HH1 ARG 52 2HH2 ARG 52 5.431 -11.869 2.390
100 2HH1 ARG 52 1HH2 ARG 52 6.382 -10.568 3.026
101 1HH2 ARG 52 2HH1 ARG 52 4.433 -10.173 5.934
102 2HH2 ARG 52 1HH1 ARG 52 5.810 -9.597 5.055
103 H ARG 53 H ARG 53 -1.911 -14.267 1.673
104 HA ARG 53 HA ARG 53 -2.745 -16.476 3.376
105 1HB ARG 53 2HB ARG 53 -3.842 -13.735 2.905
106 2HB ARG 53 3HB ARG 53 -5.049 -15.004 2.964
107 1HG ARG 53 2HG ARG 53 -4.407 -15.670 5.185
108 2HG ARG 53 3HG ARG 53 -2.895 -14.789 5.101
109 1HD ARG 53 2HD ARG 53 -4.071 -13.199 6.285
110 2HD ARG 53 3HD ARG 53 -4.616 -12.712 4.692
111 HE ARG 53 HE ARG 53 -6.386 -14.746 5.489
112 1HH1 ARG 53 2HH2 ARG 53 -5.430 -11.578 6.687
113 2HH1 ARG 53 1HH2 ARG 53 -6.959 -11.259 7.436
114 1HH2 ARG 53 2HH1 ARG 53 -8.403 -14.325 6.477
115 2HH2 ARG 53 1HH1 ARG 53 -8.661 -12.831 7.315
116 H MET 54 H MET 54 -2.143 -17.738 1.289
117 HA MET 54 HA MET 54 -4.257 -18.777 0.103
118 1HB MET 54 2HB MET 54 -3.733 -16.088 -1.001
119 2HB MET 54 3HB MET 54 -3.657 -17.305 -2.260
120 1HG MET 54 2HG MET 54 -5.931 -18.027 -0.740
121 2HG MET 54 3HG MET 54 -6.001 -16.278 -0.814
122 1HE MET 54 1HE MET 54 -5.168 -19.410 -2.776
123 2HE MET 54 2HE MET 54 -6.946 -19.491 -2.806
124 3HE MET 54 3HE MET 54 -6.043 -19.227 -4.316
125 H LYS 55 H LYS 55 -0.942 -17.612 -0.171
126 HA LYS 55 HA LYS 55 -0.200 -19.308 -2.324
127 1HB LYS 55 2HB LYS 55 0.993 -17.233 -1.803
128 2HB LYS 55 3HB LYS 55 1.462 -17.863 -0.238
129 1HG LYS 55 2HG LYS 55 3.006 -19.371 -1.140
130 2HG LYS 55 3HG LYS 55 2.129 -19.539 -2.649
131 1HD LYS 55 2HD LYS 55 3.650 -18.107 -3.548
132 2HD LYS 55 3HD LYS 55 2.835 -16.834 -2.661
133 1HE LYS 55 2HE LYS 55 4.708 -18.334 -0.948
134 2HE LYS 55 3HE LYS 55 5.515 -17.639 -2.339
135 1HZ LYS 55 1HZ LYS 55 5.519 -15.970 -0.777
136 2HZ LYS 55 2HZ LYS 55 4.247 -15.549 -1.711
137 3HZ LYS 55 3HZ LYS 55 3.997 -16.259 -0.261
138 H TRP 56 H TRP 56 -0.381 -19.592 1.230
139 HA TRP 56 HA TRP 56 0.602 -22.350 0.946
140 1HB TRP 56 2HB TRP 56 0.597 -20.749 3.497
141 2HB TRP 56 3HB TRP 56 1.422 -22.257 3.157
142 HD1 TRP 56 HD1 TRP 56 2.101 -18.621 3.263
143 HE1 TRP 56 HE1 TRP 56 4.414 -17.949 2.184
144 HE3 TRP 56 HE3 TRP 56 2.903 -23.068 0.933
145 HZ2 TRP 56 HZ2 TRP 56 6.277 -19.322 0.514
146 HZ3 TRP 56 HZ3 TRP 56 4.993 -23.320 -0.402
147 HH2 TRP 56 HH2 TRP 56 6.649 -21.538 -0.631
148 H LYS 57 H LYS 57 -1.790 -22.509 0.121
149 HA LYS 57 HA LYS 57 -3.322 -23.523 2.311
150 1HB LYS 57 2HB LYS 57 -3.981 -21.239 2.587
151 2HB LYS 57 3HB LYS 57 -4.239 -21.028 0.866
152 1HG LYS 57 2HG LYS 57 -6.276 -22.130 0.887
153 2HG LYS 57 3HG LYS 57 -5.777 -23.264 2.126
154 1HD LYS 57 2HD LYS 57 -6.090 -21.613 3.887
155 2HD LYS 57 3HD LYS 57 -6.294 -20.319 2.724
156 1HE LYS 57 2HE LYS 57 -8.301 -21.888 1.850
157 2HE LYS 57 3HE LYS 57 -8.224 -22.509 3.487
158 1HZ LYS 57 1HZ LYS 57 -9.683 -20.512 3.032
159 2HZ LYS 57 2HZ LYS 57 -8.721 -20.443 4.349
160 3HZ LYS 57 3HZ LYS 57 -8.309 -19.630 2.995
161 H LYS 58 H LYS 58 -3.264 -25.521 1.289
162 HA LYS 58 HA LYS 58 -3.621 -25.860 -1.460
163 1HB LYS 58 2HB LYS 58 -3.610 -27.607 0.958
164 2HB LYS 58 3HB LYS 58 -4.326 -28.263 -0.500
165 1HG LYS 58 2HG LYS 58 -1.800 -26.867 -1.074
166 2HG LYS 58 3HG LYS 58 -1.576 -28.139 0.110
167 1HD LYS 58 2HD LYS 58 -3.069 -29.564 -1.587
168 2HD LYS 58 3HD LYS 58 -2.547 -28.357 -2.747
169 1HE LYS 58 2HE LYS 58 -0.243 -28.928 -2.498
170 2HE LYS 58 3HE LYS 58 -0.508 -29.728 -0.962
171 1HZ LYS 58 1HZ LYS 58 -1.316 -31.566 -1.983
172 2HZ LYS 58 2HZ LYS 58 -1.877 -30.775 -3.296
173 3HZ LYS 58 3HZ LYS 58 -0.279 -31.074 -3.144
Start of MODEL 5
1 H ARG 43 H ARG 43 -1.411 0.578 1.773
2 HA ARG 43 HA ARG 43 0.715 1.769 0.293
3 1HB ARG 43 2HB ARG 43 0.051 1.688 2.977
4 2HB ARG 43 3HB ARG 43 1.311 0.471 2.919
5 1HG ARG 43 2HG ARG 43 2.971 2.001 2.351
6 2HG ARG 43 3HG ARG 43 1.870 3.037 1.463
7 1HD ARG 43 2HD ARG 43 0.812 3.650 3.743
8 2HD ARG 43 3HD ARG 43 2.169 2.832 4.493
9 HE ARG 43 HE ARG 43 2.957 4.817 2.475
10 1HH1 ARG 43 2HH2 ARG 43 2.204 4.271 5.869
11 2HH1 ARG 43 1HH2 ARG 43 3.076 5.664 6.418
12 1HH2 ARG 43 2HH1 ARG 43 4.108 6.653 3.199
13 2HH2 ARG 43 1HH1 ARG 43 4.166 7.028 4.890
14 H GLN 44 H GLN 44 0.065 -0.444 -1.144
15 HA GLN 44 HA GLN 44 0.602 -2.489 -1.764
16 1HB GLN 44 2HB GLN 44 3.296 -2.682 -1.774
17 2HB GLN 44 3HB GLN 44 2.419 -1.660 -2.896
18 1HG GLN 44 2HG GLN 44 2.679 0.268 -1.275
19 2HG GLN 44 3HG GLN 44 3.649 -0.766 -0.245
20 1HE2 GLN 44 1HE2 GLN 44 5.487 -1.908 -1.370
21 2HE2 GLN 44 2HE2 GLN 44 6.448 -0.986 -2.477
22 H ILE 45 H ILE 45 -0.155 -2.479 1.003
23 HA ILE 45 HA ILE 45 1.669 -4.528 2.057
24 HB ILE 45 HB ILE 45 1.878 -2.796 3.552
25 1HG1 ILE 45 2HG1 ILE 45 0.914 -5.042 4.490
26 2HG1 ILE 45 3HG1 ILE 45 1.109 -3.650 5.537
27 1HG2 ILE 45 1HG2 ILE 45 -0.029 -1.413 4.374
28 2HG2 ILE 45 2HG2 ILE 45 0.306 -1.235 2.635
29 3HG2 ILE 45 3HG2 ILE 45 -1.072 -2.221 3.179
30 1HD1 ILE 45 1HD1 ILE 45 -1.189 -4.990 5.481
31 2HD1 ILE 45 2HD1 ILE 45 -1.186 -3.217 5.641
32 3HD1 ILE 45 3HD1 ILE 45 -1.502 -3.968 4.058
33 H LYS 46 H LYS 46 -1.307 -3.923 0.577
34 HA LYS 46 HA LYS 46 -2.499 -6.259 1.902
35 1HB LYS 46 2HB LYS 46 -4.671 -5.369 1.247
36 2HB LYS 46 3HB LYS 46 -3.795 -4.215 2.232
37 1HG LYS 46 2HG LYS 46 -3.100 -3.758 -0.543
38 2HG LYS 46 3HG LYS 46 -4.846 -3.844 -0.419
39 1HD LYS 46 2HD LYS 46 -4.573 -2.235 1.637
40 2HD LYS 46 3HD LYS 46 -2.956 -1.950 1.024
41 1HE LYS 46 2HE LYS 46 -4.415 -0.235 0.100
42 2HE LYS 46 3HE LYS 46 -3.953 -1.305 -1.208
43 1HZ LYS 46 1HZ LYS 46 -6.382 -1.896 0.273
44 2HZ LYS 46 2HZ LYS 46 -6.412 -0.689 -0.827
45 3HZ LYS 46 3HZ LYS 46 -6.022 -2.206 -1.290
46 H ILE 47 H ILE 47 -0.513 -5.677 -0.537
47 HA ILE 47 HA ILE 47 -2.047 -7.278 -2.463
48 HB ILE 47 HB ILE 47 -0.033 -6.374 -3.945
49 1HG1 ILE 47 2HG1 ILE 47 0.416 -3.993 -3.374
50 2HG1 ILE 47 3HG1 ILE 47 -0.385 -4.226 -1.833
51 1HG2 ILE 47 1HG2 ILE 47 -2.669 -6.056 -3.970
52 2HG2 ILE 47 2HG2 ILE 47 -2.225 -4.400 -3.493
53 3HG2 ILE 47 3HG2 ILE 47 -1.591 -5.091 -5.005
54 1HD1 ILE 47 1HD1 ILE 47 2.310 -4.624 -2.271
55 2HD1 ILE 47 2HD1 ILE 47 1.390 -5.354 -0.934
56 3HD1 ILE 47 3HD1 ILE 47 1.675 -6.280 -2.427
57 H TRP 48 H TRP 48 0.738 -7.087 -0.326
58 HA TRP 48 HA TRP 48 2.042 -9.339 -1.584
59 1HB TRP 48 2HB TRP 48 2.889 -7.187 -0.049
60 2HB TRP 48 3HB TRP 48 3.004 -8.547 1.051
61 HD1 TRP 48 HD1 TRP 48 4.931 -6.906 -1.669
62 HE1 TRP 48 HE1 TRP 48 7.016 -8.312 -2.468
63 HE3 TRP 48 HE3 TRP 48 3.563 -11.225 0.639
64 HZ2 TRP 48 HZ2 TRP 48 7.841 -11.013 -2.056
65 HZ3 TRP 48 HZ3 TRP 48 5.064 -13.200 0.391
66 HH2 TRP 48 HH2 TRP 48 7.139 -13.142 -0.901
67 H PHE 49 H PHE 49 -0.148 -8.535 1.111
68 HA PHE 49 HA PHE 49 0.165 -10.913 2.551
69 1HB PHE 49 2HB PHE 49 -1.980 -8.770 2.156
70 2HB PHE 49 3HB PHE 49 -2.328 -10.146 3.184
71 HD1 PHE 49 HD1 PHE 49 -2.638 -8.614 5.080
72 HD2 PHE 49 HD2 PHE 49 1.088 -8.900 3.070
73 HE1 PHE 49 HE1 PHE 49 -1.512 -7.461 7.004
74 HE2 PHE 49 HE2 PHE 49 2.215 -7.747 4.995
75 HZ PHE 49 HZ PHE 49 0.901 -7.042 6.938
76 H GLN 50 H GLN 50 -1.692 -10.065 -0.363
77 HA GLN 50 HA GLN 50 -3.453 -12.235 -0.204
78 1HB GLN 50 2HB GLN 50 -3.969 -10.276 -1.571
79 2HB GLN 50 3HB GLN 50 -2.537 -10.522 -2.552
80 1HG GLN 50 2HG GLN 50 -3.757 -12.983 -2.810
81 2HG GLN 50 3HG GLN 50 -5.158 -11.946 -2.632
82 1HE2 GLN 50 1HE2 GLN 50 -2.065 -12.213 -4.353
83 2HE2 GLN 50 2HE2 GLN 50 -2.580 -11.515 -5.852
84 H ASN 51 H ASN 51 -0.173 -11.759 -1.540
85 HA ASN 51 HA ASN 51 -0.197 -14.191 -2.971
86 1HB ASN 51 2HB ASN 51 1.813 -12.067 -2.258
87 2HB ASN 51 3HB ASN 51 2.470 -13.644 -2.650
88 1HD2 ASN 51 1HD2 ASN 51 2.053 -10.814 -3.944
89 2HD2 ASN 51 2HD2 ASN 51 1.638 -11.174 -5.586
90 H ARG 52 H ARG 52 0.753 -13.033 0.284
91 HA ARG 52 HA ARG 52 1.909 -15.607 0.882
92 1HB ARG 52 2HB ARG 52 2.262 -12.882 1.846
93 2HB ARG 52 3HB ARG 52 1.865 -13.916 3.204
94 1HG ARG 52 2HG ARG 52 3.879 -15.005 1.267
95 2HG ARG 52 3HG ARG 52 4.398 -13.633 2.225
96 1HD ARG 52 2HD ARG 52 3.658 -14.870 4.313
97 2HD ARG 52 3HD ARG 52 3.275 -16.259 3.315
98 HE ARG 52 HE ARG 52 5.958 -15.313 4.045
99 1HH1 ARG 52 2HH2 ARG 52 4.086 -17.274 1.801
100 2HH1 ARG 52 1HH2 ARG 52 5.434 -18.259 1.339
101 1HH2 ARG 52 2HH1 ARG 52 7.735 -16.612 3.436
102 2HH2 ARG 52 1HH1 ARG 52 7.523 -17.881 2.275
103 H ARG 53 H ARG 53 -1.124 -14.726 0.535
104 HA ARG 53 HA ARG 53 -2.158 -15.184 3.136
105 1HB ARG 53 2HB ARG 53 -3.125 -13.943 0.872
106 2HB ARG 53 3HB ARG 53 -3.960 -15.481 0.763
107 1HG ARG 53 2HG ARG 53 -4.256 -14.839 3.463
108 2HG ARG 53 3HG ARG 53 -4.338 -13.265 2.696
109 1HD ARG 53 2HD ARG 53 -5.909 -15.048 1.082
110 2HD ARG 53 3HD ARG 53 -6.351 -15.357 2.749
111 HE ARG 53 HE ARG 53 -6.837 -12.890 1.241
112 1HH1 ARG 53 2HH2 ARG 53 -6.546 -14.302 4.451
113 2HH1 ARG 53 1HH2 ARG 53 -7.474 -13.059 5.222
114 1HH2 ARG 53 2HH1 ARG 53 -8.064 -11.251 2.258
115 2HH2 ARG 53 1HH1 ARG 53 -8.344 -11.313 3.965
116 H MET 54 H MET 54 -0.585 -17.339 2.803
117 HA MET 54 HA MET 54 -0.420 -19.503 2.410
118 1HB MET 54 2HB MET 54 -2.074 -19.034 4.456
119 2HB MET 54 3HB MET 54 -3.294 -19.717 3.399
120 1HG MET 54 2HG MET 54 -1.691 -21.734 3.090
121 2HG MET 54 3HG MET 54 -0.763 -21.075 4.423
122 1HE MET 54 1HE MET 54 -1.140 -23.435 4.941
123 2HE MET 54 2HE MET 54 -1.586 -23.151 6.640
124 3HE MET 54 3HE MET 54 -2.619 -24.168 5.606
125 H LYS 55 H LYS 55 -0.764 -18.690 -0.053
126 HA LYS 55 HA LYS 55 -1.657 -19.027 -2.058
127 1HB LYS 55 2HB LYS 55 -0.807 -21.379 -1.068
128 2HB LYS 55 3HB LYS 55 -2.488 -21.797 -1.332
129 1HG LYS 55 2HG LYS 55 -1.800 -22.234 -3.474
130 2HG LYS 55 3HG LYS 55 -1.961 -20.502 -3.689
131 1HD LYS 55 2HD LYS 55 0.572 -20.630 -2.622
132 2HD LYS 55 3HD LYS 55 0.511 -22.165 -3.466
133 1HE LYS 55 2HE LYS 55 -0.591 -19.948 -5.082
134 2HE LYS 55 3HE LYS 55 1.077 -19.673 -4.621
135 1HZ LYS 55 1HZ LYS 55 1.681 -21.744 -5.561
136 2HZ LYS 55 2HZ LYS 55 0.128 -22.174 -5.832
137 3HZ LYS 55 3HZ LYS 55 0.797 -20.949 -6.679
138 H TRP 56 H TRP 56 -3.401 -17.623 -0.389
139 HA TRP 56 HA TRP 56 -5.509 -16.952 -0.306
140 1HB TRP 56 2HB TRP 56 -5.678 -18.765 -2.693
141 2HB TRP 56 3HB TRP 56 -7.124 -18.021 -2.039
142 HD1 TRP 56 HD1 TRP 56 -3.582 -16.578 -2.926
143 HE1 TRP 56 HE1 TRP 56 -3.826 -14.327 -4.280
144 HE3 TRP 56 HE3 TRP 56 -8.667 -16.530 -2.947
145 HZ2 TRP 56 HZ2 TRP 56 -6.068 -12.812 -5.187
146 HZ3 TRP 56 HZ3 TRP 56 -9.805 -14.629 -4.088
147 HH2 TRP 56 HH2 TRP 56 -8.590 -12.812 -5.183
148 H LYS 57 H LYS 57 -4.472 -19.050 1.426
149 HA LYS 57 HA LYS 57 -5.093 -20.750 2.730
150 1HB LYS 57 2HB LYS 57 -6.852 -18.533 3.006
151 2HB LYS 57 3HB LYS 57 -7.821 -19.980 3.196
152 1HG LYS 57 2HG LYS 57 -7.056 -19.851 5.366
153 2HG LYS 57 3HG LYS 57 -5.696 -20.734 4.701
154 1HD LYS 57 2HD LYS 57 -4.345 -19.035 5.354
155 2HD LYS 57 3HD LYS 57 -5.112 -18.017 4.153
156 1HE LYS 57 2HE LYS 57 -6.952 -17.553 5.904
157 2HE LYS 57 3HE LYS 57 -5.917 -18.343 7.077
158 1HZ LYS 57 1HZ LYS 57 -4.780 -16.240 5.425
159 2HZ LYS 57 2HZ LYS 57 -5.750 -15.815 6.669
160 3HZ LYS 57 3HZ LYS 57 -4.395 -16.681 6.950
161 H LYS 58 H LYS 58 -4.900 -22.144 0.687
162 HA LYS 58 HA LYS 58 -7.139 -23.875 0.644
163 1HB LYS 58 2HB LYS 58 -7.076 -21.753 -1.341
164 2HB LYS 58 3HB LYS 58 -6.985 -23.326 -2.106
165 1HG LYS 58 2HG LYS 58 -9.096 -23.961 -1.395
166 2HG LYS 58 3HG LYS 58 -8.967 -23.095 0.124
167 1HD LYS 58 2HD LYS 58 -9.329 -20.936 -1.033
168 2HD LYS 58 3HD LYS 58 -9.345 -21.741 -2.589
169 1HE LYS 58 2HE LYS 58 -11.653 -21.420 -2.001
170 2HE LYS 58 3HE LYS 58 -11.334 -23.125 -1.747
171 1HZ LYS 58 1HZ LYS 58 -11.754 -22.888 0.391
172 2HZ LYS 58 2HZ LYS 58 -10.745 -21.615 0.563
173 3HZ LYS 58 3HZ LYS 58 -12.291 -21.375 0.092
Start of MODEL 6
1 H ARG 43 H ARG 43 2.881 0.611 0.041
2 HA ARG 43 HA ARG 43 0.572 0.516 -1.596
3 1HB ARG 43 2HB ARG 43 3.520 0.916 -1.969
4 2HB ARG 43 3HB ARG 43 2.672 0.259 -3.355
5 1HG ARG 43 2HG ARG 43 1.382 2.595 -1.971
6 2HG ARG 43 3HG ARG 43 2.852 2.928 -2.865
7 1HD ARG 43 2HD ARG 43 1.702 2.868 -4.820
8 2HD ARG 43 3HD ARG 43 1.224 1.212 -4.511
9 HE ARG 43 HE ARG 43 -0.478 2.728 -2.898
10 1HH1 ARG 43 2HH2 ARG 43 0.270 2.620 -6.335
11 2HH1 ARG 43 1HH2 ARG 43 -1.302 3.157 -6.824
12 1HH2 ARG 43 2HH1 ARG 43 -2.553 3.435 -3.543
13 2HH2 ARG 43 1HH1 ARG 43 -2.919 3.623 -5.225
14 H GLN 44 H GLN 44 3.559 -1.545 -1.242
15 HA GLN 44 HA GLN 44 2.080 -3.686 -2.531
16 1HB GLN 44 2HB GLN 44 4.925 -2.880 -2.401
17 2HB GLN 44 3HB GLN 44 4.685 -4.601 -2.178
18 1HG GLN 44 2HG GLN 44 3.072 -4.377 -4.274
19 2HG GLN 44 3HG GLN 44 3.939 -2.882 -4.560
20 1HE2 GLN 44 1HE2 GLN 44 6.238 -2.935 -4.795
21 2HE2 GLN 44 2HE2 GLN 44 7.040 -4.338 -5.421
22 H ILE 45 H ILE 45 1.411 -2.909 0.184
23 HA ILE 45 HA ILE 45 2.492 -5.197 1.674
24 HB ILE 45 HB ILE 45 1.618 -2.454 2.499
25 1HG1 ILE 45 2HG1 ILE 45 3.922 -3.859 3.729
26 2HG1 ILE 45 3HG1 ILE 45 4.075 -3.503 2.020
27 1HG2 ILE 45 1HG2 ILE 45 1.829 -4.825 4.372
28 2HG2 ILE 45 2HG2 ILE 45 1.512 -3.133 4.819
29 3HG2 ILE 45 3HG2 ILE 45 0.313 -4.042 3.867
30 1HD1 ILE 45 1HD1 ILE 45 3.418 -1.105 2.515
31 2HD1 ILE 45 2HD1 ILE 45 3.465 -1.510 4.247
32 3HD1 ILE 45 3HD1 ILE 45 4.950 -1.607 3.269
33 H LYS 46 H LYS 46 -0.311 -3.680 0.223
34 HA LYS 46 HA LYS 46 -2.130 -5.358 1.742
35 1HB LYS 46 2HB LYS 46 -3.877 -4.077 0.760
36 2HB LYS 46 3HB LYS 46 -2.629 -2.952 1.256
37 1HG LYS 46 2HG LYS 46 -1.759 -3.398 -1.269
38 2HG LYS 46 3HG LYS 46 -3.452 -3.777 -1.520
39 1HD LYS 46 2HD LYS 46 -4.001 -1.534 -0.374
40 2HD LYS 46 3HD LYS 46 -2.290 -1.164 -0.459
41 1HE LYS 46 2HE LYS 46 -2.372 -1.511 -2.961
42 2HE LYS 46 3HE LYS 46 -4.099 -1.790 -2.843
43 1HZ LYS 46 1HZ LYS 46 -4.390 0.376 -2.849
44 2HZ LYS 46 2HZ LYS 46 -3.490 0.565 -1.500
45 3HZ LYS 46 3HZ LYS 46 -2.783 0.634 -2.970
46 H ILE 47 H ILE 47 -0.269 -5.365 -1.198
47 HA ILE 47 HA ILE 47 -2.019 -7.362 -2.399
48 HB ILE 47 HB ILE 47 -0.252 -7.136 -4.261
49 1HG1 ILE 47 2HG1 ILE 47 1.016 -5.097 -4.330
50 2HG1 ILE 47 3HG1 ILE 47 0.310 -4.526 -2.832
51 1HG2 ILE 47 1HG2 ILE 47 -1.493 -5.394 -5.274
52 2HG2 ILE 47 2HG2 ILE 47 -2.627 -6.264 -4.214
53 3HG2 ILE 47 3HG2 ILE 47 -1.951 -4.700 -3.701
54 1HD1 ILE 47 1HD1 ILE 47 1.508 -6.074 -1.510
55 2HD1 ILE 47 2HD1 ILE 47 1.791 -7.170 -2.885
56 3HD1 ILE 47 3HD1 ILE 47 2.687 -5.636 -2.770
57 H TRP 48 H TRP 48 0.499 -7.177 -0.154
58 HA TRP 48 HA TRP 48 1.797 -9.619 -1.040
59 1HB TRP 48 2HB TRP 48 2.627 -7.352 0.361
60 2HB TRP 48 3HB TRP 48 2.571 -8.617 1.572
61 HD1 TRP 48 HD1 TRP 48 4.953 -7.228 -0.802
62 HE1 TRP 48 HE1 TRP 48 6.963 -8.830 -1.400
63 HE3 TRP 48 HE3 TRP 48 2.814 -11.459 1.035
64 HZ2 TRP 48 HZ2 TRP 48 7.422 -11.624 -1.047
65 HZ3 TRP 48 HZ3 TRP 48 4.111 -13.582 0.869
66 HH2 TRP 48 HH2 TRP 48 6.338 -13.708 -0.128
67 H PHE 49 H PHE 49 -0.226 -8.301 1.662
68 HA PHE 49 HA PHE 49 -0.347 -10.585 3.193
69 1HB PHE 49 2HB PHE 49 -2.438 -8.421 2.546
70 2HB PHE 49 3HB PHE 49 -2.564 -9.502 3.920
71 HD1 PHE 49 HD1 PHE 49 -2.368 -6.383 3.768
72 HD2 PHE 49 HD2 PHE 49 0.436 -9.453 4.619
73 HE1 PHE 49 HE1 PHE 49 -1.027 -4.776 5.155
74 HE2 PHE 49 HE2 PHE 49 1.775 -7.846 6.006
75 HZ PHE 49 HZ PHE 49 1.027 -5.527 6.257
76 H GLN 50 H GLN 50 -2.210 -9.646 0.269
77 HA GLN 50 HA GLN 50 -3.935 -11.903 0.565
78 1HB GLN 50 2HB GLN 50 -5.029 -11.086 -1.435
79 2HB GLN 50 3HB GLN 50 -4.674 -9.704 -0.418
80 1HG GLN 50 2HG GLN 50 -3.643 -8.782 -2.219
81 2HG GLN 50 3HG GLN 50 -2.354 -9.941 -1.967
82 1HE2 GLN 50 1HE2 GLN 50 -2.115 -11.678 -3.281
83 2HE2 GLN 50 2HE2 GLN 50 -3.028 -11.951 -4.728
84 H ASN 51 H ASN 51 -0.759 -11.373 -0.561
85 HA ASN 51 HA ASN 51 -0.902 -13.266 -2.694
86 1HB ASN 51 2HB ASN 51 1.168 -11.466 -1.478
87 2HB ASN 51 3HB ASN 51 1.791 -12.933 -2.206
88 1HD2 ASN 51 1HD2 ASN 51 2.625 -10.761 -3.349
89 2HD2 ASN 51 2HD2 ASN 51 1.847 -10.414 -4.856
90 H ARG 52 H ARG 52 0.172 -13.020 0.730
91 HA ARG 52 HA ARG 52 1.388 -15.575 0.708
92 1HB ARG 52 2HB ARG 52 1.635 -13.382 2.319
93 2HB ARG 52 3HB ARG 52 0.523 -14.316 3.299
94 1HG ARG 52 2HG ARG 52 2.883 -15.791 2.166
95 2HG ARG 52 3HG ARG 52 3.219 -14.628 3.433
96 1HD ARG 52 2HD ARG 52 1.815 -15.765 5.014
97 2HD ARG 52 3HD ARG 52 1.004 -16.687 3.764
98 HE ARG 52 HE ARG 52 2.734 -18.254 3.848
99 1HH1 ARG 52 2HH2 ARG 52 3.876 -15.227 5.233
100 2HH1 ARG 52 1HH2 ARG 52 5.395 -15.886 5.744
101 1HH2 ARG 52 2HH1 ARG 52 4.738 -19.123 4.521
102 2HH2 ARG 52 1HH1 ARG 52 5.888 -18.116 5.335
103 H ARG 53 H ARG 53 -1.841 -14.289 1.121
104 HA ARG 53 HA ARG 53 -2.869 -16.201 2.833
105 1HB ARG 53 2HB ARG 53 -3.913 -14.144 0.962
106 2HB ARG 53 3HB ARG 53 -5.002 -15.503 1.163
107 1HG ARG 53 2HG ARG 53 -4.810 -15.228 3.674
108 2HG ARG 53 3HG ARG 53 -3.821 -13.805 3.413
109 1HD ARG 53 2HD ARG 53 -5.742 -12.809 2.056
110 2HD ARG 53 3HD ARG 53 -6.722 -14.184 2.526
111 HE ARG 53 HE ARG 53 -5.949 -11.930 4.223
112 1HH1 ARG 53 2HH2 ARG 53 -6.969 -15.298 4.217
113 2HH1 ARG 53 1HH2 ARG 53 -7.601 -15.242 5.829
114 1HH2 ARG 53 2HH1 ARG 53 -6.783 -11.856 6.350
115 2HH2 ARG 53 1HH1 ARG 53 -7.494 -13.272 7.050
116 H MET 54 H MET 54 -1.874 -16.337 -0.514
117 HA MET 54 HA MET 54 -3.623 -18.389 -1.319
118 1HB MET 54 2HB MET 54 -2.298 -16.753 -2.802
119 2HB MET 54 3HB MET 54 -0.851 -17.664 -2.415
120 1HG MET 54 2HG MET 54 -2.418 -19.732 -3.223
121 2HG MET 54 3HG MET 54 -3.188 -18.451 -4.139
122 1HE MET 54 1HE MET 54 -0.753 -16.861 -6.222
123 2HE MET 54 2HE MET 54 -1.792 -18.113 -6.946
124 3HE MET 54 3HE MET 54 -2.412 -17.100 -5.621
125 H LYS 55 H LYS 55 -0.690 -18.278 0.588
126 HA LYS 55 HA LYS 55 0.008 -21.021 0.049
127 1HB LYS 55 2HB LYS 55 1.666 -19.165 0.486
128 2HB LYS 55 3HB LYS 55 1.127 -19.153 2.153
129 1HG LYS 55 2HG LYS 55 2.477 -20.911 2.619
130 2HG LYS 55 3HG LYS 55 1.616 -21.896 1.454
131 1HD LYS 55 2HD LYS 55 3.584 -21.953 0.302
132 2HD LYS 55 3HD LYS 55 3.178 -20.329 -0.214
133 1HE LYS 55 2HE LYS 55 4.899 -19.441 0.976
134 2HE LYS 55 3HE LYS 55 4.368 -20.235 2.446
135 1HZ LYS 55 1HZ LYS 55 5.913 -21.560 0.326
136 2HZ LYS 55 2HZ LYS 55 6.557 -20.951 1.698
137 3HZ LYS 55 3HZ LYS 55 5.509 -22.201 1.773
138 H TRP 56 H TRP 56 -1.823 -19.106 2.426
139 HA TRP 56 HA TRP 56 -1.922 -20.808 4.549
140 1HB TRP 56 2HB TRP 56 -3.445 -18.598 3.532
141 2HB TRP 56 3HB TRP 56 -4.542 -19.808 4.168
142 HD1 TRP 56 HD1 TRP 56 -1.136 -19.451 5.891
143 HE1 TRP 56 HE1 TRP 56 -1.376 -18.431 8.312
144 HE3 TRP 56 HE3 TRP 56 -6.057 -18.245 5.463
145 HZ2 TRP 56 HZ2 TRP 56 -3.549 -17.260 9.745
146 HZ3 TRP 56 HZ3 TRP 56 -7.162 -17.167 7.420
147 HH2 TRP 56 HH2 TRP 56 -5.990 -16.673 9.506
148 H LYS 57 H LYS 57 -4.154 -20.761 1.670
149 HA LYS 57 HA LYS 57 -5.358 -23.219 2.418
150 1HB LYS 57 2HB LYS 57 -6.555 -23.016 0.321
151 2HB LYS 57 3HB LYS 57 -6.534 -21.473 1.150
152 1HG LYS 57 2HG LYS 57 -4.309 -21.104 -0.316
153 2HG LYS 57 3HG LYS 57 -5.054 -22.311 -1.344
154 1HD LYS 57 2HD LYS 57 -6.772 -20.019 -0.394
155 2HD LYS 57 3HD LYS 57 -5.580 -19.687 -1.635
156 1HE LYS 57 2HE LYS 57 -6.649 -21.008 -3.227
157 2HE LYS 57 3HE LYS 57 -7.268 -22.137 -2.039
158 1HZ LYS 57 1HZ LYS 57 -8.534 -19.891 -1.379
159 2HZ LYS 57 2HZ LYS 57 -8.431 -19.712 -3.000
160 3HZ LYS 57 3HZ LYS 57 -9.152 -21.035 -2.368
161 H LYS 58 H LYS 58 -2.566 -22.236 0.449
162 HA LYS 58 HA LYS 58 -0.981 -23.399 -0.552
163 1HB LYS 58 2HB LYS 58 -1.551 -24.802 1.808
164 2HB LYS 58 3HB LYS 58 -1.460 -26.040 0.571
165 1HG LYS 58 2HG LYS 58 0.763 -25.345 -0.099
166 2HG LYS 58 3HG LYS 58 0.655 -23.860 0.823
167 1HD LYS 58 2HD LYS 58 1.854 -25.093 2.361
168 2HD LYS 58 3HD LYS 58 0.249 -25.593 2.858
169 1HE LYS 58 2HE LYS 58 1.756 -27.128 0.708
170 2HE LYS 58 3HE LYS 58 2.051 -27.444 2.406
171 1HZ LYS 58 1HZ LYS 58 -0.414 -27.720 2.589
172 2HZ LYS 58 2HZ LYS 58 -0.476 -27.734 0.957
173 3HZ LYS 58 3HZ LYS 58 0.366 -28.885 1.752
Start of MODEL 7
1 H ARG 43 H ARG 43 1.211 1.366 -1.835
2 HA ARG 43 HA ARG 43 2.237 0.859 0.729
3 1HB ARG 43 2HB ARG 43 -0.297 0.442 -0.750
4 2HB ARG 43 3HB ARG 43 0.029 -0.845 0.394
5 1HG ARG 43 2HG ARG 43 0.663 1.356 1.926
6 2HG ARG 43 3HG ARG 43 -0.587 2.033 0.899
7 1HD ARG 43 2HD ARG 43 -1.840 -0.280 1.539
8 2HD ARG 43 3HD ARG 43 -0.792 -0.176 2.940
9 HE ARG 43 HE ARG 43 -1.821 2.361 2.839
10 1HH1 ARG 43 2HH2 ARG 43 -3.351 -0.804 2.682
11 2HH1 ARG 43 1HH2 ARG 43 -4.834 -0.263 3.396
12 1HH2 ARG 43 2HH1 ARG 43 -3.777 3.074 3.781
13 2HH2 ARG 43 1HH1 ARG 43 -5.078 1.957 4.024
14 H GLN 44 H GLN 44 1.149 -1.380 -1.941
15 HA GLN 44 HA GLN 44 1.680 -3.434 -2.424
16 1HB GLN 44 2HB GLN 44 4.215 -2.013 -2.042
17 2HB GLN 44 3HB GLN 44 4.406 -3.733 -1.760
18 1HG GLN 44 2HG GLN 44 4.001 -4.283 -3.959
19 2HG GLN 44 3HG GLN 44 2.756 -3.063 -4.147
20 1HE2 GLN 44 1HE2 GLN 44 6.029 -3.900 -4.596
21 2HE2 GLN 44 2HE2 GLN 44 6.608 -2.422 -5.288
22 H ILE 45 H ILE 45 0.930 -2.721 0.469
23 HA ILE 45 HA ILE 45 2.123 -5.068 1.766
24 HB ILE 45 HB ILE 45 2.035 -2.469 2.621
25 1HG1 ILE 45 2HG1 ILE 45 2.796 -3.357 4.762
26 2HG1 ILE 45 3HG1 ILE 45 2.164 -4.944 4.367
27 1HG2 ILE 45 1HG2 ILE 45 -0.184 -3.950 4.057
28 2HG2 ILE 45 2HG2 ILE 45 0.474 -2.354 4.486
29 3HG2 ILE 45 3HG2 ILE 45 -0.395 -2.573 2.949
30 1HD1 ILE 45 1HD1 ILE 45 4.088 -5.454 3.295
31 2HD1 ILE 45 2HD1 ILE 45 3.828 -4.098 2.172
32 3HD1 ILE 45 3HD1 ILE 45 4.725 -3.839 3.687
33 H LYS 46 H LYS 46 -0.668 -3.834 0.201
34 HA LYS 46 HA LYS 46 -2.417 -5.639 1.694
35 1HB LYS 46 2HB LYS 46 -4.246 -4.450 0.537
36 2HB LYS 46 3HB LYS 46 -3.243 -3.382 1.498
37 1HG LYS 46 2HG LYS 46 -2.601 -2.181 -0.326
38 2HG LYS 46 3HG LYS 46 -2.187 -3.625 -1.227
39 1HD LYS 46 2HD LYS 46 -4.158 -3.606 -2.375
40 2HD LYS 46 3HD LYS 46 -5.100 -3.352 -0.920
41 1HE LYS 46 2HE LYS 46 -5.482 -1.245 -1.696
42 2HE LYS 46 3HE LYS 46 -3.829 -0.886 -1.236
43 1HZ LYS 46 1HZ LYS 46 -3.415 -0.584 -3.360
44 2HZ LYS 46 2HZ LYS 46 -3.711 -2.160 -3.668
45 3HZ LYS 46 3HZ LYS 46 -4.913 -1.063 -3.801
46 H ILE 47 H ILE 47 -0.450 -5.442 -1.120
47 HA ILE 47 HA ILE 47 -2.083 -7.451 -2.486
48 HB ILE 47 HB ILE 47 -0.342 -6.959 -4.331
49 1HG1 ILE 47 2HG1 ILE 47 0.667 -4.758 -4.282
50 2HG1 ILE 47 3HG1 ILE 47 -0.041 -4.412 -2.717
51 1HG2 ILE 47 1HG2 ILE 47 -2.211 -4.677 -3.732
52 2HG2 ILE 47 2HG2 ILE 47 -1.798 -5.421 -5.295
53 3HG2 ILE 47 3HG2 ILE 47 -2.829 -6.296 -4.137
54 1HD1 ILE 47 1HD1 ILE 47 1.410 -5.850 -1.575
55 2HD1 ILE 47 2HD1 ILE 47 1.670 -6.883 -3.001
56 3HD1 ILE 47 3HD1 ILE 47 2.461 -5.292 -2.898
57 H TRP 48 H TRP 48 0.556 -7.086 -0.339
58 HA TRP 48 HA TRP 48 1.934 -9.446 -1.328
59 1HB TRP 48 2HB TRP 48 2.756 -7.122 -0.047
60 2HB TRP 48 3HB TRP 48 2.840 -8.340 1.211
61 HD1 TRP 48 HD1 TRP 48 4.899 -6.998 -1.536
62 HE1 TRP 48 HE1 TRP 48 6.971 -8.513 -2.151
63 HE3 TRP 48 HE3 TRP 48 3.306 -11.113 0.990
64 HZ2 TRP 48 HZ2 TRP 48 7.694 -11.202 -1.527
65 HZ3 TRP 48 HZ3 TRP 48 4.753 -13.142 0.936
66 HH2 TRP 48 HH2 TRP 48 6.880 -13.229 -0.266
67 H PHE 49 H PHE 49 -0.131 -8.252 1.367
68 HA PHE 49 HA PHE 49 0.077 -10.487 3.002
69 1HB PHE 49 2HB PHE 49 -2.152 -8.455 2.405
70 2HB PHE 49 3HB PHE 49 -2.255 -9.581 3.743
71 HD1 PHE 49 HD1 PHE 49 -2.553 -7.063 4.693
72 HD2 PHE 49 HD2 PHE 49 1.109 -8.833 3.484
73 HE1 PHE 49 HE1 PHE 49 -1.294 -5.451 6.147
74 HE2 PHE 49 HE2 PHE 49 2.369 -7.221 4.938
75 HZ PHE 49 HZ PHE 49 1.153 -5.549 6.252
76 H GLN 50 H GLN 50 -1.913 -9.830 0.102
77 HA GLN 50 HA GLN 50 -3.607 -12.044 0.536
78 1HB GLN 50 2HB GLN 50 -4.545 -10.344 -0.802
79 2HB GLN 50 3HB GLN 50 -3.087 -10.139 -1.752
80 1HG GLN 50 2HG GLN 50 -4.323 -12.856 -1.899
81 2HG GLN 50 3HG GLN 50 -5.285 -11.564 -2.589
82 1HE2 GLN 50 1HE2 GLN 50 -3.526 -9.844 -3.628
83 2HE2 GLN 50 2HE2 GLN 50 -2.575 -10.558 -4.887
84 H ASN 51 H ASN 51 -0.506 -11.466 -1.131
85 HA ASN 51 HA ASN 51 -0.492 -13.713 -2.717
86 1HB ASN 51 2HB ASN 51 1.548 -11.847 -1.557
87 2HB ASN 51 3HB ASN 51 2.174 -13.406 -2.054
88 1HD2 ASN 51 1HD2 ASN 51 -0.055 -10.864 -3.174
89 2HD2 ASN 51 2HD2 ASN 51 0.419 -10.872 -4.839
90 H ARG 52 H ARG 52 0.375 -13.133 0.729
91 HA ARG 52 HA ARG 52 1.433 -15.752 1.038
92 1HB ARG 52 2HB ARG 52 0.716 -13.581 3.074
93 2HB ARG 52 3HB ARG 52 1.522 -15.079 3.494
94 1HG ARG 52 2HG ARG 52 2.819 -13.683 1.230
95 2HG ARG 52 3HG ARG 52 2.780 -12.712 2.688
96 1HD ARG 52 2HD ARG 52 4.674 -13.884 3.244
97 2HD ARG 52 3HD ARG 52 3.547 -15.126 3.752
98 HE ARG 52 HE ARG 52 4.120 -15.336 0.914
99 1HH1 ARG 52 2HH2 ARG 52 5.415 -16.074 4.101
100 2HH1 ARG 52 1HH2 ARG 52 6.392 -17.389 3.540
101 1HH2 ARG 52 2HH1 ARG 52 5.408 -17.071 0.173
102 2HH2 ARG 52 1HH1 ARG 52 6.389 -17.961 1.290
103 H ARG 53 H ARG 53 -1.692 -14.182 1.201
104 HA ARG 53 HA ARG 53 -2.843 -15.963 3.048
105 1HB ARG 53 2HB ARG 53 -3.582 -13.548 1.880
106 2HB ARG 53 3HB ARG 53 -4.654 -14.669 1.068
107 1HG ARG 53 2HG ARG 53 -5.789 -15.236 3.021
108 2HG ARG 53 3HG ARG 53 -4.383 -14.996 4.041
109 1HD ARG 53 2HD ARG 53 -5.021 -12.868 4.524
110 2HD ARG 53 3HD ARG 53 -5.110 -12.456 2.824
111 HE ARG 53 HE ARG 53 -7.433 -12.855 2.847
112 1HH1 ARG 53 2HH2 ARG 53 -5.977 -14.046 5.822
113 2HH1 ARG 53 1HH2 ARG 53 -7.496 -14.320 6.606
114 1HH2 ARG 53 2HH1 ARG 53 -9.437 -13.216 3.883
115 2HH2 ARG 53 1HH1 ARG 53 -9.478 -13.845 5.496
116 H MET 54 H MET 54 -1.915 -16.181 -0.274
117 HA MET 54 HA MET 54 -3.971 -18.037 -0.988
118 1HB MET 54 2HB MET 54 -2.042 -16.369 -2.320
119 2HB MET 54 3HB MET 54 -1.644 -18.017 -2.768
120 1HG MET 54 2HG MET 54 -3.233 -17.389 -4.410
121 2HG MET 54 3HG MET 54 -4.195 -18.304 -3.266
122 1HE MET 54 1HE MET 54 -6.046 -15.010 -4.804
123 2HE MET 54 2HE MET 54 -4.955 -16.248 -5.469
124 3HE MET 54 3HE MET 54 -6.398 -16.735 -4.550
125 H LYS 55 H LYS 55 -0.851 -18.110 0.556
126 HA LYS 55 HA LYS 55 0.022 -20.633 -0.296
127 1HB LYS 55 2HB LYS 55 0.714 -18.669 1.801
128 2HB LYS 55 3HB LYS 55 1.095 -20.330 2.206
129 1HG LYS 55 2HG LYS 55 1.818 -19.358 -0.556
130 2HG LYS 55 3HG LYS 55 2.790 -18.792 0.788
131 1HD LYS 55 2HD LYS 55 2.325 -21.661 1.049
132 2HD LYS 55 3HD LYS 55 2.968 -21.309 -0.544
133 1HE LYS 55 2HE LYS 55 5.019 -21.251 0.443
134 2HE LYS 55 3HE LYS 55 4.547 -19.697 1.103
135 1HZ LYS 55 1HZ LYS 55 3.725 -22.115 2.495
136 2HZ LYS 55 2HZ LYS 55 5.266 -21.598 2.655
137 3HZ LYS 55 3HZ LYS 55 4.030 -20.628 3.099
138 H TRP 56 H TRP 56 -2.029 -19.551 2.474
139 HA TRP 56 HA TRP 56 -2.274 -21.922 3.803
140 1HB TRP 56 2HB TRP 56 -3.946 -19.499 3.463
141 2HB TRP 56 3HB TRP 56 -4.765 -20.922 4.077
142 HD1 TRP 56 HD1 TRP 56 -1.106 -20.082 5.052
143 HE1 TRP 56 HE1 TRP 56 -0.904 -19.612 7.642
144 HE3 TRP 56 HE3 TRP 56 -6.098 -20.242 6.004
145 HZ2 TRP 56 HZ2 TRP 56 -2.812 -19.367 9.749
146 HZ3 TRP 56 HZ3 TRP 56 -6.846 -19.879 8.354
147 HH2 TRP 56 HH2 TRP 56 -5.293 -19.453 10.194
148 H LYS 57 H LYS 57 -4.203 -20.688 0.982
149 HA LYS 57 HA LYS 57 -4.910 -23.486 0.439
150 1HB LYS 57 2HB LYS 57 -7.112 -22.775 -0.287
151 2HB LYS 57 3HB LYS 57 -6.843 -22.300 1.378
152 1HG LYS 57 2HG LYS 57 -7.335 -20.163 0.806
153 2HG LYS 57 3HG LYS 57 -5.879 -20.121 -0.169
154 1HD LYS 57 2HD LYS 57 -7.246 -21.213 -2.056
155 2HD LYS 57 3HD LYS 57 -8.674 -20.938 -1.079
156 1HE LYS 57 2HE LYS 57 -8.536 -19.045 -2.544
157 2HE LYS 57 3HE LYS 57 -8.003 -18.459 -0.981
158 1HZ LYS 57 1HZ LYS 57 -5.715 -18.896 -1.739
159 2HZ LYS 57 2HZ LYS 57 -6.286 -19.252 -3.227
160 3HZ LYS 57 3HZ LYS 57 -6.478 -17.749 -2.616
161 H LYS 58 H LYS 58 -3.569 -24.016 -1.225
162 HA LYS 58 HA LYS 58 -2.862 -22.027 -3.173
163 1HB LYS 58 2HB LYS 58 -1.436 -23.756 -4.093
164 2HB LYS 58 3HB LYS 58 -1.229 -23.673 -2.355
165 1HG LYS 58 2HG LYS 58 -3.379 -25.539 -3.070
166 2HG LYS 58 3HG LYS 58 -1.883 -25.966 -3.876
167 1HD LYS 58 2HD LYS 58 -0.698 -25.808 -1.632
168 2HD LYS 58 3HD LYS 58 -2.256 -25.542 -0.874
169 1HE LYS 58 2HE LYS 58 -2.967 -27.767 -2.113
170 2HE LYS 58 3HE LYS 58 -1.244 -28.039 -2.272
171 1HZ LYS 58 1HZ LYS 58 -1.517 -27.324 0.301
172 2HZ LYS 58 2HZ LYS 58 -2.877 -28.192 0.048
173 3HZ LYS 58 3HZ LYS 58 -1.415 -28.861 -0.240
Start of MODEL 8
1 H ARG 43 H ARG 43 3.568 1.555 -0.568
2 HA ARG 43 HA ARG 43 1.246 -0.110 -0.311
3 1HB ARG 43 2HB ARG 43 1.402 -0.291 -2.789
4 2HB ARG 43 3HB ARG 43 1.470 1.385 -2.282
5 1HG ARG 43 2HG ARG 43 4.141 0.114 -2.392
6 2HG ARG 43 3HG ARG 43 3.321 0.102 -3.942
7 1HD ARG 43 2HD ARG 43 2.841 2.698 -2.910
8 2HD ARG 43 3HD ARG 43 4.511 2.363 -2.492
9 HE ARG 43 HE ARG 43 4.445 1.552 -5.101
10 1HH1 ARG 43 2HH2 ARG 43 3.296 4.490 -3.541
11 2HH1 ARG 43 1HH2 ARG 43 3.534 5.480 -4.942
12 1HH2 ARG 43 2HH1 ARG 43 4.759 2.857 -6.951
13 2HH2 ARG 43 1HH1 ARG 43 4.371 4.545 -6.895
14 H GLN 44 H GLN 44 1.730 -2.134 -2.209
15 HA GLN 44 HA GLN 44 2.616 -4.098 -2.476
16 1HB GLN 44 2HB GLN 44 4.827 -2.405 -2.427
17 2HB GLN 44 3HB GLN 44 5.269 -3.631 -1.255
18 1HG GLN 44 2HG GLN 44 5.205 -5.375 -2.839
19 2HG GLN 44 3HG GLN 44 4.095 -4.523 -3.894
20 1HE2 GLN 44 1HE2 GLN 44 6.041 -5.562 -5.191
21 2HE2 GLN 44 2HE2 GLN 44 7.286 -4.447 -5.647
22 H ILE 45 H ILE 45 1.654 -2.935 0.316
23 HA ILE 45 HA ILE 45 2.714 -5.137 1.938
24 HB ILE 45 HB ILE 45 1.733 -2.384 2.577
25 1HG1 ILE 45 2HG1 ILE 45 3.993 -3.703 3.989
26 2HG1 ILE 45 3HG1 ILE 45 4.227 -3.382 2.283
27 1HG2 ILE 45 1HG2 ILE 45 1.940 -3.318 5.050
28 2HG2 ILE 45 2HG2 ILE 45 0.404 -3.362 4.151
29 3HG2 ILE 45 3HG2 ILE 45 1.412 -4.825 4.262
30 1HD1 ILE 45 1HD1 ILE 45 4.196 -1.087 2.557
31 2HD1 ILE 45 2HD1 ILE 45 3.020 -1.159 3.892
32 3HD1 ILE 45 3HD1 ILE 45 4.735 -1.534 4.194
33 H LYS 46 H LYS 46 -0.042 -3.888 0.222
34 HA LYS 46 HA LYS 46 -1.831 -5.629 1.745
35 1HB LYS 46 2HB LYS 46 -2.565 -3.587 -0.367
36 2HB LYS 46 3HB LYS 46 -3.639 -4.393 0.758
37 1HG LYS 46 2HG LYS 46 -1.424 -3.046 2.153
38 2HG LYS 46 3HG LYS 46 -2.337 -1.926 1.162
39 1HD LYS 46 2HD LYS 46 -4.367 -3.411 2.349
40 2HD LYS 46 3HD LYS 46 -3.161 -3.376 3.621
41 1HE LYS 46 2HE LYS 46 -3.407 -1.115 3.979
42 2HE LYS 46 3HE LYS 46 -3.561 -0.754 2.270
43 1HZ LYS 46 1HZ LYS 46 -5.815 -1.679 2.392
44 2HZ LYS 46 2HZ LYS 46 -5.658 -1.852 4.008
45 3HZ LYS 46 3HZ LYS 46 -5.620 -0.363 3.339
46 H ILE 47 H ILE 47 0.029 -5.378 -1.190
47 HA ILE 47 HA ILE 47 -1.636 -7.268 -2.605
48 HB ILE 47 HB ILE 47 -0.577 -6.591 -4.442
49 1HG1 ILE 47 2HG1 ILE 47 1.452 -7.818 -4.028
50 2HG1 ILE 47 3HG1 ILE 47 1.862 -6.228 -4.638
51 1HG2 ILE 47 1HG2 ILE 47 0.017 -4.324 -4.422
52 2HG2 ILE 47 2HG2 ILE 47 -1.092 -4.511 -3.043
53 3HG2 ILE 47 3HG2 ILE 47 0.663 -4.411 -2.766
54 1HD1 ILE 47 1HD1 ILE 47 3.247 -6.064 -2.841
55 2HD1 ILE 47 2HD1 ILE 47 1.772 -5.809 -1.878
56 3HD1 ILE 47 3HD1 ILE 47 2.470 -7.440 -2.022
57 H TRP 48 H TRP 48 0.700 -7.364 -0.140
58 HA TRP 48 HA TRP 48 1.818 -9.901 -1.029
59 1HB TRP 48 2HB TRP 48 2.820 -7.740 0.425
60 2HB TRP 48 3HB TRP 48 2.590 -9.000 1.622
61 HD1 TRP 48 HD1 TRP 48 5.126 -7.874 -0.790
62 HE1 TRP 48 HE1 TRP 48 7.007 -9.660 -1.277
63 HE3 TRP 48 HE3 TRP 48 2.651 -11.814 1.261
64 HZ2 TRP 48 HZ2 TRP 48 7.244 -12.457 -0.761
65 HZ3 TRP 48 HZ3 TRP 48 3.777 -14.037 1.229
66 HH2 TRP 48 HH2 TRP 48 5.994 -14.393 0.263
67 H PHE 49 H PHE 49 -0.342 -8.402 1.428
68 HA PHE 49 HA PHE 49 -0.693 -10.664 3.010
69 1HB PHE 49 2HB PHE 49 -2.484 -8.283 2.247
70 2HB PHE 49 3HB PHE 49 -2.886 -9.381 3.552
71 HD1 PHE 49 HD1 PHE 49 -2.846 -6.802 4.454
72 HD2 PHE 49 HD2 PHE 49 0.545 -9.228 3.665
73 HE1 PHE 49 HE1 PHE 49 -1.484 -5.415 6.041
74 HE2 PHE 49 HE2 PHE 49 1.906 -7.841 5.254
75 HZ PHE 49 HZ PHE 49 0.876 -5.951 6.422
76 H GLN 50 H GLN 50 -2.061 -9.720 -0.129
77 HA GLN 50 HA GLN 50 -4.192 -11.594 0.063
78 1HB GLN 50 2HB GLN 50 -4.874 -10.780 -2.041
79 2HB GLN 50 3HB GLN 50 -4.104 -9.386 -1.307
80 1HG GLN 50 2HG GLN 50 -1.919 -10.457 -2.505
81 2HG GLN 50 3HG GLN 50 -3.142 -11.119 -3.571
82 1HE2 GLN 50 1HE2 GLN 50 -1.274 -9.359 -4.487
83 2HE2 GLN 50 2HE2 GLN 50 -1.998 -7.842 -4.907
84 H ASN 51 H ASN 51 -0.820 -11.610 -0.909
85 HA ASN 51 HA ASN 51 -1.109 -13.907 -2.568
86 1HB ASN 51 2HB ASN 51 1.131 -12.132 -1.626
87 2HB ASN 51 3HB ASN 51 1.583 -13.768 -2.060
88 1HD2 ASN 51 1HD2 ASN 51 2.118 -11.144 -3.314
89 2HD2 ASN 51 2HD2 ASN 51 1.605 -11.268 -4.965
90 H ARG 52 H ARG 52 -0.040 -13.037 0.765
91 HA ARG 52 HA ARG 52 0.921 -15.602 1.368
92 1HB ARG 52 2HB ARG 52 1.497 -13.379 2.541
93 2HB ARG 52 3HB ARG 52 -0.057 -13.486 3.345
94 1HG ARG 52 2HG ARG 52 0.653 -15.816 4.171
95 2HG ARG 52 3HG ARG 52 2.255 -15.465 3.553
96 1HD ARG 52 2HD ARG 52 2.739 -14.324 5.453
97 2HD ARG 52 3HD ARG 52 1.460 -13.181 5.096
98 HE ARG 52 HE ARG 52 0.541 -15.716 6.287
99 1HH1 ARG 52 2HH2 ARG 52 1.566 -12.402 6.883
100 2HH1 ARG 52 1HH2 ARG 52 0.805 -12.311 8.436
101 1HH2 ARG 52 2HH1 ARG 52 -0.464 -15.595 8.336
102 2HH2 ARG 52 1HH1 ARG 52 -0.357 -14.139 9.268
103 H ARG 53 H ARG 53 -2.226 -14.346 0.924
104 HA ARG 53 HA ARG 53 -3.411 -16.060 2.904
105 1HB ARG 53 2HB ARG 53 -4.152 -13.605 1.964
106 2HB ARG 53 3HB ARG 53 -5.103 -14.607 0.887
107 1HG ARG 53 2HG ARG 53 -5.621 -15.856 3.276
108 2HG ARG 53 3HG ARG 53 -5.360 -14.219 3.842
109 1HD ARG 53 2HD ARG 53 -7.064 -14.368 1.413
110 2HD ARG 53 3HD ARG 53 -7.751 -15.195 2.797
111 HE ARG 53 HE ARG 53 -7.983 -13.130 3.917
112 1HH1 ARG 53 2HH2 ARG 53 -6.033 -12.722 1.016
113 2HH1 ARG 53 1HH2 ARG 53 -6.070 -10.992 1.081
114 1HH2 ARG 53 2HH1 ARG 53 -8.033 -10.847 4.001
115 2HH2 ARG 53 1HH1 ARG 53 -7.215 -9.919 2.790
116 H MET 54 H MET 54 -2.160 -17.815 1.391
117 HA MET 54 HA MET 54 -3.913 -19.541 0.441
118 1HB MET 54 2HB MET 54 -3.571 -17.307 -1.478
119 2HB MET 54 3HB MET 54 -3.215 -18.856 -2.217
120 1HG MET 54 2HG MET 54 -5.402 -19.675 -1.900
121 2HG MET 54 3HG MET 54 -5.713 -18.626 -0.530
122 1HE MET 54 1HE MET 54 -4.670 -16.975 -4.503
123 2HE MET 54 2HE MET 54 -4.440 -18.650 -3.949
124 3HE MET 54 3HE MET 54 -5.902 -18.208 -4.863
125 H LYS 55 H LYS 55 -0.787 -17.949 0.090
126 HA LYS 55 HA LYS 55 0.450 -20.196 -1.197
127 1HB LYS 55 2HB LYS 55 1.025 -17.478 -0.907
128 2HB LYS 55 3HB LYS 55 2.246 -18.274 0.066
129 1HG LYS 55 2HG LYS 55 2.176 -19.888 -2.202
130 2HG LYS 55 3HG LYS 55 1.865 -18.302 -2.878
131 1HD LYS 55 2HD LYS 55 3.901 -17.563 -1.324
132 2HD LYS 55 3HD LYS 55 4.297 -19.269 -1.359
133 1HE LYS 55 2HE LYS 55 5.436 -18.683 -3.273
134 2HE LYS 55 3HE LYS 55 3.864 -18.890 -4.020
135 1HZ LYS 55 1HZ LYS 55 4.574 -16.803 -4.662
136 2HZ LYS 55 2HZ LYS 55 3.528 -16.470 -3.453
137 3HZ LYS 55 3HZ LYS 55 5.137 -16.395 -3.184
138 H TRP 56 H TRP 56 -0.220 -19.068 2.085
139 HA TRP 56 HA TRP 56 1.741 -20.368 3.503
140 1HB TRP 56 2HB TRP 56 -0.946 -19.317 4.017
141 2HB TRP 56 3HB TRP 56 -0.503 -20.644 5.072
142 HD1 TRP 56 HD1 TRP 56 1.793 -17.732 3.826
143 HE1 TRP 56 HE1 TRP 56 2.877 -16.471 5.876
144 HE3 TRP 56 HE3 TRP 56 -0.622 -20.401 7.417
145 HZ2 TRP 56 HZ2 TRP 56 2.607 -16.726 8.706
146 HZ3 TRP 56 HZ3 TRP 56 -0.155 -19.832 9.799
147 HH2 TRP 56 HH2 TRP 56 1.396 -18.065 10.467
148 H LYS 57 H LYS 57 -1.562 -21.592 2.571
149 HA LYS 57 HA LYS 57 -0.911 -24.239 3.396
150 1HB LYS 57 2HB LYS 57 -3.126 -24.787 2.454
151 2HB LYS 57 3HB LYS 57 -3.181 -23.440 3.572
152 1HG LYS 57 2HG LYS 57 -3.901 -21.996 1.963
153 2HG LYS 57 3HG LYS 57 -2.674 -22.521 0.827
154 1HD LYS 57 2HD LYS 57 -4.701 -24.607 1.214
155 2HD LYS 57 3HD LYS 57 -5.445 -23.098 0.724
156 1HE LYS 57 2HE LYS 57 -4.064 -22.959 -1.272
157 2HE LYS 57 3HE LYS 57 -3.026 -24.260 -0.724
158 1HZ LYS 57 1HZ LYS 57 -4.789 -24.852 -2.367
159 2HZ LYS 57 2HZ LYS 57 -4.730 -25.799 -1.039
160 3HZ LYS 57 3HZ LYS 57 -5.892 -24.661 -1.179
161 H LYS 58 H LYS 58 -0.077 -25.925 2.232
162 HA LYS 58 HA LYS 58 1.018 -26.940 0.603
163 1HB LYS 58 2HB LYS 58 -1.195 -25.659 -1.017
164 2HB LYS 58 3HB LYS 58 -0.059 -26.809 -1.695
165 1HG LYS 58 2HG LYS 58 -1.719 -28.285 -1.023
166 2HG LYS 58 3HG LYS 58 -0.755 -28.269 0.441
167 1HD LYS 58 2HD LYS 58 -2.319 -26.183 1.062
168 2HD LYS 58 3HD LYS 58 -3.402 -26.918 -0.104
169 1HE LYS 58 2HE LYS 58 -3.825 -28.762 1.232
170 2HE LYS 58 3HE LYS 58 -2.200 -28.801 1.886
171 1HZ LYS 58 1HZ LYS 58 -4.163 -26.738 2.598
172 2HZ LYS 58 2HZ LYS 58 -3.935 -28.102 3.466
173 3HZ LYS 58 3HZ LYS 58 -2.723 -27.017 3.316
Start of MODEL 9
1 H ARG 43 H ARG 43 2.241 0.495 0.609
2 HA ARG 43 HA ARG 43 0.516 0.417 -0.772
3 1HB ARG 43 2HB ARG 43 2.601 1.216 -2.758
4 2HB ARG 43 3HB ARG 43 1.278 0.285 -3.430
5 1HG ARG 43 2HG ARG 43 0.096 2.223 -3.503
6 2HG ARG 43 3HG ARG 43 -0.035 2.108 -1.759
7 1HD ARG 43 2HD ARG 43 1.472 3.803 -1.406
8 2HD ARG 43 3HD ARG 43 2.564 3.223 -2.649
9 HE ARG 43 HE ARG 43 0.118 4.364 -3.765
10 1HH1 ARG 43 2HH2 ARG 43 3.320 5.134 -2.526
11 2HH1 ARG 43 1HH2 ARG 43 3.439 6.626 -3.399
12 1HH2 ARG 43 2HH1 ARG 43 0.274 6.331 -4.916
13 2HH2 ARG 43 1HH1 ARG 43 1.695 7.311 -4.768
14 H GLN 44 H GLN 44 3.522 -1.390 -1.211
15 HA GLN 44 HA GLN 44 2.059 -3.621 -2.338
16 1HB GLN 44 2HB GLN 44 4.961 -2.845 -2.150
17 2HB GLN 44 3HB GLN 44 4.581 -4.552 -2.258
18 1HG GLN 44 2HG GLN 44 3.497 -4.304 -4.377
19 2HG GLN 44 3HG GLN 44 3.322 -2.571 -4.188
20 1HE2 GLN 44 1HE2 GLN 44 4.957 -4.886 -5.773
21 2HE2 GLN 44 2HE2 GLN 44 6.444 -4.080 -6.148
22 H ILE 45 H ILE 45 1.487 -2.809 0.396
23 HA ILE 45 HA ILE 45 2.735 -5.004 1.891
24 HB ILE 45 HB ILE 45 1.589 -2.355 2.739
25 1HG1 ILE 45 2HG1 ILE 45 3.874 -2.201 2.085
26 2HG1 ILE 45 3HG1 ILE 45 3.827 -2.156 3.836
27 1HG2 ILE 45 1HG2 ILE 45 2.409 -3.448 5.077
28 2HG2 ILE 45 2HG2 ILE 45 0.724 -3.448 4.507
29 3HG2 ILE 45 3HG2 ILE 45 1.745 -4.884 4.263
30 1HD1 ILE 45 1HD1 ILE 45 5.582 -3.679 3.353
31 2HD1 ILE 45 2HD1 ILE 45 4.201 -4.736 3.733
32 3HD1 ILE 45 3HD1 ILE 45 4.665 -4.454 2.038
33 H LYS 46 H LYS 46 -0.216 -3.702 0.507
34 HA LYS 46 HA LYS 46 -1.813 -5.603 2.044
35 1HB LYS 46 2HB LYS 46 -3.716 -4.363 1.354
36 2HB LYS 46 3HB LYS 46 -2.508 -3.198 1.858
37 1HG LYS 46 2HG LYS 46 -2.880 -2.193 -0.154
38 2HG LYS 46 3HG LYS 46 -1.902 -3.477 -0.833
39 1HD LYS 46 2HD LYS 46 -3.735 -3.962 -2.102
40 2HD LYS 46 3HD LYS 46 -4.364 -4.727 -0.656
41 1HE LYS 46 2HE LYS 46 -5.664 -2.800 -0.058
42 2HE LYS 46 3HE LYS 46 -4.770 -1.751 -1.140
43 1HZ LYS 46 1HZ LYS 46 -5.913 -3.900 -2.551
44 2HZ LYS 46 2HZ LYS 46 -7.063 -3.098 -1.713
45 3HZ LYS 46 3HZ LYS 46 -6.119 -2.296 -2.775
46 H ILE 47 H ILE 47 -0.265 -5.090 -1.054
47 HA ILE 47 HA ILE 47 -1.968 -6.999 -2.394
48 HB ILE 47 HB ILE 47 -1.144 -6.171 -4.289
49 1HG1 ILE 47 2HG1 ILE 47 0.973 -7.273 -4.204
50 2HG1 ILE 47 3HG1 ILE 47 1.255 -5.611 -4.677
51 1HG2 ILE 47 1HG2 ILE 47 0.133 -4.008 -2.617
52 2HG2 ILE 47 2HG2 ILE 47 -0.667 -3.873 -4.201
53 3HG2 ILE 47 3HG2 ILE 47 -1.632 -4.199 -2.740
54 1HD1 ILE 47 1HD1 ILE 47 2.801 -5.579 -3.006
55 2HD1 ILE 47 2HD1 ILE 47 1.410 -5.455 -1.903
56 3HD1 ILE 47 3HD1 ILE 47 2.131 -7.044 -2.248
57 H TRP 48 H TRP 48 0.532 -7.139 -0.140
58 HA TRP 48 HA TRP 48 1.712 -9.539 -1.305
59 1HB TRP 48 2HB TRP 48 2.729 -7.409 0.207
60 2HB TRP 48 3HB TRP 48 2.718 -8.780 1.299
61 HD1 TRP 48 HD1 TRP 48 4.898 -7.263 -1.235
62 HE1 TRP 48 HE1 TRP 48 6.818 -8.857 -2.093
63 HE3 TRP 48 HE3 TRP 48 2.900 -11.545 0.642
64 HZ2 TRP 48 HZ2 TRP 48 7.275 -11.667 -1.896
65 HZ3 TRP 48 HZ3 TRP 48 4.147 -13.671 0.265
66 HH2 TRP 48 HH2 TRP 48 6.261 -13.776 -0.955
67 H PHE 49 H PHE 49 -0.297 -8.299 1.403
68 HA PHE 49 HA PHE 49 -0.368 -10.666 2.880
69 1HB PHE 49 2HB PHE 49 -2.346 -8.347 2.455
70 2HB PHE 49 3HB PHE 49 -2.531 -9.528 3.736
71 HD1 PHE 49 HD1 PHE 49 -2.537 -7.081 4.859
72 HD2 PHE 49 HD2 PHE 49 0.890 -9.092 3.370
73 HE1 PHE 49 HE1 PHE 49 -1.074 -5.691 6.351
74 HE2 PHE 49 HE2 PHE 49 2.353 -7.703 4.863
75 HZ PHE 49 HZ PHE 49 1.354 -6.019 6.336
76 H GLN 50 H GLN 50 -2.103 -9.589 -0.030
77 HA GLN 50 HA GLN 50 -4.089 -11.616 0.249
78 1HB GLN 50 2HB GLN 50 -5.074 -10.688 -1.692
79 2HB GLN 50 3HB GLN 50 -4.354 -9.307 -0.888
80 1HG GLN 50 2HG GLN 50 -3.280 -8.874 -2.843
81 2HG GLN 50 3HG GLN 50 -2.255 -10.248 -2.480
82 1HE2 GLN 50 1HE2 GLN 50 -2.454 -12.125 -3.575
83 2HE2 GLN 50 2HE2 GLN 50 -3.510 -12.379 -4.925
84 H ASN 51 H ASN 51 -0.826 -11.495 -0.772
85 HA ASN 51 HA ASN 51 -1.124 -13.480 -2.807
86 1HB ASN 51 2HB ASN 51 1.158 -11.921 -1.580
87 2HB ASN 51 3HB ASN 51 1.554 -13.418 -2.399
88 1HD2 ASN 51 1HD2 ASN 51 2.107 -13.190 -4.415
89 2HD2 ASN 51 2HD2 ASN 51 1.523 -12.013 -5.546
90 H ARG 52 H ARG 52 0.194 -13.129 0.554
91 HA ARG 52 HA ARG 52 1.109 -15.740 0.752
92 1HB ARG 52 2HB ARG 52 0.468 -13.510 2.682
93 2HB ARG 52 3HB ARG 52 0.678 -15.115 3.355
94 1HG ARG 52 2HG ARG 52 2.901 -15.269 2.121
95 2HG ARG 52 3HG ARG 52 2.696 -13.596 1.639
96 1HD ARG 52 2HD ARG 52 3.426 -12.851 3.661
97 2HD ARG 52 3HD ARG 52 2.250 -13.835 4.509
98 HE ARG 52 HE ARG 52 3.869 -15.536 4.793
99 1HH1 ARG 52 2HH2 ARG 52 5.077 -13.032 2.636
100 2HH1 ARG 52 1HH2 ARG 52 6.708 -13.613 2.670
101 1HH2 ARG 52 2HH1 ARG 52 6.022 -16.302 4.838
102 2HH2 ARG 52 1HH1 ARG 52 7.250 -15.484 3.930
103 H ARG 53 H ARG 53 -2.084 -14.319 0.889
104 HA ARG 53 HA ARG 53 -3.357 -15.986 2.627
105 1HB ARG 53 2HB ARG 53 -4.079 -13.998 0.751
106 2HB ARG 53 3HB ARG 53 -4.977 -15.408 0.230
107 1HG ARG 53 2HG ARG 53 -6.461 -15.110 1.916
108 2HG ARG 53 3HG ARG 53 -5.178 -15.297 3.096
109 1HD ARG 53 2HD ARG 53 -4.605 -12.851 2.815
110 2HD ARG 53 3HD ARG 53 -5.951 -12.685 1.706
111 HE ARG 53 HE ARG 53 -7.464 -12.837 3.516
112 1HH1 ARG 53 2HH2 ARG 53 -4.202 -13.620 4.581
113 2HH1 ARG 53 1HH2 ARG 53 -4.603 -13.571 6.265
114 1HH2 ARG 53 2HH1 ARG 53 -7.993 -12.772 5.738
115 2HH2 ARG 53 1HH1 ARG 53 -6.774 -13.086 6.928
116 H MET 54 H MET 54 -1.905 -16.681 -0.458
117 HA MET 54 HA MET 54 -3.572 -18.986 -0.905
118 1HB MET 54 2HB MET 54 -2.591 -17.365 -2.712
119 2HB MET 54 3HB MET 54 -1.050 -18.147 -2.423
120 1HG MET 54 2HG MET 54 -2.874 -20.290 -2.747
121 2HG MET 54 3HG MET 54 -3.358 -19.117 -3.957
122 1HE MET 54 1HE MET 54 -1.791 -21.695 -5.763
123 2HE MET 54 2HE MET 54 -3.064 -20.459 -5.619
124 3HE MET 54 3HE MET 54 -1.645 -20.158 -6.650
125 H LYS 55 H LYS 55 -0.637 -18.136 0.736
126 HA LYS 55 HA LYS 55 0.819 -20.499 0.384
127 1HB LYS 55 2HB LYS 55 1.374 -18.117 1.454
128 2HB LYS 55 3HB LYS 55 0.991 -18.960 2.941
129 1HG LYS 55 2HG LYS 55 2.897 -20.219 2.861
130 2HG LYS 55 3HG LYS 55 2.699 -20.577 1.157
131 1HD LYS 55 2HD LYS 55 4.551 -19.231 0.938
132 2HD LYS 55 3HD LYS 55 3.361 -17.945 0.955
133 1HE LYS 55 2HE LYS 55 4.293 -17.102 2.841
134 2HE LYS 55 3HE LYS 55 3.908 -18.582 3.697
135 1HZ LYS 55 1HZ LYS 55 6.063 -19.224 2.193
136 2HZ LYS 55 2HZ LYS 55 6.401 -17.706 2.693
137 3HZ LYS 55 3HZ LYS 55 6.080 -18.874 3.789
138 H TRP 56 H TRP 56 -1.777 -19.534 2.676
139 HA TRP 56 HA TRP 56 -1.628 -21.585 4.468
140 1HB TRP 56 2HB TRP 56 -3.222 -20.156 5.121
141 2HB TRP 56 3HB TRP 56 -3.703 -19.755 3.485
142 HD1 TRP 56 HD1 TRP 56 -5.787 -21.121 2.470
143 HE1 TRP 56 HE1 TRP 56 -7.599 -22.789 3.417
144 HE3 TRP 56 HE3 TRP 56 -3.403 -22.039 6.865
145 HZ2 TRP 56 HZ2 TRP 56 -7.827 -24.273 5.844
146 HZ3 TRP 56 HZ3 TRP 56 -4.487 -23.610 8.468
147 HH2 TRP 56 HH2 TRP 56 -6.622 -24.711 8.016
148 H LYS 57 H LYS 57 -3.417 -21.494 1.301
149 HA LYS 57 HA LYS 57 -3.870 -24.345 1.496
150 1HB LYS 57 2HB LYS 57 -5.303 -24.063 -0.399
151 2HB LYS 57 3HB LYS 57 -5.645 -22.773 0.736
152 1HG LYS 57 2HG LYS 57 -4.002 -21.314 -0.614
153 2HG LYS 57 3HG LYS 57 -3.992 -22.584 -1.820
154 1HD LYS 57 2HD LYS 57 -6.704 -21.704 -0.918
155 2HD LYS 57 3HD LYS 57 -5.783 -20.501 -1.799
156 1HE LYS 57 2HE LYS 57 -5.316 -22.612 -3.432
157 2HE LYS 57 3HE LYS 57 -6.832 -23.160 -2.746
158 1HZ LYS 57 1HZ LYS 57 -7.945 -21.400 -3.633
159 2HZ LYS 57 2HZ LYS 57 -6.639 -20.422 -3.709
160 3HZ LYS 57 3HZ LYS 57 -6.820 -21.631 -4.793
161 H LYS 58 H LYS 58 -3.525 -25.521 -0.800
162 HA LYS 58 HA LYS 58 -0.705 -25.546 -1.130
163 1HB LYS 58 2HB LYS 58 -3.033 -27.065 -2.263
164 2HB LYS 58 3HB LYS 58 -1.474 -27.184 -3.052
165 1HG LYS 58 2HG LYS 58 -1.295 -28.919 -1.498
166 2HG LYS 58 3HG LYS 58 -0.562 -27.607 -0.595
167 1HD LYS 58 2HD LYS 58 -2.067 -28.239 1.025
168 2HD LYS 58 3HD LYS 58 -3.161 -27.211 0.120
169 1HE LYS 58 2HE LYS 58 -4.483 -28.989 -0.360
170 2HE LYS 58 3HE LYS 58 -3.149 -29.800 -1.154
171 1HZ LYS 58 1HZ LYS 58 -4.229 -30.255 1.419
172 2HZ LYS 58 2HZ LYS 58 -3.260 -31.214 0.519
173 3HZ LYS 58 3HZ LYS 58 -2.608 -30.065 1.480
Start of MODEL 10
1 H ARG 43 H ARG 43 -2.047 0.098 -1.544
2 HA ARG 43 HA ARG 43 0.220 1.195 -0.224
3 1HB ARG 43 2HB ARG 43 -1.930 -0.322 1.287
4 2HB ARG 43 3HB ARG 43 -0.258 -0.499 1.782
5 1HG ARG 43 2HG ARG 43 -0.035 1.839 2.279
6 2HG ARG 43 3HG ARG 43 -1.483 2.257 1.384
7 1HD ARG 43 2HD ARG 43 -2.788 0.808 3.091
8 2HD ARG 43 3HD ARG 43 -1.318 0.773 4.044
9 HE ARG 43 HE ARG 43 -1.963 3.491 3.298
10 1HH1 ARG 43 2HH2 ARG 43 -2.906 0.921 5.508
11 2HH1 ARG 43 1HH2 ARG 43 -3.529 2.006 6.705
12 1HH2 ARG 43 2HH1 ARG 43 -2.785 4.923 4.877
13 2HH2 ARG 43 1HH1 ARG 43 -3.460 4.298 6.345
14 H GLN 44 H GLN 44 1.970 -0.377 -0.090
15 HA GLN 44 HA GLN 44 1.492 -2.623 -1.836
16 1HB GLN 44 2HB GLN 44 3.939 -2.772 -1.976
17 2HB GLN 44 3HB GLN 44 3.422 -1.125 -2.276
18 1HG GLN 44 2HG GLN 44 4.066 -0.412 -0.054
19 2HG GLN 44 3HG GLN 44 4.256 -2.064 0.501
20 1HE2 GLN 44 1HE2 GLN 44 6.104 -3.157 0.156
21 2HE2 GLN 44 2HE2 GLN 44 7.520 -2.510 -0.603
22 H ILE 45 H ILE 45 1.067 -2.083 1.372
23 HA ILE 45 HA ILE 45 2.302 -4.593 2.221
24 HB ILE 45 HB ILE 45 2.314 -2.142 3.385
25 1HG1 ILE 45 2HG1 ILE 45 3.139 -3.287 5.385
26 2HG1 ILE 45 3HG1 ILE 45 2.451 -4.802 4.836
27 1HG2 ILE 45 1HG2 ILE 45 0.282 -3.658 5.017
28 2HG2 ILE 45 2HG2 ILE 45 0.799 -1.960 5.155
29 3HG2 ILE 45 3HG2 ILE 45 -0.203 -2.477 3.777
30 1HD1 ILE 45 1HD1 ILE 45 4.104 -5.154 3.278
31 2HD1 ILE 45 2HD1 ILE 45 4.226 -3.427 2.866
32 3HD1 ILE 45 3HD1 ILE 45 5.024 -4.051 4.329
33 H LYS 46 H LYS 46 -0.222 -4.073 0.468
34 HA LYS 46 HA LYS 46 -1.881 -5.927 1.993
35 1HB LYS 46 2HB LYS 46 -3.893 -4.692 1.600
36 2HB LYS 46 3HB LYS 46 -2.748 -3.628 2.391
37 1HG LYS 46 2HG LYS 46 -2.619 -2.222 0.592
38 2HG LYS 46 3HG LYS 46 -2.516 -3.543 -0.555
39 1HD LYS 46 2HD LYS 46 -4.916 -3.839 -0.588
40 2HD LYS 46 3HD LYS 46 -5.134 -2.827 0.826
41 1HE LYS 46 2HE LYS 46 -5.599 -1.189 -0.713
42 2HE LYS 46 3HE LYS 46 -3.855 -1.047 -0.819
43 1HZ LYS 46 1HZ LYS 46 -3.925 -1.806 -2.871
44 2HZ LYS 46 2HZ LYS 46 -4.783 -3.132 -2.460
45 3HZ LYS 46 3HZ LYS 46 -5.556 -1.742 -2.828
46 H ILE 47 H ILE 47 0.083 -5.698 -0.467
47 HA ILE 47 HA ILE 47 -1.786 -6.897 -2.390
48 HB ILE 47 HB ILE 47 -0.813 -5.791 -4.048
49 1HG1 ILE 47 2HG1 ILE 47 1.212 -7.208 -3.882
50 2HG1 ILE 47 3HG1 ILE 47 1.548 -5.581 -4.436
51 1HG2 ILE 47 1HG2 ILE 47 0.291 -3.644 -3.398
52 2HG2 ILE 47 2HG2 ILE 47 -1.256 -3.957 -2.577
53 3HG2 ILE 47 3HG2 ILE 47 0.278 -4.207 -1.710
54 1HD1 ILE 47 1HD1 ILE 47 2.978 -5.252 -2.714
55 2HD1 ILE 47 2HD1 ILE 47 1.686 -5.612 -1.543
56 3HD1 ILE 47 3HD1 ILE 47 2.689 -6.931 -2.193
57 H TRP 48 H TRP 48 1.226 -7.208 -0.521
58 HA TRP 48 HA TRP 48 1.921 -9.685 -1.819
59 1HB TRP 48 2HB TRP 48 3.327 -7.733 -0.476
60 2HB TRP 48 3HB TRP 48 3.254 -9.026 0.704
61 HD1 TRP 48 HD1 TRP 48 5.238 -7.976 -2.256
62 HE1 TRP 48 HE1 TRP 48 6.908 -9.832 -3.108
63 HE3 TRP 48 HE3 TRP 48 3.206 -11.782 0.436
64 HZ2 TRP 48 HZ2 TRP 48 7.187 -12.622 -2.573
65 HZ3 TRP 48 HZ3 TRP 48 4.237 -14.040 0.214
66 HH2 TRP 48 HH2 TRP 48 6.159 -14.491 -1.226
67 H PHE 49 H PHE 49 0.289 -8.468 1.126
68 HA PHE 49 HA PHE 49 0.252 -10.904 2.510
69 1HB PHE 49 2HB PHE 49 -1.338 -8.299 2.433
70 2HB PHE 49 3HB PHE 49 -1.910 -9.597 3.462
71 HD1 PHE 49 HD1 PHE 49 1.566 -8.448 2.746
72 HD2 PHE 49 HD2 PHE 49 -1.498 -8.931 5.641
73 HE1 PHE 49 HE1 PHE 49 3.153 -7.717 4.548
74 HE2 PHE 49 HE2 PHE 49 0.088 -8.202 7.443
75 HZ PHE 49 HZ PHE 49 2.395 -7.604 6.876
76 H GLN 50 H GLN 50 -1.716 -9.575 -0.132
77 HA GLN 50 HA GLN 50 -3.861 -11.367 0.290
78 1HB GLN 50 2HB GLN 50 -4.840 -10.370 -1.611
79 2HB GLN 50 3HB GLN 50 -3.865 -9.078 -0.938
80 1HG GLN 50 2HG GLN 50 -2.968 -8.904 -3.029
81 2HG GLN 50 3HG GLN 50 -2.030 -10.320 -2.598
82 1HE2 GLN 50 1HE2 GLN 50 -2.695 -9.679 -5.203
83 2HE2 GLN 50 2HE2 GLN 50 -3.771 -10.867 -5.860
84 H ASN 51 H ASN 51 -0.709 -11.545 -1.212
85 HA ASN 51 HA ASN 51 -1.423 -13.651 -2.983
86 1HB ASN 51 2HB ASN 51 1.086 -12.178 -2.203
87 2HB ASN 51 3HB ASN 51 1.306 -13.791 -2.853
88 1HD2 ASN 51 1HD2 ASN 51 1.405 -10.721 -3.688
89 2HD2 ASN 51 2HD2 ASN 51 0.853 -10.749 -5.330
90 H ARG 52 H ARG 52 0.328 -13.213 0.162
91 HA ARG 52 HA ARG 52 1.130 -15.827 0.456
92 1HB ARG 52 2HB ARG 52 1.760 -13.694 1.825
93 2HB ARG 52 3HB ARG 52 0.322 -14.016 2.773
94 1HG ARG 52 2HG ARG 52 1.241 -16.390 3.154
95 2HG ARG 52 3HG ARG 52 2.739 -15.844 2.426
96 1HD ARG 52 2HD ARG 52 1.773 -13.979 4.503
97 2HD ARG 52 3HD ARG 52 2.028 -15.593 5.134
98 HE ARG 52 HE ARG 52 4.232 -14.668 3.443
99 1HH1 ARG 52 2HH2 ARG 52 2.913 -14.665 6.704
100 2HH1 ARG 52 1HH2 ARG 52 4.445 -14.374 7.461
101 1HH2 ARG 52 2HH1 ARG 52 6.252 -14.284 4.438
102 2HH2 ARG 52 1HH1 ARG 52 6.356 -14.156 6.163
103 H ARG 53 H ARG 53 -2.019 -14.324 0.731
104 HA ARG 53 HA ARG 53 -3.228 -15.847 2.620
105 1HB ARG 53 2HB ARG 53 -4.018 -13.986 0.659
106 2HB ARG 53 3HB ARG 53 -4.938 -15.418 0.247
107 1HG ARG 53 2HG ARG 53 -5.853 -15.554 2.530
108 2HG ARG 53 3HG ARG 53 -4.827 -14.236 3.060
109 1HD ARG 53 2HD ARG 53 -6.287 -12.671 2.280
110 2HD ARG 53 3HD ARG 53 -6.369 -13.433 0.705
111 HE ARG 53 HE ARG 53 -8.273 -13.752 2.882
112 1HH1 ARG 53 2HH2 ARG 53 -6.892 -15.364 0.076
113 2HH1 ARG 53 1HH2 ARG 53 -8.262 -16.394 -0.167
114 1HH2 ARG 53 2HH1 ARG 53 -10.082 -15.112 2.562
115 2HH2 ARG 53 1HH1 ARG 53 -10.089 -16.250 1.256
116 H MET 54 H MET 54 -1.973 -16.783 -0.498
117 HA MET 54 HA MET 54 -3.693 -19.061 -0.737
118 1HB MET 54 2HB MET 54 -2.685 -17.681 -2.677
119 2HB MET 54 3HB MET 54 -1.128 -18.377 -2.274
120 1HG MET 54 2HG MET 54 -2.569 -20.677 -2.435
121 2HG MET 54 3HG MET 54 -3.534 -19.689 -3.515
122 1HE MET 54 1HE MET 54 -1.966 -20.292 -6.642
123 2HE MET 54 2HE MET 54 -3.369 -19.992 -5.588
124 3HE MET 54 3HE MET 54 -2.299 -18.646 -6.050
125 H LYS 55 H LYS 55 -0.688 -18.232 0.819
126 HA LYS 55 HA LYS 55 0.737 -20.574 0.675
127 1HB LYS 55 2HB LYS 55 1.636 -18.540 1.630
128 2HB LYS 55 3HB LYS 55 0.471 -18.575 2.937
129 1HG LYS 55 2HG LYS 55 1.530 -21.047 3.287
130 2HG LYS 55 3HG LYS 55 2.906 -20.287 2.514
131 1HD LYS 55 2HD LYS 55 2.703 -18.388 4.222
132 2HD LYS 55 3HD LYS 55 1.491 -19.346 5.050
133 1HE LYS 55 2HE LYS 55 3.555 -21.189 4.720
134 2HE LYS 55 3HE LYS 55 4.439 -19.697 4.964
135 1HZ LYS 55 1HZ LYS 55 4.054 -20.396 7.081
136 2HZ LYS 55 2HZ LYS 55 2.773 -19.402 6.884
137 3HZ LYS 55 3HZ LYS 55 2.578 -21.019 6.765
138 H TRP 56 H TRP 56 -1.929 -19.663 2.947
139 HA TRP 56 HA TRP 56 -1.901 -21.857 4.564
140 1HB TRP 56 2HB TRP 56 -3.910 -19.889 3.683
141 2HB TRP 56 3HB TRP 56 -4.573 -21.397 4.279
142 HD1 TRP 56 HD1 TRP 56 -3.619 -18.138 5.589
143 HE1 TRP 56 HE1 TRP 56 -3.193 -18.087 8.193
144 HE3 TRP 56 HE3 TRP 56 -3.266 -23.178 6.159
145 HZ2 TRP 56 HZ2 TRP 56 -2.766 -20.117 10.154
146 HZ3 TRP 56 HZ3 TRP 56 -2.844 -24.062 8.451
147 HH2 TRP 56 HH2 TRP 56 -2.596 -22.620 10.409
148 H LYS 57 H LYS 57 -3.508 -21.434 1.336
149 HA LYS 57 HA LYS 57 -4.762 -23.831 1.124
150 1HB LYS 57 2HB LYS 57 -4.030 -21.700 -0.587
151 2HB LYS 57 3HB LYS 57 -3.504 -23.165 -1.389
152 1HG LYS 57 2HG LYS 57 -6.238 -23.190 -0.127
153 2HG LYS 57 3HG LYS 57 -6.037 -22.244 -1.589
154 1HD LYS 57 2HD LYS 57 -6.592 -24.321 -2.503
155 2HD LYS 57 3HD LYS 57 -4.843 -24.424 -2.518
156 1HE LYS 57 2HE LYS 57 -5.134 -25.460 -0.097
157 2HE LYS 57 3HE LYS 57 -6.791 -25.734 -0.597
158 1HZ LYS 57 1HZ LYS 57 -5.082 -26.538 -2.645
159 2HZ LYS 57 2HZ LYS 57 -4.575 -27.227 -1.254
160 3HZ LYS 57 3HZ LYS 57 -6.110 -27.451 -1.763
161 H LYS 58 H LYS 58 -4.021 -25.821 1.630
162 HA LYS 58 HA LYS 58 -1.248 -26.423 0.888
163 1HB LYS 58 2HB LYS 58 -2.968 -27.132 3.197
164 2HB LYS 58 3HB LYS 58 -1.974 -28.433 2.573
165 1HG LYS 58 2HG LYS 58 -0.057 -27.495 3.373
166 2HG LYS 58 3HG LYS 58 -0.458 -25.920 2.718
167 1HD LYS 58 2HD LYS 58 -0.472 -25.513 5.039
168 2HD LYS 58 3HD LYS 58 -2.173 -25.757 4.695
169 1HE LYS 58 2HE LYS 58 -1.579 -28.320 5.212
170 2HE LYS 58 3HE LYS 58 -0.230 -27.615 6.080
171 1HZ LYS 58 1HZ LYS 58 -1.611 -27.123 7.699
172 2HZ LYS 58 2HZ LYS 58 -2.518 -26.183 6.721
173 3HZ LYS 58 3HZ LYS 58 -2.871 -27.769 6.885
Start of MODEL 11
1 H ARG 43 H ARG 43 -3.384 -1.468 -2.081
2 HA ARG 43 HA ARG 43 -1.841 -0.118 -3.179
3 1HB ARG 43 2HB ARG 43 -1.910 -0.162 -0.206
4 2HB ARG 43 3HB ARG 43 -0.524 0.691 -0.855
5 1HG ARG 43 2HG ARG 43 -3.052 1.342 -2.259
6 2HG ARG 43 3HG ARG 43 -3.085 1.754 -0.556
7 1HD ARG 43 2HD ARG 43 -0.521 2.535 -1.724
8 2HD ARG 43 3HD ARG 43 -1.838 3.217 -2.657
9 HE ARG 43 HE ARG 43 -1.151 3.851 0.134
10 1HH1 ARG 43 2HH2 ARG 43 -3.606 4.032 -2.380
11 2HH1 ARG 43 1HH2 ARG 43 -4.452 5.348 -1.637
12 1HH2 ARG 43 2HH1 ARG 43 -2.267 5.588 1.114
13 2HH2 ARG 43 1HH1 ARG 43 -3.686 6.239 0.364
14 H GLN 44 H GLN 44 -0.281 -2.388 -0.824
15 HA GLN 44 HA GLN 44 1.664 -3.223 -2.521
16 1HB GLN 44 2HB GLN 44 2.247 -0.583 -1.857
17 2HB GLN 44 3HB GLN 44 3.218 -1.478 -0.705
18 1HG GLN 44 2HG GLN 44 4.720 -1.989 -2.322
19 2HG GLN 44 3HG GLN 44 3.475 -2.794 -3.256
20 1HE2 GLN 44 1HE2 GLN 44 4.267 -2.100 -5.204
21 2HE2 GLN 44 2HE2 GLN 44 4.145 -0.469 -5.773
22 H ILE 45 H ILE 45 0.694 -2.332 0.792
23 HA ILE 45 HA ILE 45 2.254 -4.562 1.848
24 HB ILE 45 HB ILE 45 1.907 -2.032 2.764
25 1HG1 ILE 45 2HG1 ILE 45 2.740 -2.982 4.969
26 2HG1 ILE 45 3HG1 ILE 45 2.554 -4.578 4.270
27 1HG2 ILE 45 1HG2 ILE 45 -0.546 -2.823 3.243
28 2HG2 ILE 45 2HG2 ILE 45 0.196 -3.590 4.668
29 3HG2 ILE 45 3HG2 ILE 45 0.336 -1.831 4.430
30 1HD1 ILE 45 1HD1 ILE 45 4.870 -3.781 3.975
31 2HD1 ILE 45 2HD1 ILE 45 4.072 -3.933 2.391
32 3HD1 ILE 45 3HD1 ILE 45 4.279 -2.328 3.132
33 H LYS 46 H LYS 46 -0.723 -4.011 0.416
34 HA LYS 46 HA LYS 46 -1.982 -6.085 2.074
35 1HB LYS 46 2HB LYS 46 -3.399 -4.293 2.343
36 2HB LYS 46 3HB LYS 46 -3.055 -3.622 0.761
37 1HG LYS 46 2HG LYS 46 -4.333 -5.462 -0.322
38 2HG LYS 46 3HG LYS 46 -4.634 -6.195 1.241
39 1HD LYS 46 2HD LYS 46 -5.698 -3.888 1.891
40 2HD LYS 46 3HD LYS 46 -5.705 -3.558 0.170
41 1HE LYS 46 2HE LYS 46 -7.606 -4.773 -0.053
42 2HE LYS 46 3HE LYS 46 -6.755 -6.205 0.486
43 1HZ LYS 46 1HZ LYS 46 -7.288 -5.694 2.715
44 2HZ LYS 46 2HZ LYS 46 -7.888 -4.224 2.331
45 3HZ LYS 46 3HZ LYS 46 -8.675 -5.575 1.860
46 H ILE 47 H ILE 47 -0.459 -5.355 -0.894
47 HA ILE 47 HA ILE 47 -2.029 -7.266 -2.407
48 HB ILE 47 HB ILE 47 -1.249 -6.251 -4.220
49 1HG1 ILE 47 2HG1 ILE 47 0.934 -7.311 -4.086
50 2HG1 ILE 47 3HG1 ILE 47 1.089 -5.656 -4.637
51 1HG2 ILE 47 1HG2 ILE 47 -0.080 -4.163 -2.376
52 2HG2 ILE 47 2HG2 ILE 47 -0.829 -3.942 -3.975
53 3HG2 ILE 47 3HG2 ILE 47 -1.831 -4.402 -2.578
54 1HD1 ILE 47 1HD1 ILE 47 2.482 -6.811 -2.504
55 2HD1 ILE 47 2HD1 ILE 47 2.352 -5.069 -2.841
56 3HD1 ILE 47 3HD1 ILE 47 1.223 -5.841 -1.702
57 H TRP 48 H TRP 48 0.755 -7.141 -0.329
58 HA TRP 48 HA TRP 48 1.920 -9.528 -1.502
59 1HB TRP 48 2HB TRP 48 2.965 -7.325 -0.197
60 2HB TRP 48 3HB TRP 48 3.022 -8.576 1.030
61 HD1 TRP 48 HD1 TRP 48 4.971 -7.352 -1.886
62 HE1 TRP 48 HE1 TRP 48 6.927 -8.977 -2.591
63 HE3 TRP 48 HE3 TRP 48 3.378 -11.316 0.872
64 HZ2 TRP 48 HZ2 TRP 48 7.573 -11.678 -1.933
65 HZ3 TRP 48 HZ3 TRP 48 4.728 -13.410 0.785
66 HH2 TRP 48 HH2 TRP 48 6.761 -13.628 -0.555
67 H PHE 49 H PHE 49 -0.059 -8.381 1.243
68 HA PHE 49 HA PHE 49 0.158 -10.703 2.801
69 1HB PHE 49 2HB PHE 49 -1.798 -8.382 2.441
70 2HB PHE 49 3HB PHE 49 -2.207 -9.671 3.556
71 HD1 PHE 49 HD1 PHE 49 -2.014 -8.774 5.682
72 HD2 PHE 49 HD2 PHE 49 1.078 -8.040 2.870
73 HE1 PHE 49 HE1 PHE 49 -0.652 -7.658 7.470
74 HE2 PHE 49 HE2 PHE 49 2.440 -6.924 4.658
75 HZ PHE 49 HZ PHE 49 1.559 -6.747 6.937
76 H GLN 50 H GLN 50 -1.762 -9.861 -0.058
77 HA GLN 50 HA GLN 50 -3.658 -11.926 0.377
78 1HB GLN 50 2HB GLN 50 -4.284 -9.931 -0.889
79 2HB GLN 50 3HB GLN 50 -3.006 -10.209 -2.054
80 1HG GLN 50 2HG GLN 50 -4.319 -12.622 -2.187
81 2HG GLN 50 3HG GLN 50 -5.655 -11.563 -1.784
82 1HE2 GLN 50 1HE2 GLN 50 -3.043 -12.185 -4.046
83 2HE2 GLN 50 2HE2 GLN 50 -3.687 -11.324 -5.403
84 H ASN 51 H ASN 51 -0.565 -11.530 -1.367
85 HA ASN 51 HA ASN 51 -0.772 -13.770 -2.969
86 1HB ASN 51 2HB ASN 51 1.438 -12.028 -1.920
87 2HB ASN 51 3HB ASN 51 1.934 -13.611 -2.486
88 1HD2 ASN 51 1HD2 ASN 51 2.464 -13.745 -4.519
89 2HD2 ASN 51 2HD2 ASN 51 1.894 -12.761 -5.826
90 H ARG 52 H ARG 52 0.340 -13.226 0.416
91 HA ARG 52 HA ARG 52 1.327 -15.856 0.701
92 1HB ARG 52 2HB ARG 52 1.795 -13.560 2.051
93 2HB ARG 52 3HB ARG 52 0.530 -14.187 3.089
94 1HG ARG 52 2HG ARG 52 1.884 -15.811 3.955
95 2HG ARG 52 3HG ARG 52 2.505 -16.260 2.380
96 1HD ARG 52 2HD ARG 52 3.895 -14.051 2.493
97 2HD ARG 52 3HD ARG 52 3.475 -14.014 4.195
98 HE ARG 52 HE ARG 52 4.511 -16.617 3.424
99 1HH1 ARG 52 2HH2 ARG 52 5.477 -13.338 4.260
100 2HH1 ARG 52 1HH2 ARG 52 7.051 -13.807 4.814
101 1HH2 ARG 52 2HH1 ARG 52 6.586 -17.236 4.155
102 2HH2 ARG 52 1HH1 ARG 52 7.685 -16.039 4.753
103 H ARG 53 H ARG 53 -1.794 -14.283 0.918
104 HA ARG 53 HA ARG 53 -2.948 -16.017 2.781
105 1HB ARG 53 2HB ARG 53 -3.728 -13.728 1.244
106 2HB ARG 53 3HB ARG 53 -4.890 -14.983 0.864
107 1HG ARG 53 2HG ARG 53 -4.528 -15.171 3.669
108 2HG ARG 53 3HG ARG 53 -4.564 -13.450 3.344
109 1HD ARG 53 2HD ARG 53 -6.636 -14.944 1.840
110 2HD ARG 53 3HD ARG 53 -6.804 -15.111 3.576
111 HE ARG 53 HE ARG 53 -7.291 -12.806 3.755
112 1HH1 ARG 53 2HH2 ARG 53 -6.189 -13.573 0.502
113 2HH1 ARG 53 1HH2 ARG 53 -6.652 -12.039 -0.154
114 1HH2 ARG 53 2HH1 ARG 53 -7.902 -10.781 2.889
115 2HH2 ARG 53 1HH1 ARG 53 -7.632 -10.440 1.212
116 H MET 54 H MET 54 -2.086 -16.295 -0.592
117 HA MET 54 HA MET 54 -4.071 -18.177 -1.287
118 1HB MET 54 2HB MET 54 -1.662 -16.898 -2.477
119 2HB MET 54 3HB MET 54 -1.884 -18.550 -3.022
120 1HG MET 54 2HG MET 54 -3.752 -18.028 -4.251
121 2HG MET 54 3HG MET 54 -4.405 -16.987 -3.001
122 1HE MET 54 1HE MET 54 -4.101 -15.178 -6.458
123 2HE MET 54 2HE MET 54 -5.012 -16.371 -5.502
124 3HE MET 54 3HE MET 54 -4.978 -14.664 -4.997
125 H LYS 55 H LYS 55 -1.067 -18.311 0.487
126 HA LYS 55 HA LYS 55 -1.134 -21.242 0.285
127 1HB LYS 55 2HB LYS 55 1.130 -19.313 0.144
128 2HB LYS 55 3HB LYS 55 1.404 -20.778 1.061
129 1HG LYS 55 2HG LYS 55 1.401 -22.102 -0.808
130 2HG LYS 55 3HG LYS 55 0.016 -21.283 -1.503
131 1HD LYS 55 2HD LYS 55 2.233 -19.433 -1.523
132 2HD LYS 55 3HD LYS 55 2.804 -20.958 -2.169
133 1HE LYS 55 2HE LYS 55 0.727 -20.975 -3.685
134 2HE LYS 55 3HE LYS 55 0.412 -19.336 -3.149
135 1HZ LYS 55 1HZ LYS 55 2.916 -19.088 -3.836
136 2HZ LYS 55 2HZ LYS 55 2.535 -20.319 -4.838
137 3HZ LYS 55 3HZ LYS 55 1.706 -18.915 -4.919
138 H TRP 56 H TRP 56 -2.922 -20.367 2.004
139 HA TRP 56 HA TRP 56 -1.819 -21.119 4.525
140 1HB TRP 56 2HB TRP 56 -1.837 -18.349 3.925
141 2HB TRP 56 3HB TRP 56 -3.137 -18.631 5.065
142 HD1 TRP 56 HD1 TRP 56 0.060 -20.765 5.312
143 HE1 TRP 56 HE1 TRP 56 1.395 -20.238 7.527
144 HE3 TRP 56 HE3 TRP 56 -2.778 -16.779 6.697
145 HZ2 TRP 56 HZ2 TRP 56 1.120 -18.257 9.564
146 HZ3 TRP 56 HZ3 TRP 56 -2.177 -15.605 8.812
147 HH2 TRP 56 HH2 TRP 56 -0.303 -16.284 10.228
148 H LYS 57 H LYS 57 -4.513 -19.523 2.700
149 HA LYS 57 HA LYS 57 -6.579 -20.285 4.363
150 1HB LYS 57 2HB LYS 57 -6.443 -18.730 2.235
151 2HB LYS 57 3HB LYS 57 -6.944 -20.179 1.385
152 1HG LYS 57 2HG LYS 57 -8.515 -19.759 3.843
153 2HG LYS 57 3HG LYS 57 -8.624 -18.385 2.760
154 1HD LYS 57 2HD LYS 57 -8.878 -20.537 1.005
155 2HD LYS 57 3HD LYS 57 -9.696 -21.131 2.436
156 1HE LYS 57 2HE LYS 57 -10.527 -18.406 2.081
157 2HE LYS 57 3HE LYS 57 -10.617 -19.168 0.506
158 1HZ LYS 57 1HZ LYS 57 -12.092 -20.733 1.287
159 2HZ LYS 57 2HZ LYS 57 -11.701 -20.517 2.858
160 3HZ LYS 57 3HZ LYS 57 -12.580 -19.387 2.072
161 H LYS 58 H LYS 58 -8.257 -21.986 4.004
162 HA LYS 58 HA LYS 58 -6.923 -24.504 3.609
163 1HB LYS 58 2HB LYS 58 -8.854 -25.477 4.590
164 2HB LYS 58 3HB LYS 58 -8.503 -24.021 5.499
165 1HG LYS 58 2HG LYS 58 -10.188 -23.068 3.491
166 2HG LYS 58 3HG LYS 58 -10.847 -24.661 3.803
167 1HD LYS 58 2HD LYS 58 -10.224 -23.435 6.348
168 2HD LYS 58 3HD LYS 58 -11.130 -22.278 5.394
169 1HE LYS 58 2HE LYS 58 -12.774 -24.233 4.885
170 2HE LYS 58 3HE LYS 58 -11.963 -25.102 6.172
171 1HZ LYS 58 1HZ LYS 58 -13.947 -23.271 6.462
172 2HZ LYS 58 2HZ LYS 58 -13.031 -23.900 7.659
173 3HZ LYS 58 3HZ LYS 58 -12.613 -22.479 6.972
Start of MODEL 12
1 H ARG 43 H ARG 43 2.995 0.614 0.077
2 HA ARG 43 HA ARG 43 0.866 0.477 -0.753
3 1HB ARG 43 2HB ARG 43 1.696 2.354 -2.568
4 2HB ARG 43 3HB ARG 43 1.652 0.948 -3.613
5 1HG ARG 43 2HG ARG 43 -0.727 1.180 -1.855
6 2HG ARG 43 3HG ARG 43 -0.540 2.533 -2.953
7 1HD ARG 43 2HD ARG 43 -0.026 -0.020 -4.319
8 2HD ARG 43 3HD ARG 43 -1.614 -0.007 -3.578
9 HE ARG 43 HE ARG 43 -0.756 1.589 -5.855
10 1HH1 ARG 43 2HH2 ARG 43 -2.961 1.532 -3.113
11 2HH1 ARG 43 1HH2 ARG 43 -4.101 2.612 -3.845
12 1HH2 ARG 43 2HH1 ARG 43 -2.259 3.014 -6.820
13 2HH2 ARG 43 1HH1 ARG 43 -3.699 3.460 -5.966
14 H GLN 44 H GLN 44 2.626 -1.516 -0.168
15 HA GLN 44 HA GLN 44 2.029 -3.419 -2.241
16 1HB GLN 44 2HB GLN 44 4.804 -2.535 -1.523
17 2HB GLN 44 3HB GLN 44 4.565 -4.255 -1.757
18 1HG GLN 44 2HG GLN 44 3.178 -3.170 -3.920
19 2HG GLN 44 3HG GLN 44 4.521 -2.059 -3.749
20 1HE2 GLN 44 1HE2 GLN 44 6.663 -3.276 -3.175
21 2HE2 GLN 44 2HE2 GLN 44 7.071 -4.597 -4.219
22 H ILE 45 H ILE 45 1.348 -2.644 0.671
23 HA ILE 45 HA ILE 45 2.230 -5.101 1.992
24 HB ILE 45 HB ILE 45 2.251 -2.529 2.864
25 1HG1 ILE 45 2HG1 ILE 45 2.661 -3.470 5.085
26 2HG1 ILE 45 3HG1 ILE 45 1.951 -4.997 4.601
27 1HG2 ILE 45 1HG2 ILE 45 -0.350 -2.771 2.870
28 2HG2 ILE 45 2HG2 ILE 45 -0.072 -3.672 4.380
29 3HG2 ILE 45 3HG2 ILE 45 0.480 -1.986 4.236
30 1HD1 ILE 45 1HD1 ILE 45 3.920 -5.673 3.716
31 2HD1 ILE 45 2HD1 ILE 45 3.956 -4.251 2.645
32 3HD1 ILE 45 3HD1 ILE 45 4.660 -4.154 4.278
33 H LYS 46 H LYS 46 -0.388 -3.691 0.254
34 HA LYS 46 HA LYS 46 -2.295 -5.496 1.550
35 1HB LYS 46 2HB LYS 46 -4.028 -4.140 0.589
36 2HB LYS 46 3HB LYS 46 -2.890 -3.094 1.416
37 1HG LYS 46 2HG LYS 46 -1.772 -3.127 -1.092
38 2HG LYS 46 3HG LYS 46 -3.460 -3.345 -1.510
39 1HD LYS 46 2HD LYS 46 -3.283 -1.294 0.529
40 2HD LYS 46 3HD LYS 46 -2.126 -0.919 -0.732
41 1HE LYS 46 2HE LYS 46 -3.975 -1.241 -2.447
42 2HE LYS 46 3HE LYS 46 -5.108 -1.460 -1.129
43 1HZ LYS 46 1HZ LYS 46 -3.410 0.913 -1.223
44 2HZ LYS 46 2HZ LYS 46 -4.791 0.851 -2.094
45 3HZ LYS 46 3HZ LYS 46 -4.843 0.712 -0.468
46 H ILE 47 H ILE 47 -0.001 -5.618 -0.804
47 HA ILE 47 HA ILE 47 -1.716 -7.199 -2.589
48 HB ILE 47 HB ILE 47 -0.659 -6.360 -4.348
49 1HG1 ILE 47 2HG1 ILE 47 1.377 -7.671 -3.820
50 2HG1 ILE 47 3HG1 ILE 47 1.717 -6.151 -4.626
51 1HG2 ILE 47 1HG2 ILE 47 0.338 -4.102 -4.023
52 2HG2 ILE 47 2HG2 ILE 47 -1.231 -4.321 -3.212
53 3HG2 ILE 47 3HG2 ILE 47 0.276 -4.371 -2.265
54 1HD1 ILE 47 1HD1 ILE 47 3.037 -6.932 -2.402
55 2HD1 ILE 47 2HD1 ILE 47 2.727 -5.217 -2.765
56 3HD1 ILE 47 3HD1 ILE 47 1.675 -6.091 -1.625
57 H TRP 48 H TRP 48 0.865 -7.208 -0.248
58 HA TRP 48 HA TRP 48 1.854 -9.785 -1.156
59 1HB TRP 48 2HB TRP 48 2.902 -7.580 0.339
60 2HB TRP 48 3HB TRP 48 2.973 -9.018 1.337
61 HD1 TRP 48 HD1 TRP 48 5.352 -7.348 -0.571
62 HE1 TRP 48 HE1 TRP 48 7.115 -8.825 -1.865
63 HE3 TRP 48 HE3 TRP 48 2.665 -11.661 -0.380
64 HZ2 TRP 48 HZ2 TRP 48 7.187 -11.570 -2.645
65 HZ3 TRP 48 HZ3 TRP 48 3.653 -13.693 -1.432
66 HH2 TRP 48 HH2 TRP 48 5.834 -13.694 -2.536
67 H PHE 49 H PHE 49 -0.238 -8.236 1.281
68 HA PHE 49 HA PHE 49 -0.397 -10.481 2.987
69 1HB PHE 49 2HB PHE 49 -1.958 -7.917 2.420
70 2HB PHE 49 3HB PHE 49 -2.631 -9.083 3.542
71 HD1 PHE 49 HD1 PHE 49 0.990 -8.545 3.265
72 HD2 PHE 49 HD2 PHE 49 -2.535 -7.588 5.424
73 HE1 PHE 49 HE1 PHE 49 2.385 -7.574 5.111
74 HE2 PHE 49 HE2 PHE 49 -1.141 -6.617 7.272
75 HZ PHE 49 HZ PHE 49 1.304 -6.622 7.093
76 H GLN 50 H GLN 50 -1.833 -9.662 -0.098
77 HA GLN 50 HA GLN 50 -3.953 -11.588 0.348
78 1HB GLN 50 2HB GLN 50 -4.992 -10.683 -1.647
79 2HB GLN 50 3HB GLN 50 -4.492 -9.338 -0.641
80 1HG GLN 50 2HG GLN 50 -3.229 -8.523 -2.335
81 2HG GLN 50 3HG GLN 50 -2.262 -9.984 -2.332
82 1HE2 GLN 50 1HE2 GLN 50 -2.010 -10.001 -4.534
83 2HE2 GLN 50 2HE2 GLN 50 -3.274 -10.412 -5.646
84 H ASN 51 H ASN 51 -0.773 -11.697 -0.465
85 HA ASN 51 HA ASN 51 -1.211 -13.644 -2.585
86 1HB ASN 51 2HB ASN 51 1.115 -11.846 -1.829
87 2HB ASN 51 3HB ASN 51 1.455 -13.337 -2.685
88 1HD2 ASN 51 1HD2 ASN 51 2.075 -12.486 -4.587
89 2HD2 ASN 51 2HD2 ASN 51 1.049 -11.608 -5.670
90 H ARG 52 H ARG 52 0.328 -12.927 0.590
91 HA ARG 52 HA ARG 52 1.594 -15.428 0.789
92 1HB ARG 52 2HB ARG 52 1.770 -13.017 2.137
93 2HB ARG 52 3HB ARG 52 0.907 -13.986 3.315
94 1HG ARG 52 2HG ARG 52 3.304 -15.232 1.983
95 2HG ARG 52 3HG ARG 52 3.603 -13.974 3.166
96 1HD ARG 52 2HD ARG 52 2.591 -15.210 4.933
97 2HD ARG 52 3HD ARG 52 1.700 -16.244 3.832
98 HE ARG 52 HE ARG 52 4.630 -16.452 3.600
99 1HH1 ARG 52 2HH2 ARG 52 1.719 -17.717 5.118
100 2HH1 ARG 52 1HH2 ARG 52 2.432 -19.247 5.506
101 1HH2 ARG 52 2HH1 ARG 52 5.572 -18.470 4.113
102 2HH2 ARG 52 1HH1 ARG 52 4.639 -19.678 4.931
103 H ARG 53 H ARG 53 -1.653 -14.231 1.326
104 HA ARG 53 HA ARG 53 -2.294 -16.357 3.138
105 1HB ARG 53 2HB ARG 53 -3.750 -13.965 1.992
106 2HB ARG 53 3HB ARG 53 -4.709 -15.280 2.644
107 1HG ARG 53 2HG ARG 53 -3.655 -15.080 4.829
108 2HG ARG 53 3HG ARG 53 -2.435 -13.984 4.210
109 1HD ARG 53 2HD ARG 53 -3.785 -12.230 4.712
110 2HD ARG 53 3HD ARG 53 -4.951 -12.807 3.538
111 HE ARG 53 HE ARG 53 -5.233 -14.351 5.935
112 1HH1 ARG 53 2HH2 ARG 53 -5.816 -11.097 4.729
113 2HH1 ARG 53 1HH2 ARG 53 -7.119 -10.785 5.828
114 1HH2 ARG 53 2HH1 ARG 53 -6.952 -13.941 7.384
115 2HH2 ARG 53 1HH1 ARG 53 -7.770 -12.414 7.348
116 H MET 54 H MET 54 -1.376 -17.624 0.945
117 HA MET 54 HA MET 54 -3.807 -18.686 -0.202
118 1HB MET 54 2HB MET 54 -1.912 -16.998 -1.618
119 2HB MET 54 3HB MET 54 -1.779 -18.617 -2.276
120 1HG MET 54 2HG MET 54 -4.286 -18.663 -2.588
121 2HG MET 54 3HG MET 54 -4.369 -17.014 -2.001
122 1HE MET 54 1HE MET 54 -3.589 -19.065 -5.517
123 2HE MET 54 2HE MET 54 -5.037 -18.762 -4.526
124 3HE MET 54 3HE MET 54 -4.731 -17.780 -5.979
125 H LYS 55 H LYS 55 -0.214 -18.874 0.133
126 HA LYS 55 HA LYS 55 0.318 -21.348 -0.752
127 1HB LYS 55 2HB LYS 55 1.648 -19.462 0.717
128 2HB LYS 55 3HB LYS 55 1.516 -20.762 1.885
129 1HG LYS 55 2HG LYS 55 3.262 -21.776 0.854
130 2HG LYS 55 3HG LYS 55 2.214 -22.070 -0.519
131 1HD LYS 55 2HD LYS 55 2.822 -19.609 -1.229
132 2HD LYS 55 3HD LYS 55 4.147 -19.766 -0.092
133 1HE LYS 55 2HE LYS 55 5.044 -21.702 -1.292
134 2HE LYS 55 3HE LYS 55 3.629 -21.787 -2.322
135 1HZ LYS 55 1HZ LYS 55 5.003 -20.602 -3.629
136 2HZ LYS 55 2HZ LYS 55 4.353 -19.340 -2.822
137 3HZ LYS 55 3HZ LYS 55 5.824 -19.909 -2.398
138 H TRP 56 H TRP 56 -0.933 -20.580 2.572
139 HA TRP 56 HA TRP 56 -1.089 -23.069 3.599
140 1HB TRP 56 2HB TRP 56 -1.780 -21.597 5.138
141 2HB TRP 56 3HB TRP 56 -2.542 -20.544 3.962
142 HD1 TRP 56 HD1 TRP 56 -5.179 -20.703 3.796
143 HE1 TRP 56 HE1 TRP 56 -7.109 -22.136 4.884
144 HE3 TRP 56 HE3 TRP 56 -2.117 -24.107 6.007
145 HZ2 TRP 56 HZ2 TRP 56 -7.137 -24.481 6.510
146 HZ3 TRP 56 HZ3 TRP 56 -3.177 -25.936 7.328
147 HH2 TRP 56 HH2 TRP 56 -5.596 -26.156 7.597
148 H LYS 57 H LYS 57 -3.480 -21.445 1.403
149 HA LYS 57 HA LYS 57 -5.213 -22.252 0.273
150 1HB LYS 57 2HB LYS 57 -4.678 -23.939 -1.319
151 2HB LYS 57 3HB LYS 57 -3.219 -23.009 -1.039
152 1HG LYS 57 2HG LYS 57 -2.170 -24.739 0.158
153 2HG LYS 57 3HG LYS 57 -3.686 -25.458 0.664
154 1HD LYS 57 2HD LYS 57 -3.352 -26.969 -1.007
155 2HD LYS 57 3HD LYS 57 -3.848 -25.693 -2.101
156 1HE LYS 57 2HE LYS 57 -1.047 -25.319 -1.406
157 2HE LYS 57 3HE LYS 57 -1.289 -26.968 -1.948
158 1HZ LYS 57 1HZ LYS 57 -0.858 -25.253 -3.697
159 2HZ LYS 57 2HZ LYS 57 -2.148 -26.220 -3.962
160 3HZ LYS 57 3HZ LYS 57 -2.369 -24.688 -3.438
161 H LYS 58 H LYS 58 -6.108 -24.948 -0.218
162 HA LYS 58 HA LYS 58 -6.627 -25.948 2.475
163 1HB LYS 58 2HB LYS 58 -8.440 -24.293 1.344
164 2HB LYS 58 3HB LYS 58 -8.975 -25.812 0.657
165 1HG LYS 58 2HG LYS 58 -9.209 -26.821 2.871
166 2HG LYS 58 3HG LYS 58 -8.439 -25.445 3.638
167 1HD LYS 58 2HD LYS 58 -10.645 -24.844 3.997
168 2HD LYS 58 3HD LYS 58 -10.426 -24.094 2.428
169 1HE LYS 58 2HE LYS 58 -11.845 -25.563 1.386
170 2HE LYS 58 3HE LYS 58 -11.199 -26.948 2.241
171 1HZ LYS 58 1HZ LYS 58 -12.620 -25.219 3.968
172 2HZ LYS 58 2HZ LYS 58 -13.561 -25.732 2.737
173 3HZ LYS 58 3HZ LYS 58 -12.823 -26.817 3.709
Start of MODEL 13
1 H ARG 43 H ARG 43 -1.948 1.382 -3.274
2 HA ARG 43 HA ARG 43 -0.266 1.621 -1.048
3 1HB ARG 43 2HB ARG 43 -1.449 -0.099 0.396
4 2HB ARG 43 3HB ARG 43 -2.299 1.430 0.285
5 1HG ARG 43 2HG ARG 43 -3.455 0.191 -1.829
6 2HG ARG 43 3HG ARG 43 -3.017 -1.236 -0.911
7 1HD ARG 43 2HD ARG 43 -5.113 -0.798 0.015
8 2HD ARG 43 3HD ARG 43 -4.105 0.105 1.128
9 HE ARG 43 HE ARG 43 -5.006 1.644 -1.216
10 1HH1 ARG 43 2HH2 ARG 43 -5.682 0.725 2.113
11 2HH1 ARG 43 1HH2 ARG 43 -6.719 2.080 2.411
12 1HH2 ARG 43 2HH1 ARG 43 -6.375 3.431 -0.822
13 2HH2 ARG 43 1HH1 ARG 43 -7.116 3.630 0.730
14 H GLN 44 H GLN 44 0.713 -0.654 -0.501
15 HA GLN 44 HA GLN 44 0.266 -2.595 -2.566
16 1HB GLN 44 2HB GLN 44 2.346 -0.698 -2.875
17 2HB GLN 44 3HB GLN 44 3.148 -2.157 -2.331
18 1HG GLN 44 2HG GLN 44 2.097 -3.466 -4.143
19 2HG GLN 44 3HG GLN 44 1.154 -2.076 -4.644
20 1HE2 GLN 44 1HE2 GLN 44 2.405 -2.955 -6.631
21 2HE2 GLN 44 2HE2 GLN 44 3.876 -2.132 -7.025
22 H ILE 45 H ILE 45 0.073 -2.158 0.468
23 HA ILE 45 HA ILE 45 1.981 -4.198 1.337
24 HB ILE 45 HB ILE 45 2.205 -2.369 2.718
25 1HG1 ILE 45 2HG1 ILE 45 1.554 -4.632 3.849
26 2HG1 ILE 45 3HG1 ILE 45 1.715 -3.177 4.813
27 1HG2 ILE 45 1HG2 ILE 45 0.583 -0.843 2.132
28 2HG2 ILE 45 2HG2 ILE 45 -0.749 -2.002 2.351
29 3HG2 ILE 45 3HG2 ILE 45 0.062 -1.300 3.771
30 1HD1 ILE 45 1HD1 ILE 45 -0.545 -3.035 5.244
31 2HD1 ILE 45 2HD1 ILE 45 -0.996 -3.661 3.641
32 3HD1 ILE 45 3HD1 ILE 45 -0.473 -4.783 4.919
33 H LYS 46 H LYS 46 -0.998 -4.059 -0.058
34 HA LYS 46 HA LYS 46 -2.040 -6.220 1.636
35 1HB LYS 46 2HB LYS 46 -4.223 -5.568 1.090
36 2HB LYS 46 3HB LYS 46 -3.382 -4.064 1.411
37 1HG LYS 46 2HG LYS 46 -3.077 -3.657 -0.998
38 2HG LYS 46 3HG LYS 46 -3.744 -5.229 -1.389
39 1HD LYS 46 2HD LYS 46 -5.823 -4.281 0.067
40 2HD LYS 46 3HD LYS 46 -5.157 -2.744 -0.446
41 1HE LYS 46 2HE LYS 46 -5.149 -4.426 -2.762
42 2HE LYS 46 3HE LYS 46 -6.704 -4.665 -1.992
43 1HZ LYS 46 1HZ LYS 46 -6.426 -2.732 -3.587
44 2HZ LYS 46 2HZ LYS 46 -7.200 -2.439 -2.179
45 3HZ LYS 46 3HZ LYS 46 -5.648 -1.968 -2.371
46 H ILE 47 H ILE 47 -0.236 -5.663 -1.091
47 HA ILE 47 HA ILE 47 -1.584 -7.608 -2.762
48 HB ILE 47 HB ILE 47 -0.473 -6.700 -4.458
49 1HG1 ILE 47 2HG1 ILE 47 1.633 -7.814 -3.770
50 2HG1 ILE 47 3HG1 ILE 47 1.887 -6.273 -4.566
51 1HG2 ILE 47 1HG2 ILE 47 0.423 -4.547 -2.539
52 2HG2 ILE 47 2HG2 ILE 47 -0.052 -4.393 -4.248
53 3HG2 ILE 47 3HG2 ILE 47 -1.278 -4.766 -3.012
54 1HD1 ILE 47 1HD1 ILE 47 2.889 -7.053 -2.048
55 2HD1 ILE 47 2HD1 ILE 47 2.926 -5.415 -2.743
56 3HD1 ILE 47 3HD1 ILE 47 1.585 -5.900 -1.679
57 H TRP 48 H TRP 48 1.107 -7.329 -0.469
58 HA TRP 48 HA TRP 48 2.185 -9.895 -1.251
59 1HB TRP 48 2HB TRP 48 3.237 -7.614 -0.096
60 2HB TRP 48 3HB TRP 48 3.132 -8.726 1.254
61 HD1 TRP 48 HD1 TRP 48 5.404 -7.879 -1.537
62 HE1 TRP 48 HE1 TRP 48 7.309 -9.662 -1.929
63 HE3 TRP 48 HE3 TRP 48 3.306 -11.520 1.324
64 HZ2 TRP 48 HZ2 TRP 48 7.715 -12.335 -1.019
65 HZ3 TRP 48 HZ3 TRP 48 4.522 -13.688 1.521
66 HH2 TRP 48 HH2 TRP 48 6.652 -14.124 0.407
67 H PHE 49 H PHE 49 0.176 -8.361 1.304
68 HA PHE 49 HA PHE 49 0.118 -10.554 3.034
69 1HB PHE 49 2HB PHE 49 -1.616 -8.128 2.380
70 2HB PHE 49 3HB PHE 49 -2.212 -9.292 3.545
71 HD1 PHE 49 HD1 PHE 49 1.318 -8.244 3.096
72 HD2 PHE 49 HD2 PHE 49 -2.161 -8.016 5.515
73 HE1 PHE 49 HE1 PHE 49 2.648 -7.118 4.901
74 HE2 PHE 49 HE2 PHE 49 -0.830 -6.889 7.322
75 HZ PHE 49 HZ PHE 49 1.558 -6.454 6.993
76 H GLN 50 H GLN 50 -1.529 -9.876 -0.015
77 HA GLN 50 HA GLN 50 -3.620 -11.734 0.487
78 1HB GLN 50 2HB GLN 50 -4.227 -10.003 -0.994
79 2HB GLN 50 3HB GLN 50 -2.717 -10.084 -1.878
80 1HG GLN 50 2HG GLN 50 -4.268 -12.615 -1.955
81 2HG GLN 50 3HG GLN 50 -5.109 -11.258 -2.677
82 1HE2 GLN 50 1HE2 GLN 50 -2.814 -13.658 -3.098
83 2HE2 GLN 50 2HE2 GLN 50 -2.080 -13.132 -4.577
84 H ASN 51 H ASN 51 -0.386 -11.747 -1.003
85 HA ASN 51 HA ASN 51 -0.672 -14.095 -2.442
86 1HB ASN 51 2HB ASN 51 1.640 -12.513 -1.304
87 2HB ASN 51 3HB ASN 51 1.980 -14.137 -1.870
88 1HD2 ASN 51 1HD2 ASN 51 2.896 -14.011 -3.769
89 2HD2 ASN 51 2HD2 ASN 51 2.376 -13.065 -5.124
90 H ARG 52 H ARG 52 0.395 -13.341 0.934
91 HA ARG 52 HA ARG 52 1.096 -15.988 1.526
92 1HB ARG 52 2HB ARG 52 0.925 -13.392 2.932
93 2HB ARG 52 3HB ARG 52 0.494 -14.733 3.975
94 1HG ARG 52 2HG ARG 52 2.772 -15.643 2.560
95 2HG ARG 52 3HG ARG 52 3.129 -13.967 2.928
96 1HD ARG 52 2HD ARG 52 2.061 -14.821 5.338
97 2HD ARG 52 3HD ARG 52 2.838 -16.288 4.776
98 HE ARG 52 HE ARG 52 4.778 -14.373 4.333
99 1HH1 ARG 52 2HH2 ARG 52 2.853 -15.255 7.144
100 2HH1 ARG 52 1HH2 ARG 52 4.062 -14.770 8.284
101 1HH2 ARG 52 2HH1 ARG 52 6.375 -13.734 5.838
102 2HH2 ARG 52 1HH1 ARG 52 6.079 -13.899 7.537
103 H ARG 53 H ARG 53 -1.917 -14.208 1.372
104 HA ARG 53 HA ARG 53 -3.293 -15.808 3.242
105 1HB ARG 53 2HB ARG 53 -3.820 -13.385 2.223
106 2HB ARG 53 3HB ARG 53 -4.698 -14.306 1.019
107 1HG ARG 53 2HG ARG 53 -5.525 -15.496 3.408
108 2HG ARG 53 3HG ARG 53 -5.362 -13.811 3.863
109 1HD ARG 53 2HD ARG 53 -6.670 -14.050 1.249
110 2HD ARG 53 3HD ARG 53 -7.522 -14.997 2.452
111 HE ARG 53 HE ARG 53 -6.802 -12.301 3.368
112 1HH1 ARG 53 2HH2 ARG 53 -9.230 -14.255 1.734
113 2HH1 ARG 53 1HH2 ARG 53 -10.523 -13.151 2.062
114 1HH2 ARG 53 2HH1 ARG 53 -8.508 -10.844 3.801
115 2HH2 ARG 53 1HH1 ARG 53 -10.110 -11.198 3.246
116 H MET 54 H MET 54 -2.346 -16.100 -0.114
117 HA MET 54 HA MET 54 -4.117 -18.410 -0.341
118 1HB MET 54 2HB MET 54 -4.302 -16.150 -1.887
119 2HB MET 54 3HB MET 54 -3.101 -17.022 -2.819
120 1HG MET 54 2HG MET 54 -5.406 -18.699 -1.963
121 2HG MET 54 3HG MET 54 -5.846 -17.384 -3.034
122 1HE MET 54 1HE MET 54 -6.356 -19.961 -4.915
123 2HE MET 54 2HE MET 54 -5.096 -21.156 -4.525
124 3HE MET 54 3HE MET 54 -6.031 -20.389 -3.219
125 H LYS 55 H LYS 55 -1.803 -18.972 0.864
126 HA LYS 55 HA LYS 55 -0.427 -20.528 -1.109
127 1HB LYS 55 2HB LYS 55 0.707 -18.351 -1.360
128 2HB LYS 55 3HB LYS 55 1.090 -18.343 0.349
129 1HG LYS 55 2HG LYS 55 2.353 -20.503 0.052
130 2HG LYS 55 3HG LYS 55 2.009 -20.449 -1.666
131 1HD LYS 55 2HD LYS 55 3.488 -18.239 -0.162
132 2HD LYS 55 3HD LYS 55 4.293 -19.537 -1.020
133 1HE LYS 55 2HE LYS 55 2.381 -18.469 -2.852
134 2HE LYS 55 3HE LYS 55 3.131 -17.083 -2.087
135 1HZ LYS 55 1HZ LYS 55 4.198 -18.541 -4.079
136 2HZ LYS 55 2HZ LYS 55 5.021 -17.498 -3.130
137 3HZ LYS 55 3HZ LYS 55 5.012 -19.093 -2.777
138 H TRP 56 H TRP 56 -0.537 -19.225 2.260
139 HA TRP 56 HA TRP 56 0.887 -21.092 3.588
140 1HB TRP 56 2HB TRP 56 0.133 -19.576 5.050
141 2HB TRP 56 3HB TRP 56 -1.384 -19.339 4.205
142 HD1 TRP 56 HD1 TRP 56 -3.485 -20.824 5.039
143 HE1 TRP 56 HE1 TRP 56 -4.004 -22.323 7.147
144 HE3 TRP 56 HE3 TRP 56 1.332 -21.175 6.632
145 HZ2 TRP 56 HZ2 TRP 56 -2.379 -23.462 9.199
146 HZ3 TRP 56 HZ3 TRP 56 1.779 -22.498 8.695
147 HH2 TRP 56 HH2 TRP 56 0.017 -23.619 9.967
148 H LYS 57 H LYS 57 -2.613 -21.317 2.623
149 HA LYS 57 HA LYS 57 -3.245 -23.737 3.615
150 1HB LYS 57 2HB LYS 57 -4.732 -22.181 2.352
151 2HB LYS 57 3HB LYS 57 -4.003 -22.730 0.857
152 1HG LYS 57 2HG LYS 57 -4.770 -25.048 2.427
153 2HG LYS 57 3HG LYS 57 -6.138 -23.955 2.330
154 1HD LYS 57 2HD LYS 57 -4.518 -24.781 -0.119
155 2HD LYS 57 3HD LYS 57 -5.924 -25.672 0.426
156 1HE LYS 57 2HE LYS 57 -6.290 -22.711 0.141
157 2HE LYS 57 3HE LYS 57 -6.049 -23.596 -1.353
158 1HZ LYS 57 1HZ LYS 57 -7.832 -25.096 -0.606
159 2HZ LYS 57 2HZ LYS 57 -8.111 -24.118 0.671
160 3HZ LYS 57 3HZ LYS 57 -8.341 -23.564 -0.849
161 H LYS 58 H LYS 58 -2.707 -25.859 3.316
162 HA LYS 58 HA LYS 58 -0.534 -26.351 1.458
163 1HB LYS 58 2HB LYS 58 -0.244 -27.097 3.746
164 2HB LYS 58 3HB LYS 58 -1.741 -28.007 3.692
165 1HG LYS 58 2HG LYS 58 -0.246 -29.717 3.205
166 2HG LYS 58 3HG LYS 58 -0.594 -29.173 1.576
167 1HD LYS 58 2HD LYS 58 1.442 -27.844 1.489
168 2HD LYS 58 3HD LYS 58 1.729 -28.054 3.204
169 1HE LYS 58 2HE LYS 58 1.555 -30.486 1.397
170 2HE LYS 58 3HE LYS 58 3.041 -29.560 1.471
171 1HZ LYS 58 1HZ LYS 58 1.732 -31.059 3.595
172 2HZ LYS 58 2HZ LYS 58 3.299 -31.080 3.134
173 3HZ LYS 58 3HZ LYS 58 2.716 -29.815 3.986
Start of MODEL 14
1 H ARG 43 H ARG 43 -1.892 -0.437 -1.087
2 HA ARG 43 HA ARG 43 -0.559 0.525 -2.581
3 1HB ARG 43 2HB ARG 43 1.016 1.201 -0.132
4 2HB ARG 43 3HB ARG 43 1.978 1.008 -1.584
5 1HG ARG 43 2HG ARG 43 0.427 2.620 -2.772
6 2HG ARG 43 3HG ARG 43 -0.427 2.866 -1.262
7 1HD ARG 43 2HD ARG 43 2.518 3.194 -1.026
8 2HD ARG 43 3HD ARG 43 1.771 4.344 -2.115
9 HE ARG 43 HE ARG 43 0.094 4.401 0.085
10 1HH1 ARG 43 2HH2 ARG 43 3.567 4.789 -0.333
11 2HH1 ARG 43 1HH2 ARG 43 3.742 5.848 1.028
12 1HH2 ARG 43 2HH1 ARG 43 0.323 5.799 1.878
13 2HH2 ARG 43 1HH1 ARG 43 1.884 6.426 2.293
14 H GLN 44 H GLN 44 1.378 -1.350 -0.125
15 HA GLN 44 HA GLN 44 1.731 -3.408 -2.106
16 1HB GLN 44 2HB GLN 44 3.675 -1.671 -2.222
17 2HB GLN 44 3HB GLN 44 4.188 -2.333 -0.683
18 1HG GLN 44 2HG GLN 44 4.116 -4.658 -1.793
19 2HG GLN 44 3HG GLN 44 3.895 -3.833 -3.323
20 1HE2 GLN 44 1HE2 GLN 44 5.692 -3.801 -4.422
21 2HE2 GLN 44 2HE2 GLN 44 7.287 -3.475 -3.827
22 H ILE 45 H ILE 45 0.397 -2.831 0.615
23 HA ILE 45 HA ILE 45 1.682 -5.042 2.064
24 HB ILE 45 HB ILE 45 0.687 -2.397 2.949
25 1HG1 ILE 45 2HG1 ILE 45 2.508 -3.557 4.765
26 2HG1 ILE 45 3HG1 ILE 45 3.057 -4.044 3.174
27 1HG2 ILE 45 1HG2 ILE 45 0.184 -3.223 5.219
28 2HG2 ILE 45 2HG2 ILE 45 -0.971 -3.815 4.002
29 3HG2 ILE 45 3HG2 ILE 45 0.301 -4.895 4.620
30 1HD1 ILE 45 1HD1 ILE 45 3.758 -1.683 4.237
31 2HD1 ILE 45 2HD1 ILE 45 3.484 -1.865 2.488
32 3HD1 ILE 45 3HD1 ILE 45 2.207 -1.178 3.521
33 H LYS 46 H LYS 46 -0.919 -4.107 0.147
34 HA LYS 46 HA LYS 46 -2.692 -6.010 1.514
35 1HB LYS 46 2HB LYS 46 -4.561 -4.816 0.663
36 2HB LYS 46 3HB LYS 46 -3.486 -3.632 1.379
37 1HG LYS 46 2HG LYS 46 -3.360 -2.526 -0.593
38 2HG LYS 46 3HG LYS 46 -2.679 -3.946 -1.363
39 1HD LYS 46 2HD LYS 46 -5.212 -4.779 -1.402
40 2HD LYS 46 3HD LYS 46 -5.575 -3.074 -1.218
41 1HE LYS 46 2HE LYS 46 -3.550 -3.818 -3.317
42 2HE LYS 46 3HE LYS 46 -5.221 -4.230 -3.644
43 1HZ LYS 46 1HZ LYS 46 -4.845 -2.071 -4.439
44 2HZ LYS 46 2HZ LYS 46 -5.751 -1.888 -3.092
45 3HZ LYS 46 3HZ LYS 46 -4.151 -1.565 -3.049
46 H ILE 47 H ILE 47 -0.440 -5.771 -0.911
47 HA ILE 47 HA ILE 47 -1.968 -7.573 -2.655
48 HB ILE 47 HB ILE 47 -0.026 -6.890 -4.268
49 1HG1 ILE 47 2HG1 ILE 47 0.653 -4.522 -3.947
50 2HG1 ILE 47 3HG1 ILE 47 -0.086 -4.535 -2.359
51 1HG2 ILE 47 1HG2 ILE 47 -1.756 -4.596 -4.241
52 2HG2 ILE 47 2HG2 ILE 47 -1.734 -5.985 -5.353
53 3HG2 ILE 47 3HG2 ILE 47 -2.692 -6.060 -3.855
54 1HD1 ILE 47 1HD1 ILE 47 2.543 -5.249 -2.917
55 2HD1 ILE 47 2HD1 ILE 47 1.658 -5.668 -1.431
56 3HD1 ILE 47 3HD1 ILE 47 1.731 -6.826 -2.780
57 H TRP 48 H TRP 48 0.796 -7.136 -0.527
58 HA TRP 48 HA TRP 48 2.069 -9.558 -1.481
59 1HB TRP 48 2HB TRP 48 3.007 -7.228 -0.363
60 2HB TRP 48 3HB TRP 48 3.049 -8.332 0.998
61 HD1 TRP 48 HD1 TRP 48 5.034 -7.416 -2.029
62 HE1 TRP 48 HE1 TRP 48 7.078 -9.030 -2.452
63 HE3 TRP 48 HE3 TRP 48 3.552 -11.006 1.252
64 HZ2 TRP 48 HZ2 TRP 48 7.830 -11.570 -1.391
65 HZ3 TRP 48 HZ3 TRP 48 4.999 -13.022 1.499
66 HH2 TRP 48 HH2 TRP 48 7.072 -13.335 0.243
67 H PHE 49 H PHE 49 -0.104 -8.343 1.058
68 HA PHE 49 HA PHE 49 0.215 -10.505 2.829
69 1HB PHE 49 2HB PHE 49 -1.260 -9.149 4.006
70 2HB PHE 49 3HB PHE 49 -1.103 -8.024 2.672
71 HD1 PHE 49 HD1 PHE 49 -2.759 -8.256 0.727
72 HD2 PHE 49 HD2 PHE 49 -3.329 -10.128 4.492
73 HE1 PHE 49 HE1 PHE 49 -5.208 -8.494 0.238
74 HE2 PHE 49 HE2 PHE 49 -5.779 -10.366 4.003
75 HZ PHE 49 HZ PHE 49 -6.690 -9.546 1.881
76 H GLN 50 H GLN 50 -1.945 -9.872 0.023
77 HA GLN 50 HA GLN 50 -3.525 -12.155 0.533
78 1HB GLN 50 2HB GLN 50 -4.625 -11.620 -1.550
79 2HB GLN 50 3HB GLN 50 -4.279 -10.107 -0.738
80 1HG GLN 50 2HG GLN 50 -2.995 -9.398 -2.469
81 2HG GLN 50 3HG GLN 50 -1.996 -10.834 -2.379
82 1HE2 GLN 50 1HE2 GLN 50 -2.073 -12.252 -3.961
83 2HE2 GLN 50 2HE2 GLN 50 -3.268 -12.347 -5.213
84 H ASN 51 H ASN 51 -0.337 -11.774 -0.532
85 HA ASN 51 HA ASN 51 -0.439 -13.938 -2.416
86 1HB ASN 51 2HB ASN 51 1.689 -12.027 -1.405
87 2HB ASN 51 3HB ASN 51 2.203 -13.509 -2.188
88 1HD2 ASN 51 1HD2 ASN 51 2.457 -10.715 -3.010
89 2HD2 ASN 51 2HD2 ASN 51 1.729 -10.568 -4.575
90 H ARG 52 H ARG 52 0.786 -13.113 0.883
91 HA ARG 52 HA ARG 52 1.996 -15.640 1.236
92 1HB ARG 52 2HB ARG 52 2.322 -13.222 2.442
93 2HB ARG 52 3HB ARG 52 1.233 -13.948 3.607
94 1HG ARG 52 2HG ARG 52 2.791 -15.494 4.318
95 2HG ARG 52 3HG ARG 52 3.460 -15.721 2.714
96 1HD ARG 52 2HD ARG 52 5.125 -14.215 3.103
97 2HD ARG 52 3HD ARG 52 3.990 -12.999 3.655
98 HE ARG 52 HE ARG 52 4.068 -14.720 5.797
99 1HH1 ARG 52 2HH2 ARG 52 6.591 -13.143 3.919
100 2HH1 ARG 52 1HH2 ARG 52 7.709 -13.074 5.240
101 1HH2 ARG 52 2HH1 ARG 52 5.543 -14.630 7.540
102 2HH2 ARG 52 1HH1 ARG 52 7.109 -13.926 7.314
103 H ARG 53 H ARG 53 -1.221 -14.314 1.552
104 HA ARG 53 HA ARG 53 -1.980 -16.594 3.189
105 1HB ARG 53 2HB ARG 53 -3.018 -13.784 2.922
106 2HB ARG 53 3HB ARG 53 -4.220 -15.028 3.209
107 1HG ARG 53 2HG ARG 53 -2.606 -15.827 5.131
108 2HG ARG 53 3HG ARG 53 -1.866 -14.247 4.963
109 1HD ARG 53 2HD ARG 53 -4.102 -13.168 5.337
110 2HD ARG 53 3HD ARG 53 -4.831 -14.751 5.522
111 HE ARG 53 HE ARG 53 -3.892 -14.925 7.670
112 1HH1 ARG 53 2HH2 ARG 53 -2.393 -12.253 5.937
113 2HH1 ARG 53 1HH2 ARG 53 -1.558 -11.651 7.331
114 1HH2 ARG 53 2HH1 ARG 53 -2.791 -14.130 9.509
115 2HH2 ARG 53 1HH1 ARG 53 -1.786 -12.726 9.375
116 H MET 54 H MET 54 -1.425 -16.815 0.332
117 HA MET 54 HA MET 54 -4.139 -17.177 -0.680
118 1HB MET 54 2HB MET 54 -1.875 -15.829 -1.779
119 2HB MET 54 3HB MET 54 -1.985 -17.323 -2.688
120 1HG MET 54 2HG MET 54 -4.643 -16.134 -2.328
121 2HG MET 54 3HG MET 54 -3.545 -14.985 -3.067
122 1HE MET 54 1HE MET 54 -5.040 -18.916 -3.949
123 2HE MET 54 2HE MET 54 -5.834 -17.485 -3.250
124 3HE MET 54 3HE MET 54 -5.986 -17.827 -4.990
125 H LYS 55 H LYS 55 -1.132 -18.696 0.241
126 HA LYS 55 HA LYS 55 -2.043 -21.194 -1.008
127 1HB LYS 55 2HB LYS 55 0.420 -19.882 -1.263
128 2HB LYS 55 3HB LYS 55 0.735 -21.187 -0.138
129 1HG LYS 55 2HG LYS 55 -0.153 -22.848 -1.697
130 2HG LYS 55 3HG LYS 55 -0.746 -21.600 -2.774
131 1HD LYS 55 2HD LYS 55 1.936 -20.919 -2.572
132 2HD LYS 55 3HD LYS 55 2.013 -22.666 -2.453
133 1HE LYS 55 2HE LYS 55 2.165 -22.099 -4.806
134 2HE LYS 55 3HE LYS 55 0.589 -22.821 -4.549
135 1HZ LYS 55 1HZ LYS 55 0.624 -20.720 -5.846
136 2HZ LYS 55 2HZ LYS 55 -0.409 -20.718 -4.581
137 3HZ LYS 55 3HZ LYS 55 1.012 -19.921 -4.476
138 H TRP 56 H TRP 56 -3.367 -20.416 1.276
139 HA TRP 56 HA TRP 56 -2.222 -22.282 3.228
140 1HB TRP 56 2HB TRP 56 -2.416 -19.480 3.562
141 2HB TRP 56 3HB TRP 56 -3.679 -20.189 4.548
142 HD1 TRP 56 HD1 TRP 56 0.162 -20.770 4.035
143 HE1 TRP 56 HE1 TRP 56 1.311 -21.395 6.326
144 HE3 TRP 56 HE3 TRP 56 -4.118 -20.780 6.780
145 HZ2 TRP 56 HZ2 TRP 56 0.323 -21.813 8.971
146 HZ3 TRP 56 HZ3 TRP 56 -3.938 -21.307 9.210
147 HH2 TRP 56 HH2 TRP 56 -1.814 -21.812 10.309
148 H LYS 57 H LYS 57 -5.081 -20.345 2.110
149 HA LYS 57 HA LYS 57 -6.767 -22.592 2.968
150 1HB LYS 57 2HB LYS 57 -7.256 -20.518 4.152
151 2HB LYS 57 3HB LYS 57 -7.435 -19.652 2.638
152 1HG LYS 57 2HG LYS 57 -9.573 -20.381 2.370
153 2HG LYS 57 3HG LYS 57 -9.113 -22.049 2.640
154 1HD LYS 57 2HD LYS 57 -9.102 -20.334 5.084
155 2HD LYS 57 3HD LYS 57 -10.680 -20.576 4.360
156 1HE LYS 57 2HE LYS 57 -10.711 -22.533 5.540
157 2HE LYS 57 3HE LYS 57 -9.671 -23.147 4.272
158 1HZ LYS 57 1HZ LYS 57 -8.383 -21.689 6.404
159 2HZ LYS 57 2HZ LYS 57 -8.977 -23.161 6.784
160 3HZ LYS 57 3HZ LYS 57 -7.874 -23.010 5.590
161 H LYS 58 H LYS 58 -7.121 -23.945 1.285
162 HA LYS 58 HA LYS 58 -6.841 -23.166 -1.386
163 1HB LYS 58 2HB LYS 58 -7.822 -25.575 0.080
164 2HB LYS 58 3HB LYS 58 -8.261 -25.425 -1.609
165 1HG LYS 58 2HG LYS 58 -5.701 -24.853 -1.963
166 2HG LYS 58 3HG LYS 58 -5.490 -25.589 -0.387
167 1HD LYS 58 2HD LYS 58 -6.932 -27.566 -1.407
168 2HD LYS 58 3HD LYS 58 -6.485 -26.866 -2.950
169 1HE LYS 58 2HE LYS 58 -4.059 -26.923 -1.513
170 2HE LYS 58 3HE LYS 58 -4.844 -28.424 -1.065
171 1HZ LYS 58 1HZ LYS 58 -5.037 -27.842 -3.846
172 2HZ LYS 58 2HZ LYS 58 -3.495 -28.011 -3.338
173 3HZ LYS 58 3HZ LYS 58 -4.569 -29.218 -3.102
Start of MODEL 15
1 H ARG 43 H ARG 43 2.384 1.602 -2.886
2 HA ARG 43 HA ARG 43 2.153 0.658 -0.921
3 1HB ARG 43 2HB ARG 43 -0.611 -0.048 -1.959
4 2HB ARG 43 3HB ARG 43 -0.019 -0.827 -0.506
5 1HG ARG 43 2HG ARG 43 -0.206 1.083 0.755
6 2HG ARG 43 3HG ARG 43 0.413 2.109 -0.523
7 1HD ARG 43 2HD ARG 43 -1.794 2.017 -1.686
8 2HD ARG 43 3HD ARG 43 -2.418 0.953 -0.441
9 HE ARG 43 HE ARG 43 -1.317 3.488 0.574
10 1HH1 ARG 43 2HH2 ARG 43 -4.186 1.801 -0.569
11 2HH1 ARG 43 1HH2 ARG 43 -5.289 2.887 0.207
12 1HH2 ARG 43 2HH1 ARG 43 -2.773 4.922 1.597
13 2HH2 ARG 43 1HH1 ARG 43 -4.480 4.674 1.448
14 H GLN 44 H GLN 44 2.229 -1.679 0.021
15 HA GLN 44 HA GLN 44 2.279 -3.753 -1.931
16 1HB GLN 44 2HB GLN 44 4.762 -2.385 -1.108
17 2HB GLN 44 3HB GLN 44 4.824 -4.115 -0.838
18 1HG GLN 44 2HG GLN 44 4.744 -4.618 -3.093
19 2HG GLN 44 3HG GLN 44 3.662 -3.291 -3.464
20 1HE2 GLN 44 1HE2 GLN 44 5.185 -3.160 -5.302
21 2HE2 GLN 44 2HE2 GLN 44 6.593 -2.163 -5.152
22 H ILE 45 H ILE 45 0.882 -3.021 0.598
23 HA ILE 45 HA ILE 45 1.804 -5.273 2.244
24 HB ILE 45 HB ILE 45 0.965 -2.517 2.930
25 1HG1 ILE 45 2HG1 ILE 45 2.500 -3.662 4.965
26 2HG1 ILE 45 3HG1 ILE 45 3.132 -4.384 3.498
27 1HG2 ILE 45 1HG2 ILE 45 -0.898 -3.749 3.869
28 2HG2 ILE 45 2HG2 ILE 45 0.215 -4.903 4.642
29 3HG2 ILE 45 3HG2 ILE 45 0.187 -3.203 5.170
30 1HD1 ILE 45 1HD1 ILE 45 2.584 -1.430 3.425
31 2HD1 ILE 45 2HD1 ILE 45 3.977 -1.984 4.386
32 3HD1 ILE 45 3HD1 ILE 45 3.886 -2.363 2.649
33 H LYS 46 H LYS 46 -0.507 -4.179 0.050
34 HA LYS 46 HA LYS 46 -2.566 -5.871 1.287
35 1HB LYS 46 2HB LYS 46 -4.214 -4.568 0.065
36 2HB LYS 46 3HB LYS 46 -3.242 -3.527 1.085
37 1HG LYS 46 2HG LYS 46 -2.814 -2.270 -0.756
38 2HG LYS 46 3HG LYS 46 -1.811 -3.584 -1.335
39 1HD LYS 46 2HD LYS 46 -3.774 -4.613 -2.469
40 2HD LYS 46 3HD LYS 46 -4.812 -3.342 -1.853
41 1HE LYS 46 2HE LYS 46 -3.093 -1.711 -3.038
42 2HE LYS 46 3HE LYS 46 -2.617 -3.138 -3.936
43 1HZ LYS 46 1HZ LYS 46 -5.352 -3.119 -3.958
44 2HZ LYS 46 2HZ LYS 46 -4.920 -1.570 -4.240
45 3HZ LYS 46 3HZ LYS 46 -4.359 -2.762 -5.205
46 H ILE 47 H ILE 47 -0.084 -5.911 -0.917
47 HA ILE 47 HA ILE 47 -1.596 -7.639 -2.751
48 HB ILE 47 HB ILE 47 0.529 -7.178 -4.196
49 1HG1 ILE 47 2HG1 ILE 47 1.391 -4.868 -3.873
50 2HG1 ILE 47 3HG1 ILE 47 0.524 -4.770 -2.352
51 1HG2 ILE 47 1HG2 ILE 47 -2.023 -5.773 -3.858
52 2HG2 ILE 47 2HG2 ILE 47 -0.775 -4.811 -4.687
53 3HG2 ILE 47 3HG2 ILE 47 -1.238 -6.408 -5.325
54 1HD1 ILE 47 1HD1 ILE 47 2.077 -6.023 -1.255
55 2HD1 ILE 47 2HD1 ILE 47 2.152 -7.225 -2.566
56 3HD1 ILE 47 3HD1 ILE 47 3.116 -5.732 -2.671
57 H TRP 48 H TRP 48 0.993 -7.357 -0.387
58 HA TRP 48 HA TRP 48 2.138 -9.906 -1.151
59 1HB TRP 48 2HB TRP 48 3.000 -7.585 0.280
60 2HB TRP 48 3HB TRP 48 3.134 -8.973 1.341
61 HD1 TRP 48 HD1 TRP 48 5.501 -7.254 -0.477
62 HE1 TRP 48 HE1 TRP 48 7.375 -8.657 -1.697
63 HE3 TRP 48 HE3 TRP 48 2.978 -11.668 -0.404
64 HZ2 TRP 48 HZ2 TRP 48 7.586 -11.394 -2.477
65 HZ3 TRP 48 HZ3 TRP 48 4.090 -13.657 -1.417
66 HH2 TRP 48 HH2 TRP 48 6.313 -13.570 -2.427
67 H PHE 49 H PHE 49 -0.149 -8.434 1.143
68 HA PHE 49 HA PHE 49 -0.185 -10.549 2.992
69 1HB PHE 49 2HB PHE 49 -1.663 -9.049 3.973
70 2HB PHE 49 3HB PHE 49 -1.276 -7.984 2.638
71 HD1 PHE 49 HD1 PHE 49 -2.730 -8.162 0.526
72 HD2 PHE 49 HD2 PHE 49 -3.848 -9.827 4.266
73 HE1 PHE 49 HE1 PHE 49 -5.127 -8.220 -0.216
74 HE2 PHE 49 HE2 PHE 49 -6.245 -9.885 3.524
75 HZ PHE 49 HZ PHE 49 -6.856 -9.081 1.292
76 H GLN 50 H GLN 50 -1.991 -9.866 -0.042
77 HA GLN 50 HA GLN 50 -3.771 -12.027 0.383
78 1HB GLN 50 2HB GLN 50 -4.453 -11.539 -2.001
79 2HB GLN 50 3HB GLN 50 -4.539 -10.153 -0.932
80 1HG GLN 50 2HG GLN 50 -2.642 -9.122 -1.878
81 2HG GLN 50 3HG GLN 50 -1.973 -10.635 -2.454
82 1HE2 GLN 50 1HE2 GLN 50 -1.723 -10.120 -4.548
83 2HE2 GLN 50 2HE2 GLN 50 -3.010 -9.779 -5.656
84 H ASN 51 H ASN 51 -0.546 -11.616 -0.930
85 HA ASN 51 HA ASN 51 -0.661 -13.934 -2.559
86 1HB ASN 51 2HB ASN 51 1.465 -11.975 -1.672
87 2HB ASN 51 3HB ASN 51 2.003 -13.522 -2.294
88 1HD2 ASN 51 1HD2 ASN 51 2.221 -10.779 -3.354
89 2HD2 ASN 51 2HD2 ASN 51 1.553 -10.804 -4.952
90 H ARG 52 H ARG 52 0.182 -13.042 0.784
91 HA ARG 52 HA ARG 52 1.405 -15.611 1.226
92 1HB ARG 52 2HB ARG 52 2.296 -13.390 2.196
93 2HB ARG 52 3HB ARG 52 0.908 -13.390 3.265
94 1HG ARG 52 2HG ARG 52 2.223 -14.603 4.682
95 2HG ARG 52 3HG ARG 52 1.859 -15.960 3.636
96 1HD ARG 52 2HD ARG 52 4.029 -16.102 2.979
97 2HD ARG 52 3HD ARG 52 4.018 -14.435 2.441
98 HE ARG 52 HE ARG 52 4.229 -14.137 5.159
99 1HH1 ARG 52 2HH2 ARG 52 5.999 -16.124 2.857
100 2HH1 ARG 52 1HH2 ARG 52 7.467 -16.108 3.777
101 1HH2 ARG 52 2HH1 ARG 52 6.165 -14.114 6.373
102 2HH2 ARG 52 1HH1 ARG 52 7.561 -14.957 5.791
103 H ARG 53 H ARG 53 -1.692 -14.162 1.282
104 HA ARG 53 HA ARG 53 -2.587 -15.964 3.375
105 1HB ARG 53 2HB ARG 53 -3.157 -13.463 3.477
106 2HB ARG 53 3HB ARG 53 -4.149 -13.693 2.051
107 1HG ARG 53 2HG ARG 53 -5.072 -15.741 3.661
108 2HG ARG 53 3HG ARG 53 -4.653 -14.538 4.865
109 1HD ARG 53 2HD ARG 53 -6.112 -13.431 2.518
110 2HD ARG 53 3HD ARG 53 -7.037 -14.598 3.441
111 HE ARG 53 HE ARG 53 -5.737 -12.729 5.220
112 1HH1 ARG 53 2HH2 ARG 53 -8.444 -13.008 2.989
113 2HH1 ARG 53 1HH2 ARG 53 -9.387 -11.790 3.781
114 1HH2 ARG 53 2HH1 ARG 53 -6.981 -11.121 6.265
115 2HH2 ARG 53 1HH1 ARG 53 -8.549 -10.709 5.656
116 H MET 54 H MET 54 -2.124 -17.631 1.486
117 HA MET 54 HA MET 54 -4.403 -18.754 0.685
118 1HB MET 54 2HB MET 54 -3.862 -16.386 -0.922
119 2HB MET 54 3HB MET 54 -3.706 -17.793 -1.955
120 1HG MET 54 2HG MET 54 -6.001 -18.490 -0.682
121 2HG MET 54 3HG MET 54 -6.134 -16.749 -0.518
122 1HE MET 54 1HE MET 54 -6.882 -19.270 -4.149
123 2HE MET 54 2HE MET 54 -6.006 -19.792 -2.690
124 3HE MET 54 3HE MET 54 -7.700 -19.259 -2.568
125 H LYS 55 H LYS 55 -1.038 -17.924 -0.039
126 HA LYS 55 HA LYS 55 -0.519 -20.074 -1.783
127 1HB LYS 55 2HB LYS 55 0.806 -17.826 -1.093
128 2HB LYS 55 3HB LYS 55 1.662 -18.974 -0.083
129 1HG LYS 55 2HG LYS 55 1.221 -20.052 -2.782
130 2HG LYS 55 3HG LYS 55 2.072 -18.522 -2.841
131 1HD LYS 55 2HD LYS 55 2.954 -20.629 -0.852
132 2HD LYS 55 3HD LYS 55 3.421 -20.791 -2.533
133 1HE LYS 55 2HE LYS 55 3.898 -18.235 -0.935
134 2HE LYS 55 3HE LYS 55 5.075 -19.530 -1.017
135 1HZ LYS 55 1HZ LYS 55 5.399 -17.804 -2.691
136 2HZ LYS 55 2HZ LYS 55 5.177 -19.275 -3.366
137 3HZ LYS 55 3HZ LYS 55 3.965 -18.179 -3.377
138 H TRP 56 H TRP 56 -0.931 -19.787 1.695
139 HA TRP 56 HA TRP 56 -0.140 -22.609 1.922
140 1HB TRP 56 2HB TRP 56 0.749 -22.216 4.101
141 2HB TRP 56 3HB TRP 56 1.543 -21.148 2.960
142 HD1 TRP 56 HD1 TRP 56 0.190 -18.511 2.937
143 HE1 TRP 56 HE1 TRP 56 -0.430 -16.987 5.000
144 HE3 TRP 56 HE3 TRP 56 0.252 -22.248 6.385
145 HZ2 TRP 56 HZ2 TRP 56 -0.815 -17.504 7.780
146 HZ3 TRP 56 HZ3 TRP 56 -0.257 -21.652 8.751
147 HH2 TRP 56 HH2 TRP 56 -0.777 -19.375 9.469
148 H LYS 57 H LYS 57 -2.610 -22.438 1.169
149 HA LYS 57 HA LYS 57 -4.155 -23.284 3.293
150 1HB LYS 57 2HB LYS 57 -3.975 -20.421 3.194
151 2HB LYS 57 3HB LYS 57 -5.608 -20.891 2.769
152 1HG LYS 57 2HG LYS 57 -5.653 -22.393 4.816
153 2HG LYS 57 3HG LYS 57 -4.076 -21.769 5.261
154 1HD LYS 57 2HD LYS 57 -6.038 -19.633 4.651
155 2HD LYS 57 3HD LYS 57 -6.528 -20.653 5.990
156 1HE LYS 57 2HE LYS 57 -3.755 -20.160 6.404
157 2HE LYS 57 3HE LYS 57 -4.427 -18.621 5.899
158 1HZ LYS 57 1HZ LYS 57 -6.007 -20.063 7.810
159 2HZ LYS 57 2HZ LYS 57 -4.561 -19.551 8.369
160 3HZ LYS 57 3HZ LYS 57 -5.628 -18.476 7.756
161 H LYS 58 H LYS 58 -6.690 -23.034 2.524
162 HA LYS 58 HA LYS 58 -6.996 -22.937 -0.302
163 1HB LYS 58 2HB LYS 58 -5.920 -25.080 -0.279
164 2HB LYS 58 3HB LYS 58 -6.908 -25.642 1.055
165 1HG LYS 58 2HG LYS 58 -8.417 -24.668 -1.339
166 2HG LYS 58 3HG LYS 58 -7.483 -26.130 -1.584
167 1HD LYS 58 2HD LYS 58 -8.913 -27.384 -0.326
168 2HD LYS 58 3HD LYS 58 -8.942 -26.204 0.970
169 1HE LYS 58 2HE LYS 58 -10.362 -25.150 -1.353
170 2HE LYS 58 3HE LYS 58 -10.995 -26.732 -0.939
171 1HZ LYS 58 1HZ LYS 58 -11.865 -25.935 0.920
172 2HZ LYS 58 2HZ LYS 58 -10.536 -25.081 1.334
173 3HZ LYS 58 3HZ LYS 58 -11.627 -24.443 0.298
Start of MODEL 16
1 H ARG 43 H ARG 43 -0.560 0.802 -0.597
2 HA ARG 43 HA ARG 43 -2.160 -0.760 -2.191
3 1HB ARG 43 2HB ARG 43 0.395 0.812 -2.641
4 2HB ARG 43 3HB ARG 43 -0.238 -0.169 -3.950
5 1HG ARG 43 2HG ARG 43 -2.482 1.012 -3.642
6 2HG ARG 43 3HG ARG 43 -1.702 2.080 -2.492
7 1HD ARG 43 2HD ARG 43 0.051 2.222 -4.637
8 2HD ARG 43 3HD ARG 43 -1.481 2.012 -5.461
9 HE ARG 43 HE ARG 43 -0.624 4.365 -3.976
10 1HH1 ARG 43 2HH2 ARG 43 -3.451 2.523 -4.975
11 2HH1 ARG 43 1HH2 ARG 43 -4.525 3.879 -4.881
12 1HH2 ARG 43 2HH1 ARG 43 -2.041 6.153 -3.851
13 2HH2 ARG 43 1HH1 ARG 43 -3.718 5.957 -4.238
14 H GLN 44 H GLN 44 1.379 -1.090 -1.392
15 HA GLN 44 HA GLN 44 1.340 -3.719 -2.574
16 1HB GLN 44 2HB GLN 44 3.754 -3.649 -2.385
17 2HB GLN 44 3HB GLN 44 3.220 -2.104 -3.014
18 1HG GLN 44 2HG GLN 44 3.231 -1.262 -0.564
19 2HG GLN 44 3HG GLN 44 4.079 -2.742 -0.160
20 1HE2 GLN 44 1HE2 GLN 44 5.962 -3.259 -1.675
21 2HE2 GLN 44 2HE2 GLN 44 7.050 -1.961 -2.039
22 H ILE 45 H ILE 45 -0.028 -2.842 0.079
23 HA ILE 45 HA ILE 45 1.309 -4.828 1.783
24 HB ILE 45 HB ILE 45 0.836 -2.164 2.309
25 1HG1 ILE 45 2HG1 ILE 45 1.562 -2.705 4.568
26 2HG1 ILE 45 3HG1 ILE 45 1.162 -4.396 4.335
27 1HG2 ILE 45 1HG2 ILE 45 -0.887 -1.992 3.947
28 2HG2 ILE 45 2HG2 ILE 45 -1.605 -2.720 2.489
29 3HG2 ILE 45 3HG2 ILE 45 -1.205 -3.742 3.891
30 1HD1 ILE 45 1HD1 ILE 45 3.605 -3.047 3.663
31 2HD1 ILE 45 2HD1 ILE 45 3.203 -4.766 3.437
32 3HD1 ILE 45 3HD1 ILE 45 2.853 -3.593 2.145
33 H LYS 46 H LYS 46 -1.114 -4.539 -0.398
34 HA LYS 46 HA LYS 46 -2.863 -6.298 1.175
35 1HB LYS 46 2HB LYS 46 -4.784 -5.371 0.042
36 2HB LYS 46 3HB LYS 46 -3.895 -4.086 0.836
37 1HG LYS 46 2HG LYS 46 -2.889 -3.369 -1.264
38 2HG LYS 46 3HG LYS 46 -3.476 -4.791 -2.103
39 1HD LYS 46 2HD LYS 46 -5.817 -4.056 -1.806
40 2HD LYS 46 3HD LYS 46 -5.298 -2.691 -0.836
41 1HE LYS 46 2HE LYS 46 -5.401 -1.574 -2.847
42 2HE LYS 46 3HE LYS 46 -3.787 -2.225 -3.055
43 1HZ LYS 46 1HZ LYS 46 -5.946 -2.706 -4.637
44 2HZ LYS 46 2HZ LYS 46 -4.507 -3.476 -4.701
45 3HZ LYS 46 3HZ LYS 46 -5.733 -4.107 -3.825
46 H ILE 47 H ILE 47 -0.551 -6.163 -1.188
47 HA ILE 47 HA ILE 47 -1.891 -8.236 -2.780
48 HB ILE 47 HB ILE 47 0.067 -7.589 -4.393
49 1HG1 ILE 47 2HG1 ILE 47 0.559 -5.155 -4.311
50 2HG1 ILE 47 3HG1 ILE 47 -0.246 -5.055 -2.757
51 1HG2 ILE 47 1HG2 ILE 47 -2.536 -7.291 -4.524
52 2HG2 ILE 47 2HG2 ILE 47 -2.146 -5.572 -4.273
53 3HG2 ILE 47 3HG2 ILE 47 -1.466 -6.443 -5.668
54 1HD1 ILE 47 1HD1 ILE 47 1.750 -7.231 -2.861
55 2HD1 ILE 47 2HD1 ILE 47 2.450 -5.618 -3.140
56 3HD1 ILE 47 3HD1 ILE 47 1.534 -5.945 -1.648
57 H TRP 48 H TRP 48 0.755 -7.388 -0.628
58 HA TRP 48 HA TRP 48 2.239 -9.783 -1.287
59 1HB TRP 48 2HB TRP 48 2.947 -7.302 -0.349
60 2HB TRP 48 3HB TRP 48 2.994 -8.269 1.111
61 HD1 TRP 48 HD1 TRP 48 5.080 -7.470 -1.874
62 HE1 TRP 48 HE1 TRP 48 7.252 -8.961 -2.049
63 HE3 TRP 48 HE3 TRP 48 3.657 -10.881 1.620
64 HZ2 TRP 48 HZ2 TRP 48 8.110 -11.345 -0.737
65 HZ3 TRP 48 HZ3 TRP 48 5.221 -12.759 2.113
66 HH2 TRP 48 HH2 TRP 48 7.380 -13.022 0.999
67 H PHE 49 H PHE 49 -0.102 -8.501 1.078
68 HA PHE 49 HA PHE 49 0.269 -10.454 3.046
69 1HB PHE 49 2HB PHE 49 -1.414 -9.160 3.998
70 2HB PHE 49 3HB PHE 49 -1.237 -8.136 2.587
71 HD1 PHE 49 HD1 PHE 49 -2.702 -8.685 0.544
72 HD2 PHE 49 HD2 PHE 49 -3.440 -10.242 4.422
73 HE1 PHE 49 HE1 PHE 49 -5.080 -9.166 -0.102
74 HE2 PHE 49 HE2 PHE 49 -5.818 -10.724 3.776
75 HZ PHE 49 HZ PHE 49 -6.609 -10.180 1.522
76 H GLN 50 H GLN 50 -1.764 -10.315 0.081
77 HA GLN 50 HA GLN 50 -3.260 -12.583 0.705
78 1HB GLN 50 2HB GLN 50 -4.189 -11.195 -0.955
79 2HB GLN 50 3HB GLN 50 -2.671 -11.024 -1.815
80 1HG GLN 50 2HG GLN 50 -3.935 -13.767 -1.596
81 2HG GLN 50 3HG GLN 50 -4.580 -12.622 -2.757
82 1HE2 GLN 50 1HE2 GLN 50 -3.080 -11.621 -4.272
83 2HE2 GLN 50 2HE2 GLN 50 -1.732 -12.528 -4.874
84 H ASN 51 H ASN 51 -0.095 -12.066 -0.878
85 HA ASN 51 HA ASN 51 0.175 -14.529 -2.051
86 1HB ASN 51 2HB ASN 51 2.063 -12.427 -0.991
87 2HB ASN 51 3HB ASN 51 2.755 -13.993 -1.365
88 1HD2 ASN 51 1HD2 ASN 51 2.575 -14.845 -3.477
89 2HD2 ASN 51 2HD2 ASN 51 2.365 -13.822 -4.859
90 H ARG 52 H ARG 52 1.144 -13.324 1.244
91 HA ARG 52 HA ARG 52 2.169 -15.800 2.045
92 1HB ARG 52 2HB ARG 52 2.780 -13.574 3.065
93 2HB ARG 52 3HB ARG 52 1.173 -13.465 3.756
94 1HG ARG 52 2HG ARG 52 1.904 -14.637 5.552
95 2HG ARG 52 3HG ARG 52 2.133 -16.031 4.516
96 1HD ARG 52 2HD ARG 52 4.413 -15.775 4.459
97 2HD ARG 52 3HD ARG 52 4.313 -14.036 4.266
98 HE ARG 52 HE ARG 52 4.690 -13.849 6.553
99 1HH1 ARG 52 2HH2 ARG 52 3.144 -16.950 5.942
100 2HH1 ARG 52 1HH2 ARG 52 3.190 -17.444 7.601
101 1HH2 ARG 52 2HH1 ARG 52 4.751 -14.500 8.743
102 2HH2 ARG 52 1HH1 ARG 52 4.110 -16.041 9.205
103 H ARG 53 H ARG 53 -1.045 -14.453 1.794
104 HA ARG 53 HA ARG 53 -2.152 -16.087 3.836
105 1HB ARG 53 2HB ARG 53 -2.967 -13.779 2.559
106 2HB ARG 53 3HB ARG 53 -3.947 -14.964 1.720
107 1HG ARG 53 2HG ARG 53 -4.261 -15.796 4.334
108 2HG ARG 53 3HG ARG 53 -4.075 -14.069 4.562
109 1HD ARG 53 2HD ARG 53 -5.825 -13.964 2.514
110 2HD ARG 53 3HD ARG 53 -6.242 -15.567 3.090
111 HE ARG 53 HE ARG 53 -6.187 -14.025 5.407
112 1HH1 ARG 53 2HH2 ARG 53 -7.888 -13.818 2.333
113 2HH1 ARG 53 1HH2 ARG 53 -9.270 -13.017 3.006
114 1HH2 ARG 53 2HH1 ARG 53 -8.008 -12.968 6.295
115 2HH2 ARG 53 1HH1 ARG 53 -9.338 -12.531 5.275
116 H MET 54 H MET 54 -0.780 -17.884 2.372
117 HA MET 54 HA MET 54 -0.841 -19.638 1.074
118 1HB MET 54 2HB MET 54 -3.186 -19.611 2.726
119 2HB MET 54 3HB MET 54 -3.721 -20.201 1.165
120 1HG MET 54 2HG MET 54 -1.164 -21.432 1.925
121 2HG MET 54 3HG MET 54 -2.373 -21.685 3.169
122 1HE MET 54 1HE MET 54 -2.508 -24.837 2.034
123 2HE MET 54 2HE MET 54 -1.599 -24.531 0.534
124 3HE MET 54 3HE MET 54 -1.097 -23.752 2.053
125 H LYS 55 H LYS 55 -1.261 -17.079 -0.309
126 HA LYS 55 HA LYS 55 -1.832 -16.274 -2.284
127 1HB LYS 55 2HB LYS 55 -1.460 -19.182 -2.784
128 2HB LYS 55 3HB LYS 55 -2.264 -18.275 -4.050
129 1HG LYS 55 2HG LYS 55 -0.213 -17.592 -4.738
130 2HG LYS 55 3HG LYS 55 -0.139 -16.595 -3.299
131 1HD LYS 55 2HD LYS 55 1.628 -17.837 -2.608
132 2HD LYS 55 3HD LYS 55 0.531 -19.185 -2.384
133 1HE LYS 55 2HE LYS 55 1.101 -20.182 -4.424
134 2HE LYS 55 3HE LYS 55 1.516 -18.657 -5.182
135 1HZ LYS 55 1HZ LYS 55 3.580 -19.315 -4.755
136 2HZ LYS 55 2HZ LYS 55 3.314 -18.811 -3.225
137 3HZ LYS 55 3HZ LYS 55 3.148 -20.390 -3.605
138 H TRP 56 H TRP 56 -3.912 -16.715 -0.242
139 HA TRP 56 HA TRP 56 -6.106 -16.532 -0.029
140 1HB TRP 56 2HB TRP 56 -5.623 -14.816 -1.885
141 2HB TRP 56 3HB TRP 56 -6.340 -15.983 -2.978
142 HD1 TRP 56 HD1 TRP 56 -7.398 -14.114 0.292
143 HE1 TRP 56 HE1 TRP 56 -9.983 -13.584 0.256
144 HE3 TRP 56 HE3 TRP 56 -8.352 -16.474 -4.110
145 HZ2 TRP 56 HZ2 TRP 56 -12.089 -14.197 -1.570
146 HZ3 TRP 56 HZ3 TRP 56 -10.700 -16.461 -4.948
147 HH2 TRP 56 HH2 TRP 56 -12.534 -15.374 -3.755
148 H LYS 57 H LYS 57 -4.824 -19.125 -0.581
149 HA LYS 57 HA LYS 57 -5.457 -21.225 -0.849
150 1HB LYS 57 2HB LYS 57 -8.254 -20.163 -1.343
151 2HB LYS 57 3HB LYS 57 -7.825 -21.823 -0.985
152 1HG LYS 57 2HG LYS 57 -6.672 -19.988 0.996
153 2HG LYS 57 3HG LYS 57 -8.409 -19.781 0.885
154 1HD LYS 57 2HD LYS 57 -8.859 -21.885 1.722
155 2HD LYS 57 3HD LYS 57 -7.490 -22.620 0.913
156 1HE LYS 57 2HE LYS 57 -5.953 -21.925 2.607
157 2HE LYS 57 3HE LYS 57 -7.046 -20.703 3.228
158 1HZ LYS 57 1HZ LYS 57 -8.539 -22.634 3.784
159 2HZ LYS 57 2HZ LYS 57 -7.254 -23.606 3.520
160 3HZ LYS 57 3HZ LYS 57 -7.193 -22.471 4.692
161 H LYS 58 H LYS 58 -7.699 -19.671 -3.238
162 HA LYS 58 HA LYS 58 -6.036 -20.868 -5.340
163 1HB LYS 58 2HB LYS 58 -8.672 -21.625 -4.609
164 2HB LYS 58 3HB LYS 58 -8.804 -20.752 -6.122
165 1HG LYS 58 2HG LYS 58 -6.576 -22.314 -6.614
166 2HG LYS 58 3HG LYS 58 -7.490 -23.366 -5.553
167 1HD LYS 58 2HD LYS 58 -8.887 -21.990 -7.867
168 2HD LYS 58 3HD LYS 58 -7.930 -23.428 -8.163
169 1HE LYS 58 2HE LYS 58 -9.665 -23.813 -5.833
170 2HE LYS 58 3HE LYS 58 -10.608 -23.322 -7.227
171 1HZ LYS 58 1HZ LYS 58 -10.189 -25.238 -8.240
172 2HZ LYS 58 2HZ LYS 58 -8.615 -25.283 -7.808
173 3HZ LYS 58 3HZ LYS 58 -9.763 -25.804 -6.769
Start of MODEL 17
1 H ARG 43 H ARG 43 -0.012 -0.499 0.061
2 HA ARG 43 HA ARG 43 2.264 0.930 -0.831
3 1HB ARG 43 2HB ARG 43 1.573 0.799 2.086
4 2HB ARG 43 3HB ARG 43 3.240 0.435 1.689
5 1HG ARG 43 2HG ARG 43 1.894 2.892 0.518
6 2HG ARG 43 3HG ARG 43 2.547 2.935 2.145
7 1HD ARG 43 2HD ARG 43 4.651 1.783 0.759
8 2HD ARG 43 3HD ARG 43 3.980 2.838 -0.468
9 HE ARG 43 HE ARG 43 4.066 4.515 1.693
10 1HH1 ARG 43 2HH2 ARG 43 6.472 2.351 0.311
11 2HH1 ARG 43 1HH2 ARG 43 7.818 3.315 0.819
12 1HH2 ARG 43 2HH1 ARG 43 5.841 5.788 2.364
13 2HH2 ARG 43 1HH1 ARG 43 7.457 5.284 1.994
14 H GLN 44 H GLN 44 1.590 -1.327 -1.959
15 HA GLN 44 HA GLN 44 1.851 -3.499 -2.194
16 1HB GLN 44 2HB GLN 44 4.334 -4.194 -1.875
17 2HB GLN 44 3HB GLN 44 3.984 -2.896 -2.999
18 1HG GLN 44 2HG GLN 44 4.519 -1.209 -1.247
19 2HG GLN 44 3HG GLN 44 4.818 -2.489 -0.087
20 1HE2 GLN 44 1HE2 GLN 44 6.258 -4.323 -1.257
21 2HE2 GLN 44 2HE2 GLN 44 7.761 -3.732 -1.881
22 H ILE 45 H ILE 45 0.806 -2.736 0.476
23 HA ILE 45 HA ILE 45 1.890 -4.981 2.034
24 HB ILE 45 HB ILE 45 1.743 -2.305 2.721
25 1HG1 ILE 45 2HG1 ILE 45 2.302 -3.174 5.019
26 2HG1 ILE 45 3HG1 ILE 45 1.991 -4.794 4.429
27 1HG2 ILE 45 1HG2 ILE 45 0.089 -2.025 4.391
28 2HG2 ILE 45 2HG2 ILE 45 -0.750 -2.653 2.952
29 3HG2 ILE 45 3HG2 ILE 45 -0.388 -3.738 4.315
30 1HD1 ILE 45 1HD1 ILE 45 4.401 -4.274 4.290
31 2HD1 ILE 45 2HD1 ILE 45 3.723 -4.492 2.659
32 3HD1 ILE 45 3HD1 ILE 45 4.048 -2.855 3.276
33 H LYS 46 H LYS 46 -0.509 -4.222 -0.074
34 HA LYS 46 HA LYS 46 -2.448 -5.854 1.414
35 1HB LYS 46 2HB LYS 46 -4.249 -4.601 0.461
36 2HB LYS 46 3HB LYS 46 -3.146 -3.472 1.220
37 1HG LYS 46 2HG LYS 46 -2.256 -2.739 -0.877
38 2HG LYS 46 3HG LYS 46 -2.876 -4.137 -1.733
39 1HD LYS 46 2HD LYS 46 -4.993 -2.553 -0.386
40 2HD LYS 46 3HD LYS 46 -4.115 -1.643 -1.600
41 1HE LYS 46 2HE LYS 46 -5.186 -2.738 -3.276
42 2HE LYS 46 3HE LYS 46 -4.671 -4.292 -2.651
43 1HZ LYS 46 1HZ LYS 46 -6.540 -3.878 -0.959
44 2HZ LYS 46 2HZ LYS 46 -7.112 -2.822 -2.065
45 3HZ LYS 46 3HZ LYS 46 -6.925 -4.395 -2.459
46 H ILE 47 H ILE 47 -0.173 -5.846 -0.990
47 HA ILE 47 HA ILE 47 -1.796 -7.609 -2.689
48 HB ILE 47 HB ILE 47 0.207 -7.104 -4.299
49 1HG1 ILE 47 2HG1 ILE 47 1.011 -4.766 -4.058
50 2HG1 ILE 47 3HG1 ILE 47 0.249 -4.676 -2.483
51 1HG2 ILE 47 1HG2 ILE 47 -1.354 -4.723 -4.451
52 2HG2 ILE 47 2HG2 ILE 47 -1.478 -6.208 -5.424
53 3HG2 ILE 47 3HG2 ILE 47 -2.411 -6.053 -3.916
54 1HD1 ILE 47 1HD1 ILE 47 2.844 -5.551 -2.968
55 2HD1 ILE 47 2HD1 ILE 47 1.915 -5.865 -1.483
56 3HD1 ILE 47 3HD1 ILE 47 1.944 -7.077 -2.786
57 H TRP 48 H TRP 48 0.972 -7.266 -0.548
58 HA TRP 48 HA TRP 48 2.117 -9.781 -1.406
59 1HB TRP 48 2HB TRP 48 3.161 -7.483 -0.323
60 2HB TRP 48 3HB TRP 48 3.108 -8.550 1.067
61 HD1 TRP 48 HD1 TRP 48 5.225 -7.822 -1.913
62 HE1 TRP 48 HE1 TRP 48 7.179 -9.564 -2.247
63 HE3 TRP 48 HE3 TRP 48 3.433 -11.254 1.382
64 HZ2 TRP 48 HZ2 TRP 48 7.742 -12.125 -1.121
65 HZ3 TRP 48 HZ3 TRP 48 4.745 -13.348 1.707
66 HH2 TRP 48 HH2 TRP 48 6.832 -13.810 0.520
67 H PHE 49 H PHE 49 0.000 -8.375 1.093
68 HA PHE 49 HA PHE 49 0.147 -10.497 2.915
69 1HB PHE 49 2HB PHE 49 -1.320 -9.057 4.002
70 2HB PHE 49 3HB PHE 49 -1.046 -7.970 2.654
71 HD1 PHE 49 HD1 PHE 49 -2.623 -8.174 0.635
72 HD2 PHE 49 HD2 PHE 49 -3.459 -9.901 4.420
73 HE1 PHE 49 HE1 PHE 49 -5.058 -8.296 0.041
74 HE2 PHE 49 HE2 PHE 49 -5.895 -10.023 3.826
75 HZ PHE 49 HZ PHE 49 -6.665 -9.219 1.644
76 H GLN 50 H GLN 50 -1.906 -9.871 0.027
77 HA GLN 50 HA GLN 50 -3.666 -11.979 0.541
78 1HB GLN 50 2HB GLN 50 -4.463 -10.329 -0.947
79 2HB GLN 50 3HB GLN 50 -2.979 -10.301 -1.877
80 1HG GLN 50 2HG GLN 50 -4.297 -12.957 -1.864
81 2HG GLN 50 3HG GLN 50 -5.294 -11.697 -2.563
82 1HE2 GLN 50 1HE2 GLN 50 -2.526 -13.691 -2.894
83 2HE2 GLN 50 2HE2 GLN 50 -2.004 -13.182 -4.465
84 H ASN 51 H ASN 51 -0.489 -11.725 -1.049
85 HA ASN 51 HA ASN 51 -0.570 -14.071 -2.481
86 1HB ASN 51 2HB ASN 51 1.569 -12.300 -1.325
87 2HB ASN 51 3HB ASN 51 2.079 -13.916 -1.775
88 1HD2 ASN 51 1HD2 ASN 51 1.056 -10.815 -2.842
89 2HD2 ASN 51 2HD2 ASN 51 1.223 -11.045 -4.550
90 H ARG 52 H ARG 52 0.554 -13.321 0.893
91 HA ARG 52 HA ARG 52 1.275 -15.983 1.418
92 1HB ARG 52 2HB ARG 52 2.015 -13.728 2.585
93 2HB ARG 52 3HB ARG 52 0.578 -13.945 3.564
94 1HG ARG 52 2HG ARG 52 1.991 -15.167 4.900
95 2HG ARG 52 3HG ARG 52 1.619 -16.456 3.773
96 1HD ARG 52 2HD ARG 52 3.953 -16.528 3.716
97 2HD ARG 52 3HD ARG 52 3.651 -15.435 2.381
98 HE ARG 52 HE ARG 52 4.466 -13.626 3.671
99 1HH1 ARG 52 2HH2 ARG 52 4.144 -16.512 5.658
100 2HH1 ARG 52 1HH2 ARG 52 5.035 -15.851 6.988
101 1HH2 ARG 52 2HH1 ARG 52 5.642 -12.753 5.425
102 2HH2 ARG 52 1HH1 ARG 52 5.892 -13.698 6.855
103 H ARG 53 H ARG 53 -1.719 -14.171 1.439
104 HA ARG 53 HA ARG 53 -2.998 -15.816 3.359
105 1HB ARG 53 2HB ARG 53 -3.548 -13.357 1.992
106 2HB ARG 53 3HB ARG 53 -4.861 -14.443 1.582
107 1HG ARG 53 2HG ARG 53 -3.932 -13.672 4.385
108 2HG ARG 53 3HG ARG 53 -5.452 -13.241 3.627
109 1HD ARG 53 2HD ARG 53 -5.306 -16.084 3.466
110 2HD ARG 53 3HD ARG 53 -4.756 -15.678 5.080
111 HE ARG 53 HE ARG 53 -6.916 -14.935 5.618
112 1HH1 ARG 53 2HH2 ARG 53 -6.630 -15.276 2.128
113 2HH1 ARG 53 1HH2 ARG 53 -8.321 -15.030 1.837
114 1HH2 ARG 53 2HH1 ARG 53 -9.145 -14.610 5.235
115 2HH2 ARG 53 1HH1 ARG 53 -9.760 -14.647 3.617
116 H MET 54 H MET 54 -2.149 -16.093 0.023
117 HA MET 54 HA MET 54 -4.153 -18.194 -0.288
118 1HB MET 54 2HB MET 54 -3.149 -16.027 -2.127
119 2HB MET 54 3HB MET 54 -3.440 -17.586 -2.873
120 1HG MET 54 2HG MET 54 -5.771 -17.595 -2.006
121 2HG MET 54 3HG MET 54 -5.490 -16.075 -1.180
122 1HE MET 54 1HE MET 54 -7.725 -15.663 -2.425
123 2HE MET 54 2HE MET 54 -7.833 -15.068 -4.099
124 3HE MET 54 3HE MET 54 -7.754 -16.817 -3.778
125 H LYS 55 H LYS 55 -1.578 -18.547 0.986
126 HA LYS 55 HA LYS 55 -0.260 -20.194 -1.061
127 1HB LYS 55 2HB LYS 55 0.822 -18.009 0.363
128 2HB LYS 55 3HB LYS 55 1.511 -19.440 1.100
129 1HG LYS 55 2HG LYS 55 1.683 -20.099 -1.579
130 2HG LYS 55 3HG LYS 55 1.886 -18.359 -1.652
131 1HD LYS 55 2HD LYS 55 3.714 -18.502 0.053
132 2HD LYS 55 3HD LYS 55 3.511 -20.240 0.126
133 1HE LYS 55 2HE LYS 55 3.883 -20.123 -2.502
134 2HE LYS 55 3HE LYS 55 4.590 -18.559 -2.153
135 1HZ LYS 55 1HZ LYS 55 5.415 -21.092 -0.913
136 2HZ LYS 55 2HZ LYS 55 6.221 -20.312 -2.099
137 3HZ LYS 55 3HZ LYS 55 6.085 -19.633 -0.620
138 H TRP 56 H TRP 56 -1.047 -19.740 2.438
139 HA TRP 56 HA TRP 56 -0.155 -22.088 3.453
140 1HB TRP 56 2HB TRP 56 -2.313 -20.191 4.093
141 2HB TRP 56 3HB TRP 56 -2.550 -21.803 4.738
142 HD1 TRP 56 HD1 TRP 56 0.868 -19.933 4.504
143 HE1 TRP 56 HE1 TRP 56 1.960 -19.695 6.896
144 HE3 TRP 56 HE3 TRP 56 -3.039 -21.942 7.065
145 HZ2 TRP 56 HZ2 TRP 56 1.086 -20.360 9.529
146 HZ3 TRP 56 HZ3 TRP 56 -2.838 -22.111 9.544
147 HH2 TRP 56 HH2 TRP 56 -0.865 -21.360 10.776
148 H LYS 57 H LYS 57 -3.369 -21.469 1.863
149 HA LYS 57 HA LYS 57 -4.768 -22.809 0.807
150 1HB LYS 57 2HB LYS 57 -2.146 -23.879 0.165
151 2HB LYS 57 3HB LYS 57 -3.350 -25.151 0.178
152 1HG LYS 57 2HG LYS 57 -4.777 -23.897 -1.383
153 2HG LYS 57 3HG LYS 57 -3.721 -22.501 -1.294
154 1HD LYS 57 2HD LYS 57 -3.003 -23.523 -3.287
155 2HD LYS 57 3HD LYS 57 -1.841 -24.138 -2.128
156 1HE LYS 57 2HE LYS 57 -4.197 -25.860 -2.161
157 2HE LYS 57 3HE LYS 57 -3.595 -25.652 -3.794
158 1HZ LYS 57 1HZ LYS 57 -1.337 -26.058 -2.539
159 2HZ LYS 57 2HZ LYS 57 -2.313 -26.889 -1.527
160 3HZ LYS 57 3HZ LYS 57 -2.246 -27.289 -3.110
161 H LYS 58 H LYS 58 -6.435 -23.734 1.857
162 HA LYS 58 HA LYS 58 -5.815 -25.972 3.635
163 1HB LYS 58 2HB LYS 58 -6.110 -23.638 4.803
164 2HB LYS 58 3HB LYS 58 -7.815 -23.899 4.496
165 1HG LYS 58 2HG LYS 58 -7.453 -24.845 6.653
166 2HG LYS 58 3HG LYS 58 -7.514 -26.229 5.579
167 1HD LYS 58 2HD LYS 58 -5.440 -26.845 6.245
168 2HD LYS 58 3HD LYS 58 -4.787 -25.347 5.611
169 1HE LYS 58 2HE LYS 58 -4.757 -24.310 7.687
170 2HE LYS 58 3HE LYS 58 -6.196 -25.137 8.248
171 1HZ LYS 58 1HZ LYS 58 -4.859 -27.151 8.432
172 2HZ LYS 58 2HZ LYS 58 -3.521 -26.325 7.988
173 3HZ LYS 58 3HZ LYS 58 -4.285 -25.954 9.383
Start of MODEL 18
1 H ARG 43 H ARG 43 2.275 1.311 -1.099
2 HA ARG 43 HA ARG 43 0.851 -0.027 -0.167
3 1HB ARG 43 2HB ARG 43 -0.552 0.652 -2.670
4 2HB ARG 43 3HB ARG 43 -0.992 -0.948 -2.104
5 1HG ARG 43 2HG ARG 43 -1.515 0.002 0.157
6 2HG ARG 43 3HG ARG 43 -1.090 1.601 -0.421
7 1HD ARG 43 2HD ARG 43 -2.968 0.476 -2.300
8 2HD ARG 43 3HD ARG 43 -3.611 0.213 -0.691
9 HE ARG 43 HE ARG 43 -3.813 2.550 -0.385
10 1HH1 ARG 43 2HH2 ARG 43 -2.039 1.845 -3.341
11 2HH1 ARG 43 1HH2 ARG 43 -2.118 3.472 -3.929
12 1HH2 ARG 43 2HH1 ARG 43 -3.918 4.698 -1.159
13 2HH2 ARG 43 1HH1 ARG 43 -3.194 5.106 -2.679
14 H GLN 44 H GLN 44 2.437 -1.695 0.123
15 HA GLN 44 HA GLN 44 2.151 -3.868 -1.799
16 1HB GLN 44 2HB GLN 44 4.509 -4.387 -1.614
17 2HB GLN 44 3HB GLN 44 4.367 -2.686 -2.012
18 1HG GLN 44 2HG GLN 44 4.377 -2.420 0.669
19 2HG GLN 44 3HG GLN 44 5.196 -3.967 0.590
20 1HE2 GLN 44 1HE2 GLN 44 7.108 -4.162 -0.708
21 2HE2 GLN 44 2HE2 GLN 44 8.155 -2.805 -0.957
22 H ILE 45 H ILE 45 1.379 -2.830 1.220
23 HA ILE 45 HA ILE 45 2.062 -5.325 2.566
24 HB ILE 45 HB ILE 45 2.196 -2.761 3.410
25 1HG1 ILE 45 2HG1 ILE 45 2.390 -3.700 5.685
26 2HG1 ILE 45 3HG1 ILE 45 1.679 -5.203 5.133
27 1HG2 ILE 45 1HG2 ILE 45 -0.448 -3.821 4.446
28 2HG2 ILE 45 2HG2 ILE 45 0.396 -2.366 5.028
29 3HG2 ILE 45 3HG2 ILE 45 -0.218 -2.430 3.359
30 1HD1 ILE 45 1HD1 ILE 45 4.431 -4.320 4.927
31 2HD1 ILE 45 2HD1 ILE 45 3.738 -5.908 4.518
32 3HD1 ILE 45 3HD1 ILE 45 3.782 -4.614 3.296
33 H LYS 46 H LYS 46 -0.256 -4.251 0.463
34 HA LYS 46 HA LYS 46 -2.291 -5.919 1.767
35 1HB LYS 46 2HB LYS 46 -4.022 -4.474 0.982
36 2HB LYS 46 3HB LYS 46 -2.856 -3.489 1.842
37 1HG LYS 46 2HG LYS 46 -2.756 -2.172 -0.004
38 2HG LYS 46 3HG LYS 46 -1.883 -3.472 -0.791
39 1HD LYS 46 2HD LYS 46 -3.890 -4.375 -1.773
40 2HD LYS 46 3HD LYS 46 -4.926 -3.425 -0.726
41 1HE LYS 46 2HE LYS 46 -4.638 -1.472 -1.961
42 2HE LYS 46 3HE LYS 46 -3.010 -1.890 -2.457
43 1HZ LYS 46 1HZ LYS 46 -3.862 -3.410 -4.021
44 2HZ LYS 46 2HZ LYS 46 -5.388 -3.297 -3.447
45 3HZ LYS 46 3HZ LYS 46 -4.710 -2.027 -4.220
46 H ILE 47 H ILE 47 0.010 -5.836 -0.570
47 HA ILE 47 HA ILE 47 -1.702 -7.238 -2.503
48 HB ILE 47 HB ILE 47 -0.656 -6.231 -4.179
49 1HG1 ILE 47 2HG1 ILE 47 1.392 -7.565 -3.789
50 2HG1 ILE 47 3HG1 ILE 47 1.722 -5.968 -4.431
51 1HG2 ILE 47 1HG2 ILE 47 0.242 -4.441 -1.908
52 2HG2 ILE 47 2HG2 ILE 47 0.346 -4.007 -3.631
53 3HG2 ILE 47 3HG2 ILE 47 -1.241 -4.306 -2.883
54 1HD1 ILE 47 1HD1 ILE 47 3.031 -5.490 -2.650
55 2HD1 ILE 47 2HD1 ILE 47 1.671 -5.794 -1.543
56 3HD1 ILE 47 3HD1 ILE 47 2.741 -7.132 -2.028
57 H TRP 48 H TRP 48 1.192 -7.315 -0.435
58 HA TRP 48 HA TRP 48 2.030 -9.861 -1.495
59 1HB TRP 48 2HB TRP 48 3.185 -7.751 0.045
60 2HB TRP 48 3HB TRP 48 3.309 -9.236 0.968
61 HD1 TRP 48 HD1 TRP 48 5.677 -7.556 -0.826
62 HE1 TRP 48 HE1 TRP 48 7.310 -8.949 -2.362
63 HE3 TRP 48 HE3 TRP 48 2.735 -11.694 -1.096
64 HZ2 TRP 48 HZ2 TRP 48 7.189 -11.567 -3.491
65 HZ3 TRP 48 HZ3 TRP 48 3.566 -13.625 -2.436
66 HH2 TRP 48 HH2 TRP 48 5.711 -13.607 -3.609
67 H PHE 49 H PHE 49 -0.002 -8.503 1.067
68 HA PHE 49 HA PHE 49 0.002 -10.789 2.724
69 1HB PHE 49 2HB PHE 49 -1.172 -9.244 3.989
70 2HB PHE 49 3HB PHE 49 -0.981 -8.119 2.659
71 HD1 PHE 49 HD1 PHE 49 -2.787 -7.946 0.932
72 HD2 PHE 49 HD2 PHE 49 -3.286 -10.202 4.491
73 HE1 PHE 49 HE1 PHE 49 -5.275 -7.916 0.601
74 HE2 PHE 49 HE2 PHE 49 -5.774 -10.172 4.161
75 HZ PHE 49 HZ PHE 49 -6.739 -9.029 2.220
76 H GLN 50 H GLN 50 -2.031 -9.650 -0.018
77 HA GLN 50 HA GLN 50 -3.869 -11.793 0.353
78 1HB GLN 50 2HB GLN 50 -5.076 -10.843 -1.476
79 2HB GLN 50 3HB GLN 50 -4.424 -9.480 -0.590
80 1HG GLN 50 2HG GLN 50 -3.380 -8.768 -2.469
81 2HG GLN 50 3HG GLN 50 -2.407 -10.226 -2.471
82 1HE2 GLN 50 1HE2 GLN 50 -3.126 -12.076 -3.599
83 2HE2 GLN 50 2HE2 GLN 50 -4.227 -11.964 -4.931
84 H ASN 51 H ASN 51 -0.759 -11.419 -1.059
85 HA ASN 51 HA ASN 51 -1.198 -13.336 -3.131
86 1HB ASN 51 2HB ASN 51 1.055 -11.599 -2.177
87 2HB ASN 51 3HB ASN 51 1.542 -13.101 -2.934
88 1HD2 ASN 51 1HD2 ASN 51 1.437 -10.098 -3.640
89 2HD2 ASN 51 2HD2 ASN 51 0.830 -10.055 -5.261
90 H ARG 52 H ARG 52 0.002 -13.120 0.217
91 HA ARG 52 HA ARG 52 1.069 -15.789 0.074
92 1HB ARG 52 2HB ARG 52 2.145 -13.778 1.347
93 2HB ARG 52 3HB ARG 52 0.899 -14.022 2.555
94 1HG ARG 52 2HG ARG 52 2.138 -15.675 3.485
95 2HG ARG 52 3HG ARG 52 1.985 -16.610 2.011
96 1HD ARG 52 2HD ARG 52 4.346 -16.365 2.364
97 2HD ARG 52 3HD ARG 52 3.956 -15.250 1.069
98 HE ARG 52 HE ARG 52 3.665 -13.678 3.318
99 1HH1 ARG 52 2HH2 ARG 52 6.254 -15.756 2.150
100 2HH1 ARG 52 1HH2 ARG 52 7.511 -14.825 2.897
101 1HH2 ARG 52 2HH1 ARG 52 5.323 -12.451 4.304
102 2HH2 ARG 52 1HH1 ARG 52 6.977 -12.934 4.131
103 H ARG 53 H ARG 53 -1.856 -14.106 0.875
104 HA ARG 53 HA ARG 53 -2.806 -15.562 2.976
105 1HB ARG 53 2HB ARG 53 -3.773 -13.521 1.441
106 2HB ARG 53 3HB ARG 53 -4.748 -14.828 0.798
107 1HG ARG 53 2HG ARG 53 -4.669 -15.020 3.704
108 2HG ARG 53 3HG ARG 53 -5.143 -13.397 3.241
109 1HD ARG 53 2HD ARG 53 -7.240 -14.234 2.933
110 2HD ARG 53 3HD ARG 53 -6.623 -14.987 1.476
111 HE ARG 53 HE ARG 53 -6.607 -17.071 2.566
112 1HH1 ARG 53 2HH2 ARG 53 -7.039 -14.500 4.929
113 2HH1 ARG 53 1HH2 ARG 53 -7.406 -15.585 6.230
114 1HH2 ARG 53 2HH1 ARG 53 -7.091 -18.501 4.280
115 2HH2 ARG 53 1HH1 ARG 53 -7.435 -17.875 5.858
116 H MET 54 H MET 54 -2.235 -16.499 -0.343
117 HA MET 54 HA MET 54 -4.092 -18.696 -0.188
118 1HB MET 54 2HB MET 54 -3.057 -17.102 -2.259
119 2HB MET 54 3HB MET 54 -2.160 -18.595 -2.453
120 1HG MET 54 2HG MET 54 -4.832 -19.424 -1.986
121 2HG MET 54 3HG MET 54 -4.979 -18.040 -3.052
122 1HE MET 54 1HE MET 54 -5.533 -18.460 -4.931
123 2HE MET 54 2HE MET 54 -4.420 -18.982 -6.219
124 3HE MET 54 3HE MET 54 -5.615 -20.124 -5.559
125 H LYS 55 H LYS 55 -0.819 -17.991 0.631
126 HA LYS 55 HA LYS 55 0.320 -20.509 0.031
127 1HB LYS 55 2HB LYS 55 1.300 -18.065 0.699
128 2HB LYS 55 3HB LYS 55 1.456 -18.886 2.239
129 1HG LYS 55 2HG LYS 55 3.365 -19.814 1.433
130 2HG LYS 55 3HG LYS 55 2.353 -20.812 0.409
131 1HD LYS 55 2HD LYS 55 3.165 -19.775 -1.433
132 2HD LYS 55 3HD LYS 55 2.548 -18.239 -0.859
133 1HE LYS 55 2HE LYS 55 4.683 -18.172 0.660
134 2HE LYS 55 3HE LYS 55 5.295 -19.452 -0.370
135 1HZ LYS 55 1HZ LYS 55 4.961 -18.014 -2.263
136 2HZ LYS 55 2HZ LYS 55 4.378 -16.822 -1.310
137 3HZ LYS 55 3HZ LYS 55 5.936 -17.292 -1.169
138 H TRP 56 H TRP 56 -1.232 -19.053 2.946
139 HA TRP 56 HA TRP 56 -0.713 -21.013 4.769
140 1HB TRP 56 2HB TRP 56 -2.561 -18.839 4.460
141 2HB TRP 56 3HB TRP 56 -3.402 -20.216 5.145
142 HD1 TRP 56 HD1 TRP 56 0.119 -18.653 5.896
143 HE1 TRP 56 HE1 TRP 56 0.466 -18.390 8.499
144 HE3 TRP 56 HE3 TRP 56 -4.418 -20.526 7.220
145 HZ2 TRP 56 HZ2 TRP 56 -1.161 -18.981 10.769
146 HZ3 TRP 56 HZ3 TRP 56 -4.961 -20.649 9.650
147 HH2 TRP 56 HH2 TRP 56 -3.418 -19.915 11.397
148 H LYS 57 H LYS 57 -3.218 -20.887 2.169
149 HA LYS 57 HA LYS 57 -4.423 -22.466 1.209
150 1HB LYS 57 2HB LYS 57 -2.018 -23.905 2.093
151 2HB LYS 57 3HB LYS 57 -3.414 -24.945 1.888
152 1HG LYS 57 2HG LYS 57 -3.749 -24.164 -0.408
153 2HG LYS 57 3HG LYS 57 -2.530 -22.920 -0.217
154 1HD LYS 57 2HD LYS 57 -1.647 -25.730 0.348
155 2HD LYS 57 3HD LYS 57 -2.016 -25.360 -1.325
156 1HE LYS 57 2HE LYS 57 -0.339 -23.669 -1.458
157 2HE LYS 57 3HE LYS 57 -0.245 -23.490 0.282
158 1HZ LYS 57 1HZ LYS 57 1.491 -24.882 -1.029
159 2HZ LYS 57 2HZ LYS 57 1.029 -25.332 0.471
160 3HZ LYS 57 3HZ LYS 57 0.401 -26.084 -0.836
161 H LYS 58 H LYS 58 -5.880 -24.484 1.716
162 HA LYS 58 HA LYS 58 -6.945 -24.007 4.400
163 1HB LYS 58 2HB LYS 58 -8.198 -25.008 1.836
164 2HB LYS 58 3HB LYS 58 -9.000 -25.139 3.387
165 1HG LYS 58 2HG LYS 58 -9.357 -22.856 3.563
166 2HG LYS 58 3HG LYS 58 -7.858 -22.445 2.753
167 1HD LYS 58 2HD LYS 58 -10.184 -23.702 1.242
168 2HD LYS 58 3HD LYS 58 -10.089 -21.970 1.493
169 1HE LYS 58 2HE LYS 58 -8.265 -21.714 0.067
170 2HE LYS 58 3HE LYS 58 -7.609 -23.296 0.439
171 1HZ LYS 58 1HZ LYS 58 -9.071 -24.302 -1.004
172 2HZ LYS 58 2HZ LYS 58 -10.124 -23.055 -1.025
173 3HZ LYS 58 3HZ LYS 58 -8.696 -22.930 -1.807
Start of MODEL 19
1 H ARG 43 H ARG 43 -1.833 0.279 -5.918
2 HA ARG 43 HA ARG 43 -0.875 0.870 -3.487
3 1HB ARG 43 2HB ARG 43 -3.094 -0.906 -4.487
4 2HB ARG 43 3HB ARG 43 -2.702 -1.019 -2.782
5 1HG ARG 43 2HG ARG 43 -3.207 1.285 -2.385
6 2HG ARG 43 3HG ARG 43 -3.112 1.694 -4.087
7 1HD ARG 43 2HD ARG 43 -5.171 -0.354 -3.286
8 2HD ARG 43 3HD ARG 43 -5.477 1.309 -2.821
9 HE ARG 43 HE ARG 43 -5.463 0.228 -5.552
10 1HH1 ARG 43 2HH2 ARG 43 -5.240 3.135 -3.581
11 2HH1 ARG 43 1HH2 ARG 43 -5.734 4.194 -4.861
12 1HH2 ARG 43 2HH1 ARG 43 -6.114 1.624 -7.240
13 2HH2 ARG 43 1HH1 ARG 43 -6.234 3.329 -6.956
14 H GLN 44 H GLN 44 -0.417 -0.600 -1.552
15 HA GLN 44 HA GLN 44 0.602 -3.192 -2.278
16 1HB GLN 44 2HB GLN 44 2.398 -1.144 -2.347
17 2HB GLN 44 3HB GLN 44 2.500 -1.551 -0.645
18 1HG GLN 44 2HG GLN 44 3.492 -3.589 -1.047
19 2HG GLN 44 3HG GLN 44 2.507 -3.910 -2.461
20 1HE2 GLN 44 1HE2 GLN 44 4.723 -4.694 -3.098
21 2HE2 GLN 44 2HE2 GLN 44 5.757 -3.592 -3.943
22 H ILE 45 H ILE 45 2.162 -3.190 0.362
23 HA ILE 45 HA ILE 45 1.664 -4.105 2.343
24 HB ILE 45 HB ILE 45 1.802 -1.599 2.607
25 1HG1 ILE 45 2HG1 ILE 45 0.796 -1.731 4.985
26 2HG1 ILE 45 3HG1 ILE 45 0.406 -3.394 4.592
27 1HG2 ILE 45 1HG2 ILE 45 -1.181 -1.933 2.507
28 2HG2 ILE 45 2HG2 ILE 45 -0.452 -0.656 3.510
29 3HG2 ILE 45 3HG2 ILE 45 -0.147 -0.695 1.757
30 1HD1 ILE 45 1HD1 ILE 45 3.132 -2.091 4.810
31 2HD1 ILE 45 2HD1 ILE 45 2.542 -3.589 5.569
32 3HD1 ILE 45 3HD1 ILE 45 2.922 -3.563 3.830
33 H LYS 46 H LYS 46 -0.113 -4.975 0.165
34 HA LYS 46 HA LYS 46 -2.093 -6.187 1.797
35 1HB LYS 46 2HB LYS 46 -4.013 -5.115 1.224
36 2HB LYS 46 3HB LYS 46 -2.922 -3.748 1.137
37 1HG LYS 46 2HG LYS 46 -2.653 -4.092 -1.315
38 2HG LYS 46 3HG LYS 46 -3.697 -5.498 -1.245
39 1HD LYS 46 2HD LYS 46 -4.701 -2.832 -0.206
40 2HD LYS 46 3HD LYS 46 -4.703 -3.147 -1.929
41 1HE LYS 46 2HE LYS 46 -6.466 -4.601 -1.784
42 2HE LYS 46 3HE LYS 46 -5.804 -5.406 -0.376
43 1HZ LYS 46 1HZ LYS 46 -7.889 -4.119 -0.031
44 2HZ LYS 46 2HZ LYS 46 -6.685 -3.768 1.014
45 3HZ LYS 46 3HZ LYS 46 -7.023 -2.746 -0.213
46 H ILE 47 H ILE 47 -0.798 -5.348 -1.443
47 HA ILE 47 HA ILE 47 -1.964 -7.507 -2.792
48 HB ILE 47 HB ILE 47 -0.214 -7.052 -4.483
49 1HG1 ILE 47 2HG1 ILE 47 1.188 -4.957 -4.051
50 2HG1 ILE 47 3HG1 ILE 47 0.823 -5.175 -2.350
51 1HG2 ILE 47 1HG2 ILE 47 -1.511 -5.425 -5.274
52 2HG2 ILE 47 2HG2 ILE 47 -2.395 -5.515 -3.732
53 3HG2 ILE 47 3HG2 ILE 47 -1.087 -4.325 -3.940
54 1HD1 ILE 47 1HD1 ILE 47 1.652 -7.716 -3.518
55 2HD1 ILE 47 2HD1 ILE 47 2.868 -6.455 -3.833
56 3HD1 ILE 47 3HD1 ILE 47 2.372 -6.816 -2.162
57 H TRP 48 H TRP 48 0.906 -7.176 -0.718
58 HA TRP 48 HA TRP 48 1.936 -9.749 -1.485
59 1HB TRP 48 2HB TRP 48 2.886 -7.429 -0.121
60 2HB TRP 48 3HB TRP 48 3.069 -8.805 0.950
61 HD1 TRP 48 HD1 TRP 48 5.222 -7.084 -1.237
62 HE1 TRP 48 HE1 TRP 48 7.067 -8.528 -2.452
63 HE3 TRP 48 HE3 TRP 48 2.980 -11.576 -0.438
64 HZ2 TRP 48 HZ2 TRP 48 7.374 -11.325 -2.931
65 HZ3 TRP 48 HZ3 TRP 48 4.117 -13.614 -1.311
66 HH2 TRP 48 HH2 TRP 48 6.241 -13.539 -2.521
67 H PHE 49 H PHE 49 0.091 -8.223 1.217
68 HA PHE 49 HA PHE 49 0.075 -10.412 2.917
69 1HB PHE 49 2HB PHE 49 -1.839 -8.098 2.297
70 2HB PHE 49 3HB PHE 49 -2.178 -9.210 3.608
71 HD1 PHE 49 HD1 PHE 49 0.223 -6.680 2.394
72 HD2 PHE 49 HD2 PHE 49 -1.051 -9.029 5.691
73 HE1 PHE 49 HE1 PHE 49 1.669 -5.315 3.927
74 HE2 PHE 49 HE2 PHE 49 0.394 -7.664 7.223
75 HZ PHE 49 HZ PHE 49 1.737 -5.824 6.323
76 H GLN 50 H GLN 50 -1.831 -9.675 -0.002
77 HA GLN 50 HA GLN 50 -3.610 -11.866 0.589
78 1HB GLN 50 2HB GLN 50 -4.921 -11.089 -1.285
79 2HB GLN 50 3HB GLN 50 -4.447 -9.678 -0.359
80 1HG GLN 50 2HG GLN 50 -3.357 -8.799 -2.142
81 2HG GLN 50 3HG GLN 50 -2.377 -10.244 -2.313
82 1HE2 GLN 50 1HE2 GLN 50 -2.962 -11.865 -3.712
83 2HE2 GLN 50 2HE2 GLN 50 -4.178 -11.691 -4.933
84 H ASN 51 H ASN 51 -0.528 -11.793 -0.347
85 HA ASN 51 HA ASN 51 -0.914 -13.663 -2.544
86 1HB ASN 51 2HB ASN 51 1.357 -11.819 -1.729
87 2HB ASN 51 3HB ASN 51 1.726 -13.243 -2.681
88 1HD2 ASN 51 1HD2 ASN 51 2.097 -10.588 -3.514
89 2HD2 ASN 51 2HD2 ASN 51 1.078 -10.262 -4.877
90 H ARG 52 H ARG 52 0.580 -13.040 0.663
91 HA ARG 52 HA ARG 52 1.948 -15.510 0.717
92 1HB ARG 52 2HB ARG 52 2.684 -13.487 2.010
93 2HB ARG 52 3HB ARG 52 1.234 -13.586 2.989
94 1HG ARG 52 2HG ARG 52 2.935 -14.661 4.284
95 2HG ARG 52 3HG ARG 52 1.962 -15.966 3.634
96 1HD ARG 52 2HD ARG 52 3.800 -15.713 1.614
97 2HD ARG 52 3HD ARG 52 4.777 -15.183 2.970
98 HE ARG 52 HE ARG 52 3.517 -17.501 3.891
99 1HH1 ARG 52 2HH2 ARG 52 5.610 -16.696 1.179
100 2HH1 ARG 52 1HH2 ARG 52 6.312 -18.276 1.085
101 1HH2 ARG 52 2HH1 ARG 52 4.443 -19.587 3.768
102 2HH2 ARG 52 1HH1 ARG 52 5.644 -19.932 2.569
103 H ARG 53 H ARG 53 -1.300 -14.394 1.395
104 HA ARG 53 HA ARG 53 -1.884 -16.467 3.244
105 1HB ARG 53 2HB ARG 53 -3.049 -14.214 3.200
106 2HB ARG 53 3HB ARG 53 -3.790 -14.657 1.676
107 1HG ARG 53 2HG ARG 53 -5.483 -15.544 2.909
108 2HG ARG 53 3HG ARG 53 -4.386 -16.860 3.277
109 1HD ARG 53 2HD ARG 53 -4.307 -16.245 5.463
110 2HD ARG 53 3HD ARG 53 -3.763 -14.637 5.032
111 HE ARG 53 HE ARG 53 -5.985 -13.843 5.176
112 1HH1 ARG 53 2HH2 ARG 53 -5.923 -17.355 5.385
113 2HH1 ARG 53 1HH2 ARG 53 -7.575 -17.480 5.891
114 1HH2 ARG 53 2HH1 ARG 53 -8.164 -14.008 5.842
115 2HH2 ARG 53 1HH1 ARG 53 -8.859 -15.564 6.152
116 H MET 54 H MET 54 -1.710 -16.109 -0.216
117 HA MET 54 HA MET 54 -3.708 -17.697 -1.125
118 1HB MET 54 2HB MET 54 -1.379 -16.484 -2.135
119 2HB MET 54 3HB MET 54 -1.077 -18.184 -2.431
120 1HG MET 54 2HG MET 54 -2.342 -17.919 -4.314
121 2HG MET 54 3HG MET 54 -3.728 -17.934 -3.242
122 1HE MET 54 1HE MET 54 -3.697 -15.116 -1.664
123 2HE MET 54 2HE MET 54 -4.804 -14.365 -2.838
124 3HE MET 54 3HE MET 54 -4.981 -16.087 -2.422
125 H LYS 55 H LYS 55 -0.933 -18.599 0.805
126 HA LYS 55 HA LYS 55 -0.496 -21.196 0.025
127 1HB LYS 55 2HB LYS 55 0.551 -19.581 1.888
128 2HB LYS 55 3HB LYS 55 -0.462 -20.551 2.939
129 1HG LYS 55 2HG LYS 55 0.839 -22.417 2.682
130 2HG LYS 55 3HG LYS 55 1.009 -22.180 0.953
131 1HD LYS 55 2HD LYS 55 2.653 -20.273 1.492
132 2HD LYS 55 3HD LYS 55 2.604 -20.805 3.161
133 1HE LYS 55 2HE LYS 55 4.186 -22.356 2.677
134 2HE LYS 55 3HE LYS 55 3.037 -23.169 1.634
135 1HZ LYS 55 1HZ LYS 55 4.883 -22.610 0.336
136 2HZ LYS 55 2HZ LYS 55 3.722 -21.552 -0.106
137 3HZ LYS 55 3HZ LYS 55 4.936 -21.069 0.873
138 H TRP 56 H TRP 56 -2.916 -19.920 2.404
139 HA TRP 56 HA TRP 56 -4.008 -22.228 3.276
140 1HB TRP 56 2HB TRP 56 -4.700 -19.511 3.254
141 2HB TRP 56 3HB TRP 56 -6.100 -20.345 2.609
142 HD1 TRP 56 HD1 TRP 56 -3.738 -21.248 5.609
143 HE1 TRP 56 HE1 TRP 56 -5.163 -21.820 7.755
144 HE3 TRP 56 HE3 TRP 56 -8.272 -20.416 3.463
145 HZ2 TRP 56 HZ2 TRP 56 -7.963 -21.859 8.302
146 HZ3 TRP 56 HZ3 TRP 56 -10.302 -20.743 4.872
147 HH2 TRP 56 HH2 TRP 56 -10.199 -21.440 7.213
148 H LYS 57 H LYS 57 -4.910 -20.422 0.248
149 HA LYS 57 HA LYS 57 -5.715 -22.998 -0.883
150 1HB LYS 57 2HB LYS 57 -7.367 -20.464 -0.808
151 2HB LYS 57 3HB LYS 57 -7.653 -21.745 -1.969
152 1HG LYS 57 2HG LYS 57 -7.494 -23.200 0.373
153 2HG LYS 57 3HG LYS 57 -8.171 -21.697 0.968
154 1HD LYS 57 2HD LYS 57 -9.813 -21.923 -1.104
155 2HD LYS 57 3HD LYS 57 -9.324 -23.605 -1.085
156 1HE LYS 57 2HE LYS 57 -9.979 -22.636 1.619
157 2HE LYS 57 3HE LYS 57 -11.324 -22.427 0.515
158 1HZ LYS 57 1HZ LYS 57 -11.520 -24.569 1.330
159 2HZ LYS 57 2HZ LYS 57 -10.862 -24.799 -0.147
160 3HZ LYS 57 3HZ LYS 57 -9.928 -24.908 1.188
161 H LYS 58 H LYS 58 -3.683 -23.029 -1.982
162 HA LYS 58 HA LYS 58 -2.680 -20.879 -3.428
163 1HB LYS 58 2HB LYS 58 -2.295 -23.870 -3.626
164 2HB LYS 58 3HB LYS 58 -1.456 -22.757 -4.688
165 1HG LYS 58 2HG LYS 58 0.095 -22.479 -3.057
166 2HG LYS 58 3HG LYS 58 -1.120 -21.633 -2.120
167 1HD LYS 58 2HD LYS 58 -0.371 -23.378 -0.679
168 2HD LYS 58 3HD LYS 58 -1.909 -23.952 -1.293
169 1HE LYS 58 2HE LYS 58 -0.829 -25.830 -1.978
170 2HE LYS 58 3HE LYS 58 -0.063 -24.853 -3.216
171 1HZ LYS 58 1HZ LYS 58 1.264 -24.440 -0.807
172 2HZ LYS 58 2HZ LYS 58 1.130 -26.052 -1.039
173 3HZ LYS 58 3HZ LYS 58 1.839 -25.119 -2.176
Start of MODEL 20
1 H ARG 43 H ARG 43 -0.464 -0.679 1.820
2 HA ARG 43 HA ARG 43 -0.537 0.156 -0.939
3 1HB ARG 43 2HB ARG 43 0.530 1.761 1.315
4 2HB ARG 43 3HB ARG 43 1.707 1.522 0.039
5 1HG ARG 43 2HG ARG 43 0.674 3.328 -0.923
6 2HG ARG 43 3HG ARG 43 -0.485 2.137 -1.479
7 1HD ARG 43 2HD ARG 43 -1.947 2.581 0.458
8 2HD ARG 43 3HD ARG 43 -0.756 3.658 1.158
9 HE ARG 43 HE ARG 43 -1.612 4.395 -1.562
10 1HH1 ARG 43 2HH2 ARG 43 -2.161 4.810 1.889
11 2HH1 ARG 43 1HH2 ARG 43 -2.990 6.320 1.706
12 1HH2 ARG 43 2HH1 ARG 43 -2.704 6.387 -1.805
13 2HH2 ARG 43 1HH1 ARG 43 -3.301 7.223 -0.410
14 H GLN 44 H GLN 44 0.050 -2.111 -1.312
15 HA GLN 44 HA GLN 44 1.647 -3.489 -1.973
16 1HB GLN 44 2HB GLN 44 3.268 -1.433 -1.641
17 2HB GLN 44 3HB GLN 44 3.742 -2.256 -0.168
18 1HG GLN 44 2HG GLN 44 4.056 -4.370 -1.681
19 2HG GLN 44 3HG GLN 44 3.987 -3.255 -3.030
20 1HE2 GLN 44 1HE2 GLN 44 6.183 -4.247 -3.259
21 2HE2 GLN 44 2HE2 GLN 44 7.523 -3.443 -2.512
22 H ILE 45 H ILE 45 0.676 -2.721 1.223
23 HA ILE 45 HA ILE 45 1.805 -5.174 2.324
24 HB ILE 45 HB ILE 45 1.574 -2.687 3.367
25 1HG1 ILE 45 2HG1 ILE 45 1.911 -3.856 5.601
26 2HG1 ILE 45 3HG1 ILE 45 1.682 -5.373 4.756
27 1HG2 ILE 45 1HG2 ILE 45 -0.982 -3.151 3.382
28 2HG2 ILE 45 2HG2 ILE 45 -0.617 -4.161 4.801
29 3HG2 ILE 45 3HG2 ILE 45 -0.213 -2.428 4.815
30 1HD1 ILE 45 1HD1 ILE 45 3.523 -4.524 3.112
31 2HD1 ILE 45 2HD1 ILE 45 3.887 -3.323 4.375
32 3HD1 ILE 45 3HD1 ILE 45 4.034 -5.061 4.729
33 H LYS 46 H LYS 46 -0.797 -4.285 0.451
34 HA LYS 46 HA LYS 46 -2.533 -6.254 1.770
35 1HB LYS 46 2HB LYS 46 -3.502 -4.014 1.771
36 2HB LYS 46 3HB LYS 46 -3.271 -3.875 0.040
37 1HG LYS 46 2HG LYS 46 -5.266 -4.887 -0.307
38 2HG LYS 46 3HG LYS 46 -4.662 -6.340 0.464
39 1HD LYS 46 2HD LYS 46 -5.456 -5.656 2.631
40 2HD LYS 46 3HD LYS 46 -5.694 -4.000 2.112
41 1HE LYS 46 2HE LYS 46 -7.250 -6.350 0.938
42 2HE LYS 46 3HE LYS 46 -7.825 -5.407 2.299
43 1HZ LYS 46 1HZ LYS 46 -6.979 -3.848 0.052
44 2HZ LYS 46 2HZ LYS 46 -8.277 -4.794 -0.241
45 3HZ LYS 46 3HZ LYS 46 -8.319 -3.706 0.975
46 H ILE 47 H ILE 47 -0.559 -5.461 -0.969
47 HA ILE 47 HA ILE 47 -1.947 -7.360 -2.675
48 HB ILE 47 HB ILE 47 -1.056 -6.270 -4.390
49 1HG1 ILE 47 2HG1 ILE 47 1.150 -7.283 -4.039
50 2HG1 ILE 47 3HG1 ILE 47 1.273 -5.640 -4.636
51 1HG2 ILE 47 1HG2 ILE 47 -1.847 -4.477 -2.800
52 2HG2 ILE 47 2HG2 ILE 47 -0.138 -4.210 -2.375
53 3HG2 ILE 47 3HG2 ILE 47 -0.690 -3.951 -4.047
54 1HD1 ILE 47 1HD1 ILE 47 2.513 -5.054 -2.837
55 2HD1 ILE 47 2HD1 ILE 47 1.192 -5.542 -1.749
56 3HD1 ILE 47 3HD1 ILE 47 2.417 -6.732 -2.250
57 H TRP 48 H TRP 48 0.880 -7.041 -0.569
58 HA TRP 48 HA TRP 48 2.011 -9.513 -1.590
59 1HB TRP 48 2HB TRP 48 3.002 -7.183 -0.260
60 2HB TRP 48 3HB TRP 48 3.356 -8.583 0.733
61 HD1 TRP 48 HD1 TRP 48 5.291 -6.721 -1.463
62 HE1 TRP 48 HE1 TRP 48 7.013 -8.031 -2.973
63 HE3 TRP 48 HE3 TRP 48 3.091 -11.274 -0.937
64 HZ2 TRP 48 HZ2 TRP 48 7.258 -10.763 -3.759
65 HZ3 TRP 48 HZ3 TRP 48 4.135 -13.211 -2.108
66 HH2 TRP 48 HH2 TRP 48 6.148 -13.010 -3.481
67 H PHE 49 H PHE 49 -0.278 -8.347 0.735
68 HA PHE 49 HA PHE 49 0.161 -10.441 2.642
69 1HB PHE 49 2HB PHE 49 -0.955 -8.756 3.779
70 2HB PHE 49 3HB PHE 49 -1.355 -7.955 2.273
71 HD1 PHE 49 HD1 PHE 49 -2.458 -10.713 4.507
72 HD2 PHE 49 HD2 PHE 49 -3.561 -7.925 1.505
73 HE1 PHE 49 HE1 PHE 49 -4.869 -11.334 4.817
74 HE2 PHE 49 HE2 PHE 49 -5.973 -8.545 1.815
75 HZ PHE 49 HZ PHE 49 -6.599 -10.242 3.467
76 H GLN 50 H GLN 50 -1.978 -9.786 -0.155
77 HA GLN 50 HA GLN 50 -3.608 -12.047 0.452
78 1HB GLN 50 2HB GLN 50 -4.953 -11.358 -1.356
79 2HB GLN 50 3HB GLN 50 -4.308 -9.847 -0.747
80 1HG GLN 50 2HG GLN 50 -3.594 -9.448 -2.871
81 2HG GLN 50 3HG GLN 50 -2.343 -10.636 -2.564
82 1HE2 GLN 50 1HE2 GLN 50 -2.564 -10.794 -4.944
83 2HE2 GLN 50 2HE2 GLN 50 -3.687 -11.938 -5.602
84 H ASN 51 H ASN 51 -0.583 -11.454 -1.119
85 HA ASN 51 HA ASN 51 -0.820 -13.590 -2.976
86 1HB ASN 51 2HB ASN 51 1.426 -11.764 -2.041
87 2HB ASN 51 3HB ASN 51 1.809 -13.164 -3.022
88 1HD2 ASN 51 1HD2 ASN 51 2.021 -10.296 -3.580
89 2HD2 ASN 51 2HD2 ASN 51 1.121 -9.988 -5.028
90 H ARG 52 H ARG 52 0.443 -12.982 0.319
91 HA ARG 52 HA ARG 52 1.713 -15.549 0.397
92 1HB ARG 52 2HB ARG 52 2.725 -13.543 1.526
93 2HB ARG 52 3HB ARG 52 1.333 -13.440 2.585
94 1HG ARG 52 2HG ARG 52 2.694 -16.107 2.481
95 2HG ARG 52 3HG ARG 52 3.615 -14.810 3.219
96 1HD ARG 52 2HD ARG 52 0.738 -15.466 4.009
97 2HD ARG 52 3HD ARG 52 2.131 -16.151 4.821
98 HE ARG 52 HE ARG 52 2.264 -13.237 4.641
99 1HH1 ARG 52 2HH2 ARG 52 0.972 -15.930 6.501
100 2HH1 ARG 52 1HH2 ARG 52 0.825 -15.016 7.964
101 1HH2 ARG 52 2HH1 ARG 52 2.070 -12.030 6.572
102 2HH2 ARG 52 1HH1 ARG 52 1.454 -12.782 8.005
103 H ARG 53 H ARG 53 -1.358 -14.056 1.163
104 HA ARG 53 HA ARG 53 -2.080 -15.815 3.225
105 1HB ARG 53 2HB ARG 53 -3.189 -13.633 2.966
106 2HB ARG 53 3HB ARG 53 -3.737 -14.052 1.356
107 1HG ARG 53 2HG ARG 53 -5.544 -15.186 2.154
108 2HG ARG 53 3HG ARG 53 -4.573 -16.079 3.307
109 1HD ARG 53 2HD ARG 53 -4.696 -14.292 4.943
110 2HD ARG 53 3HD ARG 53 -5.344 -13.165 3.769
111 HE ARG 53 HE ARG 53 -6.834 -15.235 5.210
112 1HH1 ARG 53 2HH2 ARG 53 -6.795 -13.174 2.358
113 2HH1 ARG 53 1HH2 ARG 53 -8.510 -13.239 2.131
114 1HH2 ARG 53 2HH1 ARG 53 -9.098 -15.321 4.910
115 2HH2 ARG 53 1HH1 ARG 53 -9.829 -14.469 3.592
116 H MET 54 H MET 54 -1.954 -16.008 -0.269
117 HA MET 54 HA MET 54 -4.022 -17.784 -0.726
118 1HB MET 54 2HB MET 54 -2.486 -16.449 -2.376
119 2HB MET 54 3HB MET 54 -1.334 -17.757 -2.190
120 1HG MET 54 2HG MET 54 -2.458 -18.935 -3.771
121 2HG MET 54 3HG MET 54 -3.843 -19.016 -2.701
122 1HE MET 54 1HE MET 54 -2.697 -15.893 -5.699
123 2HE MET 54 2HE MET 54 -1.876 -17.399 -5.222
124 3HE MET 54 3HE MET 54 -3.142 -17.434 -6.472
125 H LYS 55 H LYS 55 -0.931 -18.210 0.849
126 HA LYS 55 HA LYS 55 -0.177 -20.733 0.313
127 1HB LYS 55 2HB LYS 55 0.909 -19.146 1.893
128 2HB LYS 55 3HB LYS 55 -0.332 -19.498 3.079
129 1HG LYS 55 2HG LYS 55 0.359 -22.029 2.643
130 2HG LYS 55 3HG LYS 55 1.833 -21.326 2.005
131 1HD LYS 55 2HD LYS 55 0.826 -20.377 4.694
132 2HD LYS 55 3HD LYS 55 1.611 -21.941 4.599
133 1HE LYS 55 2HE LYS 55 3.603 -20.855 4.709
134 2HE LYS 55 3HE LYS 55 3.296 -20.259 3.090
135 1HZ LYS 55 1HZ LYS 55 2.219 -18.357 4.020
136 2HZ LYS 55 2HZ LYS 55 2.375 -18.928 5.542
137 3HZ LYS 55 3HZ LYS 55 3.701 -18.497 4.692
138 H TRP 56 H TRP 56 -2.829 -19.755 2.581
139 HA TRP 56 HA TRP 56 -3.545 -22.171 3.559
140 1HB TRP 56 2HB TRP 56 -4.971 -19.653 2.938
141 2HB TRP 56 3HB TRP 56 -5.982 -21.066 3.168
142 HD1 TRP 56 HD1 TRP 56 -4.831 -18.351 5.188
143 HE1 TRP 56 HE1 TRP 56 -4.625 -18.861 7.770
144 HE3 TRP 56 HE3 TRP 56 -4.929 -23.415 4.732
145 HZ2 TRP 56 HZ2 TRP 56 -4.529 -21.269 9.296
146 HZ3 TRP 56 HZ3 TRP 56 -4.774 -24.771 6.817
147 HH2 TRP 56 HH2 TRP 56 -4.580 -23.778 9.041
148 H LYS 57 H LYS 57 -4.541 -20.691 0.395
149 HA LYS 57 HA LYS 57 -5.851 -23.131 -0.383
150 1HB LYS 57 2HB LYS 57 -5.373 -20.490 -1.788
151 2HB LYS 57 3HB LYS 57 -6.212 -21.841 -2.525
152 1HG LYS 57 2HG LYS 57 -8.118 -21.131 -1.523
153 2HG LYS 57 3HG LYS 57 -7.417 -21.571 0.022
154 1HD LYS 57 2HD LYS 57 -7.783 -19.331 0.457
155 2HD LYS 57 3HD LYS 57 -6.192 -19.185 -0.261
156 1HE LYS 57 2HE LYS 57 -7.480 -17.563 -1.424
157 2HE LYS 57 3HE LYS 57 -7.416 -18.913 -2.539
158 1HZ LYS 57 1HZ LYS 57 -9.656 -17.775 -1.828
159 2HZ LYS 57 2HZ LYS 57 -9.580 -19.358 -2.224
160 3HZ LYS 57 3HZ LYS 57 -9.600 -18.909 -0.654
161 H LYS 58 H LYS 58 -4.169 -24.702 -0.307
162 HA LYS 58 HA LYS 58 -2.561 -25.938 -1.177
163 1HB LYS 58 2HB LYS 58 -3.300 -24.275 -3.569
164 2HB LYS 58 3HB LYS 58 -1.922 -25.353 -3.658
165 1HG LYS 58 2HG LYS 58 -3.282 -27.151 -3.896
166 2HG LYS 58 3HG LYS 58 -4.102 -26.777 -2.393
167 1HD LYS 58 2HD LYS 58 -5.531 -25.099 -3.636
168 2HD LYS 58 3HD LYS 58 -4.756 -25.588 -5.130
169 1HE LYS 58 2HE LYS 58 -5.631 -27.852 -4.946
170 2HE LYS 58 3HE LYS 58 -6.173 -27.578 -3.303
171 1HZ LYS 58 1HZ LYS 58 -7.700 -25.918 -4.163
172 2HZ LYS 58 2HZ LYS 58 -7.215 -26.220 -5.692
173 3HZ LYS 58 3HZ LYS 58 -7.981 -27.380 -4.834