Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538136 | 2lj9 RC | 17926 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 57 1H SER 57 -11.848 -0.940 3.685
2 HA SER 57 HA SER 57 -12.539 1.305 5.440
3 HB3 SER 57 HB2 SER 57 -9.788 1.381 4.960
4 HG SER 57 HG SER 57 -11.328 0.640 7.220
5 H ASP 58 H ASP 58 -10.972 3.143 4.507
6 HA ASP 58 HA ASP 58 -11.971 3.789 1.957
7 HB3 ASP 58 HB2 ASP 58 -9.531 5.223 2.583
8 HA PRO 59 HA PRO 59 -9.372 1.991 -1.090
9 HB3 PRO 59 HB2 PRO 59 -9.080 3.445 -2.853
10 HG3 PRO 59 HG2 PRO 59 -11.306 3.798 -2.280
11 HD3 PRO 59 2HD PRO 59 -11.934 4.282 -0.119
12 H LEU 60 H LEU 60 -8.081 4.001 1.280
13 HA LEU 60 HA LEU 60 -5.343 3.959 0.608
14 HB3 LEU 60 HB2 LEU 60 -6.721 4.243 3.275
15 HG LEU 60 HG LEU 60 -4.192 3.609 3.332
16 HD11 LEU 60 1HD1 LEU 60 -3.688 5.310 1.518
17 HD12 LEU 60 2HD1 LEU 60 -2.647 5.337 2.941
18 HD13 LEU 60 3HD1 LEU 60 -3.919 6.545 2.756
19 HD21 LEU 60 3HD2 LEU 60 -4.607 6.122 4.809
20 HD22 LEU 60 1HD2 LEU 60 -4.153 4.521 5.392
21 HD23 LEU 60 2HD2 LEU 60 -5.843 4.884 5.040
22 H GLU 61 H GLU 61 -7.341 1.816 2.599
23 HA GLU 61 HA GLU 61 -5.216 0.167 3.468
24 HB3 GLU 61 HB2 GLU 61 -8.096 -0.671 3.185
25 HG3 GLU 61 HG2 GLU 61 -5.832 -1.546 4.933
26 H GLU 62 H GLU 62 -7.676 -0.351 0.963
27 HA GLU 62 HA GLU 62 -6.701 -2.787 0.019
28 HB3 GLU 62 HB2 GLU 62 -7.789 -2.042 -2.187
29 HG3 GLU 62 HG2 GLU 62 -9.567 -1.901 0.237
30 H TYR 63 H TYR 63 -5.606 0.474 -0.532
31 HA TYR 63 HA TYR 63 -4.123 0.006 -2.884
32 HB3 TYR 63 HB2 TYR 63 -2.652 1.877 -1.510
33 HD1 TYR 63 1HD TYR 63 -6.042 1.753 -3.093
34 HD2 TYR 63 2HD TYR 63 -2.165 3.494 -3.045
35 HE1 TYR 63 1HE TYR 63 -6.604 3.047 -5.104
36 HE2 TYR 63 2HE TYR 63 -2.710 4.791 -5.049
37 HH TYR 63 HH TYR 63 -4.241 4.759 -6.911
38 H CYS 64 H CYS 64 -2.928 0.336 0.464
39 HA CYS 64 HA CYS 64 -0.390 -0.550 -0.111
40 HB3 CYS 64 HB2 CYS 64 -0.513 -1.382 2.436
41 H LYS 65 H LYS 65 -3.273 -2.323 -0.141
42 HA LYS 65 HA LYS 65 -1.977 -4.888 0.240
43 HB3 LYS 65 HB2 LYS 65 -4.782 -4.099 -0.574
44 HG3 LYS 65 HG2 LYS 65 -4.151 -6.876 0.265
45 HD3 LYS 65 HD2 LYS 65 -6.473 -6.125 0.033
46 HE3 LYS 65 2HE LYS 65 -5.492 -4.821 -2.271
47 HZ1 LYS 65 3HZ LYS 65 -7.268 -5.565 -3.844
48 HZ2 LYS 65 1HZ LYS 65 -7.480 -6.936 -2.875
49 HZ3 LYS 65 2HZ LYS 65 -5.997 -6.662 -3.641
50 H ASP 66 H ASP 66 -3.275 -2.862 -2.368
51 HA ASP 66 HA ASP 66 -2.345 -4.749 -4.397
52 HB3 ASP 66 HB2 ASP 66 -3.634 -3.244 -5.927
53 H ASN 67 H ASN 67 -0.825 -2.219 -2.883
54 HA ASN 67 HA ASN 67 0.220 -1.005 -5.276
55 HB3 ASN 67 HB2 ASN 67 1.385 0.466 -3.535
56 HD21 ASN 67 1HD2 ASN 67 -1.986 -0.371 -3.386
57 HD22 ASN 67 2HD2 ASN 67 -2.573 1.077 -4.095
58 HA PRO 68 HA PRO 68 3.554 -4.130 -5.151
59 HB3 PRO 68 HB2 PRO 68 3.834 -4.406 -7.375
60 HG3 PRO 68 HG2 PRO 68 1.920 -3.784 -8.387
61 HD3 PRO 68 HD2 PRO 68 0.662 -3.582 -6.489
62 H GLU 69 H GLU 69 3.420 -0.663 -5.402
63 HA GLU 69 HA GLU 69 6.209 -0.432 -4.490
64 HB3 GLU 69 HB2 GLU 69 5.795 0.830 -6.513
65 HG3 GLU 69 HG2 GLU 69 4.054 2.877 -5.525
66 H THR 70 H THR 70 2.881 0.325 -3.773
67 HA THR 70 HA THR 70 3.661 1.440 -1.151
68 HB THR 70 HB THR 70 0.866 1.859 -1.881
69 HG1 THR 70 1HG THR 70 1.087 2.868 -3.716
70 HG21 THR 70 3HG2 THR 70 2.596 4.194 -1.664
71 HG22 THR 70 1HG2 THR 70 2.681 3.108 -0.277
72 HG23 THR 70 2HG2 THR 70 1.128 3.775 -0.781
73 H ASN 71 H ASN 71 2.674 -1.357 -2.479
74 HA ASN 71 HA ASN 71 0.940 -2.094 -0.264
75 HB3 ASN 71 HB2 ASN 71 1.142 -3.117 -2.892
76 HD21 ASN 71 1HD2 ASN 71 3.640 -3.752 -2.273
77 HD22 ASN 71 2HD2 ASN 71 3.834 -5.466 -2.150
78 H GLU 72 H GLU 72 4.000 -1.673 -1.240
79 HA GLU 72 HA GLU 72 5.250 -3.531 0.676
80 HB3 GLU 72 HB2 GLU 72 7.253 -3.244 -0.439
81 HG3 GLU 72 HG2 GLU 72 6.865 -2.700 -2.917
82 H CYS 73 H CYS 73 3.712 -0.739 0.494
83 HA CYS 73 HA CYS 73 5.162 1.251 1.453
84 HB3 CYS 73 HB2 CYS 73 2.730 1.379 0.915
85 H ARG 74 H ARG 74 3.989 -1.508 3.127
86 HA ARG 74 HA ARG 74 4.438 -0.645 5.799
87 HB3 ARG 74 HB2 ARG 74 4.248 -3.428 4.635
88 HG3 ARG 74 HG2 ARG 74 4.781 -2.551 7.359
89 HD3 ARG 74 HD2 ARG 74 2.475 -4.420 6.821
90 HE ARG 74 HE ARG 74 3.215 -5.348 8.777
91 HH11 ARG 74 1HH1 ARG 74 3.529 -1.878 8.987
92 HH12 ARG 74 2HH1 ARG 74 3.964 -1.894 10.663
93 HH21 ARG 74 1HH2 ARG 74 3.784 -5.371 10.980
94 HH22 ARG 74 2HH2 ARG 74 4.109 -3.878 11.795
95 H THR 75 H THR 75 6.422 -2.251 3.393
96 HA THR 75 HA THR 75 8.618 -2.549 5.292
97 HB THR 75 HB THR 75 8.960 -3.266 2.429
98 HG1 THR 75 1HG THR 75 7.146 -4.542 4.177
99 HG21 THR 75 3HG2 THR 75 10.266 -4.994 3.195
100 HG22 THR 75 1HG2 THR 75 9.452 -5.058 4.757
101 HG23 THR 75 2HG2 THR 75 10.569 -3.742 4.399
102 H TYR 76 H TYR 76 8.326 -1.333 1.947
103 HA TYR 76 HA TYR 76 10.575 0.458 2.427
104 HB3 TYR 76 HB2 TYR 76 9.031 -0.016 -0.130
105 HD1 TYR 76 1HD TYR 76 12.590 0.534 0.855
106 HD2 TYR 76 2HD TYR 76 9.286 1.849 -1.481
107 HE1 TYR 76 1HE TYR 76 14.025 2.221 -0.213
108 HE2 TYR 76 2HE TYR 76 10.712 3.540 -2.556
109 HH TYR 76 HH TYR 76 13.320 3.744 -2.989
110 H ASP 77 H ASP 77 10.390 2.686 1.441
111 HA ASP 77 HA ASP 77 7.873 3.889 2.354
112 HB3 ASP 77 HB2 ASP 77 9.917 5.837 1.809
113 H ASN 78 H ASN 78 6.677 5.234 1.068
114 HA ASN 78 HA ASN 78 7.644 5.811 -1.633
115 HB3 ASN 78 HB2 ASN 78 4.827 5.031 -1.629
116 HD21 ASN 78 1HD2 ASN 78 7.775 3.343 -2.603
117 HD22 ASN 78 2HD2 ASN 78 7.528 3.525 -4.303
Start of MODEL 2
1 H SER 57 1H SER 57 -12.681 -0.516 5.437
2 HA SER 57 HA SER 57 -11.366 0.329 7.387
3 HB3 SER 57 HB2 SER 57 -8.818 -0.146 6.301
4 HG SER 57 HG SER 57 -9.530 -0.020 8.556
5 H ASP 58 H ASP 58 -9.368 1.883 6.742
6 HA ASP 58 HA ASP 58 -10.409 3.730 4.900
7 HB3 ASP 58 HB2 ASP 58 -7.546 4.025 5.256
8 HA PRO 59 HA PRO 59 -9.138 2.623 0.845
9 HB3 PRO 59 HB2 PRO 59 -8.581 4.504 -0.362
10 HG3 PRO 59 HG2 PRO 59 -10.414 5.228 0.874
11 HD3 PRO 59 2HD PRO 59 -10.504 4.972 3.160
12 H LEU 60 H LEU 60 -6.864 3.074 3.289
13 HA LEU 60 HA LEU 60 -4.442 2.574 2.001
14 HB3 LEU 60 HB2 LEU 60 -5.323 1.858 4.796
15 HG LEU 60 HG LEU 60 -3.171 0.697 3.934
16 HD11 LEU 60 1HD1 LEU 60 -2.501 3.149 3.070
17 HD12 LEU 60 2HD1 LEU 60 -1.321 1.911 3.500
18 HD13 LEU 60 3HD1 LEU 60 -1.741 3.170 4.661
19 HD21 LEU 60 3HD2 LEU 60 -3.585 2.235 6.449
20 HD22 LEU 60 1HD2 LEU 60 -2.019 1.472 6.167
21 HD23 LEU 60 2HD2 LEU 60 -3.484 0.493 6.193
22 H GLU 61 H GLU 61 -7.011 0.416 2.970
23 HA GLU 61 HA GLU 61 -5.587 -2.003 2.844
24 HB3 GLU 61 HB2 GLU 61 -8.381 -2.164 1.978
25 HG3 GLU 61 HG2 GLU 61 -7.346 -3.129 4.601
26 H GLU 62 H GLU 62 -7.655 -0.459 0.418
27 HA GLU 62 HA GLU 62 -7.096 -2.295 -1.641
28 HB3 GLU 62 HB2 GLU 62 -7.832 -0.415 -3.167
29 HG3 GLU 62 HG2 GLU 62 -9.365 -2.108 -1.807
30 H TYR 63 H TYR 63 -5.401 0.429 -0.395
31 HA TYR 63 HA TYR 63 -3.835 1.025 -2.620
32 HB3 TYR 63 HB2 TYR 63 -2.159 1.576 -0.560
33 HD1 TYR 63 1HD TYR 63 -2.473 2.609 -3.094
34 HD2 TYR 63 2HD TYR 63 -4.550 3.774 0.420
35 HE1 TYR 63 1HE TYR 63 -2.911 4.780 -4.097
36 HE2 TYR 63 2HE TYR 63 -4.999 5.971 -0.570
37 HH TYR 63 HH TYR 63 -4.143 7.437 -2.288
38 H CYS 64 H CYS 64 -2.852 -0.942 0.220
39 HA CYS 64 HA CYS 64 -0.533 -1.820 -1.091
40 HB3 CYS 64 HB2 CYS 64 -0.877 -3.859 0.632
41 H LYS 65 H LYS 65 -3.830 -2.662 -1.458
42 HA LYS 65 HA LYS 65 -3.482 -5.288 -2.500
43 HB3 LYS 65 HB2 LYS 65 -5.689 -3.284 -3.035
44 HG3 LYS 65 HG2 LYS 65 -6.365 -6.116 -3.070
45 HD3 LYS 65 2HD LYS 65 -7.923 -4.333 -3.693
46 HE3 LYS 65 2HE LYS 65 -5.731 -3.275 -5.068
47 HZ1 LYS 65 3HZ LYS 65 -6.870 -4.846 -6.884
48 HZ2 LYS 65 1HZ LYS 65 -6.124 -3.376 -7.267
49 HZ3 LYS 65 2HZ LYS 65 -7.805 -3.452 -7.093
50 H ASP 66 H ASP 66 -3.551 -2.026 -3.878
51 HA ASP 66 HA ASP 66 -3.035 -3.040 -6.559
52 HB3 ASP 66 HB2 ASP 66 -2.655 -0.161 -6.089
53 H ASN 67 H ASN 67 -1.342 -1.501 -3.900
54 HA ASN 67 HA ASN 67 1.232 -1.934 -5.251
55 HB3 ASN 67 HB2 ASN 67 2.010 0.057 -4.381
56 HD21 ASN 67 1HD2 ASN 67 -1.376 0.447 -3.646
57 HD22 ASN 67 2HD2 ASN 67 -1.702 1.570 -4.907
58 HA PRO 68 HA PRO 68 0.780 -4.432 -1.372
59 HB3 PRO 68 HB2 PRO 68 -0.263 -6.115 -2.529
60 HG3 PRO 68 HG2 PRO 68 0.195 -6.508 -4.770
61 HD3 PRO 68 2HD PRO 68 -0.201 -4.264 -4.953
62 H GLU 69 H GLU 69 3.436 -3.407 -3.101
63 HA GLU 69 HA GLU 69 5.158 -5.209 -1.525
64 HB3 GLU 69 HB2 GLU 69 6.202 -3.393 -3.661
65 HG3 GLU 69 HG2 GLU 69 7.026 -6.180 -2.889
66 H THR 70 H THR 70 5.219 -1.679 -2.482
67 HA THR 70 HA THR 70 5.774 -1.133 0.256
68 HB THR 70 HB THR 70 8.014 -1.745 -0.691
69 HG1 THR 70 1HG THR 70 8.150 -0.548 1.107
70 HG21 THR 70 3HG2 THR 70 8.044 -0.821 -2.847
71 HG22 THR 70 1HG2 THR 70 9.170 0.149 -1.896
72 HG23 THR 70 2HG2 THR 70 7.559 0.770 -2.260
73 H ASN 71 H ASN 71 5.176 0.114 -2.864
74 HA ASN 71 HA ASN 71 5.301 2.761 -2.451
75 HB3 ASN 71 HB2 ASN 71 3.766 3.102 -4.186
76 HD21 ASN 71 1HD2 ASN 71 3.786 -0.422 -4.103
77 HD22 ASN 71 2HD2 ASN 71 4.824 -0.627 -5.470
78 H GLU 72 H GLU 72 2.692 0.672 -1.509
79 HA GLU 72 HA GLU 72 1.667 2.826 0.221
80 HB3 GLU 72 HB2 GLU 72 -0.451 1.717 0.222
81 HG3 GLU 72 HG2 GLU 72 -1.015 1.586 -2.187
82 H CYS 73 H CYS 73 3.201 -0.137 -0.116
83 HA CYS 73 HA CYS 73 2.580 -0.941 2.506
84 HB3 CYS 73 HB2 CYS 73 4.162 -2.805 1.250
85 H ARG 74 H ARG 74 4.420 1.301 2.043
86 HA ARG 74 HA ARG 74 7.092 0.465 2.484
87 HB3 ARG 74 HB2 ARG 74 5.762 3.113 3.088
88 HG3 ARG 74 HG2 ARG 74 8.656 2.328 2.998
89 HD3 ARG 74 2HD ARG 74 9.008 4.857 3.191
90 HE ARG 74 HE ARG 74 8.622 3.362 0.768
91 HH11 ARG 74 1HH1 ARG 74 9.456 6.476 2.105
92 HH12 ARG 74 2HH1 ARG 74 10.335 6.983 0.702
93 HH21 ARG 74 1HH2 ARG 74 9.780 4.026 -1.078
94 HH22 ARG 74 2HH2 ARG 74 10.520 5.592 -1.106
95 H THR 75 H THR 75 4.387 1.160 4.582
96 HA THR 75 HA THR 75 6.077 0.593 6.926
97 HB THR 75 HB THR 75 3.431 2.056 6.800
98 HG1 THR 75 1HG THR 75 4.563 3.851 6.832
99 HG21 THR 75 3HG2 THR 75 3.344 2.151 9.020
100 HG22 THR 75 1HG2 THR 75 5.084 2.399 9.172
101 HG23 THR 75 2HG2 THR 75 4.440 0.769 8.984
102 H TYR 76 H TYR 76 3.080 -0.182 5.267
103 HA TYR 76 HA TYR 76 2.204 -2.071 7.245
104 HB3 TYR 76 HB2 TYR 76 1.068 -2.391 4.568
105 HD1 TYR 76 1HD TYR 76 0.541 -1.092 8.024
106 HD2 TYR 76 2HD TYR 76 -1.092 -3.233 4.729
107 HE1 TYR 76 1HE TYR 76 -1.430 -1.664 9.379
108 HE2 TYR 76 2HE TYR 76 -3.068 -3.808 6.076
109 HH TYR 76 HH TYR 76 -3.748 -3.989 8.364
110 H ASP 77 H ASP 77 1.422 -4.284 5.931
111 HA ASP 77 HA ASP 77 2.124 -6.346 5.288
112 HB3 ASP 77 HB2 ASP 77 3.916 -4.620 3.582
113 H ASN 78 H ASN 78 3.934 -7.904 5.389
114 HA ASN 78 HA ASN 78 5.777 -7.146 7.534
115 HB3 ASN 78 HB2 ASN 78 5.896 -9.944 6.867
116 HD21 ASN 78 1HD2 ASN 78 7.331 -8.904 8.656
117 HD22 ASN 78 2HD2 ASN 78 6.721 -9.085 10.262
Start of MODEL 3
1 H SER 57 1H SER 57 -12.068 -2.013 1.750
2 HA SER 57 HA SER 57 -12.973 -1.113 4.404
3 HB3 SER 57 HB2 SER 57 -10.182 -1.092 4.227
4 HG SER 57 HG SER 57 -10.833 -3.312 5.412
5 H ASP 58 H ASP 58 -11.160 0.673 4.956
6 HA ASP 58 HA ASP 58 -11.815 2.919 3.383
7 HB3 ASP 58 HB2 ASP 58 -9.387 3.308 4.919
8 HA PRO 59 HA PRO 59 -8.978 3.167 0.040
9 HB3 PRO 59 HB2 PRO 59 -8.381 5.359 -0.341
10 HG3 PRO 59 HG2 PRO 59 -10.635 5.549 0.204
11 HD3 PRO 59 2HD PRO 59 -11.495 4.613 2.122
12 H LEU 60 H LEU 60 -7.868 3.023 3.215
13 HA LEU 60 HA LEU 60 -5.067 3.010 2.753
14 HB3 LEU 60 HB2 LEU 60 -6.779 2.040 5.031
15 HG LEU 60 HG LEU 60 -3.862 1.680 4.675
16 HD11 LEU 60 1HD1 LEU 60 -3.894 1.849 7.343
17 HD12 LEU 60 2HD1 LEU 60 -5.051 3.124 6.962
18 HD13 LEU 60 3HD1 LEU 60 -3.418 3.189 6.300
19 HD21 LEU 60 3HD2 LEU 60 -4.273 -0.335 5.585
20 HD22 LEU 60 1HD2 LEU 60 -5.947 0.029 5.166
21 HD23 LEU 60 2HD2 LEU 60 -5.364 0.320 6.805
22 H GLU 61 H GLU 61 -7.414 0.398 3.344
23 HA GLU 61 HA GLU 61 -5.577 -1.703 3.006
24 HB3 GLU 61 HB2 GLU 61 -7.901 -2.900 2.359
25 HG3 GLU 61 HG2 GLU 61 -8.302 -2.548 5.050
26 H GLU 62 H GLU 62 -7.741 -0.096 0.726
27 HA GLU 62 HA GLU 62 -7.340 -1.810 -1.448
28 HB3 GLU 62 HB2 GLU 62 -7.841 0.275 -2.835
29 HG3 GLU 62 HG2 GLU 62 -10.180 0.419 -2.153
30 H TYR 63 H TYR 63 -5.376 0.788 -0.164
31 HA TYR 63 HA TYR 63 -3.735 1.131 -2.435
32 HB3 TYR 63 HB2 TYR 63 -2.081 1.601 -0.274
33 HD1 TYR 63 1HD TYR 63 -5.108 3.343 -1.632
34 HD2 TYR 63 2HD TYR 63 -0.901 3.408 -1.027
35 HE1 TYR 63 1HE TYR 63 -4.983 5.507 -2.785
36 HE2 TYR 63 2HE TYR 63 -0.756 5.567 -2.177
37 HH TYR 63 HH TYR 63 -1.962 6.940 -3.688
38 H CYS 64 H CYS 64 -2.967 -0.560 0.620
39 HA CYS 64 HA CYS 64 -0.640 -1.706 -0.289
40 HB3 CYS 64 HB2 CYS 64 -1.126 -3.517 1.466
41 H LYS 65 H LYS 65 -3.852 -2.417 -1.203
42 HA LYS 65 HA LYS 65 -3.257 -5.037 -2.287
43 HB3 LYS 65 HB2 LYS 65 -5.647 -3.192 -2.549
44 HG3 LYS 65 HG2 LYS 65 -6.650 -5.560 -3.281
45 HD3 LYS 65 2HD LYS 65 -6.591 -4.768 -5.595
46 HE3 LYS 65 2HE LYS 65 -6.829 -2.160 -4.313
47 HZ1 LYS 65 3HZ LYS 65 -9.286 -2.873 -4.931
48 HZ2 LYS 65 1HZ LYS 65 -8.461 -3.980 -5.909
49 HZ3 LYS 65 2HZ LYS 65 -8.193 -2.319 -6.097
50 H ASP 66 H ASP 66 -3.659 -1.689 -3.321
51 HA ASP 66 HA ASP 66 -2.959 -2.282 -6.082
52 HB3 ASP 66 HB2 ASP 66 -3.079 0.292 -6.212
53 H ASN 67 H ASN 67 -1.296 -1.951 -3.268
54 HA ASN 67 HA ASN 67 1.040 -0.527 -4.301
55 HB3 ASN 67 HB2 ASN 67 1.705 -0.900 -1.841
56 HD21 ASN 67 1HD2 ASN 67 -1.289 0.335 -3.153
57 HD22 ASN 67 2HD2 ASN 67 -1.040 1.953 -2.661
58 HA PRO 68 HA PRO 68 2.433 -4.916 -4.883
59 HB3 PRO 68 HB2 PRO 68 1.803 -4.945 -7.113
60 HG3 PRO 68 HG2 PRO 68 1.568 -2.977 -8.313
61 HD3 PRO 68 2HD PRO 68 0.351 -2.359 -6.482
62 H GLU 69 H GLU 69 4.017 -1.989 -6.133
63 HA GLU 69 HA GLU 69 6.586 -2.835 -5.025
64 HB3 GLU 69 HB2 GLU 69 6.678 -1.988 -7.296
65 HG3 GLU 69 HG2 GLU 69 5.281 0.425 -6.189
66 H THR 70 H THR 70 3.904 -1.485 -3.969
67 HA THR 70 HA THR 70 5.215 0.191 -1.955
68 HB THR 70 HB THR 70 2.843 1.333 -1.958
69 HG1 THR 70 1HG THR 70 2.018 1.502 -4.067
70 HG21 THR 70 3HG2 THR 70 4.943 1.987 -3.999
71 HG22 THR 70 1HG2 THR 70 4.841 2.596 -2.348
72 HG23 THR 70 2HG2 THR 70 3.615 3.050 -3.532
73 H ASN 71 H ASN 71 4.226 -2.676 -2.403
74 HA ASN 71 HA ASN 71 2.185 -3.147 -0.454
75 HB3 ASN 71 HB2 ASN 71 3.229 -4.798 -2.257
76 HD21 ASN 71 1HD2 ASN 71 5.628 -3.599 -1.357
77 HD22 ASN 71 2HD2 ASN 71 6.719 -4.865 -0.928
78 H GLU 72 H GLU 72 4.914 -1.688 -0.572
79 HA GLU 72 HA GLU 72 6.099 -2.342 2.032
80 HB3 GLU 72 HB2 GLU 72 7.593 -2.023 0.031
81 HG3 GLU 72 HG2 GLU 72 6.125 0.475 -0.186
82 H CYS 73 H CYS 73 3.606 -0.941 0.893
83 HA CYS 73 HA CYS 73 3.376 1.620 1.220
84 HB3 CYS 73 HB2 CYS 73 1.438 0.690 0.440
85 H ARG 74 H ARG 74 4.951 0.569 3.340
86 HA ARG 74 HA ARG 74 3.528 1.142 5.821
87 HB3 ARG 74 HB2 ARG 74 6.371 0.276 5.277
88 HG3 ARG 74 HG2 ARG 74 5.130 1.247 7.737
89 HD3 ARG 74 2HD ARG 74 6.919 -1.140 7.999
90 HE ARG 74 HE ARG 74 6.609 -0.516 10.164
91 HH11 ARG 74 1HH1 ARG 74 3.644 0.103 8.432
92 HH12 ARG 74 2HH1 ARG 74 2.783 0.628 9.840
93 HH21 ARG 74 1HH2 ARG 74 5.478 0.168 12.018
94 HH22 ARG 74 2HH2 ARG 74 3.826 0.664 11.877
95 H THR 75 H THR 75 4.581 3.083 3.557
96 HA THR 75 HA THR 75 5.470 5.149 3.352
97 HB THR 75 HB THR 75 3.662 6.131 4.259
98 HG1 THR 75 1HG THR 75 4.859 7.642 5.091
99 HG21 THR 75 3HG2 THR 75 4.042 4.789 6.917
100 HG22 THR 75 1HG2 THR 75 2.996 4.189 5.631
101 HG23 THR 75 2HG2 THR 75 2.659 5.746 6.389
102 H TYR 76 H TYR 76 6.687 6.976 4.630
103 HA TYR 76 HA TYR 76 8.995 5.655 5.896
104 HB3 TYR 76 HB2 TYR 76 9.252 8.433 4.885
105 HD1 TYR 76 1HD TYR 76 11.104 7.832 6.708
106 HD2 TYR 76 2HD TYR 76 10.899 6.161 2.799
107 HE1 TYR 76 1HE TYR 76 13.497 7.280 6.824
108 HE2 TYR 76 2HE TYR 76 13.291 5.605 2.905
109 HH TYR 76 HH TYR 76 15.103 5.823 5.825
110 H ASP 77 H ASP 77 7.342 8.818 5.944
111 HA ASP 77 HA ASP 77 8.246 9.295 8.654
112 HB3 ASP 77 HB2 ASP 77 6.494 11.331 8.080
113 H ASN 78 H ASN 78 6.700 9.952 10.348
114 HA ASN 78 HA ASN 78 4.401 8.147 10.342
115 HB3 ASN 78 HB2 ASN 78 4.341 8.616 12.791
116 HD21 ASN 78 1HD2 ASN 78 5.508 7.297 14.205
117 HD22 ASN 78 2HD2 ASN 78 6.703 6.188 13.632
Start of MODEL 4
1 H SER 57 1H SER 57 -13.243 -1.322 4.685
2 HA SER 57 HA SER 57 -12.053 -0.348 6.373
3 HB3 SER 57 HB2 SER 57 -9.345 -0.578 5.682
4 HG SER 57 HG SER 57 -10.137 -0.635 7.799
5 H ASP 58 H ASP 58 -10.135 1.391 6.144
6 HA ASP 58 HA ASP 58 -11.017 3.265 4.248
7 HB3 ASP 58 HB2 ASP 58 -8.294 3.773 5.102
8 HA PRO 59 HA PRO 59 -9.013 2.551 0.411
9 HB3 PRO 59 HB2 PRO 59 -8.406 4.548 -0.569
10 HG3 PRO 59 HG2 PRO 59 -10.479 5.039 0.369
11 HD3 PRO 59 2HD PRO 59 -10.932 4.611 2.584
12 H LEU 60 H LEU 60 -7.201 2.961 3.220
13 HA LEU 60 HA LEU 60 -4.573 2.690 2.277
14 HB3 LEU 60 HB2 LEU 60 -3.956 2.141 4.510
15 HG LEU 60 HG LEU 60 -6.315 4.009 4.520
16 HD11 LEU 60 1HD1 LEU 60 -6.021 4.497 6.765
17 HD12 LEU 60 2HD1 LEU 60 -4.435 3.729 6.830
18 HD13 LEU 60 3HD1 LEU 60 -5.890 2.739 6.727
19 HD21 LEU 60 3HD2 LEU 60 -3.476 4.715 5.115
20 HD22 LEU 60 1HD2 LEU 60 -4.765 5.713 4.443
21 HD23 LEU 60 2HD2 LEU 60 -3.987 4.486 3.443
22 H GLU 61 H GLU 61 -7.004 0.292 3.180
23 HA GLU 61 HA GLU 61 -5.368 -1.976 2.979
24 HB3 GLU 61 HB2 GLU 61 -8.016 -2.662 2.183
25 HG3 GLU 61 HG2 GLU 61 -6.533 -3.960 3.701
26 H GLU 62 H GLU 62 -7.573 -0.549 0.605
27 HA GLU 62 HA GLU 62 -6.953 -2.339 -1.479
28 HB3 GLU 62 HB2 GLU 62 -7.828 -0.504 -2.976
29 HG3 GLU 62 HG2 GLU 62 -9.842 -0.746 -0.827
30 H TYR 63 H TYR 63 -5.370 0.484 -0.247
31 HA TYR 63 HA TYR 63 -3.885 1.220 -2.470
32 HB3 TYR 63 HB2 TYR 63 -2.146 1.520 -0.314
33 HD1 TYR 63 1HD TYR 63 -5.151 2.929 -1.963
34 HD2 TYR 63 2HD TYR 63 -1.290 3.688 -0.374
35 HE1 TYR 63 1HE TYR 63 -5.208 5.174 -2.934
36 HE2 TYR 63 2HE TYR 63 -1.319 5.934 -1.341
37 HH TYR 63 HH TYR 63 -3.426 6.907 -3.687
38 H CYS 64 H CYS 64 -2.765 -0.901 0.198
39 HA CYS 64 HA CYS 64 -0.493 -1.686 -1.259
40 HB3 CYS 64 HB2 CYS 64 -1.795 -3.335 0.922
41 H LYS 65 H LYS 65 -3.798 -2.575 -1.491
42 HA LYS 65 HA LYS 65 -3.491 -5.157 -2.625
43 HB3 LYS 65 HB2 LYS 65 -5.673 -3.124 -3.161
44 HG3 LYS 65 HG2 LYS 65 -6.282 -5.998 -3.131
45 HD3 LYS 65 2HD LYS 65 -7.985 -4.305 -3.579
46 HE3 LYS 65 2HE LYS 65 -6.069 -3.512 -5.735
47 HZ1 LYS 65 3HZ LYS 65 -8.142 -2.109 -6.448
48 HZ2 LYS 65 1HZ LYS 65 -8.994 -3.447 -5.858
49 HZ3 LYS 65 2HZ LYS 65 -7.867 -3.644 -7.104
50 H ASP 66 H ASP 66 -3.519 -1.870 -3.911
51 HA ASP 66 HA ASP 66 -2.979 -2.807 -6.619
52 HB3 ASP 66 HB2 ASP 66 -2.525 -0.037 -6.507
53 H ASN 67 H ASN 67 -1.365 -1.380 -3.861
54 HA ASN 67 HA ASN 67 1.259 -1.636 -5.177
55 HB3 ASN 67 HB2 ASN 67 1.973 0.120 -3.693
56 HD21 ASN 67 1HD2 ASN 67 -1.435 0.706 -3.701
57 HD22 ASN 67 2HD2 ASN 67 -1.429 1.893 -4.953
58 HA PRO 68 HA PRO 68 0.576 -4.952 -1.977
59 HB3 PRO 68 HB2 PRO 68 -0.019 -6.461 -3.567
60 HG3 PRO 68 HG2 PRO 68 0.688 -6.222 -5.774
61 HD3 PRO 68 2HD PRO 68 -0.186 -4.136 -5.324
62 H GLU 69 H GLU 69 3.490 -3.621 -3.329
63 HA GLU 69 HA GLU 69 4.950 -5.408 -1.491
64 HB3 GLU 69 HB2 GLU 69 6.978 -4.357 -2.764
65 HG3 GLU 69 HG2 GLU 69 5.542 -6.050 -4.659
66 H THR 70 H THR 70 5.269 -1.856 -2.394
67 HA THR 70 HA THR 70 5.503 -1.377 0.409
68 HB THR 70 HB THR 70 7.800 -2.113 -0.251
69 HG1 THR 70 1HG THR 70 8.804 -0.390 0.870
70 HG21 THR 70 3HG2 THR 70 8.002 0.561 -1.602
71 HG22 THR 70 1HG2 THR 70 7.824 -0.964 -2.469
72 HG23 THR 70 2HG2 THR 70 9.246 -0.683 -1.464
73 H ASN 71 H ASN 71 5.396 -0.077 -2.750
74 HA ASN 71 HA ASN 71 5.662 2.528 -2.399
75 HB3 ASN 71 HB2 ASN 71 4.248 2.953 -4.204
76 HD21 ASN 71 1HD2 ASN 71 3.789 -0.528 -4.017
77 HD22 ASN 71 2HD2 ASN 71 4.851 -0.922 -5.324
78 H GLU 72 H GLU 72 2.818 0.737 -1.514
79 HA GLU 72 HA GLU 72 1.989 3.029 0.147
80 HB3 GLU 72 HB2 GLU 72 -0.252 2.238 0.037
81 HG3 GLU 72 HG2 GLU 72 -0.719 2.163 -2.363
82 H CYS 73 H CYS 73 3.191 -0.084 -0.061
83 HA CYS 73 HA CYS 73 2.351 -0.739 2.558
84 HB3 CYS 73 HB2 CYS 73 3.909 -2.717 1.215
85 H ARG 74 H ARG 74 4.503 1.229 2.000
86 HA ARG 74 HA ARG 74 6.949 -0.004 2.893
87 HB3 ARG 74 HB2 ARG 74 6.216 2.913 2.565
88 HG3 ARG 74 HG2 ARG 74 9.019 1.937 2.445
89 HD3 ARG 74 2HD ARG 74 8.140 4.457 3.744
90 HE ARG 74 HE ARG 74 10.542 3.514 2.631
91 HH11 ARG 74 1HH1 ARG 74 8.614 6.419 2.786
92 HH12 ARG 74 2HH1 ARG 74 9.971 7.479 2.609
93 HH21 ARG 74 1HH2 ARG 74 12.329 4.908 2.397
94 HH22 ARG 74 2HH2 ARG 74 12.080 6.622 2.388
95 H THR 75 H THR 75 4.271 1.712 4.311
96 HA THR 75 HA THR 75 5.505 2.353 6.786
97 HB THR 75 HB THR 75 2.589 1.884 6.783
98 HG1 THR 75 1HG THR 75 3.685 3.921 5.150
99 HG21 THR 75 3HG2 THR 75 3.487 4.599 7.165
100 HG22 THR 75 1HG2 THR 75 4.340 3.468 8.214
101 HG23 THR 75 2HG2 THR 75 2.578 3.544 8.247
102 H TYR 76 H TYR 76 3.689 1.375 8.685
103 HA TYR 76 HA TYR 76 4.839 -1.137 9.274
104 HB3 TYR 76 HB2 TYR 76 2.449 -0.759 10.784
105 HD1 TYR 76 1HD TYR 76 4.867 -2.521 10.875
106 HD2 TYR 76 2HD TYR 76 4.062 1.210 12.754
107 HE1 TYR 76 1HE TYR 76 6.443 -3.094 12.673
108 HE2 TYR 76 2HE TYR 76 5.636 0.649 14.557
109 HH TYR 76 HH TYR 76 7.678 -0.881 14.808
110 H ASP 77 H ASP 77 2.814 -2.715 10.250
111 HA ASP 77 HA ASP 77 0.896 -3.198 8.128
112 HB3 ASP 77 HB2 ASP 77 2.590 -5.545 8.874
113 H ASN 78 H ASN 78 -0.714 -4.787 8.700
114 HA ASN 78 HA ASN 78 -0.803 -6.137 11.155
115 HB3 ASN 78 HB2 ASN 78 -2.334 -3.526 11.147
116 HD21 ASN 78 1HD2 ASN 78 -1.369 -4.158 14.134
117 HD22 ASN 78 2HD2 ASN 78 -2.736 -5.020 14.745
Start of MODEL 5
1 H SER 57 1H SER 57 -11.562 -1.851 4.592
2 HA SER 57 HA SER 57 -11.517 -0.461 7.172
3 HB3 SER 57 HB2 SER 57 -9.380 -1.067 7.548
4 HG SER 57 HG SER 57 -9.712 -2.796 5.320
5 H ASP 58 H ASP 58 -9.743 1.384 6.657
6 HA ASP 58 HA ASP 58 -10.989 3.172 4.899
7 HB3 ASP 58 HB2 ASP 58 -8.203 3.837 5.285
8 HA PRO 59 HA PRO 59 -9.587 2.469 0.800
9 HB3 PRO 59 HB2 PRO 59 -9.246 4.469 -0.293
10 HG3 PRO 59 HG2 PRO 59 -11.157 4.900 0.958
11 HD3 PRO 59 2HD PRO 59 -11.236 4.485 3.219
12 H LEU 60 H LEU 60 -7.373 3.044 3.280
13 HA LEU 60 HA LEU 60 -4.927 2.842 1.914
14 HB3 LEU 60 HB2 LEU 60 -4.946 3.641 4.165
15 HG LEU 60 HG LEU 60 -6.861 1.907 4.844
16 HD11 LEU 60 1HD1 LEU 60 -4.826 0.165 4.693
17 HD12 LEU 60 2HD1 LEU 60 -6.191 -0.027 5.792
18 HD13 LEU 60 3HD1 LEU 60 -4.676 0.659 6.380
19 HD21 LEU 60 3HD2 LEU 60 -5.045 2.553 7.077
20 HD22 LEU 60 1HD2 LEU 60 -6.763 2.898 6.870
21 HD23 LEU 60 2HD2 LEU 60 -5.558 3.908 6.072
22 H GLU 61 H GLU 61 -7.217 0.439 3.007
23 HA GLU 61 HA GLU 61 -5.556 -1.818 2.881
24 HB3 GLU 61 HB2 GLU 61 -7.647 -2.069 3.969
25 HG3 GLU 61 HG2 GLU 61 -8.700 -0.396 2.041
26 H GLU 62 H GLU 62 -7.620 -0.333 0.426
27 HA GLU 62 HA GLU 62 -7.038 -2.214 -1.603
28 HB3 GLU 62 HB2 GLU 62 -7.827 -0.424 -3.166
29 HG3 GLU 62 HG2 GLU 62 -10.138 -0.278 -2.322
30 H TYR 63 H TYR 63 -5.377 0.571 -0.379
31 HA TYR 63 HA TYR 63 -3.793 1.178 -2.585
32 HB3 TYR 63 HB2 TYR 63 -2.128 1.512 -0.373
33 HD1 TYR 63 1HD TYR 63 -5.022 2.955 -2.186
34 HD2 TYR 63 2HD TYR 63 -1.194 3.648 -0.486
35 HE1 TYR 63 1HE TYR 63 -4.970 5.167 -3.233
36 HE2 TYR 63 2HE TYR 63 -1.115 5.859 -1.532
37 HH TYR 63 HH TYR 63 -3.842 7.349 -2.891
38 H CYS 64 H CYS 64 -2.842 -0.858 0.213
39 HA CYS 64 HA CYS 64 -0.545 -1.796 -1.093
40 HB3 CYS 64 HB2 CYS 64 -0.939 -3.823 0.611
41 H LYS 65 H LYS 65 -3.870 -2.558 -1.478
42 HA LYS 65 HA LYS 65 -3.581 -5.186 -2.520
43 HB3 LYS 65 HB2 LYS 65 -5.715 -3.131 -3.146
44 HG3 LYS 65 HG2 LYS 65 -7.007 -5.470 -3.212
45 HD3 LYS 65 2HD LYS 65 -6.925 -5.344 -5.644
46 HE3 LYS 65 2HE LYS 65 -6.737 -2.473 -5.094
47 HZ1 LYS 65 3HZ LYS 65 -9.161 -4.043 -5.716
48 HZ2 LYS 65 1HZ LYS 65 -8.018 -3.686 -6.911
49 HZ3 LYS 65 2HZ LYS 65 -8.817 -2.434 -6.104
50 H ASP 66 H ASP 66 -3.515 -1.930 -3.898
51 HA ASP 66 HA ASP 66 -2.944 -2.969 -6.564
52 HB3 ASP 66 HB2 ASP 66 -2.551 -0.335 -6.862
53 H ASN 67 H ASN 67 -1.329 -1.430 -3.855
54 HA ASN 67 HA ASN 67 1.293 -1.856 -5.127
55 HB3 ASN 67 HB2 ASN 67 2.040 0.106 -4.107
56 HD21 ASN 67 1HD2 ASN 67 -1.341 0.625 -3.549
57 HD22 ASN 67 2HD2 ASN 67 -1.585 1.716 -4.860
58 HA PRO 68 HA PRO 68 0.679 -4.455 -1.331
59 HB3 PRO 68 HB2 PRO 68 -0.369 -6.077 -2.571
60 HG3 PRO 68 HG2 PRO 68 0.181 -6.449 -4.800
61 HD3 PRO 68 2HD PRO 68 -0.189 -4.195 -4.939
62 H GLU 69 H GLU 69 3.446 -3.555 -3.049
63 HA GLU 69 HA GLU 69 5.022 -5.383 -1.360
64 HB3 GLU 69 HB2 GLU 69 6.895 -4.982 -2.830
65 HG3 GLU 69 HG2 GLU 69 4.683 -5.278 -4.793
66 H THR 70 H THR 70 5.336 -1.890 -2.435
67 HA THR 70 HA THR 70 5.854 -1.301 0.298
68 HB THR 70 HB THR 70 8.063 -2.127 -0.555
69 HG1 THR 70 1HG THR 70 9.112 -0.696 0.673
70 HG21 THR 70 3HG2 THR 70 9.148 0.148 -1.664
71 HG22 THR 70 1HG2 THR 70 7.611 -0.041 -2.509
72 HG23 THR 70 2HG2 THR 70 8.782 -1.360 -2.504
73 H ASN 71 H ASN 71 5.457 -0.099 -2.873
74 HA ASN 71 HA ASN 71 5.804 2.533 -2.524
75 HB3 ASN 71 HB2 ASN 71 4.340 2.961 -4.299
76 HD21 ASN 71 1HD2 ASN 71 3.905 -0.516 -4.198
77 HD22 ASN 71 2HD2 ASN 71 4.982 -0.879 -5.501
78 H GLU 72 H GLU 72 2.976 0.732 -1.631
79 HA GLU 72 HA GLU 72 2.150 2.988 0.075
80 HB3 GLU 72 HB2 GLU 72 -0.090 2.185 -0.040
81 HG3 GLU 72 HG2 GLU 72 -0.584 2.204 -2.422
82 H CYS 73 H CYS 73 3.366 -0.113 -0.222
83 HA CYS 73 HA CYS 73 2.536 -0.867 2.364
84 HB3 CYS 73 HB2 CYS 73 4.078 -2.818 1.069
85 H ARG 74 H ARG 74 4.665 1.171 1.908
86 HA ARG 74 HA ARG 74 7.170 0.013 2.604
87 HB3 ARG 74 HB2 ARG 74 6.238 2.871 2.929
88 HG3 ARG 74 HG2 ARG 74 9.056 2.116 2.357
89 HD3 ARG 74 2HD ARG 74 8.212 4.262 4.225
90 HE ARG 74 HE ARG 74 10.503 3.725 2.654
91 HH11 ARG 74 1HH1 ARG 74 8.546 6.363 3.831
92 HH12 ARG 74 2HH1 ARG 74 9.849 7.506 3.806
93 HH21 ARG 74 1HH2 ARG 74 12.217 5.224 2.621
94 HH22 ARG 74 2HH2 ARG 74 11.932 6.859 3.119
95 H THR 75 H THR 75 4.596 1.596 4.432
96 HA THR 75 HA THR 75 4.274 1.919 6.671
97 HB THR 75 HB THR 75 3.420 -0.229 6.694
98 HG1 THR 75 1HG THR 75 3.781 -0.503 8.710
99 HG21 THR 75 3HG2 THR 75 4.958 -1.288 5.134
100 HG22 THR 75 1HG2 THR 75 4.681 -2.293 6.556
101 HG23 THR 75 2HG2 THR 75 6.180 -1.378 6.402
102 H TYR 76 H TYR 76 5.403 0.900 8.932
103 HA TYR 76 HA TYR 76 8.154 1.963 8.835
104 HB3 TYR 76 HB2 TYR 76 6.251 2.123 11.180
105 HD1 TYR 76 1HD TYR 76 7.976 1.552 12.801
106 HD2 TYR 76 2HD TYR 76 8.547 4.725 10.025
107 HE1 TYR 76 1HE TYR 76 9.876 2.366 14.132
108 HE2 TYR 76 2HE TYR 76 10.449 5.549 11.348
109 HH TYR 76 HH TYR 76 11.858 3.718 13.877
110 H ASP 77 H ASP 77 5.978 -0.199 10.629
111 HA ASP 77 HA ASP 77 8.121 -2.150 10.850
112 HB3 ASP 77 HB2 ASP 77 6.781 -1.886 13.422
113 H ASN 78 H ASN 78 7.264 -4.199 11.943
114 HA ASN 78 HA ASN 78 4.388 -4.564 11.608
115 HB3 ASN 78 HB2 ASN 78 5.909 -6.757 10.393
116 HD21 ASN 78 1HD2 ASN 78 3.299 -6.436 11.334
117 HD22 ASN 78 2HD2 ASN 78 2.221 -6.483 9.985
Start of MODEL 6
1 H SER 57 1H SER 57 -12.355 -2.838 5.508
2 HA SER 57 HA SER 57 -10.982 -1.832 7.024
3 HB3 SER 57 HB2 SER 57 -8.528 -1.404 5.731
4 HG SER 57 HG SER 57 -7.801 -2.924 7.333
5 H ASP 58 H ASP 58 -9.526 0.289 6.679
6 HA ASP 58 HA ASP 58 -11.160 2.144 5.354
7 HB3 ASP 58 HB2 ASP 58 -8.456 3.126 5.649
8 HA PRO 59 HA PRO 59 -10.079 2.327 1.105
9 HB3 PRO 59 HB2 PRO 59 -10.070 4.511 0.360
10 HG3 PRO 59 HG2 PRO 59 -11.903 4.465 1.790
11 HD3 PRO 59 2HD PRO 59 -11.734 3.662 3.936
12 H LEU 60 H LEU 60 -7.719 2.784 3.478
13 HA LEU 60 HA LEU 60 -5.430 3.015 1.805
14 HB3 LEU 60 HB2 LEU 60 -5.490 3.719 4.185
15 HG LEU 60 HG LEU 60 -6.543 1.338 4.863
16 HD11 LEU 60 1HD1 LEU 60 -4.194 0.392 4.209
17 HD12 LEU 60 2HD1 LEU 60 -5.034 -0.208 5.638
18 HD13 LEU 60 3HD1 LEU 60 -3.739 0.978 5.809
19 HD21 LEU 60 3HD2 LEU 60 -5.084 3.456 6.298
20 HD22 LEU 60 1HD2 LEU 60 -5.311 1.947 7.182
21 HD23 LEU 60 2HD2 LEU 60 -6.709 2.819 6.554
22 H GLU 61 H GLU 61 -7.360 0.364 2.919
23 HA GLU 61 HA GLU 61 -5.508 -1.723 2.701
24 HB3 GLU 61 HB2 GLU 61 -8.295 -2.285 1.882
25 HG3 GLU 61 HG2 GLU 61 -7.284 -3.473 4.338
26 H GLU 62 H GLU 62 -7.666 -0.287 0.301
27 HA GLU 62 HA GLU 62 -7.051 -2.058 -1.800
28 HB3 GLU 62 HB2 GLU 62 -7.812 -0.143 -3.278
29 HG3 GLU 62 HG2 GLU 62 -9.669 -0.892 -1.027
30 H TYR 63 H TYR 63 -5.394 0.707 -0.500
31 HA TYR 63 HA TYR 63 -3.798 1.315 -2.722
32 HB3 TYR 63 HB2 TYR 63 -2.184 1.796 -0.530
33 HD1 TYR 63 1HD TYR 63 -5.370 3.314 -1.756
34 HD2 TYR 63 2HD TYR 63 -1.172 3.727 -1.219
35 HE1 TYR 63 1HE TYR 63 -5.464 5.535 -2.791
36 HE2 TYR 63 2HE TYR 63 -1.250 5.948 -2.253
37 HH TYR 63 HH TYR 63 -2.808 7.160 -3.912
38 H CYS 64 H CYS 64 -2.863 -0.578 0.187
39 HA CYS 64 HA CYS 64 -0.477 -1.488 -0.933
40 HB3 CYS 64 HB2 CYS 64 -0.952 -3.532 0.729
41 H LYS 65 H LYS 65 -3.727 -2.334 -1.631
42 HA LYS 65 HA LYS 65 -3.168 -4.925 -2.746
43 HB3 LYS 65 HB2 LYS 65 -5.520 -3.057 -3.151
44 HG3 LYS 65 HG2 LYS 65 -5.824 -5.957 -3.583
45 HD3 LYS 65 2HD LYS 65 -7.704 -4.388 -3.753
46 HE3 LYS 65 2HE LYS 65 -5.852 -2.770 -5.098
47 HZ1 LYS 65 3HZ LYS 65 -7.719 -4.042 -6.923
48 HZ2 LYS 65 1HZ LYS 65 -6.229 -3.302 -7.237
49 HZ3 LYS 65 2HZ LYS 65 -7.618 -2.357 -7.037
50 H ASP 66 H ASP 66 -3.484 -1.599 -3.895
51 HA ASP 66 HA ASP 66 -2.890 -2.270 -6.648
52 HB3 ASP 66 HB2 ASP 66 -2.423 0.394 -6.524
53 H ASN 67 H ASN 67 -1.258 -1.400 -3.754
54 HA ASN 67 HA ASN 67 1.398 -1.477 -5.011
55 HB3 ASN 67 HB2 ASN 67 2.067 0.020 -3.243
56 HD21 ASN 67 1HD2 ASN 67 -0.712 1.555 -2.660
57 HD22 ASN 67 2HD2 ASN 67 -0.807 2.577 -4.046
58 HA PRO 68 HA PRO 68 0.266 -5.353 -2.650
59 HB3 PRO 68 HB2 PRO 68 0.837 -7.037 -4.079
60 HG3 PRO 68 HG2 PRO 68 -0.394 -5.692 -5.494
61 HD3 PRO 68 2HD PRO 68 0.007 -3.455 -5.639
62 H GLU 69 H GLU 69 3.584 -4.159 -3.375
63 HA GLU 69 HA GLU 69 4.349 -5.796 -1.048
64 HB3 GLU 69 HB2 GLU 69 5.514 -6.309 -3.079
65 HG3 GLU 69 HG2 GLU 69 7.103 -3.825 -3.057
66 H THR 70 H THR 70 5.447 -2.463 -2.192
67 HA THR 70 HA THR 70 5.416 -1.796 0.599
68 HB THR 70 HB THR 70 8.043 -1.169 -0.512
69 HG1 THR 70 1HG THR 70 7.451 -3.864 0.118
70 HG21 THR 70 3HG2 THR 70 6.849 -1.841 2.041
71 HG22 THR 70 1HG2 THR 70 8.284 -0.885 1.674
72 HG23 THR 70 2HG2 THR 70 8.393 -2.642 1.763
73 H ASN 71 H ASN 71 5.855 -0.672 -2.647
74 HA ASN 71 HA ASN 71 6.585 1.857 -2.219
75 HB3 ASN 71 HB2 ASN 71 6.148 1.083 -4.465
76 HD21 ASN 71 1HD2 ASN 71 4.805 -0.941 -3.845
77 HD22 ASN 71 2HD2 ASN 71 3.196 -0.953 -4.460
78 H GLU 72 H GLU 72 3.412 0.555 -1.620
79 HA GLU 72 HA GLU 72 2.764 3.110 -0.284
80 HB3 GLU 72 HB2 GLU 72 1.184 1.653 -2.037
81 HG3 GLU 72 HG2 GLU 72 0.745 0.124 -0.014
82 H CYS 73 H CYS 73 3.512 -0.176 -0.077
83 HA CYS 73 HA CYS 73 2.444 -0.457 2.507
84 HB3 CYS 73 HB2 CYS 73 3.917 -2.689 1.561
85 H ARG 74 H ARG 74 4.809 1.273 1.998
86 HA ARG 74 HA ARG 74 7.125 0.012 3.043
87 HB3 ARG 74 HB2 ARG 74 7.345 2.015 1.714
88 HG3 ARG 74 HG2 ARG 74 5.839 3.426 3.907
89 HD3 ARG 74 2HD ARG 74 6.719 4.782 1.418
90 HE ARG 74 HE ARG 74 5.738 6.370 2.746
91 HH11 ARG 74 1HH1 ARG 74 7.953 4.486 4.675
92 HH12 ARG 74 2HH1 ARG 74 7.827 5.522 6.057
93 HH21 ARG 74 1HH2 ARG 74 5.571 7.734 4.562
94 HH22 ARG 74 2HH2 ARG 74 6.475 7.367 5.993
95 H THR 75 H THR 75 4.378 1.602 4.482
96 HA THR 75 HA THR 75 5.615 1.420 7.138
97 HB THR 75 HB THR 75 2.942 2.652 6.869
98 HG1 THR 75 1HG THR 75 5.244 3.882 5.761
99 HG21 THR 75 3HG2 THR 75 3.686 3.222 8.903
100 HG22 THR 75 1HG2 THR 75 4.508 4.509 8.022
101 HG23 THR 75 2HG2 THR 75 5.382 3.040 8.455
102 H TYR 76 H TYR 76 3.367 1.255 8.717
103 HA TYR 76 HA TYR 76 2.387 -1.445 8.070
104 HB3 TYR 76 HB2 TYR 76 2.150 -0.402 10.839
105 HD1 TYR 76 1HD TYR 76 3.610 -3.124 8.727
106 HD2 TYR 76 2HD TYR 76 1.396 -2.094 12.211
107 HE1 TYR 76 1HE TYR 76 3.281 -5.511 9.216
108 HE2 TYR 76 2HE TYR 76 1.063 -4.477 12.712
109 HH TYR 76 HH TYR 76 2.207 -6.649 12.184
110 H ASP 77 H ASP 77 1.373 1.538 9.740
111 HA ASP 77 HA ASP 77 -1.124 1.631 8.397
112 HB3 ASP 77 HB2 ASP 77 -1.493 1.092 11.319
113 H ASN 78 H ASN 78 -2.564 3.354 9.346
114 HA ASN 78 HA ASN 78 -1.004 5.357 10.833
115 HB3 ASN 78 HB2 ASN 78 -0.954 6.034 8.511
116 HD21 ASN 78 1HD2 ASN 78 -1.710 5.039 6.766
117 HD22 ASN 78 2HD2 ASN 78 -3.364 5.008 6.270
Start of MODEL 7
1 H SER 57 1H SER 57 -12.953 -2.392 5.109
2 HA SER 57 HA SER 57 -12.476 -0.379 6.050
3 HB3 SER 57 HB2 SER 57 -9.723 -0.536 5.506
4 HG SER 57 HG SER 57 -11.264 -2.027 7.373
5 H ASP 58 H ASP 58 -10.596 1.416 5.885
6 HA ASP 58 HA ASP 58 -11.434 3.229 3.919
7 HB3 ASP 58 HB2 ASP 58 -8.762 3.827 4.859
8 HA PRO 59 HA PRO 59 -9.264 2.493 0.176
9 HB3 PRO 59 HB2 PRO 59 -8.644 4.484 -0.810
10 HG3 PRO 59 HG2 PRO 59 -10.761 4.965 0.025
11 HD3 PRO 59 2HD PRO 59 -11.313 4.544 2.218
12 H LEU 60 H LEU 60 -7.567 3.008 3.050
13 HA LEU 60 HA LEU 60 -4.905 2.757 2.239
14 HB3 LEU 60 HB2 LEU 60 -5.340 3.450 4.464
15 HG LEU 60 HG LEU 60 -7.452 1.727 4.575
16 HD11 LEU 60 1HD1 LEU 60 -7.078 -0.054 5.994
17 HD12 LEU 60 2HD1 LEU 60 -5.574 0.622 6.620
18 HD13 LEU 60 3HD1 LEU 60 -5.625 -0.068 4.997
19 HD21 LEU 60 3HD2 LEU 60 -6.968 3.824 5.885
20 HD22 LEU 60 1HD2 LEU 60 -6.065 2.814 7.016
21 HD23 LEU 60 2HD2 LEU 60 -7.791 2.542 6.774
22 H GLU 61 H GLU 61 -7.297 0.291 3.116
23 HA GLU 61 HA GLU 61 -5.595 -1.929 2.933
24 HB3 GLU 61 HB2 GLU 61 -7.888 -3.094 2.331
25 HG3 GLU 61 HG2 GLU 61 -8.614 -3.001 4.681
26 H GLU 62 H GLU 62 -7.651 -0.375 0.522
27 HA GLU 62 HA GLU 62 -7.077 -2.186 -1.572
28 HB3 GLU 62 HB2 GLU 62 -7.847 -0.322 -3.066
29 HG3 GLU 62 HG2 GLU 62 -9.542 -1.217 -0.764
30 H TYR 63 H TYR 63 -5.400 0.548 -0.253
31 HA TYR 63 HA TYR 63 -3.811 1.209 -2.444
32 HB3 TYR 63 HB2 TYR 63 -2.157 1.511 -0.225
33 HD1 TYR 63 1HD TYR 63 -5.097 3.005 -1.935
34 HD2 TYR 63 2HD TYR 63 -1.205 3.622 -0.356
35 HE1 TYR 63 1HE TYR 63 -5.061 5.242 -2.929
36 HE2 TYR 63 2HE TYR 63 -1.145 5.859 -1.345
37 HH TYR 63 HH TYR 63 -2.810 7.595 -2.086
38 H CYS 64 H CYS 64 -2.863 -0.873 0.323
39 HA CYS 64 HA CYS 64 -0.560 -1.778 -1.011
40 HB3 CYS 64 HB2 CYS 64 -0.931 -3.825 0.680
41 H LYS 65 H LYS 65 -3.879 -2.544 -1.379
42 HA LYS 65 HA LYS 65 -3.587 -5.160 -2.457
43 HB3 LYS 65 HB2 LYS 65 -5.745 -3.086 -2.909
44 HG3 LYS 65 HG2 LYS 65 -6.913 -5.549 -3.196
45 HD3 LYS 65 2HD LYS 65 -7.141 -4.945 -5.562
46 HE3 LYS 65 2HE LYS 65 -8.314 -2.930 -5.283
47 HZ1 LYS 65 3HZ LYS 65 -9.627 -3.420 -3.523
48 HZ2 LYS 65 1HZ LYS 65 -8.335 -3.658 -2.457
49 HZ3 LYS 65 2HZ LYS 65 -8.754 -4.868 -3.563
50 H ASP 66 H ASP 66 -3.564 -1.883 -3.783
51 HA ASP 66 HA ASP 66 -3.038 -2.871 -6.475
52 HB3 ASP 66 HB2 ASP 66 -2.657 0.004 -5.943
53 H ASN 67 H ASN 67 -1.379 -1.376 -3.768
54 HA ASN 67 HA ASN 67 1.217 -1.777 -5.097
55 HB3 ASN 67 HB2 ASN 67 1.983 0.172 -4.070
56 HD21 ASN 67 1HD2 ASN 67 -1.375 0.703 -3.403
57 HD22 ASN 67 2HD2 ASN 67 -1.657 1.799 -4.702
58 HA PRO 68 HA PRO 68 0.700 -4.424 -1.320
59 HB3 PRO 68 HB2 PRO 68 -0.382 -6.031 -2.552
60 HG3 PRO 68 HG2 PRO 68 0.102 -6.372 -4.799
61 HD3 PRO 68 2HD PRO 68 -0.258 -4.116 -4.907
62 H GLU 69 H GLU 69 3.415 -3.483 -3.090
63 HA GLU 69 HA GLU 69 5.046 -5.343 -1.489
64 HB3 GLU 69 HB2 GLU 69 6.906 -4.380 -3.054
65 HG3 GLU 69 HG2 GLU 69 4.799 -6.195 -4.203
66 H THR 70 H THR 70 5.316 -1.829 -2.498
67 HA THR 70 HA THR 70 5.913 -1.293 0.229
68 HB THR 70 HB THR 70 8.101 -2.087 -0.704
69 HG1 THR 70 1HG THR 70 8.482 -0.937 1.037
70 HG21 THR 70 3HG2 THR 70 7.618 -0.528 -2.842
71 HG22 THR 70 1HG2 THR 70 9.225 -1.050 -2.340
72 HG23 THR 70 2HG2 THR 70 8.634 0.547 -1.882
73 H ASN 71 H ASN 71 5.412 -0.033 -2.902
74 HA ASN 71 HA ASN 71 5.757 2.594 -2.507
75 HB3 ASN 71 HB2 ASN 71 4.244 3.052 -4.232
76 HD21 ASN 71 1HD2 ASN 71 3.851 -0.432 -4.193
77 HD22 ASN 71 2HD2 ASN 71 4.892 -0.753 -5.535
78 H GLU 72 H GLU 72 2.961 0.761 -1.583
79 HA GLU 72 HA GLU 72 2.169 2.978 0.189
80 HB3 GLU 72 HB2 GLU 72 -0.071 2.176 0.107
81 HG3 GLU 72 HG2 GLU 72 -0.622 2.232 -2.259
82 H CYS 73 H CYS 73 3.384 -0.115 -0.197
83 HA CYS 73 HA CYS 73 2.633 -0.903 2.407
84 HB3 CYS 73 HB2 CYS 73 4.084 -2.858 1.013
85 H ARG 74 H ARG 74 4.768 1.106 1.891
86 HA ARG 74 HA ARG 74 7.302 -0.046 2.380
87 HB3 ARG 74 HB2 ARG 74 6.342 2.754 3.002
88 HG3 ARG 74 HG2 ARG 74 9.131 1.714 2.544
89 HD3 ARG 74 2HD ARG 74 8.067 4.501 2.976
90 HE ARG 74 HE ARG 74 10.901 4.184 2.618
91 HH11 ARG 74 1HH1 ARG 74 8.320 4.383 4.960
92 HH12 ARG 74 2HH1 ARG 74 9.356 4.915 6.240
93 HH21 ARG 74 1HH2 ARG 74 12.263 4.884 4.301
94 HH22 ARG 74 2HH2 ARG 74 11.594 5.200 5.868
95 H THR 75 H THR 75 4.716 1.041 4.477
96 HA THR 75 HA THR 75 6.349 0.532 6.852
97 HB THR 75 HB THR 75 3.521 1.585 6.745
98 HG1 THR 75 1HG THR 75 4.397 3.619 6.756
99 HG21 THR 75 3HG2 THR 75 3.675 2.095 8.931
100 HG22 THR 75 1HG2 THR 75 5.412 2.385 8.858
101 HG23 THR 75 2HG2 THR 75 4.796 0.733 8.925
102 H TYR 76 H TYR 76 3.599 -0.701 5.084
103 HA TYR 76 HA TYR 76 2.764 -2.533 7.121
104 HB3 TYR 76 HB2 TYR 76 1.937 -3.318 4.464
105 HD1 TYR 76 1HD TYR 76 0.512 -0.887 6.914
106 HD2 TYR 76 2HD TYR 76 0.280 -4.768 5.187
107 HE1 TYR 76 1HE TYR 76 -1.566 -1.310 8.159
108 HE2 TYR 76 2HE TYR 76 -1.799 -5.203 6.426
109 HH TYR 76 HH TYR 76 -2.774 -4.026 8.855
110 H ASP 77 H ASP 77 2.401 -4.922 5.856
111 HA ASP 77 HA ASP 77 5.164 -5.880 5.607
112 HB3 ASP 77 HB2 ASP 77 3.492 -8.106 5.798
113 H ASN 78 H ASN 78 5.392 -7.872 4.167
114 HA ASN 78 HA ASN 78 4.007 -7.331 1.625
115 HB3 ASN 78 HB2 ASN 78 6.064 -8.679 0.721
116 HD21 ASN 78 1HD2 ASN 78 6.401 -5.842 2.830
117 HD22 ASN 78 2HD2 ASN 78 6.788 -4.735 1.562
Start of MODEL 8
1 H SER 57 1H SER 57 -11.280 -2.241 5.439
2 HA SER 57 HA SER 57 -11.905 0.121 5.923
3 HB3 SER 57 HB2 SER 57 -9.769 0.203 6.624
4 HG SER 57 HG SER 57 -9.517 -1.939 6.550
5 H ASP 58 H ASP 58 -10.548 2.205 5.074
6 HA ASP 58 HA ASP 58 -11.942 3.087 2.782
7 HB3 ASP 58 HB2 ASP 58 -9.575 4.666 3.331
8 HA PRO 59 HA PRO 59 -9.603 1.977 -0.761
9 HB3 PRO 59 HB2 PRO 59 -9.664 3.669 -2.322
10 HG3 PRO 59 HG2 PRO 59 -11.822 3.713 -1.453
11 HD3 PRO 59 2HD PRO 59 -12.208 3.853 0.813
12 H LEU 60 H LEU 60 -8.198 3.776 1.710
13 HA LEU 60 HA LEU 60 -5.552 3.993 0.678
14 HB3 LEU 60 HB2 LEU 60 -6.279 5.492 2.417
15 HG LEU 60 HG LEU 60 -7.659 3.550 3.619
16 HD11 LEU 60 1HD1 LEU 60 -5.181 2.715 4.267
17 HD12 LEU 60 2HD1 LEU 60 -6.612 2.414 5.254
18 HD13 LEU 60 3HD1 LEU 60 -5.537 3.756 5.646
19 HD21 LEU 60 3HD2 LEU 60 -7.742 5.017 5.616
20 HD22 LEU 60 1HD2 LEU 60 -7.933 5.892 4.096
21 HD23 LEU 60 2HD2 LEU 60 -6.392 5.938 4.953
22 H GLU 61 H GLU 61 -7.128 1.757 2.945
23 HA GLU 61 HA GLU 61 -4.868 0.195 3.501
24 HB3 GLU 61 HB2 GLU 61 -7.635 -0.963 3.432
25 HG3 GLU 61 HG2 GLU 61 -6.425 -1.387 5.903
26 H GLU 62 H GLU 62 -7.408 -0.194 1.072
27 HA GLU 62 HA GLU 62 -6.557 -2.627 0.001
28 HB3 GLU 62 HB2 GLU 62 -7.652 -1.762 -2.140
29 HG3 GLU 62 HG2 GLU 62 -9.277 -1.667 0.395
30 H TYR 63 H TYR 63 -5.358 0.624 -0.459
31 HA TYR 63 HA TYR 63 -3.918 0.182 -2.832
32 HB3 TYR 63 HB2 TYR 63 -2.362 1.958 -1.417
33 HD1 TYR 63 1HD TYR 63 -5.816 2.119 -2.854
34 HD2 TYR 63 2HD TYR 63 -1.785 3.457 -3.036
35 HE1 TYR 63 1HE TYR 63 -6.363 3.476 -4.827
36 HE2 TYR 63 2HE TYR 63 -2.315 4.817 -5.004
37 HH TYR 63 HH TYR 63 -3.954 4.942 -6.777
38 H CYS 64 H CYS 64 -2.649 0.314 0.516
39 HA CYS 64 HA CYS 64 -0.173 -0.659 -0.191
40 HB3 CYS 64 HB2 CYS 64 -1.158 -1.488 2.495
41 H LYS 65 H LYS 65 -3.126 -2.295 -0.188
42 HA LYS 65 HA LYS 65 -1.946 -4.924 0.086
43 HB3 LYS 65 HB2 LYS 65 -4.727 -3.974 -0.617
44 HG3 LYS 65 HG2 LYS 65 -5.140 -6.533 0.029
45 HD3 LYS 65 2HD LYS 65 -5.413 -6.997 -2.357
46 HE3 LYS 65 2HE LYS 65 -6.221 -4.206 -2.458
47 HZ1 LYS 65 3HZ LYS 65 -7.495 -5.681 -3.685
48 HZ2 LYS 65 1HZ LYS 65 -8.459 -5.413 -2.320
49 HZ3 LYS 65 2HZ LYS 65 -7.557 -6.837 -2.450
50 H ASP 66 H ASP 66 -3.187 -2.782 -2.464
51 HA ASP 66 HA ASP 66 -2.411 -4.705 -4.526
52 HB3 ASP 66 HB2 ASP 66 -3.609 -3.001 -6.008
53 H ASN 67 H ASN 67 -0.814 -2.118 -3.065
54 HA ASN 67 HA ASN 67 0.348 -1.119 -5.513
55 HB3 ASN 67 HB2 ASN 67 1.469 0.480 -3.906
56 HD21 ASN 67 1HD2 ASN 67 -1.885 -0.251 -3.369
57 HD22 ASN 67 2HD2 ASN 67 -2.515 1.112 -4.207
58 HA PRO 68 HA PRO 68 3.576 -4.356 -4.974
59 HB3 PRO 68 HB2 PRO 68 4.109 -4.728 -7.148
60 HG3 PRO 68 HG2 PRO 68 2.110 -4.431 -8.134
61 HD3 PRO 68 2HD PRO 68 0.746 -3.847 -6.421
62 H GLU 69 H GLU 69 3.646 -0.918 -5.646
63 HA GLU 69 HA GLU 69 6.363 -0.683 -4.545
64 HB3 GLU 69 HB2 GLU 69 5.538 1.855 -5.343
65 HG3 GLU 69 HG2 GLU 69 7.709 0.496 -5.797
66 H THR 70 H THR 70 3.040 0.129 -3.974
67 HA THR 70 HA THR 70 3.765 1.424 -1.424
68 HB THR 70 HB THR 70 1.013 1.892 -2.252
69 HG1 THR 70 1HG THR 70 1.481 3.206 -4.014
70 HG21 THR 70 3HG2 THR 70 3.264 3.410 -1.159
71 HG22 THR 70 1HG2 THR 70 1.539 3.503 -0.799
72 HG23 THR 70 2HG2 THR 70 2.189 4.325 -2.217
73 H ASN 71 H ASN 71 2.866 -1.411 -2.595
74 HA ASN 71 HA ASN 71 0.943 -2.060 -0.519
75 HB3 ASN 71 HB2 ASN 71 0.977 -3.155 -2.934
76 HD21 ASN 71 1HD2 ASN 71 3.750 -2.990 -2.656
77 HD22 ASN 71 2HD2 ASN 71 4.424 -4.561 -2.886
78 H GLU 72 H GLU 72 4.084 -1.662 -1.219
79 HA GLU 72 HA GLU 72 5.102 -3.417 0.913
80 HB3 GLU 72 HB2 GLU 72 6.350 -3.431 -1.230
81 HG3 GLU 72 HG2 GLU 72 6.198 -0.531 -0.915
82 H CYS 73 H CYS 73 3.683 -0.562 0.401
83 HA CYS 73 HA CYS 73 5.163 1.356 1.501
84 HB3 CYS 73 HB2 CYS 73 2.755 1.450 0.526
85 H ARG 74 H ARG 74 3.544 -1.225 3.033
86 HA ARG 74 HA ARG 74 4.173 -0.202 5.716
87 HB3 ARG 74 HB2 ARG 74 2.425 -2.540 4.928
88 HG3 ARG 74 HG2 ARG 74 3.149 -2.884 7.166
89 HD3 ARG 74 2HD ARG 74 2.829 0.052 7.362
90 HE ARG 74 HE ARG 74 2.686 -1.257 9.928
91 HH11 ARG 74 1HH1 ARG 74 0.874 0.272 7.366
92 HH12 ARG 74 2HH1 ARG 74 -0.468 0.669 8.384
93 HH21 ARG 74 1HH2 ARG 74 0.922 -0.735 11.266
94 HH22 ARG 74 2HH2 ARG 74 -0.442 0.098 10.598
95 H THR 75 H THR 75 5.017 -2.641 3.411
96 HA THR 75 HA THR 75 6.278 -4.437 5.228
97 HB THR 75 HB THR 75 6.704 -4.088 2.254
98 HG1 THR 75 1HG THR 75 5.122 -5.579 2.011
99 HG21 THR 75 3HG2 THR 75 8.038 -5.857 2.222
100 HG22 THR 75 1HG2 THR 75 7.005 -6.759 3.333
101 HG23 THR 75 2HG2 THR 75 8.205 -5.630 3.964
102 H TYR 76 H TYR 76 7.727 -2.316 2.744
103 HA TYR 76 HA TYR 76 10.350 -2.522 3.686
104 HB3 TYR 76 HB2 TYR 76 9.536 0.038 2.418
105 HD1 TYR 76 1HD TYR 76 11.402 -3.120 1.657
106 HD2 TYR 76 2HD TYR 76 11.498 1.126 1.917
107 HE1 TYR 76 1HE TYR 76 13.753 -3.136 0.939
108 HE2 TYR 76 2HE TYR 76 13.850 1.122 1.198
109 HH TYR 76 HH TYR 76 15.807 -0.616 1.305
110 H ASP 77 H ASP 77 11.471 -0.171 4.170
111 HA ASP 77 HA ASP 77 10.378 0.547 6.783
112 HB3 ASP 77 HB2 ASP 77 12.952 1.714 5.909
113 H ASN 78 H ASN 78 10.850 2.936 7.401
114 HA ASN 78 HA ASN 78 9.675 4.602 5.284
115 HB3 ASN 78 HB2 ASN 78 8.924 6.080 7.095
116 HD21 ASN 78 1HD2 ASN 78 6.937 5.766 8.102
117 HD22 ASN 78 2HD2 ASN 78 6.065 4.281 7.962
Start of MODEL 9
1 H SER 57 1H SER 57 -12.490 -1.269 6.189
2 HA SER 57 HA SER 57 -10.927 -0.431 7.617
3 HB3 SER 57 HB2 SER 57 -8.446 -0.760 6.302
4 HG SER 57 HG SER 57 -8.261 -0.930 8.407
5 H ASP 58 H ASP 58 -8.878 1.147 6.951
6 HA ASP 58 HA ASP 58 -10.090 3.187 5.401
7 HB3 ASP 58 HB2 ASP 58 -7.232 3.548 5.717
8 HA PRO 59 HA PRO 59 -8.894 2.568 1.221
9 HB3 PRO 59 HB2 PRO 59 -8.507 4.594 0.212
10 HG3 PRO 59 HG2 PRO 59 -10.316 5.070 1.599
11 HD3 PRO 59 2HD PRO 59 -10.265 4.604 3.857
12 H LEU 60 H LEU 60 -6.594 2.788 3.636
13 HA LEU 60 HA LEU 60 -4.201 2.587 2.154
14 HB3 LEU 60 HB2 LEU 60 -4.871 1.759 4.974
15 HG LEU 60 HG LEU 60 -2.707 0.728 3.880
16 HD11 LEU 60 1HD1 LEU 60 -0.933 2.067 3.539
17 HD12 LEU 60 2HD1 LEU 60 -1.351 3.142 4.874
18 HD13 LEU 60 3HD1 LEU 60 -2.166 3.310 3.320
19 HD21 LEU 60 3HD2 LEU 60 -3.399 0.594 6.251
20 HD22 LEU 60 1HD2 LEU 60 -2.610 2.145 6.538
21 HD23 LEU 60 2HD2 LEU 60 -1.654 0.747 6.048
22 H GLU 61 H GLU 61 -6.610 0.256 3.080
23 HA GLU 61 HA GLU 61 -5.011 -2.061 2.810
24 HB3 GLU 61 HB2 GLU 61 -7.353 -3.143 2.424
25 HG3 GLU 61 HG2 GLU 61 -7.979 -2.850 4.816
26 H GLU 62 H GLU 62 -7.393 -0.631 0.598
27 HA GLU 62 HA GLU 62 -6.883 -2.393 -1.529
28 HB3 GLU 62 HB2 GLU 62 -8.840 -1.266 -1.909
29 HG3 GLU 62 HG2 GLU 62 -7.536 0.958 -0.554
30 H TYR 63 H TYR 63 -5.214 0.403 -0.403
31 HA TYR 63 HA TYR 63 -3.879 0.978 -2.806
32 HB3 TYR 63 HB2 TYR 63 -2.147 1.799 -0.850
33 HD1 TYR 63 1HD TYR 63 -2.196 2.677 -3.343
34 HD2 TYR 63 2HD TYR 63 -4.903 3.854 -0.293
35 HE1 TYR 63 1HE TYR 63 -2.699 4.698 -4.601
36 HE2 TYR 63 2HE TYR 63 -5.427 5.898 -1.540
37 HH TYR 63 HH TYR 63 -4.489 6.368 -4.786
38 H CYS 64 H CYS 64 -2.613 -0.786 0.083
39 HA CYS 64 HA CYS 64 -0.263 -1.533 -1.255
40 HB3 CYS 64 HB2 CYS 64 -1.656 -3.080 0.959
41 H LYS 65 H LYS 65 -3.513 -2.561 -1.643
42 HA LYS 65 HA LYS 65 -2.934 -5.112 -2.817
43 HB3 LYS 65 HB2 LYS 65 -5.371 -3.323 -2.990
44 HG3 LYS 65 HG2 LYS 65 -5.340 -6.227 -3.718
45 HD3 LYS 65 2HD LYS 65 -7.491 -5.222 -3.121
46 HE3 LYS 65 2HE LYS 65 -6.721 -3.235 -5.239
47 HZ1 LYS 65 3HZ LYS 65 -9.445 -3.640 -4.130
48 HZ2 LYS 65 1HZ LYS 65 -8.973 -4.083 -5.694
49 HZ3 LYS 65 2HZ LYS 65 -8.971 -2.453 -5.238
50 H ASP 66 H ASP 66 -3.456 -1.797 -3.923
51 HA ASP 66 HA ASP 66 -3.070 -2.412 -6.714
52 HB3 ASP 66 HB2 ASP 66 -2.491 0.347 -5.902
53 H ASN 67 H ASN 67 -1.157 -1.442 -3.983
54 HA ASN 67 HA ASN 67 1.345 -1.660 -5.504
55 HB3 ASN 67 HB2 ASN 67 2.247 -0.062 -3.949
56 HD21 ASN 67 1HD2 ASN 67 -1.181 0.545 -3.999
57 HD22 ASN 67 2HD2 ASN 67 -1.113 1.872 -5.097
58 HA PRO 68 HA PRO 68 0.494 -5.357 -2.759
59 HB3 PRO 68 HB2 PRO 68 0.935 -7.135 -4.123
60 HG3 PRO 68 HG2 PRO 68 -0.465 -5.896 -5.477
61 HD3 PRO 68 2HD PRO 68 -0.114 -3.666 -5.814
62 H GLU 69 H GLU 69 3.542 -3.770 -3.592
63 HA GLU 69 HA GLU 69 4.757 -5.550 -1.573
64 HB3 GLU 69 HB2 GLU 69 6.874 -4.214 -2.644
65 HG3 GLU 69 HG2 GLU 69 6.488 -6.703 -2.404
66 H THR 70 H THR 70 5.156 -1.973 -2.329
67 HA THR 70 HA THR 70 5.139 -1.597 0.516
68 HB THR 70 HB THR 70 7.478 -2.282 -0.015
69 HG1 THR 70 1HG THR 70 8.024 0.181 0.872
70 HG21 THR 70 3HG2 THR 70 7.576 0.369 -1.434
71 HG22 THR 70 1HG2 THR 70 7.792 -1.224 -2.160
72 HG23 THR 70 2HG2 THR 70 8.975 -0.613 -1.003
73 H ASN 71 H ASN 71 5.245 -0.191 -2.602
74 HA ASN 71 HA ASN 71 5.453 2.406 -2.174
75 HB3 ASN 71 HB2 ASN 71 4.196 2.861 -4.075
76 HD21 ASN 71 1HD2 ASN 71 3.872 -0.660 -3.815
77 HD22 ASN 71 2HD2 ASN 71 4.946 -1.025 -5.120
78 H GLU 72 H GLU 72 2.605 0.540 -1.427
79 HA GLU 72 HA GLU 72 1.606 2.861 0.102
80 HB3 GLU 72 HB2 GLU 72 -0.572 1.897 0.011
81 HG3 GLU 72 HG2 GLU 72 -0.915 1.625 -2.451
82 H CYS 73 H CYS 73 2.945 -0.206 0.099
83 HA CYS 73 HA CYS 73 1.939 -0.861 2.618
84 HB3 CYS 73 HB2 CYS 73 3.958 -2.612 1.655
85 H ARG 74 H ARG 74 4.002 1.366 2.114
86 HA ARG 74 HA ARG 74 5.950 0.524 4.157
87 HB3 ARG 74 HB2 ARG 74 6.375 2.927 2.423
88 HG3 ARG 74 HG2 ARG 74 8.476 0.939 3.093
89 HD3 ARG 74 2HD ARG 74 8.265 3.868 2.557
90 HE ARG 74 HE ARG 74 9.857 4.261 4.135
91 HH11 ARG 74 1HH1 ARG 74 10.425 1.092 2.790
92 HH12 ARG 74 2HH1 ARG 74 11.888 0.838 3.681
93 HH21 ARG 74 1HH2 ARG 74 11.783 3.931 5.305
94 HH22 ARG 74 2HH2 ARG 74 12.659 2.450 5.108
95 H THR 75 H THR 75 3.891 3.123 3.002
96 HA THR 75 HA THR 75 3.204 3.961 5.643
97 HB THR 75 HB THR 75 4.541 6.104 4.028
98 HG1 THR 75 1HG THR 75 6.170 4.620 4.234
99 HG21 THR 75 3HG2 THR 75 5.142 6.579 6.617
100 HG22 THR 75 1HG2 THR 75 3.570 5.796 6.773
101 HG23 THR 75 2HG2 THR 75 3.741 7.241 5.778
102 H TYR 76 H TYR 76 1.856 6.126 5.420
103 HA TYR 76 HA TYR 76 -0.334 5.609 3.806
104 HB3 TYR 76 HB2 TYR 76 0.393 8.426 4.558
105 HD1 TYR 76 1HD TYR 76 -1.305 8.457 2.475
106 HD2 TYR 76 2HD TYR 76 -2.279 7.219 6.427
107 HE1 TYR 76 1HE TYR 76 -3.679 8.921 2.030
108 HE2 TYR 76 2HE TYR 76 -4.654 7.679 5.993
109 HH TYR 76 HH TYR 76 -5.973 7.964 3.089
110 H ASP 77 H ASP 77 2.503 7.591 3.145
111 HA ASP 77 HA ASP 77 3.317 8.534 1.246
112 HB3 ASP 77 HB2 ASP 77 1.654 6.308 0.070
113 H ASN 78 H ASN 78 2.766 9.813 -0.688
114 HA ASN 78 HA ASN 78 -0.013 10.787 -0.633
115 HB3 ASN 78 HB2 ASN 78 2.392 12.555 -1.087
116 HD21 ASN 78 1HD2 ASN 78 0.922 14.351 0.816
117 HD22 ASN 78 2HD2 ASN 78 -0.299 15.098 -0.153
Start of MODEL 10
1 H SER 57 1H SER 57 -10.789 -1.358 7.007
2 HA SER 57 HA SER 57 -11.340 1.063 7.084
3 HB3 SER 57 HB2 SER 57 -8.916 1.277 5.710
4 HG SER 57 HG SER 57 -9.388 1.926 7.888
5 H ASP 58 H ASP 58 -10.317 2.920 5.578
6 HA ASP 58 HA ASP 58 -12.157 3.284 3.474
7 HB3 ASP 58 HB2 ASP 58 -9.821 4.954 3.161
8 HA PRO 59 HA PRO 59 -10.521 1.437 -0.160
9 HB3 PRO 59 HB2 PRO 59 -10.959 2.760 -1.992
10 HG3 PRO 59 HG2 PRO 59 -12.905 2.986 -0.738
11 HD3 PRO 59 2HD PRO 59 -12.846 3.594 1.481
12 H LEU 60 H LEU 60 -8.737 3.715 1.552
13 HA LEU 60 HA LEU 60 -6.359 3.696 -0.024
14 HB3 LEU 60 HB2 LEU 60 -6.815 5.565 1.425
15 HG LEU 60 HG LEU 60 -7.820 3.952 3.304
16 HD11 LEU 60 1HD1 LEU 60 -6.410 3.334 4.970
17 HD12 LEU 60 2HD1 LEU 60 -5.300 4.674 4.682
18 HD13 LEU 60 3HD1 LEU 60 -5.271 3.263 3.625
19 HD21 LEU 60 3HD2 LEU 60 -6.503 6.337 4.431
20 HD22 LEU 60 1HD2 LEU 60 -8.200 5.860 4.448
21 HD23 LEU 60 2HD2 LEU 60 -7.510 6.607 3.008
22 H GLU 61 H GLU 61 -7.619 1.749 2.585
23 HA GLU 61 HA GLU 61 -5.236 0.525 3.415
24 HB3 GLU 61 HB2 GLU 61 -7.934 -0.813 3.388
25 HG3 GLU 61 HG2 GLU 61 -6.223 -0.925 5.765
26 H GLU 62 H GLU 62 -7.625 -0.493 1.013
27 HA GLU 62 HA GLU 62 -6.385 -2.892 0.271
28 HB3 GLU 62 HB2 GLU 62 -7.584 -2.470 -1.964
29 HG3 GLU 62 HG2 GLU 62 -9.296 -2.365 0.510
30 H TYR 63 H TYR 63 -5.719 0.415 -0.574
31 HA TYR 63 HA TYR 63 -4.251 -0.012 -2.917
32 HB3 TYR 63 HB2 TYR 63 -2.971 2.099 -1.657
33 HD1 TYR 63 1HD TYR 63 -6.347 1.531 -3.151
34 HD2 TYR 63 2HD TYR 63 -2.611 3.545 -3.392
35 HE1 TYR 63 1HE TYR 63 -7.057 2.579 -5.252
36 HE2 TYR 63 2HE TYR 63 -3.307 4.602 -5.492
37 HH TYR 63 HH TYR 63 -4.882 4.272 -7.292
38 H CYS 64 H CYS 64 -2.959 0.536 0.382
39 HA CYS 64 HA CYS 64 -0.361 -0.066 -0.262
40 HB3 CYS 64 HB2 CYS 64 -0.483 -1.009 2.320
41 H LYS 65 H LYS 65 -3.047 -2.160 0.094
42 HA LYS 65 HA LYS 65 -1.439 -4.562 0.256
43 HB3 LYS 65 HB2 LYS 65 -4.410 -4.106 -0.050
44 HG3 LYS 65 HG2 LYS 65 -3.897 -6.690 0.947
45 HD3 LYS 65 2HD LYS 65 -5.904 -5.926 -0.271
46 HE3 LYS 65 2HE LYS 65 -3.988 -5.891 -2.587
47 HZ1 LYS 65 3HZ LYS 65 -5.678 -6.969 -3.633
48 HZ2 LYS 65 1HZ LYS 65 -6.251 -5.384 -3.779
49 HZ3 LYS 65 2HZ LYS 65 -6.871 -6.399 -2.577
50 H ASP 66 H ASP 66 -3.003 -2.618 -2.193
51 HA ASP 66 HA ASP 66 -2.792 -4.704 -4.195
52 HB3 ASP 66 HB2 ASP 66 -3.509 -2.058 -5.182
53 H ASN 67 H ASN 67 -1.036 -1.654 -3.501
54 HA ASN 67 HA ASN 67 0.503 -2.130 -5.907
55 HB3 ASN 67 HB2 ASN 67 1.006 0.108 -6.014
56 HD21 ASN 67 1HD2 ASN 67 -1.550 0.061 -3.619
57 HD22 ASN 67 2HD2 ASN 67 -2.789 0.589 -4.691
58 HA PRO 68 HA PRO 68 3.438 -4.004 -3.037
59 HB3 PRO 68 HB2 PRO 68 3.352 -5.932 -4.240
60 HG3 PRO 68 HG2 PRO 68 2.565 -5.915 -6.425
61 HD3 PRO 68 2HD PRO 68 0.955 -4.674 -5.304
62 H GLU 69 H GLU 69 3.787 -1.600 -5.408
63 HA GLU 69 HA GLU 69 6.659 -1.545 -5.482
64 HB3 GLU 69 HB2 GLU 69 5.550 1.028 -6.075
65 HG3 GLU 69 HG2 GLU 69 6.751 -1.184 -7.689
66 H THR 70 H THR 70 4.205 0.439 -3.878
67 HA THR 70 HA THR 70 6.033 0.924 -1.644
68 HB THR 70 HB THR 70 4.612 3.143 -3.162
69 HG1 THR 70 1HG THR 70 6.512 2.730 -4.162
70 HG21 THR 70 3HG2 THR 70 6.069 3.189 -0.548
71 HG22 THR 70 1HG2 THR 70 4.467 3.815 -0.931
72 HG23 THR 70 2HG2 THR 70 5.901 4.624 -1.560
73 H ASN 71 H ASN 71 2.790 0.760 -2.952
74 HA ASN 71 HA ASN 71 1.456 1.370 -0.532
75 HB3 ASN 71 HB2 ASN 71 -0.146 -0.475 -1.828
76 HD21 ASN 71 1HD2 ASN 71 -0.197 1.826 -0.187
77 HD22 ASN 71 2HD2 ASN 71 -1.213 3.000 -0.938
78 H GLU 72 H GLU 72 3.427 -0.999 -1.668
79 HA GLU 72 HA GLU 72 2.906 -3.256 -0.037
80 HB3 GLU 72 HB2 GLU 72 4.472 -2.901 -2.167
81 HG3 GLU 72 HG2 GLU 72 6.018 -1.492 -0.460
82 H CYS 73 H CYS 73 3.221 -0.289 0.660
83 HA CYS 73 HA CYS 73 5.212 0.595 1.964
84 HB3 CYS 73 HB2 CYS 73 3.046 1.750 1.660
85 H ARG 74 H ARG 74 4.965 -2.124 2.616
86 HA ARG 74 HA ARG 74 4.422 -2.419 5.444
87 HB3 ARG 74 HB2 ARG 74 5.756 -4.383 3.575
88 HG3 ARG 74 HG2 ARG 74 5.415 -4.540 6.317
89 HD3 ARG 74 2HD ARG 74 2.927 -4.999 5.457
90 HE ARG 74 HE ARG 74 4.235 -7.319 4.576
91 HH11 ARG 74 1HH1 ARG 74 1.421 -6.363 6.402
92 HH12 ARG 74 2HH1 ARG 74 0.514 -7.779 5.984
93 HH21 ARG 74 1HH2 ARG 74 3.042 -9.177 4.018
94 HH22 ARG 74 2HH2 ARG 74 1.435 -9.376 4.629
95 H THR 75 H THR 75 7.091 -1.567 3.483
96 HA THR 75 HA THR 75 9.235 -1.008 3.915
97 HB THR 75 HB THR 75 7.916 -0.793 6.569
98 HG1 THR 75 1HG THR 75 7.939 0.844 4.858
99 HG21 THR 75 3HG2 THR 75 9.856 -1.348 7.607
100 HG22 THR 75 1HG2 THR 75 10.220 0.338 7.234
101 HG23 THR 75 2HG2 THR 75 10.850 -0.948 6.206
102 H TYR 76 H TYR 76 8.710 -2.925 6.862
103 HA TYR 76 HA TYR 76 11.085 -4.261 6.883
104 HB3 TYR 76 HB2 TYR 76 8.870 -5.997 7.699
105 HD1 TYR 76 1HD TYR 76 11.188 -7.188 7.915
106 HD2 TYR 76 2HD TYR 76 9.964 -3.895 10.313
107 HE1 TYR 76 1HE TYR 76 12.851 -7.817 9.615
108 HE2 TYR 76 2HE TYR 76 11.624 -4.511 12.019
109 HH TYR 76 HH TYR 76 12.894 -6.426 12.747
110 H ASP 77 H ASP 77 8.155 -6.047 5.908
111 HA ASP 77 HA ASP 77 9.576 -8.058 4.569
112 HB3 ASP 77 HB2 ASP 77 6.980 -7.843 3.413
113 H ASN 78 H ASN 78 10.071 -8.414 2.431
114 HA ASN 78 HA ASN 78 9.853 -6.061 0.673
115 HB3 ASN 78 HB2 ASN 78 11.838 -8.189 0.075
116 HD21 ASN 78 1HD2 ASN 78 12.008 -4.814 1.110
117 HD22 ASN 78 2HD2 ASN 78 12.633 -4.205 -0.381
Start of MODEL 11
1 H SER 57 1H SER 57 -12.235 -1.259 4.000
2 HA SER 57 HA SER 57 -12.455 0.392 6.413
3 HB3 SER 57 HB2 SER 57 -9.739 -0.015 5.810
4 HG SER 57 HG SER 57 -10.436 0.222 7.901
5 H ASP 58 H ASP 58 -10.433 2.005 6.027
6 HA ASP 58 HA ASP 58 -11.211 3.700 3.928
7 HB3 ASP 58 HB2 ASP 58 -8.470 4.159 4.754
8 HA PRO 59 HA PRO 59 -9.203 2.451 0.226
9 HB3 PRO 59 HB2 PRO 59 -8.523 4.292 -0.976
10 HG3 PRO 59 HG2 PRO 59 -10.573 4.982 -0.120
11 HD3 PRO 59 2HD PRO 59 -11.050 4.843 2.129
12 H LEU 60 H LEU 60 -7.413 3.136 2.996
13 HA LEU 60 HA LEU 60 -4.779 2.737 2.215
14 HB3 LEU 60 HB2 LEU 60 -6.010 1.800 4.805
15 HG LEU 60 HG LEU 60 -3.660 1.128 4.578
16 HD11 LEU 60 1HD1 LEU 60 -1.913 2.837 4.424
17 HD12 LEU 60 2HD1 LEU 60 -3.149 4.075 4.195
18 HD13 LEU 60 3HD1 LEU 60 -2.931 2.811 2.985
19 HD21 LEU 60 3HD2 LEU 60 -4.428 3.257 6.535
20 HD22 LEU 60 1HD2 LEU 60 -2.805 2.567 6.557
21 HD23 LEU 60 2HD2 LEU 60 -4.210 1.525 6.792
22 H GLU 61 H GLU 61 -7.258 0.365 3.094
23 HA GLU 61 HA GLU 61 -5.608 -1.907 2.993
24 HB3 GLU 61 HB2 GLU 61 -8.518 -1.955 2.248
25 HG3 GLU 61 HG2 GLU 61 -8.045 -3.868 4.159
26 H GLU 62 H GLU 62 -7.686 -0.441 0.540
27 HA GLU 62 HA GLU 62 -7.078 -2.289 -1.506
28 HB3 GLU 62 HB2 GLU 62 -7.843 -0.420 -3.042
29 HG3 GLU 62 HG2 GLU 62 -9.779 -0.966 -0.807
30 H TYR 63 H TYR 63 -5.444 0.498 -0.254
31 HA TYR 63 HA TYR 63 -3.865 1.155 -2.445
32 HB3 TYR 63 HB2 TYR 63 -2.201 1.474 -0.237
33 HD1 TYR 63 1HD TYR 63 -5.162 2.923 -1.943
34 HD2 TYR 63 2HD TYR 63 -1.285 3.604 -0.356
35 HE1 TYR 63 1HE TYR 63 -5.161 5.161 -2.939
36 HE2 TYR 63 2HE TYR 63 -1.256 5.841 -1.353
37 HH TYR 63 HH TYR 63 -3.618 6.876 -3.628
38 H CYS 64 H CYS 64 -2.887 -0.919 0.317
39 HA CYS 64 HA CYS 64 -0.577 -1.798 -1.019
40 HB3 CYS 64 HB2 CYS 64 -0.926 -3.850 0.670
41 H LYS 65 H LYS 65 -3.887 -2.606 -1.390
42 HA LYS 65 HA LYS 65 -3.562 -5.219 -2.466
43 HB3 LYS 65 HB2 LYS 65 -5.744 -3.176 -2.959
44 HG3 LYS 65 HG2 LYS 65 -6.371 -6.034 -3.153
45 HD3 LYS 65 2HD LYS 65 -7.970 -4.151 -3.540
46 HE3 LYS 65 2HE LYS 65 -6.531 -2.582 -4.677
47 HZ1 LYS 65 3HZ LYS 65 -6.185 -3.304 -7.193
48 HZ2 LYS 65 1HZ LYS 65 -6.067 -4.830 -6.468
49 HZ3 LYS 65 2HZ LYS 65 -5.022 -3.586 -5.998
50 H ASP 66 H ASP 66 -3.573 -1.942 -3.798
51 HA ASP 66 HA ASP 66 -3.028 -2.929 -6.486
52 HB3 ASP 66 HB2 ASP 66 -2.659 -0.257 -6.691
53 H ASN 67 H ASN 67 -1.396 -1.405 -3.779
54 HA ASN 67 HA ASN 67 1.208 -1.772 -5.102
55 HB3 ASN 67 HB2 ASN 67 1.943 0.190 -4.077
56 HD21 ASN 67 1HD2 ASN 67 -1.420 0.675 -3.408
57 HD22 ASN 67 2HD2 ASN 67 -1.719 1.767 -4.706
58 HA PRO 68 HA PRO 68 0.723 -4.420 -1.322
59 HB3 PRO 68 HB2 PRO 68 -0.340 -6.043 -2.552
60 HG3 PRO 68 HG2 PRO 68 0.154 -6.382 -4.798
61 HD3 PRO 68 2HD PRO 68 -0.235 -4.132 -4.912
62 H GLU 69 H GLU 69 3.424 -3.448 -3.092
63 HA GLU 69 HA GLU 69 5.079 -5.288 -1.491
64 HB3 GLU 69 HB2 GLU 69 6.939 -4.382 -3.037
65 HG3 GLU 69 HG2 GLU 69 4.828 -5.937 -4.483
66 H THR 70 H THR 70 5.303 -1.768 -2.496
67 HA THR 70 HA THR 70 5.902 -1.229 0.229
68 HB THR 70 HB THR 70 8.096 -1.993 -0.715
69 HG1 THR 70 1HG THR 70 8.522 -0.842 1.003
70 HG21 THR 70 3HG2 THR 70 9.363 -0.642 -2.145
71 HG22 THR 70 1HG2 THR 70 8.212 0.690 -2.044
72 HG23 THR 70 2HG2 THR 70 7.782 -0.782 -2.915
73 H ASN 71 H ASN 71 5.371 0.031 -2.894
74 HA ASN 71 HA ASN 71 5.679 2.663 -2.494
75 HB3 ASN 71 HB2 ASN 71 4.159 3.102 -4.217
76 HD21 ASN 71 1HD2 ASN 71 3.816 -0.386 -4.190
77 HD22 ASN 71 2HD2 ASN 71 4.863 -0.688 -5.532
78 H GLU 72 H GLU 72 2.910 0.787 -1.579
79 HA GLU 72 HA GLU 72 2.084 2.984 0.202
80 HB3 GLU 72 HB2 GLU 72 -0.144 2.157 0.111
81 HG3 GLU 72 HG2 GLU 72 -0.693 2.209 -2.255
82 H CYS 73 H CYS 73 3.346 -0.087 -0.195
83 HA CYS 73 HA CYS 73 2.607 -0.895 2.410
84 HB3 CYS 73 HB2 CYS 73 4.079 -2.828 1.009
85 H ARG 74 H ARG 74 4.698 1.148 1.915
86 HA ARG 74 HA ARG 74 7.280 0.165 2.264
87 HB3 ARG 74 HB2 ARG 74 6.085 2.745 3.292
88 HG3 ARG 74 HG2 ARG 74 8.313 2.149 4.294
89 HD3 ARG 74 2HD ARG 74 8.922 1.721 1.510
90 HE ARG 74 HE ARG 74 9.944 4.119 2.207
91 HH11 ARG 74 1HH1 ARG 74 11.394 0.984 1.697
92 HH12 ARG 74 2HH1 ARG 74 12.907 1.634 1.159
93 HH21 ARG 74 1HH2 ARG 74 11.934 4.973 1.500
94 HH22 ARG 74 2HH2 ARG 74 13.214 3.897 1.047
95 H THR 75 H THR 75 4.690 0.603 4.566
96 HA THR 75 HA THR 75 6.439 0.060 6.828
97 HB THR 75 HB THR 75 3.486 0.164 7.157
98 HG1 THR 75 1HG THR 75 3.427 2.365 6.886
99 HG21 THR 75 3HG2 THR 75 5.863 0.787 8.729
100 HG22 THR 75 1HG2 THR 75 4.248 0.305 9.246
101 HG23 THR 75 2HG2 THR 75 4.580 1.992 8.848
102 H TYR 76 H TYR 76 5.497 -1.555 8.486
103 HA TYR 76 HA TYR 76 5.025 -4.063 7.044
104 HB3 TYR 76 HB2 TYR 76 5.787 -3.742 9.949
105 HD1 TYR 76 1HD TYR 76 6.930 -5.904 7.141
106 HD2 TYR 76 2HD TYR 76 4.994 -5.709 10.924
107 HE1 TYR 76 1HE TYR 76 6.903 -8.360 7.247
108 HE2 TYR 76 2HE TYR 76 4.963 -8.166 11.041
109 HH TYR 76 HH TYR 76 5.714 -10.144 8.345
110 H ASP 77 H ASP 77 4.033 -2.682 10.184
111 HA ASP 77 HA ASP 77 1.285 -3.542 9.622
112 HB3 ASP 77 HB2 ASP 77 2.335 -3.922 12.393
113 H ASN 78 H ASN 78 -0.327 -2.463 10.927
114 HA ASN 78 HA ASN 78 0.616 0.034 12.165
115 HB3 ASN 78 HB2 ASN 78 -1.909 -0.071 10.528
116 HD21 ASN 78 1HD2 ASN 78 -2.760 1.411 12.014
117 HD22 ASN 78 2HD2 ASN 78 -2.213 3.049 12.068
Start of MODEL 12
1 H SER 57 1H SER 57 -11.919 -1.295 5.616
2 HA SER 57 HA SER 57 -12.006 1.149 6.081
3 HB3 SER 57 HB2 SER 57 -9.892 0.734 6.723
4 HG SER 57 HG SER 57 -10.145 -1.424 6.535
5 H ASP 58 H ASP 58 -10.209 2.851 5.124
6 HA ASP 58 HA ASP 58 -11.488 3.959 2.833
7 HB3 ASP 58 HB2 ASP 58 -8.919 5.158 3.320
8 HA PRO 59 HA PRO 59 -9.347 2.391 -0.666
9 HB3 PRO 59 HB2 PRO 59 -9.123 4.035 -2.261
10 HG3 PRO 59 HG2 PRO 59 -11.245 4.461 -1.407
11 HD3 PRO 59 2HD PRO 59 -11.608 4.718 0.852
12 H LEU 60 H LEU 60 -7.682 3.976 1.785
13 HA LEU 60 HA LEU 60 -5.030 3.786 0.790
14 HB3 LEU 60 HB2 LEU 60 -4.319 4.368 2.988
15 HG LEU 60 HG LEU 60 -6.992 5.693 2.527
16 HD11 LEU 60 1HD1 LEU 60 -5.788 7.525 3.906
17 HD12 LEU 60 2HD1 LEU 60 -4.805 6.190 4.503
18 HD13 LEU 60 3HD1 LEU 60 -6.553 6.176 4.745
19 HD21 LEU 60 3HD2 LEU 60 -5.388 5.970 0.691
20 HD22 LEU 60 1HD2 LEU 60 -4.195 6.584 1.836
21 HD23 LEU 60 2HD2 LEU 60 -5.681 7.486 1.544
22 H GLU 61 H GLU 61 -7.028 1.716 2.849
23 HA GLU 61 HA GLU 61 -5.048 -0.150 3.521
24 HB3 GLU 61 HB2 GLU 61 -8.029 -0.538 3.238
25 HG3 GLU 61 HG2 GLU 61 -7.232 -2.184 5.253
26 H GLU 62 H GLU 62 -7.516 -0.325 0.977
27 HA GLU 62 HA GLU 62 -6.674 -2.735 -0.150
28 HB3 GLU 62 HB2 GLU 62 -7.744 -1.848 -2.268
29 HG3 GLU 62 HG2 GLU 62 -8.972 -2.605 0.150
30 H TYR 63 H TYR 63 -5.412 0.498 -0.444
31 HA TYR 63 HA TYR 63 -3.955 0.136 -2.825
32 HB3 TYR 63 HB2 TYR 63 -2.401 1.839 -1.316
33 HD1 TYR 63 1HD TYR 63 -5.831 2.111 -2.798
34 HD2 TYR 63 2HD TYR 63 -1.770 3.369 -2.887
35 HE1 TYR 63 1HE TYR 63 -6.325 3.545 -4.729
36 HE2 TYR 63 2HE TYR 63 -2.249 4.805 -4.817
37 HH TYR 63 HH TYR 63 -4.117 5.902 -5.884
38 H CYS 64 H CYS 64 -2.729 0.107 0.542
39 HA CYS 64 HA CYS 64 -0.258 -0.864 -0.182
40 HB3 CYS 64 HB2 CYS 64 -1.231 -1.826 2.450
41 H LYS 65 H LYS 65 -3.228 -2.466 -0.281
42 HA LYS 65 HA LYS 65 -2.084 -5.119 -0.102
43 HB3 LYS 65 HB2 LYS 65 -4.840 -4.116 -0.850
44 HG3 LYS 65 HG2 LYS 65 -4.412 -6.966 -0.166
45 HD3 LYS 65 2HD LYS 65 -6.665 -6.062 -0.433
46 HE3 LYS 65 2HE LYS 65 -5.483 -4.920 -2.854
47 HZ1 LYS 65 3HZ LYS 65 -7.976 -5.074 -3.749
48 HZ2 LYS 65 1HZ LYS 65 -7.844 -6.605 -3.039
49 HZ3 LYS 65 2HZ LYS 65 -6.752 -6.134 -4.243
50 H ASP 66 H ASP 66 -3.259 -2.863 -2.591
51 HA ASP 66 HA ASP 66 -2.442 -4.712 -4.708
52 HB3 ASP 66 HB2 ASP 66 -3.587 -2.890 -6.137
53 H ASN 67 H ASN 67 -0.885 -2.171 -3.123
54 HA ASN 67 HA ASN 67 0.322 -1.099 -5.516
55 HB3 ASN 67 HB2 ASN 67 1.383 0.478 -3.858
56 HD21 ASN 67 1HD2 ASN 67 -1.959 -0.318 -3.355
57 HD22 ASN 67 2HD2 ASN 67 -2.608 1.053 -4.167
58 HA PRO 68 HA PRO 68 3.582 -4.300 -4.986
59 HB3 PRO 68 HB2 PRO 68 4.141 -4.634 -7.157
60 HG3 PRO 68 HG2 PRO 68 2.168 -4.320 -8.188
61 HD3 PRO 68 2HD PRO 68 0.765 -3.802 -6.481
62 H GLU 69 H GLU 69 3.601 -0.850 -5.602
63 HA GLU 69 HA GLU 69 6.296 -0.576 -4.462
64 HB3 GLU 69 HB2 GLU 69 5.496 1.957 -5.202
65 HG3 GLU 69 HG2 GLU 69 6.626 1.031 -7.517
66 H THR 70 H THR 70 2.948 0.148 -3.915
67 HA THR 70 HA THR 70 3.615 1.391 -1.323
68 HB THR 70 HB THR 70 0.864 1.824 -2.190
69 HG1 THR 70 1HG THR 70 2.935 2.915 -3.790
70 HG21 THR 70 3HG2 THR 70 2.051 4.276 -2.037
71 HG22 THR 70 1HG2 THR 70 3.020 3.310 -0.924
72 HG23 THR 70 2HG2 THR 70 1.274 3.423 -0.704
73 H ASN 71 H ASN 71 2.805 -1.432 -2.563
74 HA ASN 71 HA ASN 71 0.860 -2.178 -0.536
75 HB3 ASN 71 HB2 ASN 71 0.971 -3.218 -2.977
76 HD21 ASN 71 1HD2 ASN 71 3.728 -2.978 -2.660
77 HD22 ASN 71 2HD2 ASN 71 4.452 -4.525 -2.900
78 H GLU 72 H GLU 72 3.988 -1.680 -1.200
79 HA GLU 72 HA GLU 72 5.058 -3.397 0.935
80 HB3 GLU 72 HB2 GLU 72 6.305 -3.389 -1.209
81 HG3 GLU 72 HG2 GLU 72 6.275 -0.453 -0.793
82 H CYS 73 H CYS 73 3.516 -0.621 0.446
83 HA CYS 73 HA CYS 73 4.908 1.388 1.465
84 HB3 CYS 73 HB2 CYS 73 2.481 1.365 0.599
85 H ARG 74 H ARG 74 3.644 -1.299 3.120
86 HA ARG 74 HA ARG 74 3.425 -0.464 5.749
87 HB3 ARG 74 HB2 ARG 74 4.552 -3.091 4.759
88 HG3 ARG 74 HG2 ARG 74 2.951 -3.271 7.135
89 HD3 ARG 74 2HD ARG 74 5.595 -3.980 7.698
90 HE ARG 74 HE ARG 74 4.154 -5.675 8.253
91 HH11 ARG 74 1HH1 ARG 74 3.871 -5.007 4.839
92 HH12 ARG 74 2HH1 ARG 74 2.886 -6.394 4.522
93 HH21 ARG 74 1HH2 ARG 74 2.858 -7.502 7.837
94 HH22 ARG 74 2HH2 ARG 74 2.310 -7.811 6.223
95 H THR 75 H THR 75 6.259 -0.900 3.806
96 HA THR 75 HA THR 75 7.953 -0.194 6.112
97 HB THR 75 HB THR 75 9.232 -1.425 3.739
98 HG1 THR 75 1HG THR 75 8.450 -3.398 4.043
99 HG21 THR 75 3HG2 THR 75 9.912 -0.985 6.423
100 HG22 THR 75 1HG2 THR 75 10.861 -1.802 5.179
101 HG23 THR 75 2HG2 THR 75 9.779 -2.733 6.216
102 H TYR 76 H TYR 76 10.268 0.378 4.525
103 HA TYR 76 HA TYR 76 9.419 2.956 3.446
104 HB3 TYR 76 HB2 TYR 76 12.282 2.091 3.744
105 HD1 TYR 76 1HD TYR 76 10.165 4.933 4.913
106 HD2 TYR 76 2HD TYR 76 13.410 3.672 2.468
107 HE1 TYR 76 1HE TYR 76 10.652 7.279 4.361
108 HE2 TYR 76 2HE TYR 76 13.906 6.015 1.909
109 HH TYR 76 HH TYR 76 13.533 8.224 2.723
110 H ASP 77 H ASP 77 11.902 0.574 2.490
111 HA ASP 77 HA ASP 77 10.856 0.246 -0.130
112 HB3 ASP 77 HB2 ASP 77 13.487 1.653 -0.225
113 H ASN 78 H ASN 78 12.631 -0.815 -1.587
114 HA ASN 78 HA ASN 78 13.985 -2.608 -1.927
115 HB3 ASN 78 HB2 ASN 78 15.339 -2.290 0.704
116 HD21 ASN 78 1HD2 ASN 78 17.505 -1.078 -1.079
117 HD22 ASN 78 2HD2 ASN 78 18.213 -2.455 -1.845
Start of MODEL 13
1 H SER 57 1H SER 57 -13.276 -1.608 1.420
2 HA SER 57 HA SER 57 -12.818 -1.526 3.797
3 HB3 SER 57 HB2 SER 57 -10.963 -2.490 4.625
4 HG SER 57 HG SER 57 -11.268 -4.025 2.968
5 H ASP 58 H ASP 58 -10.917 0.130 4.606
6 HA ASP 58 HA ASP 58 -11.497 2.557 3.251
7 HB3 ASP 58 HB2 ASP 58 -9.196 2.735 5.009
8 HA PRO 59 HA PRO 59 -8.393 3.102 0.190
9 HB3 PRO 59 HB2 PRO 59 -7.774 5.319 0.076
10 HG3 PRO 59 HG2 PRO 59 -10.070 5.454 0.440
11 HD3 PRO 59 2HD PRO 59 -11.082 4.351 2.190
12 H LEU 60 H LEU 60 -7.555 2.629 3.414
13 HA LEU 60 HA LEU 60 -4.715 2.658 3.160
14 HB3 LEU 60 HB2 LEU 60 -6.553 1.494 5.245
15 HG LEU 60 HG LEU 60 -4.174 0.443 5.146
16 HD11 LEU 60 1HD1 LEU 60 -3.201 2.826 4.892
17 HD12 LEU 60 2HD1 LEU 60 -2.384 1.670 5.945
18 HD13 LEU 60 3HD1 LEU 60 -3.417 2.919 6.639
19 HD21 LEU 60 3HD2 LEU 60 -4.469 -0.096 7.310
20 HD22 LEU 60 1HD2 LEU 60 -5.992 0.769 7.114
21 HD23 LEU 60 2HD2 LEU 60 -4.601 1.586 7.823
22 H GLU 61 H GLU 61 -7.067 -0.007 3.500
23 HA GLU 61 HA GLU 61 -5.138 -2.031 3.036
24 HB3 GLU 61 HB2 GLU 61 -7.932 -2.690 2.386
25 HG3 GLU 61 HG2 GLU 61 -7.476 -4.232 4.429
26 H GLU 62 H GLU 62 -7.440 -0.372 0.949
27 HA GLU 62 HA GLU 62 -7.022 -1.989 -1.322
28 HB3 GLU 62 HB2 GLU 62 -7.834 0.067 -2.582
29 HG3 GLU 62 HG2 GLU 62 -9.681 -0.722 -0.352
30 H TYR 63 H TYR 63 -5.221 0.675 0.029
31 HA TYR 63 HA TYR 63 -3.835 1.316 -2.358
32 HB3 TYR 63 HB2 TYR 63 -2.120 1.879 -0.209
33 HD1 TYR 63 1HD TYR 63 -5.145 3.225 -1.920
34 HD2 TYR 63 2HD TYR 63 -1.111 3.882 -0.753
35 HE1 TYR 63 1HE TYR 63 -5.141 5.334 -3.170
36 HE2 TYR 63 2HE TYR 63 -1.084 5.997 -1.994
37 HH TYR 63 HH TYR 63 -2.988 7.721 -2.742
38 H CYS 64 H CYS 64 -2.654 -0.405 0.547
39 HA CYS 64 HA CYS 64 -0.285 -1.223 -0.613
40 HB3 CYS 64 HB2 CYS 64 -0.782 -3.274 1.121
41 H LYS 65 H LYS 65 -3.487 -2.349 -1.225
42 HA LYS 65 HA LYS 65 -2.614 -4.818 -2.457
43 HB3 LYS 65 HB2 LYS 65 -5.008 -4.219 -1.482
44 HG3 LYS 65 HG2 LYS 65 -5.087 -2.562 -3.729
45 HD3 LYS 65 2HD LYS 65 -6.861 -4.969 -4.105
46 HE3 LYS 65 2HE LYS 65 -6.849 -2.219 -5.182
47 HZ1 LYS 65 3HZ LYS 65 -6.315 -3.050 -7.225
48 HZ2 LYS 65 1HZ LYS 65 -7.987 -3.311 -7.245
49 HZ3 LYS 65 2HZ LYS 65 -6.936 -4.592 -6.908
50 H ASP 66 H ASP 66 -3.496 -1.530 -3.334
51 HA ASP 66 HA ASP 66 -3.136 -1.809 -6.152
52 HB3 ASP 66 HB2 ASP 66 -3.055 0.690 -6.081
53 H ASN 67 H ASN 67 -1.098 -1.334 -3.424
54 HA ASN 67 HA ASN 67 1.224 -0.441 -4.901
55 HB3 ASN 67 HB2 ASN 67 2.154 -0.143 -2.718
56 HD21 ASN 67 1HD2 ASN 67 -0.319 0.632 -0.993
57 HD22 ASN 67 2HD2 ASN 67 -0.804 2.125 -1.700
58 HA PRO 68 HA PRO 68 2.147 -4.950 -5.186
59 HB3 PRO 68 HB2 PRO 68 1.835 -4.898 -7.473
60 HG3 PRO 68 HG2 PRO 68 1.993 -2.891 -8.654
61 HD3 PRO 68 2HD PRO 68 0.517 -2.390 -6.941
62 H GLU 69 H GLU 69 4.259 -2.234 -6.063
63 HA GLU 69 HA GLU 69 6.511 -3.511 -4.682
64 HB3 GLU 69 HB2 GLU 69 7.832 -1.636 -5.793
65 HG3 GLU 69 HG2 GLU 69 6.879 -2.779 -8.195
66 H THR 70 H THR 70 4.044 -1.848 -3.795
67 HA THR 70 HA THR 70 5.411 -0.361 -1.698
68 HB THR 70 HB THR 70 4.995 1.561 -2.853
69 HG1 THR 70 1HG THR 70 3.464 2.432 -1.748
70 HG21 THR 70 3HG2 THR 70 4.304 1.167 -4.947
71 HG22 THR 70 1HG2 THR 70 2.741 1.658 -4.294
72 HG23 THR 70 2HG2 THR 70 3.132 -0.054 -4.450
73 H ASN 71 H ASN 71 3.832 -2.904 -2.196
74 HA ASN 71 HA ASN 71 1.399 -2.693 -0.699
75 HB3 ASN 71 HB2 ASN 71 1.459 -4.773 -1.755
76 HD21 ASN 71 1HD2 ASN 71 4.685 -4.149 -0.460
77 HD22 ASN 71 2HD2 ASN 71 5.522 -5.146 -1.591
78 H GLU 72 H GLU 72 4.357 -1.942 -0.272
79 HA GLU 72 HA GLU 72 4.781 -2.592 2.559
80 HB3 GLU 72 HB2 GLU 72 7.015 -2.263 2.195
81 HG3 GLU 72 HG2 GLU 72 6.188 -2.472 -0.692
82 H CYS 73 H CYS 73 3.044 -0.707 0.818
83 HA CYS 73 HA CYS 73 3.577 1.828 0.949
84 HB3 CYS 73 HB2 CYS 73 1.550 0.791 -0.094
85 H ARG 74 H ARG 74 4.290 0.674 3.391
86 HA ARG 74 HA ARG 74 2.717 1.589 5.580
87 HB3 ARG 74 HB2 ARG 74 5.645 0.861 5.382
88 HG3 ARG 74 HG2 ARG 74 4.427 2.272 7.503
89 HD3 ARG 74 2HD ARG 74 5.432 -0.220 8.695
90 HE ARG 74 HE ARG 74 3.576 1.864 9.441
91 HH11 ARG 74 1HH1 ARG 74 4.805 -1.317 10.190
92 HH12 ARG 74 2HH1 ARG 74 4.334 -1.243 11.855
93 HH21 ARG 74 1HH2 ARG 74 2.951 1.960 11.628
94 HH22 ARG 74 2HH2 ARG 74 3.278 0.619 12.671
95 H THR 75 H THR 75 5.115 3.054 3.530
96 HA THR 75 HA THR 75 5.411 5.390 5.224
97 HB THR 75 HB THR 75 6.453 5.455 2.457
98 HG1 THR 75 1HG THR 75 7.341 3.554 4.358
99 HG21 THR 75 3HG2 THR 75 8.418 5.643 4.533
100 HG22 THR 75 1HG2 THR 75 7.053 6.707 4.873
101 HG23 THR 75 2HG2 THR 75 7.918 6.844 3.344
102 H TYR 76 H TYR 76 5.583 7.405 3.297
103 HA TYR 76 HA TYR 76 2.748 7.704 2.591
104 HB3 TYR 76 HB2 TYR 76 4.481 10.084 2.466
105 HD1 TYR 76 1HD TYR 76 2.513 11.006 1.325
106 HD2 TYR 76 2HD TYR 76 2.249 9.440 5.270
107 HE1 TYR 76 1HE TYR 76 0.344 12.127 1.617
108 HE2 TYR 76 2HE TYR 76 0.078 10.556 5.575
109 HH TYR 76 HH TYR 76 -1.726 11.465 4.276
110 H ASP 77 H ASP 77 5.769 9.118 1.320
111 HA ASP 77 HA ASP 77 4.723 9.262 -1.328
112 HB3 ASP 77 HB2 ASP 77 7.659 9.400 -0.941
113 H ASN 78 H ASN 78 6.247 8.401 -3.169
114 HA ASN 78 HA ASN 78 6.163 5.527 -2.958
115 HB3 ASN 78 HB2 ASN 78 7.231 5.914 -5.390
116 HD21 ASN 78 1HD2 ASN 78 4.643 7.699 -6.055
117 HD22 ASN 78 2HD2 ASN 78 3.424 6.479 -6.148
Start of MODEL 14
1 H SER 57 1H SER 57 -11.979 -1.638 7.049
2 HA SER 57 HA SER 57 -11.129 0.384 7.669
3 HB3 SER 57 HB2 SER 57 -8.640 -0.056 6.456
4 HG SER 57 HG SER 57 -9.369 -1.625 8.642
5 H ASP 58 H ASP 58 -9.227 1.975 6.874
6 HA ASP 58 HA ASP 58 -10.419 3.733 5.037
7 HB3 ASP 58 HB2 ASP 58 -7.575 4.175 5.222
8 HA PRO 59 HA PRO 59 -9.291 2.547 0.963
9 HB3 PRO 59 HB2 PRO 59 -8.866 4.408 -0.326
10 HG3 PRO 59 HG2 PRO 59 -10.663 5.106 0.976
11 HD3 PRO 59 2HD PRO 59 -10.634 4.918 3.272
12 H LEU 60 H LEU 60 -6.930 3.157 3.285
13 HA LEU 60 HA LEU 60 -4.550 2.707 1.898
14 HB3 LEU 60 HB2 LEU 60 -5.265 2.052 4.756
15 HG LEU 60 HG LEU 60 -3.114 0.951 3.838
16 HD11 LEU 60 1HD1 LEU 60 -2.196 2.725 2.560
17 HD12 LEU 60 2HD1 LEU 60 -1.162 2.532 3.976
18 HD13 LEU 60 3HD1 LEU 60 -2.327 3.854 3.910
19 HD21 LEU 60 3HD2 LEU 60 -3.550 2.509 6.308
20 HD22 LEU 60 1HD2 LEU 60 -1.894 1.999 5.979
21 HD23 LEU 60 2HD2 LEU 60 -3.181 0.799 6.093
22 H GLU 61 H GLU 61 -7.003 0.497 3.023
23 HA GLU 61 HA GLU 61 -5.501 -1.875 2.961
24 HB3 GLU 61 HB2 GLU 61 -8.290 -2.181 2.128
25 HG3 GLU 61 HG2 GLU 61 -6.956 -2.991 4.699
26 H GLU 62 H GLU 62 -7.648 -0.500 0.497
27 HA GLU 62 HA GLU 62 -7.035 -2.398 -1.493
28 HB3 GLU 62 HB2 GLU 62 -7.834 -0.595 -3.087
29 HG3 GLU 62 HG2 GLU 62 -9.325 -2.121 -1.224
30 H TYR 63 H TYR 63 -5.430 0.450 -0.359
31 HA TYR 63 HA TYR 63 -3.892 1.084 -2.573
32 HB3 TYR 63 HB2 TYR 63 -2.184 1.434 -0.401
33 HD1 TYR 63 1HD TYR 63 -5.155 2.802 -2.138
34 HD2 TYR 63 2HD TYR 63 -1.332 3.609 -0.482
35 HE1 TYR 63 1HE TYR 63 -5.198 5.025 -3.156
36 HE2 TYR 63 2HE TYR 63 -1.345 5.831 -1.504
37 HH TYR 63 HH TYR 63 -3.688 6.775 -3.838
38 H CYS 64 H CYS 64 -2.854 -0.973 0.175
39 HA CYS 64 HA CYS 64 -0.560 -1.839 -1.176
40 HB3 CYS 64 HB2 CYS 64 -0.871 -3.910 0.479
41 H LYS 65 H LYS 65 -3.878 -2.687 -1.510
42 HA LYS 65 HA LYS 65 -3.562 -5.276 -2.623
43 HB3 LYS 65 HB2 LYS 65 -5.714 -3.246 -3.263
44 HG3 LYS 65 HG2 LYS 65 -6.357 -6.106 -3.108
45 HD3 LYS 65 2HD LYS 65 -8.020 -4.418 -3.700
46 HE3 LYS 65 2HE LYS 65 -5.928 -3.332 -5.245
47 HZ1 LYS 65 3HZ LYS 65 -6.377 -4.198 -7.259
48 HZ2 LYS 65 1HZ LYS 65 -7.609 -3.038 -7.275
49 HZ3 LYS 65 2HZ LYS 65 -7.961 -4.639 -6.859
50 H ASP 66 H ASP 66 -3.523 -2.000 -3.952
51 HA ASP 66 HA ASP 66 -2.937 -2.995 -6.633
52 HB3 ASP 66 HB2 ASP 66 -2.593 -0.117 -6.154
53 H ASN 67 H ASN 67 -1.361 -1.467 -3.903
54 HA ASN 67 HA ASN 67 1.277 -1.794 -5.172
55 HB3 ASN 67 HB2 ASN 67 1.972 0.134 -4.023
56 HD21 ASN 67 1HD2 ASN 67 -1.456 0.528 -3.651
57 HD22 ASN 67 2HD2 ASN 67 -1.655 1.665 -4.929
58 HA PRO 68 HA PRO 68 0.668 -4.607 -1.528
59 HB3 PRO 68 HB2 PRO 68 -0.235 -6.219 -2.877
60 HG3 PRO 68 HG2 PRO 68 0.395 -6.429 -5.110
61 HD3 PRO 68 2HD PRO 68 -0.151 -4.203 -5.085
62 H GLU 69 H GLU 69 3.472 -3.534 -3.138
63 HA GLU 69 HA GLU 69 5.039 -5.324 -1.395
64 HB3 GLU 69 HB2 GLU 69 6.966 -4.259 -2.868
65 HG3 GLU 69 HG2 GLU 69 5.131 -6.517 -3.449
66 H THR 70 H THR 70 5.310 -1.806 -2.420
67 HA THR 70 HA THR 70 5.710 -1.241 0.332
68 HB THR 70 HB THR 70 7.985 -0.327 -1.349
69 HG1 THR 70 1HG THR 70 9.057 -2.214 -1.036
70 HG21 THR 70 3HG2 THR 70 7.723 -1.086 1.539
71 HG22 THR 70 1HG2 THR 70 7.840 0.545 0.880
72 HG23 THR 70 2HG2 THR 70 9.211 -0.557 0.754
73 H ASN 71 H ASN 71 5.397 -0.015 -2.845
74 HA ASN 71 HA ASN 71 5.672 2.617 -2.488
75 HB3 ASN 71 HB2 ASN 71 4.234 3.020 -4.286
76 HD21 ASN 71 1HD2 ASN 71 3.833 -0.464 -4.176
77 HD22 ASN 71 2HD2 ASN 71 4.927 -0.818 -5.468
78 H GLU 72 H GLU 72 2.871 0.759 -1.622
79 HA GLU 72 HA GLU 72 1.981 3.004 0.067
80 HB3 GLU 72 HB2 GLU 72 -0.241 2.163 -0.071
81 HG3 GLU 72 HG2 GLU 72 -0.702 2.124 -2.468
82 H CYS 73 H CYS 73 3.273 -0.064 -0.203
83 HA CYS 73 HA CYS 73 2.417 -0.863 2.347
84 HB3 CYS 73 HB2 CYS 73 4.110 -2.723 1.132
85 H ARG 74 H ARG 74 4.406 1.306 2.026
86 HA ARG 74 HA ARG 74 6.965 0.335 2.783
87 HB3 ARG 74 HB2 ARG 74 5.740 3.077 3.140
88 HG3 ARG 74 HG2 ARG 74 8.673 2.503 2.946
89 HD3 ARG 74 2HD ARG 74 8.947 4.691 3.752
90 HE ARG 74 HE ARG 74 8.263 5.103 1.559
91 HH11 ARG 74 1HH1 ARG 74 5.520 4.957 3.724
92 HH12 ARG 74 2HH1 ARG 74 4.438 5.698 2.596
93 HH21 ARG 74 1HH2 ARG 74 6.834 6.076 0.082
94 HH22 ARG 74 2HH2 ARG 74 5.181 6.332 0.531
95 H THR 75 H THR 75 4.188 1.589 4.567
96 HA THR 75 HA THR 75 3.741 1.761 6.800
97 HB THR 75 HB THR 75 3.063 -0.427 6.755
98 HG1 THR 75 1HG THR 75 3.507 -0.671 8.768
99 HG21 THR 75 3HG2 THR 75 4.649 -1.226 5.069
100 HG22 THR 75 1HG2 THR 75 4.416 -2.381 6.380
101 HG23 THR 75 2HG2 THR 75 5.875 -1.393 6.327
102 H TYR 76 H TYR 76 4.850 0.768 9.076
103 HA TYR 76 HA TYR 76 6.788 2.639 9.738
104 HB3 TYR 76 HB2 TYR 76 6.987 0.166 11.297
105 HD1 TYR 76 1HD TYR 76 5.438 3.571 11.258
106 HD2 TYR 76 2HD TYR 76 7.789 0.731 13.380
107 HE1 TYR 76 1HE TYR 76 5.786 5.212 13.056
108 HE2 TYR 76 2HE TYR 76 8.144 2.364 15.185
109 HH TYR 76 HH TYR 76 6.496 4.704 15.900
110 H ASP 77 H ASP 77 7.168 -0.675 8.597
111 HA ASP 77 HA ASP 77 9.824 -0.125 7.673
112 HB3 ASP 77 HB2 ASP 77 9.741 -2.414 9.590
113 H ASN 78 H ASN 78 10.730 -1.914 6.442
114 HA ASN 78 HA ASN 78 9.075 -4.211 5.909
115 HB3 ASN 78 HB2 ASN 78 9.626 -2.694 3.427
116 HD21 ASN 78 1HD2 ASN 78 6.439 -3.001 4.638
117 HD22 ASN 78 2HD2 ASN 78 5.980 -4.387 3.716
Start of MODEL 15
1 H SER 57 1H SER 57 -12.938 -2.686 4.691
2 HA SER 57 HA SER 57 -12.454 -0.757 5.854
3 HB3 SER 57 HB2 SER 57 -9.718 -0.941 5.266
4 HG SER 57 HG SER 57 -11.203 -2.696 6.932
5 H ASP 58 H ASP 58 -10.561 1.003 5.880
6 HA ASP 58 HA ASP 58 -11.346 3.032 4.113
7 HB3 ASP 58 HB2 ASP 58 -8.669 3.469 5.118
8 HA PRO 59 HA PRO 59 -9.167 2.640 0.324
9 HB3 PRO 59 HB2 PRO 59 -8.554 4.715 -0.467
10 HG3 PRO 59 HG2 PRO 59 -10.662 5.117 0.434
11 HD3 PRO 59 2HD PRO 59 -11.187 4.517 2.595
12 H LEU 60 H LEU 60 -7.490 2.823 3.234
13 HA LEU 60 HA LEU 60 -4.819 2.640 2.361
14 HB3 LEU 60 HB2 LEU 60 -4.275 1.961 4.582
15 HG LEU 60 HG LEU 60 -6.587 3.875 4.560
16 HD11 LEU 60 1HD1 LEU 60 -6.570 4.151 6.829
17 HD12 LEU 60 2HD1 LEU 60 -4.930 3.524 7.005
18 HD13 LEU 60 3HD1 LEU 60 -6.273 2.416 6.725
19 HD21 LEU 60 3HD2 LEU 60 -4.028 4.223 3.811
20 HD22 LEU 60 1HD2 LEU 60 -3.896 4.599 5.529
21 HD23 LEU 60 2HD2 LEU 60 -5.021 5.501 4.511
22 H GLU 61 H GLU 61 -7.253 0.186 3.101
23 HA GLU 61 HA GLU 61 -5.608 -2.062 2.805
24 HB3 GLU 61 HB2 GLU 61 -8.074 -2.951 1.984
25 HG3 GLU 61 HG2 GLU 61 -8.552 -3.430 4.363
26 H GLU 62 H GLU 62 -7.660 -0.397 0.456
27 HA GLU 62 HA GLU 62 -7.071 -2.105 -1.711
28 HB3 GLU 62 HB2 GLU 62 -7.805 -0.145 -3.123
29 HG3 GLU 62 HG2 GLU 62 -9.696 -0.843 -0.885
30 H TYR 63 H TYR 63 -5.383 0.566 -0.268
31 HA TYR 63 HA TYR 63 -3.787 1.312 -2.429
32 HB3 TYR 63 HB2 TYR 63 -2.114 1.506 -0.223
33 HD1 TYR 63 1HD TYR 63 -5.173 3.150 -1.579
34 HD2 TYR 63 2HD TYR 63 -1.095 3.552 -0.477
35 HE1 TYR 63 1HE TYR 63 -5.171 5.438 -2.458
36 HE2 TYR 63 2HE TYR 63 -1.064 5.831 -1.361
37 HH TYR 63 HH TYR 63 -2.869 7.680 -1.755
38 H CYS 64 H CYS 64 -2.867 -0.909 0.238
39 HA CYS 64 HA CYS 64 -0.596 -1.788 -1.178
40 HB3 CYS 64 HB2 CYS 64 -0.872 -3.862 0.460
41 H LYS 65 H LYS 65 -3.933 -2.490 -1.475
42 HA LYS 65 HA LYS 65 -3.751 -5.084 -2.607
43 HB3 LYS 65 HB2 LYS 65 -5.803 -2.914 -3.110
44 HG3 LYS 65 HG2 LYS 65 -7.168 -5.213 -3.358
45 HD3 LYS 65 2HD LYS 65 -7.102 -4.850 -5.780
46 HE3 LYS 65 2HE LYS 65 -7.034 -2.063 -5.198
47 HZ1 LYS 65 3HZ LYS 65 -8.660 -3.648 -6.506
48 HZ2 LYS 65 1HZ LYS 65 -9.176 -2.157 -5.894
49 HZ3 LYS 65 2HZ LYS 65 -9.523 -3.583 -5.055
50 H ASP 66 H ASP 66 -3.560 -1.798 -3.882
51 HA ASP 66 HA ASP 66 -3.017 -2.776 -6.579
52 HB3 ASP 66 HB2 ASP 66 -2.543 -0.102 -6.714
53 H ASN 67 H ASN 67 -1.386 -1.339 -3.819
54 HA ASN 67 HA ASN 67 1.233 -1.781 -5.098
55 HB3 ASN 67 HB2 ASN 67 2.008 0.148 -4.015
56 HD21 ASN 67 1HD2 ASN 67 -1.417 0.624 -3.647
57 HD22 ASN 67 2HD2 ASN 67 -1.583 1.766 -4.927
58 HA PRO 68 HA PRO 68 0.582 -4.405 -1.319
59 HB3 PRO 68 HB2 PRO 68 -0.531 -5.989 -2.557
60 HG3 PRO 68 HG2 PRO 68 -0.028 -6.352 -4.795
61 HD3 PRO 68 2HD PRO 68 -0.312 -4.088 -4.928
62 H GLU 69 H GLU 69 3.348 -3.578 -3.075
63 HA GLU 69 HA GLU 69 4.895 -5.482 -1.454
64 HB3 GLU 69 HB2 GLU 69 6.343 -3.915 -3.465
65 HG3 GLU 69 HG2 GLU 69 6.806 -6.441 -4.124
66 H THR 70 H THR 70 5.317 -1.996 -2.471
67 HA THR 70 HA THR 70 6.056 -1.508 0.247
68 HB THR 70 HB THR 70 8.177 -2.257 -0.417
69 HG1 THR 70 1HG THR 70 9.365 -0.513 -0.014
70 HG21 THR 70 3HG2 THR 70 9.367 -1.381 -2.393
71 HG22 THR 70 1HG2 THR 70 7.874 -0.586 -2.892
72 HG23 THR 70 2HG2 THR 70 7.946 -2.345 -2.791
73 H ASN 71 H ASN 71 5.463 -0.178 -2.842
74 HA ASN 71 HA ASN 71 5.973 2.430 -2.337
75 HB3 ASN 71 HB2 ASN 71 4.698 2.995 -4.171
76 HD21 ASN 71 1HD2 ASN 71 3.859 -0.425 -4.050
77 HD22 ASN 71 2HD2 ASN 71 4.862 -0.903 -5.376
78 H GLU 72 H GLU 72 3.065 0.683 -1.556
79 HA GLU 72 HA GLU 72 2.252 2.971 0.118
80 HB3 GLU 72 HB2 GLU 72 0.003 2.260 -0.075
81 HG3 GLU 72 HG2 GLU 72 -0.360 2.057 -2.529
82 H CYS 73 H CYS 73 3.462 -0.125 -0.040
83 HA CYS 73 HA CYS 73 2.328 -0.874 2.404
84 HB3 CYS 73 HB2 CYS 73 4.126 -2.782 1.430
85 H ARG 74 H ARG 74 5.321 0.508 1.467
86 HA ARG 74 HA ARG 74 6.475 -0.257 4.073
87 HB3 ARG 74 HB2 ARG 74 8.670 0.475 2.984
88 HG3 ARG 74 HG2 ARG 74 8.597 -1.658 1.408
89 HD3 ARG 74 2HD ARG 74 8.684 -1.444 4.388
90 HE ARG 74 HE ARG 74 9.448 -3.998 3.262
91 HH11 ARG 74 1HH1 ARG 74 6.982 -2.180 4.938
92 HH12 ARG 74 2HH1 ARG 74 6.231 -3.585 5.613
93 HH21 ARG 74 1HH2 ARG 74 8.456 -5.846 4.147
94 HH22 ARG 74 2HH2 ARG 74 7.066 -5.665 5.164
95 H THR 75 H THR 75 6.068 2.415 1.799
96 HA THR 75 HA THR 75 6.652 4.281 4.007
97 HB THR 75 HB THR 75 6.756 5.163 1.159
98 HG1 THR 75 1HG THR 75 8.855 3.760 2.448
99 HG21 THR 75 3HG2 THR 75 8.867 6.287 2.194
100 HG22 THR 75 1HG2 THR 75 8.047 5.953 3.718
101 HG23 THR 75 2HG2 THR 75 7.259 6.950 2.495
102 H TYR 76 H TYR 76 4.717 4.038 1.020
103 HA TYR 76 HA TYR 76 2.691 4.864 0.445
104 HB3 TYR 76 HB2 TYR 76 2.440 4.295 3.363
105 HD1 TYR 76 1HD TYR 76 0.098 5.243 0.596
106 HD2 TYR 76 2HD TYR 76 0.991 5.429 4.750
107 HE1 TYR 76 1HE TYR 76 -1.961 6.532 0.975
108 HE2 TYR 76 2HE TYR 76 -1.064 6.719 5.141
109 HH TYR 76 HH TYR 76 -2.893 8.079 2.601
110 H ASP 77 H ASP 77 2.719 6.480 3.597
111 HA ASP 77 HA ASP 77 2.515 9.044 2.199
112 HB3 ASP 77 HB2 ASP 77 2.244 9.008 5.136
113 H ASN 78 H ASN 78 3.946 10.700 2.472
114 HA ASN 78 HA ASN 78 6.604 10.088 3.138
115 HB3 ASN 78 HB2 ASN 78 6.523 12.822 3.302
116 HD21 ASN 78 1HD2 ASN 78 8.531 11.674 2.585
117 HD22 ASN 78 2HD2 ASN 78 8.813 11.573 0.884
Start of MODEL 16
1 H SER 57 1H SER 57 -13.343 -0.950 4.318
2 HA SER 57 HA SER 57 -12.841 1.023 5.726
3 HB3 SER 57 HB2 SER 57 -10.107 1.242 5.198
4 HG SER 57 HG SER 57 -10.210 0.556 7.646
5 H ASP 58 H ASP 58 -11.424 2.878 4.612
6 HA ASP 58 HA ASP 58 -12.488 3.221 2.030
7 HB3 ASP 58 HB2 ASP 58 -10.152 4.874 2.487
8 HA PRO 59 HA PRO 59 -9.798 1.346 -0.887
9 HB3 PRO 59 HB2 PRO 59 -9.624 2.657 -2.774
10 HG3 PRO 59 HG2 PRO 59 -11.865 2.905 -2.199
11 HD3 PRO 59 2HD PRO 59 -12.505 3.535 -0.079
12 H LEU 60 H LEU 60 -8.629 3.641 1.279
13 HA LEU 60 HA LEU 60 -5.925 3.817 0.600
14 HB3 LEU 60 HB2 LEU 60 -7.257 3.954 3.304
15 HG LEU 60 HG LEU 60 -4.644 3.646 3.218
16 HD11 LEU 60 1HD1 LEU 60 -4.867 6.609 2.752
17 HD12 LEU 60 2HD1 LEU 60 -4.437 5.461 1.484
18 HD13 LEU 60 3HD1 LEU 60 -3.402 5.637 2.902
19 HD21 LEU 60 3HD2 LEU 60 -5.387 4.024 5.325
20 HD22 LEU 60 1HD2 LEU 60 -6.378 5.402 4.849
21 HD23 LEU 60 2HD2 LEU 60 -4.636 5.595 5.043
22 H GLU 61 H GLU 61 -7.568 1.583 2.832
23 HA GLU 61 HA GLU 61 -5.296 0.147 3.597
24 HB3 GLU 61 HB2 GLU 61 -7.667 -1.523 3.468
25 HG3 GLU 61 HG2 GLU 61 -7.446 -1.067 6.045
26 H GLU 62 H GLU 62 -7.644 -0.528 1.037
27 HA GLU 62 HA GLU 62 -6.432 -2.894 0.121
28 HB3 GLU 62 HB2 GLU 62 -7.638 -2.369 -2.043
29 HG3 GLU 62 HG2 GLU 62 -9.476 -2.138 0.318
30 H TYR 63 H TYR 63 -5.701 0.458 -0.413
31 HA TYR 63 HA TYR 63 -4.258 0.174 -2.808
32 HB3 TYR 63 HB2 TYR 63 -2.953 2.184 -1.431
33 HD1 TYR 63 1HD TYR 63 -6.372 1.802 -2.904
34 HD2 TYR 63 2HD TYR 63 -2.581 3.719 -3.082
35 HE1 TYR 63 1HE TYR 63 -7.087 3.014 -4.916
36 HE2 TYR 63 2HE TYR 63 -3.281 4.936 -5.094
37 HH TYR 63 HH TYR 63 -4.893 4.782 -6.877
38 H CYS 64 H CYS 64 -2.964 0.514 0.516
39 HA CYS 64 HA CYS 64 -0.370 -0.035 -0.168
40 HB3 CYS 64 HB2 CYS 64 -0.442 -1.074 2.366
41 H LYS 65 H LYS 65 -2.985 -2.292 0.318
42 HA LYS 65 HA LYS 65 -1.166 -4.547 0.186
43 HB3 LYS 65 HB2 LYS 65 -3.226 -4.633 1.590
44 HG3 LYS 65 HG2 LYS 65 -4.621 -3.597 -0.418
45 HD3 LYS 65 2HD LYS 65 -5.034 -6.574 -0.652
46 HE3 LYS 65 2HE LYS 65 -6.452 -5.353 -2.659
47 HZ1 LYS 65 3HZ LYS 65 -7.151 -7.216 -1.206
48 HZ2 LYS 65 1HZ LYS 65 -8.379 -6.087 -1.493
49 HZ3 LYS 65 2HZ LYS 65 -7.566 -6.095 -0.010
50 H ASP 66 H ASP 66 -2.991 -2.576 -1.995
51 HA ASP 66 HA ASP 66 -2.987 -4.568 -4.097
52 HB3 ASP 66 HB2 ASP 66 -3.887 -2.481 -5.403
53 H ASN 67 H ASN 67 -1.111 -1.586 -3.386
54 HA ASN 67 HA ASN 67 0.309 -2.030 -5.873
55 HB3 ASN 67 HB2 ASN 67 0.866 0.201 -5.952
56 HD21 ASN 67 1HD2 ASN 67 -1.638 0.161 -3.510
57 HD22 ASN 67 2HD2 ASN 67 -2.888 0.737 -4.545
58 HA PRO 68 HA PRO 68 3.309 -3.990 -3.142
59 HB3 PRO 68 HB2 PRO 68 3.173 -5.886 -4.384
60 HG3 PRO 68 HG2 PRO 68 2.321 -5.815 -6.545
61 HD3 PRO 68 2HD PRO 68 0.760 -4.583 -5.345
62 H GLU 69 H GLU 69 3.624 -1.526 -5.454
63 HA GLU 69 HA GLU 69 6.495 -1.507 -5.609
64 HB3 GLU 69 HB2 GLU 69 6.101 0.858 -6.487
65 HG3 GLU 69 HG2 GLU 69 4.857 0.082 -8.551
66 H THR 70 H THR 70 4.118 0.486 -3.905
67 HA THR 70 HA THR 70 6.009 0.898 -1.708
68 HB THR 70 HB THR 70 4.596 3.174 -3.150
69 HG1 THR 70 1HG THR 70 7.351 2.601 -2.797
70 HG21 THR 70 3HG2 THR 70 5.462 4.689 -1.589
71 HG22 THR 70 1HG2 THR 70 6.479 3.460 -0.837
72 HG23 THR 70 2HG2 THR 70 4.727 3.400 -0.637
73 H ASN 71 H ASN 71 2.734 0.817 -2.941
74 HA ASN 71 HA ASN 71 1.467 1.412 -0.484
75 HB3 ASN 71 HB2 ASN 71 -0.183 -0.405 -1.756
76 HD21 ASN 71 1HD2 ASN 71 -0.186 1.869 -0.087
77 HD22 ASN 71 2HD2 ASN 71 -1.202 3.065 -0.803
78 H GLU 72 H GLU 72 3.382 -0.975 -1.703
79 HA GLU 72 HA GLU 72 2.894 -3.254 -0.095
80 HB3 GLU 72 HB2 GLU 72 4.356 -3.184 -2.173
81 HG3 GLU 72 HG2 GLU 72 5.762 -1.215 -0.735
82 H CYS 73 H CYS 73 3.213 -0.297 0.649
83 HA CYS 73 HA CYS 73 5.207 0.572 1.955
84 HB3 CYS 73 HB2 CYS 73 3.011 1.698 1.664
85 H ARG 74 H ARG 74 4.964 -2.160 2.577
86 HA ARG 74 HA ARG 74 4.223 -2.825 5.191
87 HB3 ARG 74 HB2 ARG 74 6.418 -3.952 3.447
88 HG3 ARG 74 HG2 ARG 74 6.018 -4.478 6.199
89 HD3 ARG 74 2HD ARG 74 4.859 -6.502 4.362
90 HE ARG 74 HE ARG 74 6.988 -7.373 5.730
91 HH11 ARG 74 1HH1 ARG 74 3.566 -7.834 6.252
92 HH12 ARG 74 2HH1 ARG 74 3.765 -9.378 7.008
93 HH21 ARG 74 1HH2 ARG 74 7.247 -9.406 6.724
94 HH22 ARG 74 2HH2 ARG 74 5.850 -10.271 7.277
95 H THR 75 H THR 75 7.027 -1.161 3.976
96 HA THR 75 HA THR 75 8.091 -0.964 6.716
97 HB THR 75 HB THR 75 9.854 -0.239 4.455
98 HG1 THR 75 1HG THR 75 10.026 -2.183 3.625
99 HG21 THR 75 3HG2 THR 75 10.212 -0.836 7.127
100 HG22 THR 75 1HG2 THR 75 11.471 -0.671 5.903
101 HG23 THR 75 2HG2 THR 75 10.809 -2.262 6.280
102 H TYR 76 H TYR 76 9.856 1.170 6.236
103 HA TYR 76 HA TYR 76 7.984 3.361 5.617
104 HB3 TYR 76 HB2 TYR 76 10.195 3.968 7.472
105 HD1 TYR 76 1HD TYR 76 6.510 3.574 7.876
106 HD2 TYR 76 2HD TYR 76 9.804 6.254 7.620
107 HE1 TYR 76 1HE TYR 76 5.016 5.451 8.419
108 HE2 TYR 76 2HE TYR 76 8.320 8.139 8.162
109 HH TYR 76 HH TYR 76 5.199 8.166 7.864
110 H ASP 77 H ASP 77 11.489 3.131 6.252
111 HA ASP 77 HA ASP 77 12.144 5.096 4.343
112 HB3 ASP 77 HB2 ASP 77 13.653 4.798 6.138
113 H ASN 78 H ASN 78 13.545 4.763 2.460
114 HA ASN 78 HA ASN 78 13.750 2.204 1.227
115 HB3 ASN 78 HB2 ASN 78 12.174 3.719 -0.652
116 HD21 ASN 78 1HD2 ASN 78 9.879 2.285 -0.612
117 HD22 ASN 78 2HD2 ASN 78 10.221 0.605 -0.824
Start of MODEL 17
1 H SER 57 1H SER 57 -12.537 -1.798 5.171
2 HA SER 57 HA SER 57 -11.317 -0.954 7.151
3 HB3 SER 57 HB2 SER 57 -8.753 -0.850 5.992
4 HG SER 57 HG SER 57 -8.197 -1.988 7.843
5 H ASP 58 H ASP 58 -9.642 0.996 6.690
6 HA ASP 58 HA ASP 58 -11.036 2.833 5.096
7 HB3 ASP 58 HB2 ASP 58 -8.265 3.596 5.429
8 HA PRO 59 HA PRO 59 -9.767 2.471 0.913
9 HB3 PRO 59 HB2 PRO 59 -9.531 4.554 -0.047
10 HG3 PRO 59 HG2 PRO 59 -11.418 4.821 1.286
11 HD3 PRO 59 2HD PRO 59 -11.409 4.237 3.510
12 H LEU 60 H LEU 60 -7.478 2.971 3.346
13 HA LEU 60 HA LEU 60 -5.090 2.898 1.841
14 HB3 LEU 60 HB2 LEU 60 -5.636 2.097 4.699
15 HG LEU 60 HG LEU 60 -3.436 1.207 3.738
16 HD11 LEU 60 1HD1 LEU 60 -2.906 3.171 2.373
17 HD12 LEU 60 2HD1 LEU 60 -1.629 2.819 3.538
18 HD13 LEU 60 3HD1 LEU 60 -2.757 4.142 3.837
19 HD21 LEU 60 3HD2 LEU 60 -3.876 2.810 6.181
20 HD22 LEU 60 1HD2 LEU 60 -2.202 2.431 5.773
21 HD23 LEU 60 2HD2 LEU 60 -3.371 1.130 5.998
22 H GLU 61 H GLU 61 -7.284 0.434 2.947
23 HA GLU 61 HA GLU 61 -5.596 -1.794 2.806
24 HB3 GLU 61 HB2 GLU 61 -8.103 -2.706 1.997
25 HG3 GLU 61 HG2 GLU 61 -8.431 -3.422 4.252
26 H GLU 62 H GLU 62 -7.632 -0.291 0.344
27 HA GLU 62 HA GLU 62 -7.038 -2.136 -1.709
28 HB3 GLU 62 HB2 GLU 62 -7.767 -0.278 -3.245
29 HG3 GLU 62 HG2 GLU 62 -9.459 -1.316 -1.031
30 H TYR 63 H TYR 63 -5.354 0.616 -0.429
31 HA TYR 63 HA TYR 63 -3.739 1.210 -2.623
32 HB3 TYR 63 HB2 TYR 63 -2.107 1.550 -0.386
33 HD1 TYR 63 1HD TYR 63 -4.984 3.021 -2.216
34 HD2 TYR 63 2HD TYR 63 -1.134 3.655 -0.544
35 HE1 TYR 63 1HE TYR 63 -4.899 5.225 -3.278
36 HE2 TYR 63 2HE TYR 63 -1.025 5.861 -1.601
37 HH TYR 63 HH TYR 63 -3.735 7.388 -2.955
38 H CYS 64 H CYS 64 -2.844 -0.811 0.206
39 HA CYS 64 HA CYS 64 -0.539 -1.780 -1.077
40 HB3 CYS 64 HB2 CYS 64 -0.949 -3.778 0.655
41 H LYS 65 H LYS 65 -3.864 -2.502 -1.470
42 HA LYS 65 HA LYS 65 -3.610 -5.148 -2.479
43 HB3 LYS 65 HB2 LYS 65 -5.713 -3.067 -3.125
44 HG3 LYS 65 HG2 LYS 65 -6.334 -5.955 -3.076
45 HD3 LYS 65 2HD LYS 65 -8.075 -4.271 -3.437
46 HE3 LYS 65 2HE LYS 65 -6.236 -3.436 -5.639
47 HZ1 LYS 65 3HZ LYS 65 -8.222 -2.130 -6.476
48 HZ2 LYS 65 1HZ LYS 65 -9.187 -3.247 -5.647
49 HZ3 LYS 65 2HZ LYS 65 -8.162 -3.769 -6.889
50 H ASP 66 H ASP 66 -3.496 -1.907 -3.886
51 HA ASP 66 HA ASP 66 -2.934 -2.975 -6.541
52 HB3 ASP 66 HB2 ASP 66 -2.473 -0.303 -6.767
53 H ASN 67 H ASN 67 -1.306 -1.430 -3.842
54 HA ASN 67 HA ASN 67 1.311 -1.904 -5.107
55 HB3 ASN 67 HB2 ASN 67 2.082 0.062 -4.115
56 HD21 ASN 67 1HD2 ASN 67 -1.285 0.643 -3.547
57 HD22 ASN 67 2HD2 ASN 67 -1.523 1.712 -4.877
58 HA PRO 68 HA PRO 68 0.675 -4.448 -1.279
59 HB3 PRO 68 HB2 PRO 68 -0.388 -6.079 -2.497
60 HG3 PRO 68 HG2 PRO 68 0.149 -6.476 -4.725
61 HD3 PRO 68 2HD PRO 68 -0.204 -4.221 -4.883
62 H GLU 69 H GLU 69 3.443 -3.583 -3.012
63 HA GLU 69 HA GLU 69 5.012 -5.411 -1.313
64 HB3 GLU 69 HB2 GLU 69 6.168 -3.772 -3.539
65 HG3 GLU 69 HG2 GLU 69 6.918 -6.439 -2.363
66 H THR 70 H THR 70 5.352 -1.932 -2.419
67 HA THR 70 HA THR 70 5.889 -1.321 0.304
68 HB THR 70 HB THR 70 8.089 -2.167 -0.527
69 HG1 THR 70 1HG THR 70 7.835 0.479 0.422
70 HG21 THR 70 3HG2 THR 70 7.780 0.142 -2.374
71 HG22 THR 70 1HG2 THR 70 8.466 -1.457 -2.663
72 HG23 THR 70 2HG2 THR 70 9.381 -0.257 -1.752
73 H ASN 71 H ASN 71 5.482 -0.147 -2.874
74 HA ASN 71 HA ASN 71 5.850 2.485 -2.553
75 HB3 ASN 71 HB2 ASN 71 4.378 2.907 -4.326
76 HD21 ASN 71 1HD2 ASN 71 3.943 -0.569 -4.188
77 HD22 ASN 71 2HD2 ASN 71 5.009 -0.943 -5.496
78 H GLU 72 H GLU 72 3.012 0.714 -1.635
79 HA GLU 72 HA GLU 72 2.207 2.993 0.052
80 HB3 GLU 72 HB2 GLU 72 -0.039 2.207 -0.055
81 HG3 GLU 72 HG2 GLU 72 -0.538 2.210 -2.433
82 H CYS 73 H CYS 73 3.395 -0.122 -0.217
83 HA CYS 73 HA CYS 73 2.577 -0.832 2.388
84 HB3 CYS 73 HB2 CYS 73 4.068 -2.827 1.097
85 H ARG 74 H ARG 74 4.711 1.169 1.895
86 HA ARG 74 HA ARG 74 7.244 0.061 2.461
87 HB3 ARG 74 HB2 ARG 74 7.226 2.239 1.551
88 HG3 ARG 74 HG2 ARG 74 5.317 2.931 3.754
89 HD3 ARG 74 2HD ARG 74 5.786 5.257 2.343
90 HE ARG 74 HE ARG 74 6.762 4.516 5.025
91 HH11 ARG 74 1HH1 ARG 74 5.203 6.790 2.867
92 HH12 ARG 74 2HH1 ARG 74 4.806 7.898 4.132
93 HH21 ARG 74 1HH2 ARG 74 6.237 5.983 6.677
94 HH22 ARG 74 2HH2 ARG 74 5.391 7.445 6.290
95 H THR 75 H THR 75 4.529 0.843 4.465
96 HA THR 75 HA THR 75 5.703 1.235 6.940
97 HB THR 75 HB THR 75 3.270 -0.459 6.880
98 HG1 THR 75 1HG THR 75 3.231 2.197 5.895
99 HG21 THR 75 3HG2 THR 75 3.013 0.485 8.856
100 HG22 THR 75 1HG2 THR 75 2.801 2.043 8.059
101 HG23 THR 75 2HG2 THR 75 4.407 1.530 8.577
102 H TYR 76 H TYR 76 5.175 -0.535 8.780
103 HA TYR 76 HA TYR 76 6.990 -2.716 8.184
104 HB3 TYR 76 HB2 TYR 76 5.792 -2.738 10.845
105 HD1 TYR 76 1HD TYR 76 8.922 -1.050 9.836
106 HD2 TYR 76 2HD TYR 76 7.158 -4.618 11.336
107 HE1 TYR 76 1HE TYR 76 11.157 -1.918 10.379
108 HE2 TYR 76 2HE TYR 76 9.388 -5.498 11.884
109 HH TYR 76 HH TYR 76 11.682 -4.511 12.394
110 H ASP 77 H ASP 77 3.817 -2.526 9.811
111 HA ASP 77 HA ASP 77 3.306 -5.313 9.329
112 HB3 ASP 77 HB2 ASP 77 1.168 -3.402 10.186
113 H ASN 78 H ASN 78 1.435 -6.124 8.175
114 HA ASN 78 HA ASN 78 0.173 -6.360 6.297
115 HB3 ASN 78 HB2 ASN 78 -0.199 -3.444 5.916
116 HD21 ASN 78 1HD2 ASN 78 -2.579 -5.203 7.580
117 HD22 ASN 78 2HD2 ASN 78 -3.589 -5.574 6.229
Start of MODEL 18
1 H SER 57 1H SER 57 -11.667 -1.986 3.988
2 HA SER 57 HA SER 57 -11.678 -0.807 6.682
3 HB3 SER 57 HB2 SER 57 -9.060 -0.910 5.682
4 HG SER 57 HG SER 57 -9.588 -1.179 7.854
5 H ASP 58 H ASP 58 -9.813 0.987 6.418
6 HA ASP 58 HA ASP 58 -10.920 3.016 4.827
7 HB3 ASP 58 HB2 ASP 58 -8.124 3.496 5.412
8 HA PRO 59 HA PRO 59 -9.351 2.710 0.740
9 HB3 PRO 59 HB2 PRO 59 -8.905 4.805 -0.106
10 HG3 PRO 59 HG2 PRO 59 -10.860 5.152 1.110
11 HD3 PRO 59 2HD PRO 59 -11.037 4.515 3.317
12 H LEU 60 H LEU 60 -7.246 2.900 3.359
13 HA LEU 60 HA LEU 60 -4.752 2.725 2.022
14 HB3 LEU 60 HB2 LEU 60 -3.798 2.261 4.132
15 HG LEU 60 HG LEU 60 -6.196 4.033 4.428
16 HD11 LEU 60 1HD1 LEU 60 -5.959 4.315 6.660
17 HD12 LEU 60 2HD1 LEU 60 -4.233 3.948 6.637
18 HD13 LEU 60 3HD1 LEU 60 -5.415 2.640 6.568
19 HD21 LEU 60 3HD2 LEU 60 -4.739 5.730 4.119
20 HD22 LEU 60 1HD2 LEU 60 -3.784 4.479 3.326
21 HD23 LEU 60 2HD2 LEU 60 -3.443 4.922 4.999
22 H GLU 61 H GLU 61 -7.157 0.395 3.000
23 HA GLU 61 HA GLU 61 -5.621 -1.938 2.838
24 HB3 GLU 61 HB2 GLU 61 -8.558 -1.574 2.238
25 HG3 GLU 61 HG2 GLU 61 -7.957 -4.061 3.476
26 H GLU 62 H GLU 62 -7.705 -0.460 0.386
27 HA GLU 62 HA GLU 62 -7.058 -2.250 -1.679
28 HB3 GLU 62 HB2 GLU 62 -7.800 -0.367 -3.201
29 HG3 GLU 62 HG2 GLU 62 -10.005 -0.427 -1.318
30 H TYR 63 H TYR 63 -5.417 0.512 -0.382
31 HA TYR 63 HA TYR 63 -3.818 1.176 -2.558
32 HB3 TYR 63 HB2 TYR 63 -2.169 1.472 -0.335
33 HD1 TYR 63 1HD TYR 63 -5.132 2.973 -2.004
34 HD2 TYR 63 2HD TYR 63 -1.214 3.576 -0.485
35 HE1 TYR 63 1HE TYR 63 -5.108 5.217 -2.987
36 HE2 TYR 63 2HE TYR 63 -1.166 5.819 -1.464
37 HH TYR 63 HH TYR 63 -2.503 6.945 -3.571
38 H CYS 64 H CYS 64 -2.890 -0.919 0.201
39 HA CYS 64 HA CYS 64 -0.580 -1.817 -1.127
40 HB3 CYS 64 HB2 CYS 64 -0.911 -3.850 0.570
41 H LYS 65 H LYS 65 -3.895 -2.587 -1.501
42 HA LYS 65 HA LYS 65 -3.610 -5.208 -2.559
43 HB3 LYS 65 HB2 LYS 65 -5.739 -3.129 -3.121
44 HG3 LYS 65 HG2 LYS 65 -6.641 -5.850 -3.223
45 HD3 LYS 65 2HD LYS 65 -7.872 -3.944 -4.122
46 HE3 LYS 65 2HE LYS 65 -5.466 -3.705 -5.902
47 HZ1 LYS 65 3HZ LYS 65 -7.137 -3.620 -7.490
48 HZ2 LYS 65 1HZ LYS 65 -6.936 -1.991 -7.072
49 HZ3 LYS 65 2HZ LYS 65 -8.243 -2.869 -6.453
50 H ASP 66 H ASP 66 -3.531 -1.944 -3.910
51 HA ASP 66 HA ASP 66 -2.949 -2.962 -6.583
52 HB3 ASP 66 HB2 ASP 66 -2.600 -0.076 -6.034
53 H ASN 67 H ASN 67 -1.355 -1.437 -3.853
54 HA ASN 67 HA ASN 67 1.274 -1.842 -5.118
55 HB3 ASN 67 HB2 ASN 67 2.010 0.112 -4.056
56 HD21 ASN 67 1HD2 ASN 67 -1.382 0.622 -3.567
57 HD22 ASN 67 2HD2 ASN 67 -1.603 1.716 -4.881
58 HA PRO 68 HA PRO 68 0.655 -4.482 -1.351
59 HB3 PRO 68 HB2 PRO 68 -0.373 -6.097 -2.613
60 HG3 PRO 68 HG2 PRO 68 0.190 -6.442 -4.843
61 HD3 PRO 68 2HD PRO 68 -0.201 -4.190 -4.953
62 H GLU 69 H GLU 69 3.432 -3.553 -3.051
63 HA GLU 69 HA GLU 69 5.003 -5.384 -1.354
64 HB3 GLU 69 HB2 GLU 69 6.724 -3.983 -3.106
65 HG3 GLU 69 HG2 GLU 69 5.678 -6.761 -3.543
66 H THR 70 H THR 70 5.319 -1.892 -2.425
67 HA THR 70 HA THR 70 5.808 -1.299 0.312
68 HB THR 70 HB THR 70 8.029 -2.120 -0.516
69 HG1 THR 70 1HG THR 70 8.041 0.587 0.308
70 HG21 THR 70 3HG2 THR 70 8.111 0.501 -1.986
71 HG22 THR 70 1HG2 THR 70 7.948 -1.079 -2.751
72 HG23 THR 70 2HG2 THR 70 9.409 -0.684 -1.845
73 H ASN 71 H ASN 71 5.443 -0.104 -2.867
74 HA ASN 71 HA ASN 71 5.780 2.528 -2.529
75 HB3 ASN 71 HB2 ASN 71 4.326 2.947 -4.311
76 HD21 ASN 71 1HD2 ASN 71 3.868 -0.527 -4.179
77 HD22 ASN 71 2HD2 ASN 71 4.939 -0.907 -5.482
78 H GLU 72 H GLU 72 2.956 0.728 -1.623
79 HA GLU 72 HA GLU 72 2.125 2.998 0.062
80 HB3 GLU 72 HB2 GLU 72 -0.112 2.177 -0.040
81 HG3 GLU 72 HG2 GLU 72 -0.604 2.183 -2.427
82 H CYS 73 H CYS 73 3.339 -0.104 -0.204
83 HA CYS 73 HA CYS 73 2.512 -0.841 2.385
84 HB3 CYS 73 HB2 CYS 73 4.076 -2.791 1.118
85 H ARG 74 H ARG 74 4.616 1.216 1.925
86 HA ARG 74 HA ARG 74 7.097 0.018 2.756
87 HB3 ARG 74 HB2 ARG 74 7.116 2.008 1.341
88 HG3 ARG 74 HG2 ARG 74 6.076 3.571 3.687
89 HD3 ARG 74 2HD ARG 74 7.198 4.206 1.049
90 HE ARG 74 HE ARG 74 4.541 5.013 1.502
91 HH11 ARG 74 1HH1 ARG 74 7.630 6.328 0.547
92 HH12 ARG 74 2HH1 ARG 74 6.936 7.605 -0.393
93 HH21 ARG 74 1HH2 ARG 74 3.627 6.692 0.264
94 HH22 ARG 74 2HH2 ARG 74 4.663 7.812 -0.554
95 H THR 75 H THR 75 4.411 1.647 4.281
96 HA THR 75 HA THR 75 3.841 2.031 6.439
97 HB THR 75 HB THR 75 5.523 -0.429 6.563
98 HG1 THR 75 1HG THR 75 2.811 0.200 7.044
99 HG21 THR 75 3HG2 THR 75 6.072 0.057 8.704
100 HG22 THR 75 1HG2 THR 75 4.443 -0.558 8.990
101 HG23 THR 75 2HG2 THR 75 4.729 1.181 8.912
102 H TYR 76 H TYR 76 7.125 0.951 7.212
103 HA TYR 76 HA TYR 76 7.702 2.951 9.018
104 HB3 TYR 76 HB2 TYR 76 9.875 1.821 7.284
105 HD1 TYR 76 1HD TYR 76 8.784 1.840 10.865
106 HD2 TYR 76 2HD TYR 76 11.844 2.737 8.048
107 HE1 TYR 76 1HE TYR 76 10.254 2.562 12.700
108 HE2 TYR 76 2HE TYR 76 13.323 3.459 9.875
109 HH TYR 76 HH TYR 76 13.540 2.993 12.361
110 H ASP 77 H ASP 77 9.112 2.825 5.742
111 HA ASP 77 HA ASP 77 9.963 5.516 5.785
112 HB3 ASP 77 HB2 ASP 77 9.426 4.303 3.142
113 H ASN 78 H ASN 78 9.242 7.111 4.045
114 HA ASN 78 HA ASN 78 6.553 7.030 3.125
115 HB3 ASN 78 HB2 ASN 78 6.003 7.437 5.449
116 HD21 ASN 78 1HD2 ASN 78 6.041 8.831 7.296
117 HD22 ASN 78 2HD2 ASN 78 7.473 9.715 7.683
Start of MODEL 19
1 H SER 57 1H SER 57 -12.078 -1.803 4.821
2 HA SER 57 HA SER 57 -12.460 0.600 5.341
3 HB3 SER 57 HB2 SER 57 -10.423 0.368 6.266
4 HG SER 57 HG SER 57 -10.032 -1.710 4.368
5 H ASP 58 H ASP 58 -10.657 2.467 4.697
6 HA ASP 58 HA ASP 58 -11.701 3.607 2.314
7 HB3 ASP 58 HB2 ASP 58 -9.321 4.951 3.098
8 HA PRO 59 HA PRO 59 -9.043 2.273 -0.926
9 HB3 PRO 59 HB2 PRO 59 -9.349 3.985 -2.347
10 HG3 PRO 59 HG2 PRO 59 -10.293 5.910 -1.516
11 HD3 PRO 59 2HD PRO 59 -11.456 4.335 -0.261
12 H LEU 60 H LEU 60 -7.826 3.924 1.729
13 HA LEU 60 HA LEU 60 -5.058 3.907 1.141
14 HB3 LEU 60 HB2 LEU 60 -6.535 3.973 3.770
15 HG LEU 60 HG LEU 60 -4.080 3.228 3.945
16 HD11 LEU 60 1HD1 LEU 60 -2.382 4.751 3.562
17 HD12 LEU 60 2HD1 LEU 60 -3.480 6.130 3.545
18 HD13 LEU 60 3HD1 LEU 60 -3.447 5.011 2.181
19 HD21 LEU 60 3HD2 LEU 60 -3.700 4.885 5.830
20 HD22 LEU 60 1HD2 LEU 60 -5.187 3.938 5.898
21 HD23 LEU 60 2HD2 LEU 60 -5.232 5.618 5.357
22 H GLU 61 H GLU 61 -7.208 1.600 2.722
23 HA GLU 61 HA GLU 61 -5.121 -0.182 3.496
24 HB3 GLU 61 HB2 GLU 61 -7.732 -1.429 3.196
25 HG3 GLU 61 HG2 GLU 61 -7.546 -1.664 5.658
26 H GLU 62 H GLU 62 -7.542 -0.250 0.909
27 HA GLU 62 HA GLU 62 -6.742 -2.661 -0.254
28 HB3 GLU 62 HB2 GLU 62 -7.705 -1.669 -2.387
29 HG3 GLU 62 HG2 GLU 62 -9.087 -3.039 -0.921
30 H TYR 63 H TYR 63 -5.394 0.537 -0.444
31 HA TYR 63 HA TYR 63 -3.916 0.151 -2.819
32 HB3 TYR 63 HB2 TYR 63 -2.394 1.897 -1.359
33 HD1 TYR 63 1HD TYR 63 -5.841 2.062 -2.811
34 HD2 TYR 63 2HD TYR 63 -1.827 3.459 -2.921
35 HE1 TYR 63 1HE TYR 63 -6.389 3.465 -4.753
36 HE2 TYR 63 2HE TYR 63 -2.358 4.862 -4.860
37 HH TYR 63 HH TYR 63 -5.028 5.893 -5.713
38 H CYS 64 H CYS 64 -2.741 0.195 0.567
39 HA CYS 64 HA CYS 64 -0.247 -0.719 -0.141
40 HB3 CYS 64 HB2 CYS 64 -1.195 -1.603 2.533
41 H LYS 65 H LYS 65 -3.155 -2.489 -0.145
42 HA LYS 65 HA LYS 65 -1.752 -5.024 0.065
43 HB3 LYS 65 HB2 LYS 65 -4.100 -4.744 0.932
44 HG3 LYS 65 HG2 LYS 65 -4.675 -4.435 -1.973
45 HD3 LYS 65 2HD LYS 65 -6.565 -5.623 0.055
46 HE3 LYS 65 2HE LYS 65 -7.088 -4.054 -2.216
47 HZ1 LYS 65 3HZ LYS 65 -7.203 -6.907 -2.787
48 HZ2 LYS 65 1HZ LYS 65 -7.022 -5.597 -3.841
49 HZ3 LYS 65 2HZ LYS 65 -8.553 -5.999 -3.248
50 H ASP 66 H ASP 66 -3.193 -2.924 -2.404
51 HA ASP 66 HA ASP 66 -2.403 -4.789 -4.509
52 HB3 ASP 66 HB2 ASP 66 -3.731 -3.270 -5.953
53 H ASN 67 H ASN 67 -0.842 -2.164 -3.052
54 HA ASN 67 HA ASN 67 0.256 -1.135 -5.519
55 HB3 ASN 67 HB2 ASN 67 1.382 0.475 -3.910
56 HD21 ASN 67 1HD2 ASN 67 -1.960 -0.225 -3.318
57 HD22 ASN 67 2HD2 ASN 67 -2.599 1.118 -4.183
58 HA PRO 68 HA PRO 68 3.556 -4.313 -5.049
59 HB3 PRO 68 HB2 PRO 68 4.132 -4.601 -7.231
60 HG3 PRO 68 HG2 PRO 68 2.073 -4.439 -8.125
61 HD3 PRO 68 2HD PRO 68 0.700 -3.837 -6.433
62 H GLU 69 H GLU 69 3.574 -0.862 -5.663
63 HA GLU 69 HA GLU 69 6.287 -0.603 -4.555
64 HB3 GLU 69 HB2 GLU 69 4.697 1.658 -5.733
65 HG3 GLU 69 HG2 GLU 69 7.426 1.582 -6.524
66 H THR 70 H THR 70 2.955 0.168 -3.985
67 HA THR 70 HA THR 70 3.652 1.454 -1.423
68 HB THR 70 HB THR 70 0.897 1.890 -2.240
69 HG1 THR 70 1HG THR 70 1.191 2.938 -4.094
70 HG21 THR 70 3HG2 THR 70 1.201 3.850 -1.249
71 HG22 THR 70 1HG2 THR 70 2.633 4.213 -2.213
72 HG23 THR 70 2HG2 THR 70 2.775 3.229 -0.756
73 H ASN 71 H ASN 71 2.806 -1.386 -2.615
74 HA ASN 71 HA ASN 71 0.880 -2.079 -0.558
75 HB3 ASN 71 HB2 ASN 71 0.949 -3.166 -2.973
76 HD21 ASN 71 1HD2 ASN 71 3.716 -2.933 -2.684
77 HD22 ASN 71 2HD2 ASN 71 4.427 -4.488 -2.922
78 H GLU 72 H GLU 72 4.018 -1.622 -1.231
79 HA GLU 72 HA GLU 72 5.051 -3.365 0.904
80 HB3 GLU 72 HB2 GLU 72 6.322 -3.368 -1.214
81 HG3 GLU 72 HG2 GLU 72 6.276 -0.427 -0.824
82 H CYS 73 H CYS 73 3.587 -0.533 0.394
83 HA CYS 73 HA CYS 73 5.030 1.402 1.512
84 HB3 CYS 73 HB2 CYS 73 2.628 1.463 0.517
85 H ARG 74 H ARG 74 3.461 -1.214 3.027
86 HA ARG 74 HA ARG 74 3.524 -0.216 5.711
87 HB3 ARG 74 HB2 ARG 74 1.929 -1.955 4.978
88 HG3 ARG 74 HG2 ARG 74 4.417 -3.499 4.493
89 HD3 ARG 74 2HD ARG 74 2.917 -5.577 4.639
90 HE ARG 74 HE ARG 74 3.466 -4.727 7.346
91 HH11 ARG 74 1HH1 ARG 74 4.806 -5.968 4.370
92 HH12 ARG 74 2HH1 ARG 74 6.207 -6.638 5.137
93 HH21 ARG 74 1HH2 ARG 74 5.308 -5.606 8.352
94 HH22 ARG 74 2HH2 ARG 74 6.493 -6.432 7.396
95 H THR 75 H THR 75 5.762 -1.874 3.646
96 HA THR 75 HA THR 75 7.527 -2.542 5.870
97 HB THR 75 HB THR 75 8.523 -2.974 3.138
98 HG1 THR 75 1HG THR 75 6.176 -4.292 4.026
99 HG21 THR 75 3HG2 THR 75 8.003 -5.170 5.060
100 HG22 THR 75 1HG2 THR 75 9.258 -3.992 5.447
101 HG23 THR 75 2HG2 THR 75 9.352 -4.925 3.953
102 H TYR 76 H TYR 76 10.006 -2.228 4.751
103 HA TYR 76 HA TYR 76 10.480 0.533 5.161
104 HB3 TYR 76 HB2 TYR 76 12.483 -0.294 5.683
105 HD1 TYR 76 1HD TYR 76 11.536 -2.100 7.135
106 HD2 TYR 76 2HD TYR 76 12.813 -2.836 3.144
107 HE1 TYR 76 1HE TYR 76 11.624 -4.510 7.614
108 HE2 TYR 76 2HE TYR 76 12.903 -5.249 3.612
109 HH TYR 76 HH TYR 76 11.430 -6.705 6.058
110 H ASP 77 H ASP 77 12.426 1.235 3.363
111 HA ASP 77 HA ASP 77 10.853 1.575 0.914
112 HB3 ASP 77 HB2 ASP 77 13.308 3.145 1.272
113 H ASN 78 H ASN 78 12.341 -0.759 1.512
114 HA ASN 78 HA ASN 78 14.035 -0.844 -0.870
115 HB3 ASN 78 HB2 ASN 78 15.013 -2.406 1.455
116 HD21 ASN 78 1HD2 ASN 78 17.199 -2.811 1.293
117 HD22 ASN 78 2HD2 ASN 78 18.104 -2.472 -0.139
Start of MODEL 20
1 H SER 57 1H SER 57 -10.660 -3.746 2.824
2 HA SER 57 HA SER 57 -10.827 -3.524 5.747
3 HB3 SER 57 HB2 SER 57 -8.387 -2.460 4.895
4 HG SER 57 HG SER 57 -7.801 -4.760 5.864
5 H ASP 58 H ASP 58 -9.507 -1.224 5.994
6 HA ASP 58 HA ASP 58 -11.341 0.722 5.073
7 HB3 ASP 58 HB2 ASP 58 -8.916 1.967 5.883
8 HA PRO 59 HA PRO 59 -9.895 2.065 1.140
9 HB3 PRO 59 HB2 PRO 59 -10.789 4.127 1.146
10 HG3 PRO 59 HG2 PRO 59 -11.481 4.997 3.162
11 HD3 PRO 59 2HD PRO 59 -12.048 2.760 3.468
12 H LEU 60 H LEU 60 -7.939 2.255 3.854
13 HA LEU 60 HA LEU 60 -5.552 3.244 2.677
14 HB3 LEU 60 HB2 LEU 60 -4.458 2.560 4.700
15 HG LEU 60 HG LEU 60 -7.238 3.575 5.216
16 HD11 LEU 60 1HD1 LEU 60 -5.225 2.593 7.137
17 HD12 LEU 60 2HD1 LEU 60 -6.980 2.705 7.284
18 HD13 LEU 60 3HD1 LEU 60 -5.982 4.142 7.510
19 HD21 LEU 60 3HD2 LEU 60 -5.153 4.857 4.158
20 HD22 LEU 60 1HD2 LEU 60 -4.769 5.076 5.866
21 HD23 LEU 60 2HD2 LEU 60 -6.311 5.647 5.228
22 H GLU 61 H GLU 61 -6.586 -0.029 3.597
23 HA GLU 61 HA GLU 61 -4.370 -1.391 2.615
24 HB3 GLU 61 HB2 GLU 61 -6.402 -3.198 2.257
25 HG3 GLU 61 HG2 GLU 61 -6.060 -3.280 4.983
26 H GLU 62 H GLU 62 -7.000 0.054 0.909
27 HA GLU 62 HA GLU 62 -7.161 -1.424 -1.400
28 HB3 GLU 62 HB2 GLU 62 -7.406 0.861 -2.568
29 HG3 GLU 62 HG2 GLU 62 -9.192 -0.022 -0.322
30 H TYR 63 H TYR 63 -4.727 1.090 -0.623
31 HA TYR 63 HA TYR 63 -3.391 0.670 -3.084
32 HB3 TYR 63 HB2 TYR 63 -3.145 2.807 -2.244
33 HD1 TYR 63 1HD TYR 63 -1.215 1.015 0.317
34 HD2 TYR 63 2HD TYR 63 -4.188 3.943 -0.439
35 HE1 TYR 63 1HE TYR 63 -1.189 1.617 2.687
36 HE2 TYR 63 2HE TYR 63 -4.189 4.564 1.942
37 HH TYR 63 HH TYR 63 -2.505 2.699 4.331
38 H CYS 64 H CYS 64 -3.022 -0.419 0.281
39 HA CYS 64 HA CYS 64 -0.525 -1.592 -0.041
40 HB3 CYS 64 HB2 CYS 64 -1.540 -3.470 1.564
41 H LYS 65 H LYS 65 -3.629 -2.369 -1.297
42 HA LYS 65 HA LYS 65 -2.830 -4.932 -2.392
43 HB3 LYS 65 HB2 LYS 65 -5.185 -4.369 -3.616
44 HG3 LYS 65 HG2 LYS 65 -4.434 -6.161 -1.759
45 HD3 LYS 65 2HD LYS 65 -4.945 -4.464 0.041
46 HE3 LYS 65 2HE LYS 65 -7.220 -3.988 -1.358
47 HZ1 LYS 65 3HZ LYS 65 -9.042 -4.800 0.047
48 HZ2 LYS 65 1HZ LYS 65 -7.955 -5.784 0.892
49 HZ3 LYS 65 2HZ LYS 65 -8.247 -6.062 -0.750
50 H ASP 66 H ASP 66 -3.483 -1.590 -3.515
51 HA ASP 66 HA ASP 66 -3.096 -2.138 -6.283
52 HB3 ASP 66 HB2 ASP 66 -3.031 0.258 -6.548
53 H ASN 67 H ASN 67 -1.006 -1.205 -3.678
54 HA ASN 67 HA ASN 67 1.405 -0.921 -5.280
55 HB3 ASN 67 HB2 ASN 67 2.288 -0.531 -2.910
56 HD21 ASN 67 1HD2 ASN 67 -0.378 1.172 -2.301
57 HD22 ASN 67 2HD2 ASN 67 -0.074 2.618 -3.201
58 HA PRO 68 HA PRO 68 1.627 -5.430 -4.667
59 HB3 PRO 68 HB2 PRO 68 1.652 -5.667 -6.932
60 HG3 PRO 68 HG2 PRO 68 2.413 -3.933 -8.306
61 HD3 PRO 68 2HD PRO 68 0.834 -2.951 -6.907
62 H GLU 69 H GLU 69 4.437 -3.169 -4.789
63 HA GLU 69 HA GLU 69 5.971 -5.378 -3.590
64 HB3 GLU 69 HB2 GLU 69 7.430 -2.968 -4.421
65 HG3 GLU 69 HG2 GLU 69 8.230 -5.339 -5.753
66 H THR 70 H THR 70 5.908 -1.753 -2.961
67 HA THR 70 HA THR 70 6.318 -2.513 -0.154
68 HB THR 70 HB THR 70 8.145 -0.377 -0.949
69 HG1 THR 70 1HG THR 70 8.657 -3.017 -1.840
70 HG21 THR 70 3HG2 THR 70 8.348 -2.903 0.641
71 HG22 THR 70 1HG2 THR 70 8.432 -1.235 1.206
72 HG23 THR 70 2HG2 THR 70 9.754 -1.912 0.254
73 H ASN 71 H ASN 71 5.558 0.037 -2.396
74 HA ASN 71 HA ASN 71 5.107 2.033 -0.407
75 HB3 ASN 71 HB2 ASN 71 5.620 2.919 -2.515
76 HD21 ASN 71 1HD2 ASN 71 3.723 0.082 -2.770
77 HD22 ASN 71 2HD2 ASN 71 3.773 -0.053 -4.498
78 H GLU 72 H GLU 72 3.472 -0.657 -1.041
79 HA GLU 72 HA GLU 72 0.806 0.170 -1.038
80 HB3 GLU 72 HB2 GLU 72 2.193 -2.128 -1.581
81 HG3 GLU 72 HG2 GLU 72 0.725 -2.712 0.983
82 H CYS 73 H CYS 73 3.033 -1.177 1.258
83 HA CYS 73 HA CYS 73 1.245 -0.259 3.265
84 HB3 CYS 73 HB2 CYS 73 2.623 -2.228 4.419
85 H ARG 74 H ARG 74 3.639 1.113 2.034
86 HA ARG 74 HA ARG 74 5.359 1.384 4.390
87 HB3 ARG 74 HB2 ARG 74 6.422 3.088 2.570
88 HG3 ARG 74 HG2 ARG 74 6.934 0.177 2.232
89 HD3 ARG 74 2HD ARG 74 8.182 2.150 1.067
90 HE ARG 74 HE ARG 74 8.744 2.932 3.613
91 HH11 ARG 74 1HH1 ARG 74 10.673 1.831 0.920
92 HH12 ARG 74 2HH1 ARG 74 12.064 2.756 1.377
93 HH21 ARG 74 1HH2 ARG 74 10.573 4.148 4.216
94 HH22 ARG 74 2HH2 ARG 74 12.008 4.070 3.249
95 H THR 75 H THR 75 3.320 3.238 2.244
96 HA THR 75 HA THR 75 3.643 5.773 3.385
97 HB THR 75 HB THR 75 1.142 4.668 2.090
98 HG1 THR 75 1HG THR 75 3.312 6.015 0.865
99 HG21 THR 75 3HG2 THR 75 2.076 7.495 1.893
100 HG22 THR 75 1HG2 THR 75 1.099 6.967 3.262
101 HG23 THR 75 2HG2 THR 75 0.469 6.822 1.621
102 H TYR 76 H TYR 76 1.281 3.229 4.100
103 HA TYR 76 HA TYR 76 -0.220 2.951 5.784
104 HB3 TYR 76 HB2 TYR 76 2.262 3.962 7.124
105 HD1 TYR 76 1HD TYR 76 -0.988 2.366 8.084
106 HD2 TYR 76 2HD TYR 76 2.281 4.818 9.265
107 HE1 TYR 76 1HE TYR 76 -2.032 2.687 10.287
108 HE2 TYR 76 2HE TYR 76 1.247 5.146 11.471
109 HH TYR 76 HH TYR 76 -1.242 3.264 12.634
110 H ASP 77 H ASP 77 1.148 5.773 7.397
111 HA ASP 77 HA ASP 77 -1.361 6.921 7.881
112 HB3 ASP 77 HB2 ASP 77 0.381 7.447 9.387
113 H ASN 78 H ASN 78 -1.677 9.365 7.301
114 HA ASN 78 HA ASN 78 -2.118 9.484 4.499
115 HB3 ASN 78 HB2 ASN 78 -2.197 12.024 6.008
116 HD21 ASN 78 1HD2 ASN 78 -4.631 9.655 5.027
117 HD22 ASN 78 2HD2 ASN 78 -5.354 10.644 3.809