Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26696 | 2nx7 RC | 15104 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ALA 1 HA ALA 1 7.795 -12.351 -1.319
2 H1 ALA 1 1H ALA 1 7.458 -13.957 -3.181
3 H2 ALA 1 2H ALA 1 8.937 -14.036 -2.316
4 H3 ALA 1 3H ALA 1 8.885 -13.298 -3.864
5 HB1 ALA 1 3HB ALA 1 10.183 -11.896 -2.325
6 HB2 ALA 1 1HB ALA 1 9.270 -10.614 -1.528
7 HB3 ALA 1 2HB ALA 1 9.304 -10.708 -3.288
8 H GLN 2 H GLN 2 5.592 -12.372 -1.820
9 HA GLN 2 HA GLN 2 4.734 -10.827 -4.154
10 HB2 GLN 2 1HB GLN 2 3.499 -12.914 -2.457
11 HB3 GLN 2 2HB GLN 2 2.415 -11.691 -3.094
12 HG2 GLN 2 1HG GLN 2 4.056 -12.508 -5.229
13 HG3 GLN 2 2HG GLN 2 3.531 -13.971 -4.397
14 HE21 GLN 2 1HE2 GLN 2 2.616 -11.340 -6.393
15 HE22 GLN 2 2HE2 GLN 2 0.970 -11.806 -6.640
16 H ASN 3 H ASN 3 3.080 -9.219 -3.934
17 HA ASN 3 HA ASN 3 3.217 -7.811 -1.364
18 HB2 ASN 3 1HB ASN 3 4.204 -6.341 -2.814
19 HB3 ASN 3 2HB ASN 3 3.279 -6.907 -4.192
20 HD21 ASN 3 1HD2 ASN 3 2.762 -4.925 -4.859
21 HD22 ASN 3 2HD2 ASN 3 1.650 -3.884 -4.038
22 HA PRO 4 HA PRO 4 -1.205 -9.089 -1.759
23 HB2 PRO 4 1HB PRO 4 -1.812 -8.929 0.886
24 HB3 PRO 4 2HB PRO 4 -1.078 -10.353 0.142
25 HG2 PRO 4 1HG PRO 4 0.226 -8.131 1.672
26 HG3 PRO 4 2HG PRO 4 0.505 -9.880 1.782
27 HD2 PRO 4 1HD PRO 4 2.149 -8.255 0.439
28 HD3 PRO 4 2HD PRO 4 1.829 -9.915 -0.107
29 H CYS 5 H CYS 5 0.249 -6.276 -0.452
30 HA CYS 5 HA CYS 5 -2.015 -4.839 0.273
31 HB2 CYS 5 1HB CYS 5 0.566 -3.701 -0.821
32 HB3 CYS 5 2HB CYS 5 -0.605 -2.901 0.215
33 H SER 6 H SER 6 -0.513 -5.415 -2.830
34 HA SER 6 HA SER 6 -1.904 -3.487 -4.339
35 HG SER 6 HG SER 6 0.655 -4.645 -6.307
36 HB2 SER 6 1HB SER 6 -0.614 -6.112 -5.015
37 HB3 SER 6 2HB SER 6 -1.534 -5.226 -6.229
38 H LEU 7 H LEU 7 -2.720 -6.686 -3.231
39 HA LEU 7 HA LEU 7 -5.055 -7.097 -4.784
40 HG LEU 7 HG LEU 7 -6.369 -9.014 -4.155
41 HB2 LEU 7 1HB LEU 7 -3.572 -8.681 -3.218
42 HB3 LEU 7 2HB LEU 7 -4.835 -8.297 -2.084
43 HD11 LEU 7 1HD1 LEU 7 -5.273 -11.089 -5.121
44 HD12 LEU 7 2HD1 LEU 7 -3.745 -10.419 -4.550
45 HD13 LEU 7 3HD1 LEU 7 -4.707 -9.535 -5.734
46 HD21 LEU 7 3HD2 LEU 7 -6.553 -11.212 -3.117
47 HD22 LEU 7 1HD2 LEU 7 -6.454 -9.943 -1.896
48 HD23 LEU 7 2HD2 LEU 7 -5.041 -10.938 -2.249
49 H GLN 8 H GLN 8 -4.421 -5.735 -1.654
50 HA GLN 8 HA GLN 8 -7.230 -5.302 -1.076
51 HB2 GLN 8 1HB GLN 8 -6.511 -4.391 1.017
52 HB3 GLN 8 2HB GLN 8 -5.580 -5.844 0.705
53 HG2 GLN 8 1HG GLN 8 -3.642 -4.741 0.617
54 HG3 GLN 8 2HG GLN 8 -4.338 -3.350 -0.204
55 HE21 GLN 8 1HE2 GLN 8 -2.927 -4.355 2.574
56 HE22 GLN 8 2HE2 GLN 8 -3.520 -3.149 3.659
57 H GLN 9 H GLN 9 -4.513 -3.544 -2.261
58 HA GLN 9 HA GLN 9 -6.233 -1.283 -2.951
59 HB2 GLN 9 1HB GLN 9 -3.642 -1.102 -1.419
60 HB3 GLN 9 2HB GLN 9 -4.341 0.267 -2.272
61 HG2 GLN 9 1HG GLN 9 -6.463 -0.321 -0.860
62 HG3 GLN 9 2HG GLN 9 -5.293 -1.120 0.188
63 HE21 GLN 9 1HE2 GLN 9 -3.589 0.197 1.129
64 HE22 GLN 9 2HE2 GLN 9 -3.840 1.889 1.353
65 HA PRO 10 HA PRO 10 -4.006 -2.675 -6.717
66 HB2 PRO 10 1HB PRO 10 -5.688 -0.392 -7.668
67 HB3 PRO 10 2HB PRO 10 -5.395 -1.963 -8.424
68 HG2 PRO 10 1HG PRO 10 -7.678 -1.500 -7.156
69 HG3 PRO 10 2HG PRO 10 -6.865 -3.069 -7.003
70 HD2 PRO 10 1HD PRO 10 -7.039 -0.822 -5.055
71 HD3 PRO 10 2HD PRO 10 -6.985 -2.573 -4.759
72 H GLY 11 H GLY 11 -2.398 -1.749 -7.973
73 HA2 GLY 11 1HA GLY 11 -0.802 -0.192 -8.627
74 HA3 GLY 11 2HA GLY 11 -1.741 1.039 -7.818
75 H CYS 12 H CYS 12 -1.567 -0.602 -5.240
76 HA CYS 12 HA CYS 12 0.493 0.745 -4.031
77 HB2 CYS 12 1HB CYS 12 -1.281 -0.474 -2.863
78 HB3 CYS 12 2HB CYS 12 -0.502 -1.975 -3.305
79 H SER 13 H SER 13 2.481 0.711 -4.309
80 HA SER 13 HA SER 13 4.053 -1.142 -5.675
81 HG SER 13 HG SER 13 6.809 0.467 -3.922
82 HB2 SER 13 1HB SER 13 4.841 1.101 -5.465
83 HB3 SER 13 2HB SER 13 4.791 1.021 -3.708
84 H SER 14 H SER 14 5.112 -2.955 -5.046
85 HA SER 14 HA SER 14 4.439 -4.268 -2.647
86 HG SER 14 HG SER 14 5.334 -4.871 -5.762
87 HB2 SER 14 1HB SER 14 6.932 -4.730 -4.276
88 HB3 SER 14 2HB SER 14 6.097 -5.894 -3.250
89 H ALA 15 H ALA 15 7.022 -2.146 -3.548
90 HA ALA 15 HA ALA 15 8.742 -2.522 -1.367
91 HB1 ALA 15 3HB ALA 15 9.900 -1.393 -2.934
92 HB2 ALA 15 1HB ALA 15 9.268 0.028 -2.102
93 HB3 ALA 15 2HB ALA 15 8.466 -0.576 -3.553
94 H CYS 16 H CYS 16 5.680 -1.124 -1.528
95 HA CYS 16 HA CYS 16 6.105 0.792 0.602
96 HB2 CYS 16 1HB CYS 16 3.609 -0.238 -0.763
97 HB3 CYS 16 2HB CYS 16 3.549 0.853 0.612
98 H ALA 17 H ALA 17 5.436 -2.555 0.246
99 HA ALA 17 HA ALA 17 4.157 -2.949 2.777
100 HB1 ALA 17 3HB ALA 17 5.454 -5.340 1.990
101 HB2 ALA 17 1HB ALA 17 4.850 -4.558 0.530
102 HB3 ALA 17 2HB ALA 17 3.742 -4.932 1.851
103 HA PRO 18 HA PRO 18 4.216 -4.961 4.144
104 HB2 PRO 18 1HB PRO 18 4.243 -5.112 6.810
105 HB3 PRO 18 2HB PRO 18 5.256 -6.157 5.807
106 HG2 PRO 18 1HG PRO 18 5.988 -3.659 7.293
107 HG3 PRO 18 2HG PRO 18 6.870 -5.194 7.186
108 HD2 PRO 18 1HD PRO 18 7.496 -3.009 5.682
109 HD3 PRO 18 2HD PRO 18 7.780 -4.675 5.150
110 H ALA 19 H ALA 19 5.021 -1.775 5.011
111 HA ALA 19 HA ALA 19 2.843 -1.090 6.661
112 HB1 ALA 19 3HB ALA 19 3.588 1.221 5.281
113 HB2 ALA 19 1HB ALA 19 5.063 0.264 5.427
114 HB3 ALA 19 2HB ALA 19 4.145 0.696 6.869
115 H CYS 20 H CYS 20 3.446 -0.392 3.266
116 HA CYS 20 HA CYS 20 2.161 0.078 1.547
117 HB2 CYS 20 1HB CYS 20 0.164 -1.753 2.847
118 HB3 CYS 20 2HB CYS 20 0.351 -1.391 1.145
119 H ARG 21 H ARG 21 2.026 2.102 3.308
120 HA ARG 21 HA ARG 21 -0.576 2.784 4.198
121 HE ARG 21 HE ARG 21 4.034 5.429 4.386
122 HB2 ARG 21 1HB ARG 21 1.706 4.657 3.559
123 HB3 ARG 21 2HB ARG 21 0.307 5.019 4.556
124 HG2 ARG 21 1HG ARG 21 1.550 4.432 6.295
125 HG3 ARG 21 2HG ARG 21 1.376 2.767 5.739
126 HD2 ARG 21 1HD ARG 21 3.685 3.068 5.998
127 HD3 ARG 21 2HD ARG 21 3.406 3.224 4.265
128 HH11 ARG 21 1HH1 ARG 21 3.548 4.194 7.615
129 HH12 ARG 21 2HH1 ARG 21 4.237 5.584 8.384
130 HH21 ARG 21 1HH2 ARG 21 4.940 7.256 5.397
131 HH22 ARG 21 2HH2 ARG 21 5.027 7.322 7.125
132 H LEU 22 H LEU 22 -2.027 4.274 3.393
133 HA LEU 22 HA LEU 22 -2.838 4.052 0.814
134 HG LEU 22 HG LEU 22 -3.878 6.547 0.020
135 HB2 LEU 22 1HB LEU 22 -4.266 5.009 2.525
136 HB3 LEU 22 2HB LEU 22 -3.235 6.425 2.628
137 HD11 LEU 22 1HD1 LEU 22 -6.304 6.047 -0.166
138 HD12 LEU 22 2HD1 LEU 22 -6.208 5.210 1.383
139 HD13 LEU 22 3HD1 LEU 22 -5.293 4.612 -0.001
140 HD21 LEU 22 3HD2 LEU 22 -5.562 7.573 2.302
141 HD22 LEU 22 1HD2 LEU 22 -5.564 8.200 0.653
142 HD23 LEU 22 2HD2 LEU 22 -4.117 8.344 1.650
143 H SER 23 H SER 23 -1.056 6.786 2.130
144 HA SER 23 HA SER 23 -0.685 8.195 -0.239
145 HG SER 23 HG SER 23 1.886 8.558 2.888
146 HB2 SER 23 1HB SER 23 1.193 9.307 0.907
147 HB3 SER 23 2HB SER 23 -0.214 9.156 1.960
148 H CYS 24 H CYS 24 0.972 5.365 0.917
149 HA CYS 24 HA CYS 24 3.072 5.670 -1.068
150 HB2 CYS 24 1HB CYS 24 3.577 4.882 1.304
151 HB3 CYS 24 2HB CYS 24 2.724 3.396 0.902
152 H CYS 25 H CYS 25 0.393 3.419 -0.351
153 HA CYS 25 HA CYS 25 0.999 1.620 -2.377
154 HB2 CYS 25 1HB CYS 25 -1.543 2.331 -0.983
155 HB3 CYS 25 2HB CYS 25 -1.545 1.172 -2.299
156 H SER 26 H SER 26 -1.542 4.081 -2.552
157 HA SER 26 HA SER 26 -1.628 3.875 -5.395
158 HG SER 26 HG SER 26 -3.617 6.017 -2.743
159 HB2 SER 26 1HB SER 26 -3.396 5.479 -5.313
160 HB3 SER 26 2HB SER 26 -3.609 4.332 -3.990
161 H LEU 27 H LEU 27 -0.711 6.442 -3.197
162 HA LEU 27 HA LEU 27 0.542 7.923 -5.372
163 HG LEU 27 HG LEU 27 1.830 10.036 -4.111
164 HB2 LEU 27 1HB LEU 27 -0.948 9.005 -3.654
165 HB3 LEU 27 2HB LEU 27 0.306 8.700 -2.467
166 HD11 LEU 27 1HD1 LEU 27 0.884 11.340 -5.702
167 HD12 LEU 27 2HD1 LEU 27 -0.631 11.515 -4.817
168 HD13 LEU 27 3HD1 LEU 27 -0.300 10.033 -5.714
169 HD21 LEU 27 3HD2 LEU 27 -0.306 11.385 -2.465
170 HD22 LEU 27 1HD2 LEU 27 1.208 12.118 -2.993
171 HD23 LEU 27 2HD2 LEU 27 1.231 10.764 -1.863
172 H GLY 28 H GLY 28 1.852 5.522 -4.776
173 HA2 GLY 28 1HA GLY 28 4.487 6.527 -4.234
174 HA3 GLY 28 2HA GLY 28 3.879 5.507 -2.937
Start of MODEL 2
1 HA ALA 1 HA ALA 1 7.256 -12.460 0.024
2 H1 ALA 1 1H ALA 1 8.285 -14.373 -0.502
3 H2 ALA 1 2H ALA 1 8.655 -13.878 -2.103
4 H3 ALA 1 3H ALA 1 7.047 -14.309 -1.685
5 HB1 ALA 1 3HB ALA 1 8.930 -10.963 -0.163
6 HB2 ALA 1 1HB ALA 1 9.018 -11.119 -1.917
7 HB3 ALA 1 2HB ALA 1 9.786 -12.325 -0.885
8 H GLN 2 H GLN 2 5.134 -12.455 -0.744
9 HA GLN 2 HA GLN 2 4.675 -11.247 -3.377
10 HB2 GLN 2 1HB GLN 2 2.616 -12.482 -1.548
11 HB3 GLN 2 2HB GLN 2 2.441 -12.102 -3.255
12 HG2 GLN 2 1HG GLN 2 2.950 -14.224 -3.641
13 HG3 GLN 2 2HG GLN 2 4.606 -13.800 -3.207
14 HE21 GLN 2 1HE2 GLN 2 1.546 -14.578 -1.580
15 HE22 GLN 2 2HE2 GLN 2 2.242 -15.642 -0.409
16 H ASN 3 H ASN 3 3.178 -9.508 -3.619
17 HA ASN 3 HA ASN 3 3.163 -7.708 -1.321
18 HB2 ASN 3 1HB ASN 3 4.148 -6.785 -3.293
19 HB3 ASN 3 2HB ASN 3 2.785 -7.291 -4.278
20 HD21 ASN 3 1HD2 ASN 3 2.297 -5.374 -5.027
21 HD22 ASN 3 2HD2 ASN 3 1.669 -4.068 -4.080
22 HA PRO 4 HA PRO 4 -1.258 -9.206 -1.509
23 HB2 PRO 4 1HB PRO 4 -1.769 -8.901 1.156
24 HB3 PRO 4 2HB PRO 4 -1.095 -10.376 0.450
25 HG2 PRO 4 1HG PRO 4 0.316 -8.115 1.820
26 HG3 PRO 4 2HG PRO 4 0.565 -9.863 1.998
27 HD2 PRO 4 1HD PRO 4 2.191 -8.351 0.517
28 HD3 PRO 4 2HD PRO 4 1.789 -10.013 0.042
29 H CYS 5 H CYS 5 0.260 -6.349 -0.380
30 HA CYS 5 HA CYS 5 -1.981 -4.862 0.337
31 HB2 CYS 5 1HB CYS 5 0.596 -3.809 -0.854
32 HB3 CYS 5 2HB CYS 5 -0.548 -2.942 0.159
33 H SER 6 H SER 6 -0.561 -5.609 -2.756
34 HA SER 6 HA SER 6 -1.906 -3.722 -4.347
35 HG SER 6 HG SER 6 -0.684 -5.084 -7.132
36 HB2 SER 6 1HB SER 6 -0.015 -5.202 -5.095
37 HB3 SER 6 2HB SER 6 -1.172 -6.530 -5.167
38 H LEU 7 H LEU 7 -2.789 -6.839 -3.081
39 HA LEU 7 HA LEU 7 -5.202 -7.224 -4.522
40 HG LEU 7 HG LEU 7 -6.305 -9.115 -4.114
41 HB2 LEU 7 1HB LEU 7 -3.692 -8.784 -2.931
42 HB3 LEU 7 2HB LEU 7 -4.928 -8.332 -1.793
43 HD11 LEU 7 1HD1 LEU 7 -3.905 -10.811 -3.556
44 HD12 LEU 7 2HD1 LEU 7 -4.567 -10.283 -5.103
45 HD13 LEU 7 3HD1 LEU 7 -5.391 -11.533 -4.171
46 HD21 LEU 7 3HD2 LEU 7 -6.740 -11.177 -2.556
47 HD22 LEU 7 1HD2 LEU 7 -7.350 -9.580 -2.124
48 HD23 LEU 7 2HD2 LEU 7 -5.880 -10.197 -1.369
49 H GLN 8 H GLN 8 -4.318 -5.666 -1.567
50 HA GLN 8 HA GLN 8 -7.053 -5.157 -0.763
51 HB2 GLN 8 1HB GLN 8 -6.185 -4.375 1.233
52 HB3 GLN 8 2HB GLN 8 -4.965 -5.533 0.743
53 HG2 GLN 8 1HG GLN 8 -3.400 -3.935 0.350
54 HG3 GLN 8 2HG GLN 8 -4.583 -2.706 -0.062
55 HE21 GLN 8 1HE2 GLN 8 -4.474 -4.749 2.804
56 HE22 GLN 8 2HE2 GLN 8 -4.278 -3.460 3.936
57 H GLN 9 H GLN 9 -4.449 -3.503 -2.348
58 HA GLN 9 HA GLN 9 -6.257 -1.342 -3.072
59 HB2 GLN 9 1HB GLN 9 -3.597 -0.975 -1.707
60 HB3 GLN 9 2HB GLN 9 -4.350 0.302 -2.652
61 HG2 GLN 9 1HG GLN 9 -6.389 -0.070 -1.128
62 HG3 GLN 9 2HG GLN 9 -5.258 -0.909 -0.071
63 HE21 GLN 9 1HE2 GLN 9 -3.459 0.316 0.809
64 HE22 GLN 9 2HE2 GLN 9 -3.585 2.031 0.960
65 HA PRO 10 HA PRO 10 -4.217 -2.304 -6.923
66 HB2 PRO 10 1HB PRO 10 -5.275 -0.335 -8.455
67 HB3 PRO 10 2HB PRO 10 -6.185 -1.770 -7.970
68 HG2 PRO 10 1HG PRO 10 -6.234 0.987 -6.816
69 HG3 PRO 10 2HG PRO 10 -7.581 -0.124 -7.126
70 HD2 PRO 10 1HD PRO 10 -6.486 0.243 -4.665
71 HD3 PRO 10 2HD PRO 10 -7.237 -1.284 -5.173
72 H GLY 11 H GLY 11 -2.475 -1.659 -8.092
73 HA2 GLY 11 1HA GLY 11 -0.691 -0.350 -8.799
74 HA3 GLY 11 2HA GLY 11 -1.512 1.037 -8.125
75 H CYS 12 H CYS 12 -1.504 -0.609 -5.441
76 HA CYS 12 HA CYS 12 0.556 0.727 -4.214
77 HB2 CYS 12 1HB CYS 12 -1.245 -0.437 -3.044
78 HB3 CYS 12 2HB CYS 12 -0.511 -1.964 -3.473
79 H SER 13 H SER 13 2.546 0.658 -4.458
80 HA SER 13 HA SER 13 4.111 -1.241 -5.770
81 HG SER 13 HG SER 13 6.905 0.471 -4.135
82 HB2 SER 13 1HB SER 13 4.925 0.994 -5.596
83 HB3 SER 13 2HB SER 13 4.851 0.954 -3.841
84 H SER 14 H SER 14 5.125 -3.055 -5.101
85 HA SER 14 HA SER 14 4.435 -4.314 -2.666
86 HG SER 14 HG SER 14 7.277 -6.397 -3.149
87 HB2 SER 14 1HB SER 14 5.258 -5.593 -4.604
88 HB3 SER 14 2HB SER 14 6.830 -4.806 -4.435
89 H ALA 15 H ALA 15 7.036 -2.251 -3.637
90 HA ALA 15 HA ALA 15 8.768 -2.584 -1.460
91 HB1 ALA 15 3HB ALA 15 9.912 -1.504 -3.077
92 HB2 ALA 15 1HB ALA 15 9.315 -0.063 -2.254
93 HB3 ALA 15 2HB ALA 15 8.479 -0.672 -3.682
94 H CYS 16 H CYS 16 5.711 -1.184 -1.647
95 HA CYS 16 HA CYS 16 6.151 0.784 0.439
96 HB2 CYS 16 1HB CYS 16 3.647 -0.267 -0.893
97 HB3 CYS 16 2HB CYS 16 3.592 0.844 0.465
98 H ALA 17 H ALA 17 5.474 -2.564 0.167
99 HA ALA 17 HA ALA 17 4.213 -2.911 2.712
100 HB1 ALA 17 3HB ALA 17 4.878 -4.556 0.487
101 HB2 ALA 17 1HB ALA 17 3.800 -4.916 1.835
102 HB3 ALA 17 2HB ALA 17 5.516 -5.311 1.947
103 HA PRO 18 HA PRO 18 4.294 -4.913 4.106
104 HB2 PRO 18 1HB PRO 18 4.336 -5.011 6.776
105 HB3 PRO 18 2HB PRO 18 5.343 -6.074 5.787
106 HG2 PRO 18 1HG PRO 18 6.084 -3.551 7.221
107 HG3 PRO 18 2HG PRO 18 6.967 -5.086 7.131
108 HD2 PRO 18 1HD PRO 18 7.578 -2.924 5.588
109 HD3 PRO 18 2HD PRO 18 7.860 -4.599 5.081
110 H ALA 19 H ALA 19 5.091 -1.709 4.917
111 HA ALA 19 HA ALA 19 2.910 -1.004 6.555
112 HB1 ALA 19 3HB ALA 19 5.071 0.382 5.169
113 HB2 ALA 19 1HB ALA 19 4.333 0.708 6.737
114 HB3 ALA 19 2HB ALA 19 3.579 1.317 5.265
115 H CYS 20 H CYS 20 3.511 -0.355 3.152
116 HA CYS 20 HA CYS 20 2.227 0.091 1.426
117 HB2 CYS 20 1HB CYS 20 0.226 -1.722 2.743
118 HB3 CYS 20 2HB CYS 20 0.416 -1.378 1.038
119 H ARG 21 H ARG 21 2.100 2.130 3.164
120 HA ARG 21 HA ARG 21 -0.502 2.829 4.047
121 HE ARG 21 HE ARG 21 4.022 3.548 7.316
122 HB2 ARG 21 1HB ARG 21 1.877 4.593 3.447
123 HB3 ARG 21 2HB ARG 21 0.413 5.129 4.252
124 HG2 ARG 21 1HG ARG 21 1.160 4.425 6.211
125 HG3 ARG 21 2HG ARG 21 1.461 2.808 5.574
126 HD2 ARG 21 1HD ARG 21 3.659 3.272 5.067
127 HD3 ARG 21 2HD ARG 21 3.370 5.003 4.919
128 HH11 ARG 21 1HH1 ARG 21 2.591 6.456 6.020
129 HH12 ARG 21 2HH1 ARG 21 2.854 7.377 7.462
130 HH21 ARG 21 1HH2 ARG 21 4.368 4.758 9.213
131 HH22 ARG 21 2HH2 ARG 21 3.863 6.415 9.274
132 H LEU 22 H LEU 22 -1.946 4.321 3.230
133 HA LEU 22 HA LEU 22 -2.771 4.080 0.664
134 HG LEU 22 HG LEU 22 -4.428 4.045 2.809
135 HB2 LEU 22 1HB LEU 22 -3.153 6.255 2.674
136 HB3 LEU 22 2HB LEU 22 -3.827 6.423 1.065
137 HD11 LEU 22 1HD1 LEU 22 -5.379 5.585 4.172
138 HD12 LEU 22 2HD1 LEU 22 -6.678 5.459 2.985
139 HD13 LEU 22 3HD1 LEU 22 -5.526 6.792 2.894
140 HD21 LEU 22 3HD2 LEU 22 -4.821 4.205 0.226
141 HD22 LEU 22 1HD2 LEU 22 -6.209 5.182 0.705
142 HD23 LEU 22 2HD2 LEU 22 -6.059 3.521 1.278
143 H SER 23 H SER 23 -0.970 6.816 1.945
144 HA SER 23 HA SER 23 -0.602 8.201 -0.437
145 HG SER 23 HG SER 23 0.223 9.509 2.933
146 HB2 SER 23 1HB SER 23 1.571 8.205 1.617
147 HB3 SER 23 2HB SER 23 0.870 9.555 0.724
148 H CYS 24 H CYS 24 1.041 5.370 0.729
149 HA CYS 24 HA CYS 24 3.137 5.652 -1.260
150 HB2 CYS 24 1HB CYS 24 3.647 4.872 1.113
151 HB3 CYS 24 2HB CYS 24 2.782 3.391 0.722
152 H CYS 25 H CYS 25 0.449 3.417 -0.524
153 HA CYS 25 HA CYS 25 1.038 1.608 -2.549
154 HB2 CYS 25 1HB CYS 25 -1.491 2.337 -1.139
155 HB3 CYS 25 2HB CYS 25 -1.512 1.179 -2.455
156 H SER 26 H SER 26 -1.493 4.080 -2.721
157 HA SER 26 HA SER 26 -1.595 3.849 -5.561
158 HG SER 26 HG SER 26 -3.292 5.900 -6.314
159 HB2 SER 26 1HB SER 26 -3.668 4.316 -4.751
160 HB3 SER 26 2HB SER 26 -3.063 5.430 -3.524
161 H LEU 27 H LEU 27 -0.124 6.051 -3.332
162 HA LEU 27 HA LEU 27 0.986 7.558 -5.609
163 HG LEU 27 HG LEU 27 1.634 9.762 -5.315
164 HB2 LEU 27 1HB LEU 27 -0.597 8.650 -3.818
165 HB3 LEU 27 2HB LEU 27 0.864 8.701 -2.854
166 HD11 LEU 27 1HD1 LEU 27 -0.405 10.222 -6.239
167 HD12 LEU 27 2HD1 LEU 27 -0.144 11.698 -5.309
168 HD13 LEU 27 3HD1 LEU 27 -1.193 10.429 -4.675
169 HD21 LEU 27 3HD2 LEU 27 0.742 11.477 -3.030
170 HD22 LEU 27 1HD2 LEU 27 2.144 11.658 -4.085
171 HD23 LEU 27 2HD2 LEU 27 2.124 10.396 -2.853
172 H GLY 28 H GLY 28 2.297 5.259 -4.901
173 HA2 GLY 28 1HA GLY 28 4.877 6.296 -4.193
174 HA3 GLY 28 2HA GLY 28 4.195 5.285 -2.927
Start of MODEL 3
1 HA ALA 1 HA ALA 1 8.646 -10.035 -2.188
2 H1 ALA 1 1H ALA 1 9.049 -12.760 -3.148
3 H2 ALA 1 2H ALA 1 8.180 -12.461 -1.699
4 H3 ALA 1 3H ALA 1 9.803 -11.926 -1.855
5 HB1 ALA 1 3HB ALA 1 9.493 -11.403 -4.665
6 HB2 ALA 1 1HB ALA 1 10.023 -9.870 -3.974
7 HB3 ALA 1 2HB ALA 1 8.503 -9.957 -4.865
8 H GLN 2 H GLN 2 6.567 -10.467 -1.219
9 HA GLN 2 HA GLN 2 4.433 -11.107 -3.132
10 HB2 GLN 2 1HB GLN 2 4.383 -11.010 -0.113
11 HB3 GLN 2 2HB GLN 2 3.006 -11.405 -1.130
12 HG2 GLN 2 1HG GLN 2 4.748 -13.204 -2.057
13 HG3 GLN 2 2HG GLN 2 5.368 -13.024 -0.416
14 HE21 GLN 2 1HE2 GLN 2 2.663 -14.010 -2.372
15 HE22 GLN 2 2HE2 GLN 2 1.827 -14.880 -1.135
16 H ASN 3 H ASN 3 2.691 -9.746 -3.444
17 HA ASN 3 HA ASN 3 2.921 -7.053 -2.311
18 HB2 ASN 3 1HB ASN 3 3.667 -7.238 -4.708
19 HB3 ASN 3 2HB ASN 3 2.020 -7.698 -5.123
20 HD21 ASN 3 1HD2 ASN 3 2.855 -5.382 -2.672
21 HD22 ASN 3 2HD2 ASN 3 2.238 -3.989 -3.486
22 HA PRO 4 HA PRO 4 -1.365 -9.042 -1.769
23 HB2 PRO 4 1HB PRO 4 -1.479 -8.712 0.944
24 HB3 PRO 4 2HB PRO 4 -0.910 -10.188 0.157
25 HG2 PRO 4 1HG PRO 4 0.675 -7.912 1.288
26 HG3 PRO 4 2HG PRO 4 0.967 -9.657 1.423
27 HD2 PRO 4 1HD PRO 4 2.346 -8.136 -0.302
28 HD3 PRO 4 2HD PRO 4 1.868 -9.799 -0.705
29 H CYS 5 H CYS 5 0.203 -6.247 -0.440
30 HA CYS 5 HA CYS 5 -2.021 -4.776 0.324
31 HB2 CYS 5 1HB CYS 5 0.598 -3.699 -0.746
32 HB3 CYS 5 2HB CYS 5 -0.552 -2.868 0.289
33 H SER 6 H SER 6 -0.601 -5.349 -2.792
34 HA SER 6 HA SER 6 -1.845 -3.282 -4.253
35 HG SER 6 HG SER 6 -2.021 -5.927 -6.700
36 HB2 SER 6 1HB SER 6 -0.164 -4.381 -5.441
37 HB3 SER 6 2HB SER 6 -0.769 -5.982 -5.017
38 H LEU 7 H LEU 7 -2.858 -6.465 -3.286
39 HA LEU 7 HA LEU 7 -5.302 -6.593 -4.729
40 HG LEU 7 HG LEU 7 -6.630 -8.437 -4.299
41 HB2 LEU 7 1HB LEU 7 -3.863 -8.375 -3.315
42 HB3 LEU 7 2HB LEU 7 -5.050 -7.961 -2.113
43 HD11 LEU 7 1HD1 LEU 7 -4.289 -9.325 -5.229
44 HD12 LEU 7 2HD1 LEU 7 -5.831 -10.067 -5.649
45 HD13 LEU 7 3HD1 LEU 7 -4.827 -10.778 -4.386
46 HD21 LEU 7 3HD2 LEU 7 -7.007 -10.684 -3.199
47 HD22 LEU 7 1HD2 LEU 7 -7.190 -9.270 -2.160
48 HD23 LEU 7 2HD2 LEU 7 -5.723 -10.244 -2.072
49 H GLN 8 H GLN 8 -4.274 -5.339 -1.698
50 HA GLN 8 HA GLN 8 -6.940 -4.759 -0.730
51 HB2 GLN 8 1HB GLN 8 -4.395 -3.659 0.444
52 HB3 GLN 8 2HB GLN 8 -5.913 -4.011 1.256
53 HG2 GLN 8 1HG GLN 8 -5.217 -6.479 0.374
54 HG3 GLN 8 2HG GLN 8 -3.631 -5.760 0.667
55 HE21 GLN 8 1HE2 GLN 8 -4.041 -4.198 2.817
56 HE22 GLN 8 2HE2 GLN 8 -4.517 -5.146 4.180
57 H GLN 9 H GLN 9 -4.317 -3.118 -2.330
58 HA GLN 9 HA GLN 9 -6.027 -0.816 -2.832
59 HB2 GLN 9 1HB GLN 9 -3.265 -0.638 -1.622
60 HB3 GLN 9 2HB GLN 9 -4.105 0.726 -2.344
61 HG2 GLN 9 1HG GLN 9 -5.470 0.999 -0.585
62 HG3 GLN 9 2HG GLN 9 -5.616 -0.730 -0.285
63 HE21 GLN 9 1HE2 GLN 9 -3.842 -1.787 0.857
64 HE22 GLN 9 2HE2 GLN 9 -2.881 -0.871 1.959
65 HA PRO 10 HA PRO 10 -4.359 -2.256 -6.835
66 HB2 PRO 10 1HB PRO 10 -5.715 0.327 -7.512
67 HB3 PRO 10 2HB PRO 10 -5.728 -1.210 -8.385
68 HG2 PRO 10 1HG PRO 10 -7.802 -0.513 -6.887
69 HG3 PRO 10 2HG PRO 10 -7.227 -2.191 -6.904
70 HD2 PRO 10 1HD PRO 10 -6.930 -0.105 -4.807
71 HD3 PRO 10 2HD PRO 10 -7.065 -1.868 -4.638
72 H GLY 11 H GLY 11 -2.570 -1.756 -7.947
73 HA2 GLY 11 1HA GLY 11 -0.732 -0.564 -8.720
74 HA3 GLY 11 2HA GLY 11 -1.489 0.888 -8.109
75 H CYS 12 H CYS 12 -1.494 -0.754 -5.366
76 HA CYS 12 HA CYS 12 0.568 0.608 -4.169
77 HB2 CYS 12 1HB CYS 12 -1.204 -0.568 -2.971
78 HB3 CYS 12 2HB CYS 12 -0.461 -2.089 -3.404
79 H SER 13 H SER 13 2.556 0.560 -4.435
80 HA SER 13 HA SER 13 4.135 -1.329 -5.749
81 HG SER 13 HG SER 13 6.517 -0.819 -5.382
82 HB2 SER 13 1HB SER 13 4.920 0.921 -5.594
83 HB3 SER 13 2HB SER 13 4.866 0.885 -3.837
84 H SER 14 H SER 14 5.216 -3.120 -5.060
85 HA SER 14 HA SER 14 4.530 -4.367 -2.623
86 HG SER 14 HG SER 14 5.576 -5.237 -5.751
87 HB2 SER 14 1HB SER 14 7.030 -4.864 -4.235
88 HB3 SER 14 2HB SER 14 6.217 -5.994 -3.154
89 H ALA 15 H ALA 15 7.100 -2.254 -3.579
90 HA ALA 15 HA ALA 15 8.816 -2.548 -1.386
91 HB1 ALA 15 3HB ALA 15 9.915 -1.486 -3.066
92 HB2 ALA 15 1HB ALA 15 9.402 -0.066 -2.157
93 HB3 ALA 15 2HB ALA 15 8.490 -0.583 -3.575
94 H CYS 16 H CYS 16 5.744 -1.188 -1.589
95 HA CYS 16 HA CYS 16 6.143 0.792 0.486
96 HB2 CYS 16 1HB CYS 16 3.664 -0.307 -0.855
97 HB3 CYS 16 2HB CYS 16 3.586 0.822 0.489
98 H ALA 17 H ALA 17 5.501 -2.566 0.215
99 HA ALA 17 HA ALA 17 4.235 -2.913 2.758
100 HB1 ALA 17 3HB ALA 17 5.538 -5.312 2.035
101 HB2 ALA 17 1HB ALA 17 4.955 -4.569 0.546
102 HB3 ALA 17 2HB ALA 17 3.831 -4.910 1.860
103 HA PRO 18 HA PRO 18 4.316 -4.880 4.178
104 HB2 PRO 18 1HB PRO 18 4.375 -4.986 6.843
105 HB3 PRO 18 2HB PRO 18 5.387 -6.039 5.850
106 HG2 PRO 18 1HG PRO 18 6.113 -3.511 7.283
107 HG3 PRO 18 2HG PRO 18 7.006 -5.040 7.196
108 HD2 PRO 18 1HD PRO 18 7.600 -2.878 5.646
109 HD3 PRO 18 2HD PRO 18 7.895 -4.552 5.145
110 H ALA 19 H ALA 19 5.122 -1.676 4.971
111 HA ALA 19 HA ALA 19 2.967 -0.958 6.639
112 HB1 ALA 19 3HB ALA 19 4.433 0.732 6.775
113 HB2 ALA 19 1HB ALA 19 3.590 1.362 5.360
114 HB3 ALA 19 2HB ALA 19 5.078 0.436 5.162
115 H CYS 20 H CYS 20 3.519 -0.380 3.217
116 HA CYS 20 HA CYS 20 2.209 0.023 1.493
117 HB2 CYS 20 1HB CYS 20 0.210 -1.715 2.910
118 HB3 CYS 20 2HB CYS 20 0.384 -1.443 1.191
119 H ARG 21 H ARG 21 2.110 2.115 3.208
120 HA ARG 21 HA ARG 21 -0.491 2.833 4.081
121 HE ARG 21 HE ARG 21 2.412 4.925 8.269
122 HB2 ARG 21 1HB ARG 21 1.917 4.556 3.478
123 HB3 ARG 21 2HB ARG 21 0.432 5.158 4.194
124 HG2 ARG 21 1HG ARG 21 1.108 3.001 5.789
125 HG3 ARG 21 2HG ARG 21 2.653 3.772 5.426
126 HD2 ARG 21 1HD ARG 21 1.005 5.907 5.977
127 HD3 ARG 21 2HD ARG 21 0.455 4.677 7.115
128 HH11 ARG 21 1HH1 ARG 21 2.796 6.335 5.100
129 HH12 ARG 21 2HH1 ARG 21 4.347 7.019 5.455
130 HH21 ARG 21 1HH2 ARG 21 4.452 5.824 8.737
131 HH22 ARG 21 2HH2 ARG 21 5.287 6.729 7.519
132 H LEU 22 H LEU 22 -1.957 4.273 3.237
133 HA LEU 22 HA LEU 22 -2.765 3.984 0.665
134 HG LEU 22 HG LEU 22 -3.805 6.539 -0.148
135 HB2 LEU 22 1HB LEU 22 -4.205 4.965 2.351
136 HB3 LEU 22 2HB LEU 22 -3.184 6.391 2.428
137 HD11 LEU 22 1HD1 LEU 22 -5.763 4.656 1.014
138 HD12 LEU 22 2HD1 LEU 22 -5.181 4.813 -0.643
139 HD13 LEU 22 3HD1 LEU 22 -6.403 5.926 -0.028
140 HD21 LEU 22 3HD2 LEU 22 -5.996 7.386 1.664
141 HD22 LEU 22 1HD2 LEU 22 -5.130 8.297 0.427
142 HD23 LEU 22 2HD2 LEU 22 -4.375 8.001 1.993
143 H SER 23 H SER 23 -1.000 6.758 1.917
144 HA SER 23 HA SER 23 -0.652 8.121 -0.482
145 HG SER 23 HG SER 23 -0.736 9.989 0.994
146 HB2 SER 23 1HB SER 23 1.064 8.039 2.001
147 HB3 SER 23 2HB SER 23 1.363 9.145 0.661
148 H CYS 24 H CYS 24 1.025 5.321 0.730
149 HA CYS 24 HA CYS 24 3.105 5.595 -1.282
150 HB2 CYS 24 1HB CYS 24 3.634 4.850 1.098
151 HB3 CYS 24 2HB CYS 24 2.782 3.356 0.729
152 H CYS 25 H CYS 25 0.459 3.321 -0.495
153 HA CYS 25 HA CYS 25 1.054 1.513 -2.519
154 HB2 CYS 25 1HB CYS 25 -1.468 2.199 -1.078
155 HB3 CYS 25 2HB CYS 25 -1.483 1.032 -2.385
156 H SER 26 H SER 26 -1.519 3.946 -2.665
157 HA SER 26 HA SER 26 -1.677 3.684 -5.497
158 HG SER 26 HG SER 26 -4.112 6.536 -4.851
159 HB2 SER 26 1HB SER 26 -3.745 4.198 -4.845
160 HB3 SER 26 2HB SER 26 -3.195 5.075 -3.419
161 H LEU 27 H LEU 27 -1.062 6.552 -3.562
162 HA LEU 27 HA LEU 27 -0.036 8.053 -5.710
163 HG LEU 27 HG LEU 27 0.408 10.924 -3.404
164 HB2 LEU 27 1HB LEU 27 -1.004 9.158 -3.817
165 HB3 LEU 27 2HB LEU 27 0.157 8.440 -2.724
166 HD11 LEU 27 1HD1 LEU 27 2.692 10.853 -2.944
167 HD12 LEU 27 2HD1 LEU 27 2.892 9.272 -3.697
168 HD13 LEU 27 3HD1 LEU 27 2.039 9.415 -2.162
169 HD21 LEU 27 3HD2 LEU 27 0.994 11.480 -5.477
170 HD22 LEU 27 1HD2 LEU 27 0.504 9.854 -5.947
171 HD23 LEU 27 2HD2 LEU 27 2.193 10.193 -5.573
172 H GLY 28 H GLY 28 1.450 5.676 -3.713
173 HA2 GLY 28 1HA GLY 28 4.122 6.630 -4.513
174 HA3 GLY 28 2HA GLY 28 3.801 5.526 -3.184
Start of MODEL 4
1 HA ALA 1 HA ALA 1 7.894 -12.334 -0.371
2 H1 ALA 1 1H ALA 1 6.009 -13.873 0.199
3 H2 ALA 1 2H ALA 1 7.585 -14.257 0.763
4 H3 ALA 1 3H ALA 1 6.930 -15.084 -0.591
5 HB1 ALA 1 3HB ALA 1 9.323 -12.924 -2.135
6 HB2 ALA 1 1HB ALA 1 8.374 -14.354 -2.541
7 HB3 ALA 1 2HB ALA 1 9.332 -14.322 -1.062
8 H GLN 2 H GLN 2 5.394 -11.927 -0.435
9 HA GLN 2 HA GLN 2 4.769 -11.281 -3.214
10 HB2 GLN 2 1HB GLN 2 2.981 -12.853 -1.365
11 HB3 GLN 2 2HB GLN 2 2.364 -11.994 -2.769
12 HG2 GLN 2 1HG GLN 2 3.244 -13.471 -4.239
13 HG3 GLN 2 2HG GLN 2 4.635 -13.832 -3.216
14 HE21 GLN 2 1HE2 GLN 2 4.423 -16.038 -3.426
15 HE22 GLN 2 2HE2 GLN 2 3.137 -16.929 -2.693
16 H ASN 3 H ASN 3 3.306 -9.540 -3.470
17 HA ASN 3 HA ASN 3 3.204 -7.779 -1.139
18 HB2 ASN 3 1HB ASN 3 4.267 -6.716 -2.941
19 HB3 ASN 3 2HB ASN 3 3.098 -7.322 -4.103
20 HD21 ASN 3 1HD2 ASN 3 2.631 -5.403 -4.919
21 HD22 ASN 3 2HD2 ASN 3 1.749 -4.172 -4.079
22 HA PRO 4 HA PRO 4 -1.209 -9.220 -1.538
23 HB2 PRO 4 1HB PRO 4 -1.845 -8.944 1.094
24 HB3 PRO 4 2HB PRO 4 -1.111 -10.404 0.419
25 HG2 PRO 4 1HG PRO 4 0.197 -8.116 1.852
26 HG3 PRO 4 2HG PRO 4 0.453 -9.860 2.062
27 HD2 PRO 4 1HD PRO 4 2.138 -8.348 0.655
28 HD3 PRO 4 2HD PRO 4 1.776 -10.017 0.172
29 H CYS 5 H CYS 5 0.262 -6.369 -0.361
30 HA CYS 5 HA CYS 5 -1.995 -4.868 0.303
31 HB2 CYS 5 1HB CYS 5 0.614 -3.832 -0.821
32 HB3 CYS 5 2HB CYS 5 -0.540 -2.969 0.182
33 H SER 6 H SER 6 -0.534 -5.644 -2.753
34 HA SER 6 HA SER 6 -1.764 -3.692 -4.364
35 HG SER 6 HG SER 6 -0.859 -7.375 -5.657
36 HB2 SER 6 1HB SER 6 -1.483 -5.445 -6.201
37 HB3 SER 6 2HB SER 6 -0.016 -4.941 -5.366
38 H LEU 7 H LEU 7 -2.768 -6.824 -3.228
39 HA LEU 7 HA LEU 7 -5.213 -7.034 -4.660
40 HG LEU 7 HG LEU 7 -6.055 -9.050 -4.614
41 HB2 LEU 7 1HB LEU 7 -3.747 -8.740 -3.180
42 HB3 LEU 7 2HB LEU 7 -4.945 -8.301 -1.998
43 HD11 LEU 7 1HD1 LEU 7 -5.764 -11.525 -3.913
44 HD12 LEU 7 2HD1 LEU 7 -4.358 -10.932 -3.028
45 HD13 LEU 7 3HD1 LEU 7 -4.457 -10.712 -4.775
46 HD21 LEU 7 3HD2 LEU 7 -7.318 -10.574 -2.846
47 HD22 LEU 7 1HD2 LEU 7 -7.702 -8.865 -3.055
48 HD23 LEU 7 2HD2 LEU 7 -6.660 -9.378 -1.729
49 H GLN 8 H GLN 8 -4.203 -5.646 -1.678
50 HA GLN 8 HA GLN 8 -6.877 -5.098 -0.718
51 HB2 GLN 8 1HB GLN 8 -4.354 -3.896 0.397
52 HB3 GLN 8 2HB GLN 8 -5.862 -4.239 1.230
53 HG2 GLN 8 1HG GLN 8 -5.118 -6.729 0.434
54 HG3 GLN 8 2HG GLN 8 -3.550 -5.965 0.716
55 HE21 GLN 8 1HE2 GLN 8 -3.088 -5.148 2.799
56 HE22 GLN 8 2HE2 GLN 8 -3.915 -5.744 4.193
57 H GLN 9 H GLN 9 -4.328 -3.406 -2.400
58 HA GLN 9 HA GLN 9 -6.139 -1.207 -2.920
59 HB2 GLN 9 1HB GLN 9 -3.419 -0.910 -1.659
60 HB3 GLN 9 2HB GLN 9 -4.205 0.411 -2.512
61 HG2 GLN 9 1HG GLN 9 -6.173 0.015 -0.930
62 HG3 GLN 9 2HG GLN 9 -5.044 -0.936 0.030
63 HE21 GLN 9 1HE2 GLN 9 -3.199 0.157 0.958
64 HE22 GLN 9 2HE2 GLN 9 -3.244 1.862 1.220
65 HA PRO 10 HA PRO 10 -4.326 -1.972 -6.916
66 HB2 PRO 10 1HB PRO 10 -5.344 0.146 -8.261
67 HB3 PRO 10 2HB PRO 10 -6.315 -1.260 -7.810
68 HG2 PRO 10 1HG PRO 10 -6.118 1.413 -6.480
69 HG3 PRO 10 2HG PRO 10 -7.554 0.422 -6.797
70 HD2 PRO 10 1HD PRO 10 -6.336 0.528 -4.373
71 HD3 PRO 10 2HD PRO 10 -7.191 -0.914 -4.959
72 H GLY 11 H GLY 11 -2.552 -1.415 -8.037
73 HA2 GLY 11 1HA GLY 11 -0.701 -0.201 -8.746
74 HA3 GLY 11 2HA GLY 11 -1.463 1.226 -8.086
75 H CYS 12 H CYS 12 -1.490 -0.506 -5.410
76 HA CYS 12 HA CYS 12 0.563 0.803 -4.144
77 HB2 CYS 12 1HB CYS 12 -1.229 -0.405 -3.008
78 HB3 CYS 12 2HB CYS 12 -0.490 -1.914 -3.490
79 H SER 13 H SER 13 2.554 0.753 -4.392
80 HA SER 13 HA SER 13 4.129 -1.105 -5.754
81 HG SER 13 HG SER 13 6.538 -0.553 -5.412
82 HB2 SER 13 1HB SER 13 4.932 1.133 -5.505
83 HB3 SER 13 2HB SER 13 4.867 1.026 -3.750
84 H SER 14 H SER 14 5.110 -2.958 -5.125
85 HA SER 14 HA SER 14 4.402 -4.248 -2.721
86 HG SER 14 HG SER 14 5.443 -5.093 -5.895
87 HB2 SER 14 1HB SER 14 6.874 -4.783 -4.359
88 HB3 SER 14 2HB SER 14 6.019 -5.919 -3.319
89 H ALA 15 H ALA 15 7.016 -2.181 -3.627
90 HA ALA 15 HA ALA 15 8.751 -2.592 -1.467
91 HB1 ALA 15 3HB ALA 15 9.876 -1.484 -3.090
92 HB2 ALA 15 1HB ALA 15 9.350 -0.075 -2.168
93 HB3 ALA 15 2HB ALA 15 8.455 -0.574 -3.603
94 H CYS 16 H CYS 16 5.703 -1.161 -1.591
95 HA CYS 16 HA CYS 16 6.163 0.743 0.543
96 HB2 CYS 16 1HB CYS 16 3.649 -0.263 -0.806
97 HB3 CYS 16 2HB CYS 16 3.605 0.815 0.579
98 H ALA 17 H ALA 17 5.471 -2.600 0.186
99 HA ALA 17 HA ALA 17 4.211 -2.988 2.728
100 HB1 ALA 17 3HB ALA 17 3.786 -4.983 1.832
101 HB2 ALA 17 1HB ALA 17 5.504 -5.380 1.906
102 HB3 ALA 17 2HB ALA 17 4.842 -4.595 0.474
103 HA PRO 18 HA PRO 18 4.272 -4.995 4.103
104 HB2 PRO 18 1HB PRO 18 4.326 -5.131 6.770
105 HB3 PRO 18 2HB PRO 18 5.322 -6.187 5.763
106 HG2 PRO 18 1HG PRO 18 6.084 -3.684 7.223
107 HG3 PRO 18 2HG PRO 18 6.956 -5.224 7.120
108 HD2 PRO 18 1HD PRO 18 7.583 -3.057 5.594
109 HD3 PRO 18 2HD PRO 18 7.847 -4.730 5.069
110 H ALA 19 H ALA 19 5.103 -1.808 4.937
111 HA ALA 19 HA ALA 19 2.949 -1.099 6.608
112 HB1 ALA 19 3HB ALA 19 5.093 0.289 5.194
113 HB2 ALA 19 1HB ALA 19 4.392 0.599 6.781
114 HB3 ALA 19 2HB ALA 19 3.607 1.230 5.334
115 H CYS 20 H CYS 20 3.510 -0.424 3.204
116 HA CYS 20 HA CYS 20 2.204 0.033 1.495
117 HB2 CYS 20 1HB CYS 20 0.223 -1.790 2.828
118 HB3 CYS 20 2HB CYS 20 0.393 -1.439 1.123
119 H ARG 21 H ARG 21 2.077 2.044 3.300
120 HA ARG 21 HA ARG 21 -0.537 2.710 4.174
121 HE ARG 21 HE ARG 21 1.496 6.842 5.918
122 HB2 ARG 21 1HB ARG 21 1.875 4.464 3.680
123 HB3 ARG 21 2HB ARG 21 0.376 5.038 4.389
124 HG2 ARG 21 1HG ARG 21 0.918 2.910 5.979
125 HG3 ARG 21 2HG ARG 21 2.544 3.467 5.578
126 HD2 ARG 21 1HD ARG 21 0.318 5.098 6.793
127 HD3 ARG 21 2HD ARG 21 1.791 4.555 7.597
128 HH11 ARG 21 1HH1 ARG 21 3.757 4.383 6.928
129 HH12 ARG 21 2HH1 ARG 21 5.152 5.357 6.606
130 HH21 ARG 21 1HH2 ARG 21 3.330 8.124 5.492
131 HH22 ARG 21 2HH2 ARG 21 4.910 7.480 5.791
132 H LEU 22 H LEU 22 -1.994 4.190 3.376
133 HA LEU 22 HA LEU 22 -2.777 4.005 0.788
134 HG LEU 22 HG LEU 22 -4.387 5.764 -0.028
135 HB2 LEU 22 1HB LEU 22 -4.229 4.928 2.496
136 HB3 LEU 22 2HB LEU 22 -3.204 6.345 2.638
137 HD11 LEU 22 1HD1 LEU 22 -6.411 5.525 0.977
138 HD12 LEU 22 2HD1 LEU 22 -6.336 7.286 0.927
139 HD13 LEU 22 3HD1 LEU 22 -5.932 6.428 2.415
140 HD21 LEU 22 3HD2 LEU 22 -3.018 7.645 -0.018
141 HD22 LEU 22 1HD2 LEU 22 -3.583 8.168 1.569
142 HD23 LEU 22 2HD2 LEU 22 -4.638 8.321 0.164
143 H SER 23 H SER 23 -1.011 6.716 2.167
144 HA SER 23 HA SER 23 -0.629 8.175 -0.170
145 HG SER 23 HG SER 23 1.502 10.295 1.410
146 HB2 SER 23 1HB SER 23 -0.016 8.617 2.401
147 HB3 SER 23 2HB SER 23 1.587 8.178 1.811
148 H CYS 24 H CYS 24 1.014 5.315 0.932
149 HA CYS 24 HA CYS 24 3.124 5.656 -1.035
150 HB2 CYS 24 1HB CYS 24 3.615 4.813 1.322
151 HB3 CYS 24 2HB CYS 24 2.763 3.339 0.881
152 H CYS 25 H CYS 25 0.448 3.379 -0.374
153 HA CYS 25 HA CYS 25 1.055 1.637 -2.452
154 HB2 CYS 25 1HB CYS 25 -1.482 2.302 -1.028
155 HB3 CYS 25 2HB CYS 25 -1.490 1.184 -2.377
156 H SER 26 H SER 26 -1.493 4.096 -2.556
157 HA SER 26 HA SER 26 -1.588 3.950 -5.401
158 HG SER 26 HG SER 26 -3.141 7.103 -4.684
159 HB2 SER 26 1HB SER 26 -3.663 4.385 -4.578
160 HB3 SER 26 2HB SER 26 -3.062 5.473 -3.324
161 H LEU 27 H LEU 27 -0.434 6.315 -3.109
162 HA LEU 27 HA LEU 27 0.740 7.868 -5.304
163 HG LEU 27 HG LEU 27 0.746 10.093 -5.151
164 HB2 LEU 27 1HB LEU 27 -0.788 8.797 -3.371
165 HB3 LEU 27 2HB LEU 27 0.716 8.812 -2.474
166 HD11 LEU 27 1HD1 LEU 27 -0.578 11.855 -4.691
167 HD12 LEU 27 2HD1 LEU 27 -0.196 11.831 -2.970
168 HD13 LEU 27 3HD1 LEU 27 -1.385 10.705 -3.625
169 HD21 LEU 27 3HD2 LEU 27 2.022 10.510 -2.473
170 HD22 LEU 27 1HD2 LEU 27 2.053 11.773 -3.703
171 HD23 LEU 27 2HD2 LEU 27 2.783 10.203 -4.034
172 H GLY 28 H GLY 28 2.053 5.486 -4.700
173 HA2 GLY 28 1HA GLY 28 4.675 6.489 -4.119
174 HA3 GLY 28 2HA GLY 28 4.048 5.488 -2.816
Start of MODEL 5
1 HA ALA 1 HA ALA 1 6.228 -13.177 -0.012
2 H1 ALA 1 1H ALA 1 7.906 -14.341 -1.336
3 H2 ALA 1 2H ALA 1 7.393 -13.427 -2.695
4 H3 ALA 1 3H ALA 1 6.296 -14.486 -1.907
5 HB1 ALA 1 3HB ALA 1 8.674 -12.622 -0.096
6 HB2 ALA 1 1HB ALA 1 7.619 -11.289 0.375
7 HB3 ALA 1 2HB ALA 1 8.276 -11.358 -1.260
8 H GLN 2 H GLN 2 4.624 -13.420 -2.171
9 HA GLN 2 HA GLN 2 4.013 -11.419 -3.861
10 HB2 GLN 2 1HB GLN 2 1.553 -11.950 -3.408
11 HB3 GLN 2 2HB GLN 2 2.588 -13.274 -3.900
12 HG2 GLN 2 1HG GLN 2 2.199 -12.788 -0.994
13 HG3 GLN 2 2HG GLN 2 0.879 -13.502 -1.915
14 HE21 GLN 2 1HE2 GLN 2 2.915 -14.464 0.167
15 HE22 GLN 2 2HE2 GLN 2 3.482 -15.957 -0.491
16 H ASN 3 H ASN 3 2.819 -9.519 -3.884
17 HA ASN 3 HA ASN 3 2.943 -7.997 -1.412
18 HB2 ASN 3 1HB ASN 3 3.935 -6.953 -3.312
19 HB3 ASN 3 2HB ASN 3 2.512 -7.256 -4.296
20 HD21 ASN 3 1HD2 ASN 3 2.239 -5.213 -4.850
21 HD22 ASN 3 2HD2 ASN 3 1.716 -3.965 -3.770
22 HA PRO 4 HA PRO 4 -1.567 -9.056 -1.393
23 HB2 PRO 4 1HB PRO 4 -1.991 -8.622 1.255
24 HB3 PRO 4 2HB PRO 4 -1.374 -10.146 0.609
25 HG2 PRO 4 1HG PRO 4 0.137 -7.856 1.819
26 HG3 PRO 4 2HG PRO 4 0.327 -9.596 2.107
27 HD2 PRO 4 1HD PRO 4 1.979 -8.248 0.502
28 HD3 PRO 4 2HD PRO 4 1.498 -9.921 0.144
29 H CYS 5 H CYS 5 0.082 -6.254 -0.247
30 HA CYS 5 HA CYS 5 -2.080 -4.623 0.370
31 HB2 CYS 5 1HB CYS 5 0.578 -3.741 -0.772
32 HB3 CYS 5 2HB CYS 5 -0.526 -2.807 0.221
33 H SER 6 H SER 6 -0.677 -5.533 -2.670
34 HA SER 6 HA SER 6 -1.780 -3.533 -4.318
35 HG SER 6 HG SER 6 -0.151 -3.796 -5.880
36 HB2 SER 6 1HB SER 6 -0.825 -6.332 -4.794
37 HB3 SER 6 2HB SER 6 -1.713 -5.498 -6.066
38 H LEU 7 H LEU 7 -2.986 -6.598 -3.177
39 HA LEU 7 HA LEU 7 -5.441 -6.640 -4.601
40 HG LEU 7 HG LEU 7 -7.079 -8.599 -3.439
41 HB2 LEU 7 1HB LEU 7 -4.081 -8.447 -3.140
42 HB3 LEU 7 2HB LEU 7 -5.253 -7.949 -1.956
43 HD11 LEU 7 1HD1 LEU 7 -6.239 -8.179 -5.596
44 HD12 LEU 7 2HD1 LEU 7 -6.453 -9.926 -5.504
45 HD13 LEU 7 3HD1 LEU 7 -4.842 -9.225 -5.344
46 HD21 LEU 7 3HD2 LEU 7 -5.315 -10.977 -3.549
47 HD22 LEU 7 1HD2 LEU 7 -6.963 -10.812 -2.941
48 HD23 LEU 7 2HD2 LEU 7 -5.602 -10.251 -1.968
49 H GLN 8 H GLN 8 -4.353 -5.346 -1.605
50 HA GLN 8 HA GLN 8 -6.993 -4.657 -0.640
51 HB2 GLN 8 1HB GLN 8 -4.415 -3.600 0.495
52 HB3 GLN 8 2HB GLN 8 -5.939 -3.886 1.321
53 HG2 GLN 8 1HG GLN 8 -5.311 -6.396 0.497
54 HG3 GLN 8 2HG GLN 8 -3.708 -5.709 0.782
55 HE21 GLN 8 1HE2 GLN 8 -5.720 -7.642 2.182
56 HE22 GLN 8 2HE2 GLN 8 -5.596 -7.169 3.840
57 H GLN 9 H GLN 9 -4.346 -3.108 -2.289
58 HA GLN 9 HA GLN 9 -6.013 -0.778 -2.801
59 HB2 GLN 9 1HB GLN 9 -3.259 -0.673 -1.573
60 HB3 GLN 9 2HB GLN 9 -4.006 0.708 -2.364
61 HG2 GLN 9 1HG GLN 9 -4.926 1.234 -0.421
62 HG3 GLN 9 2HG GLN 9 -5.923 -0.209 -0.568
63 HE21 GLN 9 1HE2 GLN 9 -2.897 1.043 0.759
64 HE22 GLN 9 2HE2 GLN 9 -2.741 -0.158 1.990
65 HA PRO 10 HA PRO 10 -4.403 -2.300 -6.802
66 HB2 PRO 10 1HB PRO 10 -5.797 0.253 -7.509
67 HB3 PRO 10 2HB PRO 10 -5.812 -1.304 -8.348
68 HG2 PRO 10 1HG PRO 10 -7.867 -0.590 -6.830
69 HG3 PRO 10 2HG PRO 10 -7.276 -2.263 -6.816
70 HD2 PRO 10 1HD PRO 10 -6.954 -0.121 -4.779
71 HD3 PRO 10 2HD PRO 10 -7.083 -1.879 -4.561
72 H GLY 11 H GLY 11 -2.656 -1.773 -7.989
73 HA2 GLY 11 1HA GLY 11 -0.847 -0.562 -8.797
74 HA3 GLY 11 2HA GLY 11 -1.605 0.881 -8.168
75 H CYS 12 H CYS 12 -1.563 -0.723 -5.426
76 HA CYS 12 HA CYS 12 0.532 0.627 -4.275
77 HB2 CYS 12 1HB CYS 12 -1.232 -0.504 -3.028
78 HB3 CYS 12 2HB CYS 12 -0.532 -2.044 -3.467
79 H SER 13 H SER 13 2.517 0.547 -4.565
80 HA SER 13 HA SER 13 4.041 -1.381 -5.885
81 HG SER 13 HG SER 13 6.941 0.479 -4.719
82 HB2 SER 13 1HB SER 13 4.875 0.849 -5.765
83 HB3 SER 13 2HB SER 13 4.835 0.839 -4.008
84 H SER 14 H SER 14 5.070 -3.190 -5.204
85 HA SER 14 HA SER 14 4.406 -4.406 -2.739
86 HG SER 14 HG SER 14 7.058 -5.942 -2.546
87 HB2 SER 14 1HB SER 14 5.195 -5.721 -4.668
88 HB3 SER 14 2HB SER 14 6.773 -4.942 -4.533
89 H ALA 15 H ALA 15 7.006 -2.379 -3.780
90 HA ALA 15 HA ALA 15 8.763 -2.680 -1.620
91 HB1 ALA 15 3HB ALA 15 9.771 -1.705 -3.449
92 HB2 ALA 15 1HB ALA 15 9.497 -0.303 -2.415
93 HB3 ALA 15 2HB ALA 15 8.407 -0.633 -3.762
94 H CYS 16 H CYS 16 5.716 -1.265 -1.795
95 HA CYS 16 HA CYS 16 6.196 0.749 0.238
96 HB2 CYS 16 1HB CYS 16 3.672 -0.318 -1.039
97 HB3 CYS 16 2HB CYS 16 3.632 0.807 0.307
98 H ALA 17 H ALA 17 5.481 -2.603 0.051
99 HA ALA 17 HA ALA 17 4.275 -2.866 2.635
100 HB1 ALA 17 3HB ALA 17 4.874 -4.586 0.440
101 HB2 ALA 17 1HB ALA 17 3.798 -4.878 1.806
102 HB3 ALA 17 2HB ALA 17 5.504 -5.311 1.918
103 HA PRO 18 HA PRO 18 4.356 -4.804 4.098
104 HB2 PRO 18 1HB PRO 18 4.496 -4.854 6.761
105 HB3 PRO 18 2HB PRO 18 5.457 -5.949 5.762
106 HG2 PRO 18 1HG PRO 18 6.275 -3.402 7.112
107 HG3 PRO 18 2HG PRO 18 7.134 -4.951 7.038
108 HD2 PRO 18 1HD PRO 18 7.727 -2.844 5.416
109 HD3 PRO 18 2HD PRO 18 7.969 -4.535 4.948
110 H ALA 19 H ALA 19 5.254 -1.603 4.779
111 HA ALA 19 HA ALA 19 3.180 -0.794 6.506
112 HB1 ALA 19 3HB ALA 19 3.816 1.468 5.103
113 HB2 ALA 19 1HB ALA 19 5.283 0.500 4.946
114 HB3 ALA 19 2HB ALA 19 4.649 0.891 6.545
115 H CYS 20 H CYS 20 3.613 -0.305 3.052
116 HA CYS 20 HA CYS 20 2.247 0.082 1.371
117 HB2 CYS 20 1HB CYS 20 0.282 -1.602 2.896
118 HB3 CYS 20 2HB CYS 20 0.390 -1.363 1.167
119 H ARG 21 H ARG 21 2.236 2.201 3.072
120 HA ARG 21 HA ARG 21 -0.333 2.969 3.998
121 HE ARG 21 HE ARG 21 3.181 4.317 7.463
122 HB2 ARG 21 1HB ARG 21 2.095 4.640 3.328
123 HB3 ARG 21 2HB ARG 21 0.631 5.288 4.047
124 HG2 ARG 21 1HG ARG 21 1.166 3.256 5.749
125 HG3 ARG 21 2HG ARG 21 2.796 3.723 5.258
126 HD2 ARG 21 1HD ARG 21 2.075 6.117 5.762
127 HD3 ARG 21 2HD ARG 21 0.683 5.406 6.575
128 HH11 ARG 21 1HH1 ARG 21 0.927 6.951 7.868
129 HH12 ARG 21 2HH1 ARG 21 1.431 7.299 9.488
130 HH21 ARG 21 1HH2 ARG 21 3.845 4.773 9.593
131 HH22 ARG 21 2HH2 ARG 21 3.088 6.062 10.467
132 H LEU 22 H LEU 22 -1.803 4.407 3.163
133 HA LEU 22 HA LEU 22 -2.661 4.097 0.609
134 HG LEU 22 HG LEU 22 -4.234 5.866 -0.268
135 HB2 LEU 22 1HB LEU 22 -4.063 5.113 2.302
136 HB3 LEU 22 2HB LEU 22 -3.021 6.525 2.357
137 HD11 LEU 22 1HD1 LEU 22 -5.817 6.993 2.036
138 HD12 LEU 22 2HD1 LEU 22 -6.121 5.478 1.189
139 HD13 LEU 22 3HD1 LEU 22 -6.326 7.014 0.348
140 HD21 LEU 22 3HD2 LEU 22 -3.310 8.242 1.251
141 HD22 LEU 22 1HD2 LEU 22 -4.593 8.473 0.063
142 HD23 LEU 22 2HD2 LEU 22 -3.042 7.799 -0.435
143 H SER 23 H SER 23 -0.832 6.857 1.797
144 HA SER 23 HA SER 23 -0.514 8.193 -0.621
145 HG SER 23 HG SER 23 0.066 9.983 2.244
146 HB2 SER 23 1HB SER 23 1.650 8.175 1.466
147 HB3 SER 23 2HB SER 23 1.104 9.509 0.450
148 H CYS 24 H CYS 24 1.141 5.374 0.583
149 HA CYS 24 HA CYS 24 3.183 5.594 -1.476
150 HB2 CYS 24 1HB CYS 24 3.749 4.863 0.900
151 HB3 CYS 24 2HB CYS 24 2.864 3.380 0.564
152 H CYS 25 H CYS 25 0.527 3.362 -0.606
153 HA CYS 25 HA CYS 25 1.048 1.534 -2.634
154 HB2 CYS 25 1HB CYS 25 -1.424 2.256 -1.125
155 HB3 CYS 25 2HB CYS 25 -1.491 1.084 -2.427
156 H SER 26 H SER 26 -1.509 3.985 -2.726
157 HA SER 26 HA SER 26 -1.739 3.711 -5.554
158 HG SER 26 HG SER 26 -3.219 6.926 -4.544
159 HB2 SER 26 1HB SER 26 -3.789 4.236 -4.859
160 HB3 SER 26 2HB SER 26 -3.203 5.108 -3.444
161 H LEU 27 H LEU 27 -1.074 6.583 -3.647
162 HA LEU 27 HA LEU 27 -0.090 8.081 -5.820
163 HG LEU 27 HG LEU 27 1.971 9.746 -3.958
164 HB2 LEU 27 1HB LEU 27 -1.000 9.199 -3.910
165 HB3 LEU 27 2HB LEU 27 0.178 8.459 -2.844
166 HD11 LEU 27 1HD1 LEU 27 -0.300 10.556 -5.681
167 HD12 LEU 27 2HD1 LEU 27 1.393 10.280 -6.089
168 HD13 LEU 27 3HD1 LEU 27 0.911 11.779 -5.296
169 HD21 LEU 27 3HD2 LEU 27 0.357 10.565 -2.011
170 HD22 LEU 27 1HD2 LEU 27 -0.026 11.803 -3.207
171 HD23 LEU 27 2HD2 LEU 27 1.638 11.585 -2.665
172 H GLY 28 H GLY 28 1.409 5.647 -3.956
173 HA2 GLY 28 1HA GLY 28 4.075 6.617 -4.773
174 HA3 GLY 28 2HA GLY 28 3.780 5.534 -3.420
Start of MODEL 6
1 HA ALA 1 HA ALA 1 2.886 -15.614 -0.870
2 H1 ALA 1 1H ALA 1 4.223 -16.954 -2.111
3 H2 ALA 1 2H ALA 1 4.873 -17.072 -0.527
4 H3 ALA 1 3H ALA 1 5.648 -16.093 -1.705
5 HB1 ALA 1 3HB ALA 1 3.796 -15.364 1.203
6 HB2 ALA 1 1HB ALA 1 4.148 -13.766 0.545
7 HB3 ALA 1 2HB ALA 1 5.404 -15.004 0.577
8 H GLN 2 H GLN 2 2.134 -13.608 -1.556
9 HA GLN 2 HA GLN 2 3.910 -12.114 -3.368
10 HB2 GLN 2 1HB GLN 2 1.011 -12.828 -3.849
11 HB3 GLN 2 2HB GLN 2 1.957 -11.741 -4.856
12 HG2 GLN 2 1HG GLN 2 3.423 -13.522 -5.506
13 HG3 GLN 2 2HG GLN 2 2.650 -14.628 -4.371
14 HE21 GLN 2 1HE2 GLN 2 2.134 -16.079 -6.008
15 HE22 GLN 2 2HE2 GLN 2 0.874 -15.770 -7.148
16 H ASN 3 H ASN 3 3.592 -9.891 -3.480
17 HA ASN 3 HA ASN 3 3.035 -8.483 -1.242
18 HB2 ASN 3 1HB ASN 3 4.178 -7.439 -3.011
19 HB3 ASN 3 2HB ASN 3 2.875 -7.754 -4.147
20 HD21 ASN 3 1HD2 ASN 3 2.835 -5.668 -4.756
21 HD22 ASN 3 2HD2 ASN 3 2.157 -4.404 -3.786
22 HA PRO 4 HA PRO 4 -1.499 -9.214 -1.338
23 HB2 PRO 4 1HB PRO 4 -1.997 -8.620 1.259
24 HB3 PRO 4 2HB PRO 4 -1.394 -10.194 0.730
25 HG2 PRO 4 1HG PRO 4 0.116 -7.877 1.882
26 HG3 PRO 4 2HG PRO 4 0.265 -9.605 2.253
27 HD2 PRO 4 1HD PRO 4 1.981 -8.314 0.636
28 HD3 PRO 4 2HD PRO 4 1.558 -10.021 0.395
29 H CYS 5 H CYS 5 0.300 -6.411 -0.655
30 HA CYS 5 HA CYS 5 -1.672 -4.591 0.018
31 HB2 CYS 5 1HB CYS 5 0.782 -4.009 -1.651
32 HB3 CYS 5 2HB CYS 5 -0.112 -2.907 -0.622
33 H SER 6 H SER 6 -0.737 -5.947 -3.060
34 HA SER 6 HA SER 6 -2.058 -4.145 -4.758
35 HG SER 6 HG SER 6 0.297 -5.372 -5.025
36 HB2 SER 6 1HB SER 6 -1.955 -7.029 -5.462
37 HB3 SER 6 2HB SER 6 -1.599 -5.617 -6.452
38 H LEU 7 H LEU 7 -3.141 -7.063 -3.151
39 HA LEU 7 HA LEU 7 -5.699 -7.235 -4.349
40 HG LEU 7 HG LEU 7 -6.516 -9.334 -4.097
41 HB2 LEU 7 1HB LEU 7 -4.249 -8.906 -2.857
42 HB3 LEU 7 2HB LEU 7 -5.266 -8.258 -1.601
43 HD11 LEU 7 1HD1 LEU 7 -4.782 -10.920 -2.844
44 HD12 LEU 7 2HD1 LEU 7 -6.297 -11.515 -3.524
45 HD13 LEU 7 3HD1 LEU 7 -6.180 -11.167 -1.799
46 HD21 LEU 7 3HD2 LEU 7 -7.457 -9.403 -1.240
47 HD22 LEU 7 1HD2 LEU 7 -8.402 -9.680 -2.703
48 HD23 LEU 7 2HD2 LEU 7 -7.793 -8.065 -2.339
49 H GLN 8 H GLN 8 -4.499 -5.784 -1.433
50 HA GLN 8 HA GLN 8 -7.132 -4.933 -0.575
51 HB2 GLN 8 1HB GLN 8 -5.965 -3.874 1.302
52 HB3 GLN 8 2HB GLN 8 -5.517 -5.561 1.123
53 HG2 GLN 8 1HG GLN 8 -3.370 -5.077 0.714
54 HG3 GLN 8 2HG GLN 8 -3.766 -3.657 -0.255
55 HE21 GLN 8 1HE2 GLN 8 -2.082 -2.530 0.789
56 HE22 GLN 8 2HE2 GLN 8 -2.282 -1.906 2.388
57 H GLN 9 H GLN 9 -4.373 -3.587 -2.166
58 HA GLN 9 HA GLN 9 -5.900 -1.196 -2.808
59 HB2 GLN 9 1HB GLN 9 -3.324 -1.271 -1.305
60 HB3 GLN 9 2HB GLN 9 -3.615 0.059 -2.420
61 HG2 GLN 9 1HG GLN 9 -4.875 1.087 -0.922
62 HG3 GLN 9 2HG GLN 9 -5.933 -0.318 -0.818
63 HE21 GLN 9 1HE2 GLN 9 -2.922 1.055 0.467
64 HE22 GLN 9 2HE2 GLN 9 -3.022 0.261 1.997
65 HA PRO 10 HA PRO 10 -3.959 -2.327 -6.700
66 HB2 PRO 10 1HB PRO 10 -5.143 -0.503 -8.280
67 HB3 PRO 10 2HB PRO 10 -6.023 -1.895 -7.638
68 HG2 PRO 10 1HG PRO 10 -5.998 0.938 -6.674
69 HG3 PRO 10 2HG PRO 10 -7.370 -0.170 -6.858
70 HD2 PRO 10 1HD PRO 10 -6.138 0.330 -4.474
71 HD3 PRO 10 2HD PRO 10 -6.969 -1.195 -4.849
72 H GLY 11 H GLY 11 -2.358 -1.553 -8.079
73 HA2 GLY 11 1HA GLY 11 -0.636 -0.176 -8.824
74 HA3 GLY 11 2HA GLY 11 -1.494 1.170 -8.104
75 H CYS 12 H CYS 12 -1.366 -0.474 -5.468
76 HA CYS 12 HA CYS 12 0.645 0.891 -4.218
77 HB2 CYS 12 1HB CYS 12 -1.141 -0.352 -3.110
78 HB3 CYS 12 2HB CYS 12 -0.344 -1.844 -3.553
79 H SER 13 H SER 13 2.646 0.875 -4.430
80 HA SER 13 HA SER 13 4.275 -0.961 -5.759
81 HG SER 13 HG SER 13 6.644 -0.414 -5.370
82 HB2 SER 13 1HB SER 13 5.036 1.299 -5.468
83 HB3 SER 13 2HB SER 13 4.958 1.153 -3.715
84 H SER 14 H SER 14 5.258 -2.807 -5.113
85 HA SER 14 HA SER 14 4.505 -4.122 -2.740
86 HG SER 14 HG SER 14 4.843 -6.163 -4.890
87 HB2 SER 14 1HB SER 14 7.028 -4.609 -4.317
88 HB3 SER 14 2HB SER 14 6.169 -5.764 -3.301
89 H ALA 15 H ALA 15 7.126 -2.012 -3.548
90 HA ALA 15 HA ALA 15 8.806 -2.448 -1.347
91 HB1 ALA 15 3HB ALA 15 10.031 -0.612 -2.075
92 HB2 ALA 15 1HB ALA 15 8.607 0.206 -2.719
93 HB3 ALA 15 2HB ALA 15 9.274 -1.195 -3.556
94 H CYS 16 H CYS 16 5.751 -1.030 -1.527
95 HA CYS 16 HA CYS 16 6.142 0.820 0.669
96 HB2 CYS 16 1HB CYS 16 3.670 -0.150 -0.782
97 HB3 CYS 16 2HB CYS 16 3.590 0.907 0.618
98 H ALA 17 H ALA 17 5.485 -2.508 0.204
99 HA ALA 17 HA ALA 17 4.118 -3.003 2.674
100 HB1 ALA 17 3HB ALA 17 3.761 -4.946 1.652
101 HB2 ALA 17 1HB ALA 17 5.468 -5.350 1.847
102 HB3 ALA 17 2HB ALA 17 4.919 -4.517 0.394
103 HA PRO 18 HA PRO 18 4.205 -5.132 3.922
104 HB2 PRO 18 1HB PRO 18 4.119 -5.400 6.587
105 HB3 PRO 18 2HB PRO 18 5.176 -6.388 5.574
106 HG2 PRO 18 1HG PRO 18 5.835 -3.978 7.219
107 HG3 PRO 18 2HG PRO 18 6.744 -5.486 7.029
108 HD2 PRO 18 1HD PRO 18 7.362 -3.187 5.694
109 HD3 PRO 18 2HD PRO 18 7.708 -4.809 5.071
110 H ALA 19 H ALA 19 4.881 -1.977 5.058
111 HA ALA 19 HA ALA 19 2.545 -1.469 6.552
112 HB1 ALA 19 3HB ALA 19 4.787 0.082 5.508
113 HB2 ALA 19 1HB ALA 19 3.904 0.241 7.026
114 HB3 ALA 19 2HB ALA 19 3.266 0.978 5.558
115 H CYS 20 H CYS 20 3.436 -0.453 3.306
116 HA CYS 20 HA CYS 20 2.314 0.151 1.535
117 HB2 CYS 20 1HB CYS 20 0.619 -2.110 2.526
118 HB3 CYS 20 2HB CYS 20 0.346 -1.299 1.004
119 H ARG 21 H ARG 21 1.940 2.021 3.294
120 HA ARG 21 HA ARG 21 -0.729 2.551 4.086
121 HE ARG 21 HE ARG 21 3.693 5.474 4.777
122 HB2 ARG 21 1HB ARG 21 1.569 4.469 3.671
123 HB3 ARG 21 2HB ARG 21 0.065 4.850 4.494
124 HG2 ARG 21 1HG ARG 21 0.933 4.142 6.397
125 HG3 ARG 21 2HG ARG 21 1.114 2.527 5.710
126 HD2 ARG 21 1HD ARG 21 3.252 3.269 6.515
127 HD3 ARG 21 2HD ARG 21 3.291 3.233 4.753
128 HH11 ARG 21 1HH1 ARG 21 2.249 4.593 7.830
129 HH12 ARG 21 2HH1 ARG 21 2.426 6.175 8.512
130 HH21 ARG 21 1HH2 ARG 21 3.925 7.555 5.672
131 HH22 ARG 21 2HH2 ARG 21 3.377 7.856 7.287
132 H LEU 22 H LEU 22 -2.179 4.058 3.292
133 HA LEU 22 HA LEU 22 -2.894 3.914 0.681
134 HG LEU 22 HG LEU 22 -4.436 5.727 -0.160
135 HB2 LEU 22 1HB LEU 22 -4.408 4.774 2.362
136 HB3 LEU 22 2HB LEU 22 -3.406 6.200 2.575
137 HD11 LEU 22 1HD1 LEU 22 -6.486 5.246 0.738
138 HD12 LEU 22 2HD1 LEU 22 -6.560 7.007 0.700
139 HD13 LEU 22 3HD1 LEU 22 -6.185 6.173 2.207
140 HD21 LEU 22 3HD2 LEU 22 -3.107 7.742 1.055
141 HD22 LEU 22 1HD2 LEU 22 -4.772 8.296 1.233
142 HD23 LEU 22 2HD2 LEU 22 -4.126 7.946 -0.370
143 H SER 23 H SER 23 -1.226 6.635 2.156
144 HA SER 23 HA SER 23 -0.802 8.141 -0.140
145 HG SER 23 HG SER 23 -0.397 10.112 0.751
146 HB2 SER 23 1HB SER 23 -0.271 8.525 2.472
147 HB3 SER 23 2HB SER 23 1.359 8.194 1.885
148 H CYS 24 H CYS 24 0.882 5.303 0.956
149 HA CYS 24 HA CYS 24 3.057 5.752 -0.920
150 HB2 CYS 24 1HB CYS 24 3.473 4.850 1.434
151 HB3 CYS 24 2HB CYS 24 2.678 3.371 0.912
152 H CYS 25 H CYS 25 0.387 3.451 -0.429
153 HA CYS 25 HA CYS 25 1.101 1.731 -2.492
154 HB2 CYS 25 1HB CYS 25 -1.501 2.382 -1.180
155 HB3 CYS 25 2HB CYS 25 -1.440 1.263 -2.529
156 H SER 26 H SER 26 -1.461 4.165 -2.691
157 HA SER 26 HA SER 26 -1.400 4.079 -5.540
158 HG SER 26 HG SER 26 -3.811 6.358 -3.235
159 HB2 SER 26 1HB SER 26 -3.205 5.643 -5.481
160 HB3 SER 26 2HB SER 26 -3.461 4.433 -4.221
161 H LEU 27 H LEU 27 -0.637 6.547 -3.181
162 HA LEU 27 HA LEU 27 0.686 8.162 -5.213
163 HG LEU 27 HG LEU 27 1.868 10.136 -3.998
164 HB2 LEU 27 1HB LEU 27 -0.857 9.226 -3.623
165 HB3 LEU 27 2HB LEU 27 0.162 8.712 -2.292
166 HD11 LEU 27 1HD1 LEU 27 0.327 11.282 -5.242
167 HD12 LEU 27 2HD1 LEU 27 0.488 12.367 -3.862
168 HD13 LEU 27 3HD1 LEU 27 -0.885 11.265 -3.960
169 HD21 LEU 27 3HD2 LEU 27 0.486 10.898 -1.431
170 HD22 LEU 27 1HD2 LEU 27 1.823 11.800 -2.145
171 HD23 LEU 27 2HD2 LEU 27 2.066 10.137 -1.612
172 H GLY 28 H GLY 28 2.005 5.746 -4.677
173 HA2 GLY 28 1HA GLY 28 4.604 6.742 -4.005
174 HA3 GLY 28 2HA GLY 28 3.955 5.704 -2.743
Start of MODEL 7
1 HA ALA 1 HA ALA 1 8.325 -10.121 0.219
2 H1 ALA 1 1H ALA 1 9.311 -12.571 -1.039
3 H2 ALA 1 2H ALA 1 8.122 -12.602 0.197
4 H3 ALA 1 3H ALA 1 9.667 -11.921 0.506
5 HB1 ALA 1 3HB ALA 1 10.112 -9.485 -1.018
6 HB2 ALA 1 1HB ALA 1 8.910 -9.490 -2.309
7 HB3 ALA 1 2HB ALA 1 9.992 -10.867 -2.106
8 H GLN 2 H GLN 2 6.130 -10.532 0.396
9 HA GLN 2 HA GLN 2 4.706 -11.320 -2.044
10 HB2 GLN 2 1HB GLN 2 3.816 -11.191 0.842
11 HB3 GLN 2 2HB GLN 2 2.742 -11.574 -0.497
12 HG2 GLN 2 1HG GLN 2 5.236 -13.158 -0.025
13 HG3 GLN 2 2HG GLN 2 3.754 -13.496 0.870
14 HE21 GLN 2 1HE2 GLN 2 1.781 -13.749 -0.537
15 HE22 GLN 2 2HE2 GLN 2 1.975 -14.657 -1.994
16 H ASN 3 H ASN 3 2.908 -10.108 -2.792
17 HA ASN 3 HA ASN 3 2.961 -7.289 -1.970
18 HB2 ASN 3 1HB ASN 3 3.768 -7.968 -4.324
19 HB3 ASN 3 2HB ASN 3 2.068 -8.264 -4.675
20 HD21 ASN 3 1HD2 ASN 3 3.396 -5.749 -2.622
21 HD22 ASN 3 2HD2 ASN 3 2.861 -4.421 -3.585
22 HA PRO 4 HA PRO 4 -1.357 -9.200 -1.374
23 HB2 PRO 4 1HB PRO 4 -1.565 -8.692 1.297
24 HB3 PRO 4 2HB PRO 4 -0.954 -10.215 0.641
25 HG2 PRO 4 1HG PRO 4 0.570 -7.843 1.656
26 HG3 PRO 4 2HG PRO 4 0.861 -9.567 1.952
27 HD2 PRO 4 1HD PRO 4 2.309 -8.186 0.158
28 HD3 PRO 4 2HD PRO 4 1.856 -9.883 -0.114
29 H CYS 5 H CYS 5 0.262 -6.327 -0.373
30 HA CYS 5 HA CYS 5 -1.917 -4.743 0.312
31 HB2 CYS 5 1HB CYS 5 0.707 -3.843 -0.894
32 HB3 CYS 5 2HB CYS 5 -0.392 -2.898 0.097
33 H SER 6 H SER 6 -0.590 -5.658 -2.762
34 HA SER 6 HA SER 6 -1.779 -3.684 -4.385
35 HG SER 6 HG SER 6 -0.845 -5.469 -7.209
36 HB2 SER 6 1HB SER 6 -0.036 -5.424 -5.073
37 HB3 SER 6 2HB SER 6 -1.384 -6.547 -5.241
38 H LEU 7 H LEU 7 -2.904 -6.738 -3.139
39 HA LEU 7 HA LEU 7 -5.407 -6.842 -4.482
40 HG LEU 7 HG LEU 7 -5.827 -10.134 -2.977
41 HB2 LEU 7 1HB LEU 7 -3.984 -8.600 -3.019
42 HB3 LEU 7 2HB LEU 7 -5.113 -8.071 -1.805
43 HD11 LEU 7 1HD1 LEU 7 -8.117 -9.475 -3.300
44 HD12 LEU 7 2HD1 LEU 7 -7.642 -7.787 -3.498
45 HD13 LEU 7 3HD1 LEU 7 -7.448 -8.580 -1.935
46 HD21 LEU 7 3HD2 LEU 7 -6.283 -10.232 -5.233
47 HD22 LEU 7 1HD2 LEU 7 -4.853 -9.199 -5.206
48 HD23 LEU 7 2HD2 LEU 7 -6.455 -8.483 -5.383
49 H GLN 8 H GLN 8 -4.205 -5.460 -1.575
50 HA GLN 8 HA GLN 8 -6.795 -4.729 -0.519
51 HB2 GLN 8 1HB GLN 8 -4.148 -3.680 0.460
52 HB3 GLN 8 2HB GLN 8 -5.640 -3.892 1.364
53 HG2 GLN 8 1HG GLN 8 -5.114 -6.446 0.597
54 HG3 GLN 8 2HG GLN 8 -3.485 -5.795 0.800
55 HE21 GLN 8 1HE2 GLN 8 -6.457 -6.639 2.367
56 HE22 GLN 8 2HE2 GLN 8 -5.884 -6.499 3.990
57 H GLN 9 H GLN 9 -4.235 -3.245 -2.364
58 HA GLN 9 HA GLN 9 -5.913 -0.931 -2.837
59 HB2 GLN 9 1HB GLN 9 -3.007 -0.612 -2.072
60 HB3 GLN 9 2HB GLN 9 -4.167 0.670 -2.385
61 HG2 GLN 9 1HG GLN 9 -5.464 -0.342 -0.392
62 HG3 GLN 9 2HG GLN 9 -3.925 -1.119 -0.012
63 HE21 GLN 9 1HE2 GLN 9 -3.713 0.104 1.935
64 HE22 GLN 9 2HE2 GLN 9 -3.303 1.778 1.895
65 HA PRO 10 HA PRO 10 -4.424 -1.880 -6.915
66 HB2 PRO 10 1HB PRO 10 -5.222 0.372 -8.207
67 HB3 PRO 10 2HB PRO 10 -6.334 -0.914 -7.724
68 HG2 PRO 10 1HG PRO 10 -5.760 1.700 -6.388
69 HG3 PRO 10 2HG PRO 10 -7.317 0.887 -6.639
70 HD2 PRO 10 1HD PRO 10 -5.988 0.826 -4.276
71 HD3 PRO 10 2HD PRO 10 -7.021 -0.508 -4.830
72 H GLY 11 H GLY 11 -2.543 -1.710 -7.904
73 HA2 GLY 11 1HA GLY 11 -0.539 -0.839 -8.691
74 HA3 GLY 11 2HA GLY 11 -1.163 0.750 -8.309
75 H CYS 12 H CYS 12 -1.358 -0.858 -5.434
76 HA CYS 12 HA CYS 12 0.607 0.589 -4.175
77 HB2 CYS 12 1HB CYS 12 -1.179 -0.643 -3.045
78 HB3 CYS 12 2HB CYS 12 -0.348 -2.137 -3.413
79 H SER 13 H SER 13 2.605 0.605 -4.363
80 HA SER 13 HA SER 13 4.292 -1.238 -5.600
81 HG SER 13 HG SER 13 6.725 -0.410 -5.296
82 HB2 SER 13 1HB SER 13 4.996 1.036 -5.433
83 HB3 SER 13 2HB SER 13 4.879 1.008 -3.678
84 H SER 14 H SER 14 5.385 -2.999 -4.868
85 HA SER 14 HA SER 14 4.669 -4.247 -2.444
86 HG SER 14 HG SER 14 5.655 -4.955 -5.487
87 HB2 SER 14 1HB SER 14 7.226 -4.681 -3.982
88 HB3 SER 14 2HB SER 14 6.417 -5.828 -2.917
89 H ALA 15 H ALA 15 7.201 -2.063 -3.341
90 HA ALA 15 HA ALA 15 8.864 -2.300 -1.099
91 HB1 ALA 15 3HB ALA 15 9.992 -1.199 -2.726
92 HB2 ALA 15 1HB ALA 15 9.370 0.213 -1.870
93 HB3 ALA 15 2HB ALA 15 8.550 -0.374 -3.317
94 H CYS 16 H CYS 16 5.757 -1.030 -1.396
95 HA CYS 16 HA CYS 16 6.037 0.959 0.691
96 HB2 CYS 16 1HB CYS 16 3.630 -0.205 -0.725
97 HB3 CYS 16 2HB CYS 16 3.484 0.924 0.613
98 H ALA 17 H ALA 17 5.508 -2.416 0.400
99 HA ALA 17 HA ALA 17 4.163 -2.810 2.891
100 HB1 ALA 17 3HB ALA 17 3.856 -4.820 1.981
101 HB2 ALA 17 1HB ALA 17 5.572 -5.164 2.207
102 HB3 ALA 17 2HB ALA 17 5.008 -4.436 0.704
103 HA PRO 18 HA PRO 18 4.250 -4.781 4.306
104 HB2 PRO 18 1HB PRO 18 4.188 -4.862 6.975
105 HB3 PRO 18 2HB PRO 18 5.271 -5.895 6.037
106 HG2 PRO 18 1HG PRO 18 5.864 -3.336 7.477
107 HG3 PRO 18 2HG PRO 18 6.802 -4.840 7.442
108 HD2 PRO 18 1HD PRO 18 7.405 -2.676 5.901
109 HD3 PRO 18 2HD PRO 18 7.763 -4.344 5.423
110 H ALA 19 H ALA 19 4.912 -1.547 5.113
111 HA ALA 19 HA ALA 19 2.656 -0.895 6.668
112 HB1 ALA 19 3HB ALA 19 3.287 1.436 5.384
113 HB2 ALA 19 1HB ALA 19 4.812 0.550 5.332
114 HB3 ALA 19 2HB ALA 19 4.023 0.859 6.878
115 H CYS 20 H CYS 20 3.349 -0.252 3.281
116 HA CYS 20 HA CYS 20 2.110 0.134 1.510
117 HB2 CYS 20 1HB CYS 20 0.140 -1.748 2.773
118 HB3 CYS 20 2HB CYS 20 0.369 -1.403 1.074
119 H ARG 21 H ARG 21 1.836 2.184 3.213
120 HA ARG 21 HA ARG 21 -0.829 2.779 3.984
121 HE ARG 21 HE ARG 21 3.354 3.484 4.467
122 HB2 ARG 21 1HB ARG 21 1.552 4.582 3.528
123 HB3 ARG 21 2HB ARG 21 -0.002 5.165 4.098
124 HG2 ARG 21 1HG ARG 21 0.275 4.313 6.169
125 HG3 ARG 21 2HG ARG 21 1.180 2.911 5.596
126 HD2 ARG 21 1HD ARG 21 2.216 5.733 5.849
127 HD3 ARG 21 2HD ARG 21 2.611 4.377 6.905
128 HH11 ARG 21 1HH1 ARG 21 4.053 6.407 6.240
129 HH12 ARG 21 2HH1 ARG 21 5.616 6.617 5.524
130 HH21 ARG 21 1HH2 ARG 21 5.410 3.756 3.525
131 HH22 ARG 21 2HH2 ARG 21 6.386 5.112 3.982
132 H LEU 22 H LEU 22 -2.300 4.206 3.092
133 HA LEU 22 HA LEU 22 -3.019 3.882 0.506
134 HG LEU 22 HG LEU 22 -4.742 3.795 2.557
135 HB2 LEU 22 1HB LEU 22 -3.565 6.077 2.455
136 HB3 LEU 22 2HB LEU 22 -4.187 6.185 0.819
137 HD11 LEU 22 1HD1 LEU 22 -6.700 6.026 2.271
138 HD12 LEU 22 2HD1 LEU 22 -5.450 6.118 3.511
139 HD13 LEU 22 3HD1 LEU 22 -6.591 4.774 3.508
140 HD21 LEU 22 3HD2 LEU 22 -5.095 3.808 0.031
141 HD22 LEU 22 1HD2 LEU 22 -6.402 4.952 0.338
142 HD23 LEU 22 2HD2 LEU 22 -6.465 3.333 1.034
143 H SER 23 H SER 23 -1.393 6.726 1.785
144 HA SER 23 HA SER 23 -0.993 8.066 -0.619
145 HG SER 23 HG SER 23 0.373 7.597 2.765
146 HB2 SER 23 1HB SER 23 0.795 9.297 0.553
147 HB3 SER 23 2HB SER 23 -0.644 9.125 1.557
148 H CYS 24 H CYS 24 0.717 5.335 0.689
149 HA CYS 24 HA CYS 24 2.887 5.675 -1.217
150 HB2 CYS 24 1HB CYS 24 3.322 4.954 1.191
151 HB3 CYS 24 2HB CYS 24 2.541 3.430 0.785
152 H CYS 25 H CYS 25 0.263 3.351 -0.560
153 HA CYS 25 HA CYS 25 1.007 1.529 -2.520
154 HB2 CYS 25 1HB CYS 25 -1.605 2.184 -1.230
155 HB3 CYS 25 2HB CYS 25 -1.524 0.997 -2.519
156 H SER 26 H SER 26 -1.616 3.887 -2.846
157 HA SER 26 HA SER 26 -1.602 3.607 -5.682
158 HG SER 26 HG SER 26 -4.035 6.222 -3.780
159 HB2 SER 26 1HB SER 26 -3.437 5.137 -5.696
160 HB3 SER 26 2HB SER 26 -3.642 4.004 -4.358
161 H LEU 27 H LEU 27 -1.212 6.492 -3.728
162 HA LEU 27 HA LEU 27 -0.101 8.040 -5.804
163 HG LEU 27 HG LEU 27 1.362 9.989 -4.700
164 HB2 LEU 27 1HB LEU 27 -1.263 8.981 -3.852
165 HB3 LEU 27 2HB LEU 27 0.057 8.472 -2.821
166 HD11 LEU 27 1HD1 LEU 27 -0.304 11.036 -5.826
167 HD12 LEU 27 2HD1 LEU 27 -0.185 12.135 -4.451
168 HD13 LEU 27 3HD1 LEU 27 -1.446 10.902 -4.489
169 HD21 LEU 27 3HD2 LEU 27 2.034 10.430 -2.582
170 HD22 LEU 27 1HD2 LEU 27 0.394 10.381 -1.933
171 HD23 LEU 27 2HD2 LEU 27 0.961 11.814 -2.791
172 H GLY 28 H GLY 28 1.324 5.643 -3.844
173 HA2 GLY 28 1HA GLY 28 4.011 6.725 -4.420
174 HA3 GLY 28 2HA GLY 28 3.646 5.631 -3.095
Start of MODEL 8
1 HA ALA 1 HA ALA 1 6.946 -11.864 1.647
2 H1 ALA 1 1H ALA 1 8.853 -13.150 1.074
3 H2 ALA 1 2H ALA 1 8.796 -12.554 -0.534
4 H3 ALA 1 3H ALA 1 7.518 -13.529 0.069
5 HB1 ALA 1 3HB ALA 1 9.468 -11.015 1.485
6 HB2 ALA 1 1HB ALA 1 8.150 -9.983 2.039
7 HB3 ALA 1 2HB ALA 1 8.721 -9.866 0.375
8 H GLN 2 H GLN 2 5.141 -12.272 0.302
9 HA GLN 2 HA GLN 2 4.903 -11.008 -2.267
10 HB2 GLN 2 1HB GLN 2 3.002 -12.524 -0.496
11 HB3 GLN 2 2HB GLN 2 2.449 -11.738 -1.965
12 HG2 GLN 2 1HG GLN 2 3.525 -13.208 -3.331
13 HG3 GLN 2 2HG GLN 2 4.791 -13.548 -2.152
14 HE21 GLN 2 1HE2 GLN 2 4.238 -14.899 -0.334
15 HE22 GLN 2 2HE2 GLN 2 3.016 -16.107 -0.508
16 H ASN 3 H ASN 3 3.389 -9.352 -2.819
17 HA ASN 3 HA ASN 3 3.044 -7.400 -0.670
18 HB2 ASN 3 1HB ASN 3 4.230 -6.481 -2.487
19 HB3 ASN 3 2HB ASN 3 3.140 -7.195 -3.665
20 HD21 ASN 3 1HD2 ASN 3 2.655 -5.379 -4.656
21 HD22 ASN 3 2HD2 ASN 3 1.721 -4.097 -3.962
22 HA PRO 4 HA PRO 4 -1.293 -9.010 -1.364
23 HB2 PRO 4 1HB PRO 4 -2.122 -8.702 1.210
24 HB3 PRO 4 2HB PRO 4 -1.313 -10.160 0.621
25 HG2 PRO 4 1HG PRO 4 -0.150 -7.813 2.089
26 HG3 PRO 4 2HG PRO 4 0.112 -9.547 2.369
27 HD2 PRO 4 1HD PRO 4 1.882 -8.062 1.048
28 HD3 PRO 4 2HD PRO 4 1.560 -9.743 0.574
29 H CYS 5 H CYS 5 0.086 -6.127 -0.183
30 HA CYS 5 HA CYS 5 -2.213 -4.623 0.328
31 HB2 CYS 5 1HB CYS 5 0.463 -3.608 -0.644
32 HB3 CYS 5 2HB CYS 5 -0.752 -2.727 0.267
33 H SER 6 H SER 6 -0.581 -5.459 -2.620
34 HA SER 6 HA SER 6 -1.693 -3.517 -4.329
35 HG SER 6 HG SER 6 0.274 -4.340 -6.425
36 HB2 SER 6 1HB SER 6 -0.550 -6.252 -4.746
37 HB3 SER 6 2HB SER 6 -1.432 -5.487 -6.065
38 H LEU 7 H LEU 7 -2.796 -6.634 -3.234
39 HA LEU 7 HA LEU 7 -5.163 -6.815 -4.791
40 HG LEU 7 HG LEU 7 -5.892 -8.908 -4.854
41 HB2 LEU 7 1HB LEU 7 -3.794 -8.538 -3.242
42 HB3 LEU 7 2HB LEU 7 -5.050 -8.092 -2.124
43 HD11 LEU 7 1HD1 LEU 7 -5.243 -10.986 -2.788
44 HD12 LEU 7 2HD1 LEU 7 -4.091 -10.520 -4.039
45 HD13 LEU 7 3HD1 LEU 7 -5.652 -11.208 -4.489
46 HD21 LEU 7 3HD2 LEU 7 -7.267 -8.192 -2.688
47 HD22 LEU 7 1HD2 LEU 7 -7.114 -9.917 -2.352
48 HD23 LEU 7 2HD2 LEU 7 -7.874 -9.373 -3.849
49 H GLN 8 H GLN 8 -4.309 -5.449 -1.748
50 HA GLN 8 HA GLN 8 -7.035 -4.888 -0.945
51 HB2 GLN 8 1HB GLN 8 -4.586 -3.697 0.333
52 HB3 GLN 8 2HB GLN 8 -6.140 -4.056 1.068
53 HG2 GLN 8 1HG GLN 8 -5.333 -6.534 0.299
54 HG3 GLN 8 2HG GLN 8 -3.791 -5.762 0.683
55 HE21 GLN 8 1HE2 GLN 8 -6.680 -7.116 1.907
56 HE22 GLN 8 2HE2 GLN 8 -6.343 -6.896 3.587
57 H GLN 9 H GLN 9 -4.375 -3.208 -2.441
58 HA GLN 9 HA GLN 9 -6.122 -0.963 -3.061
59 HB2 GLN 9 1HB GLN 9 -3.466 -0.730 -1.652
60 HB3 GLN 9 2HB GLN 9 -4.207 0.614 -2.510
61 HG2 GLN 9 1HG GLN 9 -5.244 1.118 -0.617
62 HG3 GLN 9 2HG GLN 9 -6.222 -0.325 -0.863
63 HE21 GLN 9 1HE2 GLN 9 -3.319 0.916 0.725
64 HE22 GLN 9 2HE2 GLN 9 -3.261 -0.302 1.947
65 HA PRO 10 HA PRO 10 -4.162 -2.375 -6.948
66 HB2 PRO 10 1HB PRO 10 -5.661 0.084 -7.764
67 HB3 PRO 10 2HB PRO 10 -5.533 -1.477 -8.583
68 HG2 PRO 10 1HG PRO 10 -7.719 -0.864 -7.206
69 HG3 PRO 10 2HG PRO 10 -7.044 -2.503 -7.146
70 HD2 PRO 10 1HD PRO 10 -6.966 -0.344 -5.102
71 HD3 PRO 10 2HD PRO 10 -7.019 -2.106 -4.885
72 H GLY 11 H GLY 11 -2.421 -1.684 -8.094
73 HA2 GLY 11 1HA GLY 11 -0.678 -0.317 -8.795
74 HA3 GLY 11 2HA GLY 11 -1.528 1.040 -8.099
75 H CYS 12 H CYS 12 -1.496 -0.549 -5.420
76 HA CYS 12 HA CYS 12 0.585 0.780 -4.221
77 HB2 CYS 12 1HB CYS 12 -1.219 -0.337 -3.018
78 HB3 CYS 12 2HB CYS 12 -0.519 -1.882 -3.436
79 H SER 13 H SER 13 2.573 0.685 -4.465
80 HA SER 13 HA SER 13 4.122 -1.252 -5.743
81 HG SER 13 HG SER 13 6.620 -0.344 -3.770
82 HB2 SER 13 1HB SER 13 4.953 0.986 -5.594
83 HB3 SER 13 2HB SER 13 4.886 0.957 -3.837
84 H SER 14 H SER 14 5.144 -3.062 -5.027
85 HA SER 14 HA SER 14 4.397 -4.274 -2.599
86 HG SER 14 HG SER 14 5.407 -5.104 -5.693
87 HB2 SER 14 1HB SER 14 6.905 -4.848 -4.165
88 HB3 SER 14 2HB SER 14 6.038 -5.951 -3.101
89 H ALA 15 H ALA 15 7.049 -2.245 -3.508
90 HA ALA 15 HA ALA 15 8.702 -2.594 -1.275
91 HB1 ALA 15 3HB ALA 15 9.616 -1.626 -3.261
92 HB2 ALA 15 1HB ALA 15 9.715 -0.421 -1.977
93 HB3 ALA 15 2HB ALA 15 8.459 -0.297 -3.209
94 H CYS 16 H CYS 16 5.684 -1.129 -1.550
95 HA CYS 16 HA CYS 16 6.107 0.847 0.525
96 HB2 CYS 16 1HB CYS 16 3.612 -0.195 -0.837
97 HB3 CYS 16 2HB CYS 16 3.558 0.963 0.484
98 H ALA 17 H ALA 17 5.340 -2.496 0.254
99 HA ALA 17 HA ALA 17 4.045 -2.770 2.797
100 HB1 ALA 17 3HB ALA 17 4.613 -4.457 0.591
101 HB2 ALA 17 1HB ALA 17 3.562 -4.783 1.970
102 HB3 ALA 17 2HB ALA 17 5.269 -5.226 2.035
103 HA PRO 18 HA PRO 18 4.035 -4.732 4.239
104 HB2 PRO 18 1HB PRO 18 4.087 -4.803 6.906
105 HB3 PRO 18 2HB PRO 18 5.049 -5.917 5.929
106 HG2 PRO 18 1HG PRO 18 5.892 -3.401 7.323
107 HG3 PRO 18 2HG PRO 18 6.713 -4.972 7.263
108 HD2 PRO 18 1HD PRO 18 7.411 -2.870 5.678
109 HD3 PRO 18 2HD PRO 18 7.619 -4.564 5.200
110 H ALA 19 H ALA 19 4.985 -1.561 4.977
111 HA ALA 19 HA ALA 19 2.870 -0.716 6.636
112 HB1 ALA 19 3HB ALA 19 4.418 0.906 6.733
113 HB2 ALA 19 1HB ALA 19 3.586 1.551 5.319
114 HB3 ALA 19 2HB ALA 19 5.031 0.559 5.118
115 H CYS 20 H CYS 20 3.435 -0.227 3.202
116 HA CYS 20 HA CYS 20 2.137 0.197 1.475
117 HB2 CYS 20 1HB CYS 20 0.077 -1.434 2.930
118 HB3 CYS 20 2HB CYS 20 0.253 -1.204 1.206
119 H ARG 21 H ARG 21 2.128 2.318 3.155
120 HA ARG 21 HA ARG 21 -0.443 3.151 4.018
121 HE ARG 21 HE ARG 21 3.431 6.687 5.502
122 HB2 ARG 21 1HB ARG 21 2.059 4.738 3.426
123 HB3 ARG 21 2HB ARG 21 0.584 5.464 4.038
124 HG2 ARG 21 1HG ARG 21 0.804 3.671 5.914
125 HG3 ARG 21 2HG ARG 21 2.492 3.626 5.403
126 HD2 ARG 21 1HD ARG 21 1.215 6.271 5.891
127 HD3 ARG 21 2HD ARG 21 1.669 5.283 7.280
128 HH11 ARG 21 1HH1 ARG 21 3.159 3.988 7.697
129 HH12 ARG 21 2HH1 ARG 21 4.857 3.924 8.028
130 HH21 ARG 21 1HH2 ARG 21 5.665 6.605 5.936
131 HH22 ARG 21 2HH2 ARG 21 6.281 5.411 7.029
132 H LEU 22 H LEU 22 -1.870 4.606 3.141
133 HA LEU 22 HA LEU 22 -2.674 4.305 0.577
134 HG LEU 22 HG LEU 22 -4.349 4.197 2.440
135 HB2 LEU 22 1HB LEU 22 -3.055 6.538 2.523
136 HB3 LEU 22 2HB LEU 22 -3.722 6.661 0.906
137 HD11 LEU 22 1HD1 LEU 22 -6.022 6.606 2.950
138 HD12 LEU 22 2HD1 LEU 22 -4.571 6.350 3.918
139 HD13 LEU 22 3HD1 LEU 22 -5.846 5.132 3.901
140 HD21 LEU 22 3HD2 LEU 22 -6.113 4.067 1.032
141 HD22 LEU 22 1HD2 LEU 22 -5.104 5.116 0.036
142 HD23 LEU 22 2HD2 LEU 22 -6.383 5.809 1.033
143 H SER 23 H SER 23 -0.837 7.045 1.800
144 HA SER 23 HA SER 23 -0.451 8.371 -0.614
145 HG SER 23 HG SER 23 1.163 7.980 2.788
146 HB2 SER 23 1HB SER 23 1.418 9.508 0.482
147 HB3 SER 23 2HB SER 23 0.056 9.353 1.590
148 H CYS 24 H CYS 24 1.136 5.536 0.624
149 HA CYS 24 HA CYS 24 3.233 5.722 -1.377
150 HB2 CYS 24 1HB CYS 24 3.731 4.998 1.015
151 HB3 CYS 24 2HB CYS 24 2.835 3.524 0.668
152 H CYS 25 H CYS 25 0.529 3.523 -0.566
153 HA CYS 25 HA CYS 25 1.081 1.679 -2.570
154 HB2 CYS 25 1HB CYS 25 -1.423 2.440 -1.134
155 HB3 CYS 25 2HB CYS 25 -1.469 1.263 -2.433
156 H SER 26 H SER 26 -1.442 4.158 -2.747
157 HA SER 26 HA SER 26 -1.592 3.889 -5.579
158 HG SER 26 HG SER 26 -3.794 6.505 -3.411
159 HB2 SER 26 1HB SER 26 -3.344 5.510 -5.497
160 HB3 SER 26 2HB SER 26 -3.538 4.391 -4.147
161 H LEU 27 H LEU 27 -0.629 6.518 -3.475
162 HA LEU 27 HA LEU 27 0.585 7.933 -5.712
163 HG LEU 27 HG LEU 27 1.907 10.068 -4.568
164 HB2 LEU 27 1HB LEU 27 -0.851 9.058 -3.972
165 HB3 LEU 27 2HB LEU 27 0.444 8.780 -2.822
166 HD11 LEU 27 1HD1 LEU 27 0.212 11.927 -5.457
167 HD12 LEU 27 2HD1 LEU 27 -0.860 10.527 -5.506
168 HD13 LEU 27 3HD1 LEU 27 0.657 10.508 -6.405
169 HD21 LEU 27 3HD2 LEU 27 1.649 10.984 -2.430
170 HD22 LEU 27 1HD2 LEU 27 -0.082 11.242 -2.651
171 HD23 LEU 27 2HD2 LEU 27 1.078 12.247 -3.519
172 H GLY 28 H GLY 28 1.881 5.518 -5.046
173 HA2 GLY 28 1HA GLY 28 4.546 6.506 -4.651
174 HA3 GLY 28 2HA GLY 28 3.969 5.573 -3.276
Start of MODEL 9
1 HA ALA 1 HA ALA 1 6.350 -12.279 1.492
2 H1 ALA 1 1H ALA 1 5.342 -13.818 3.170
3 H2 ALA 1 2H ALA 1 3.834 -13.415 2.456
4 H3 ALA 1 3H ALA 1 4.814 -12.187 3.148
5 HB1 ALA 1 3HB ALA 1 5.300 -15.020 1.137
6 HB2 ALA 1 1HB ALA 1 6.959 -14.422 1.087
7 HB3 ALA 1 2HB ALA 1 5.900 -14.204 -0.306
8 H GLN 2 H GLN 2 5.930 -12.364 -1.090
9 HA GLN 2 HA GLN 2 4.852 -11.236 -2.816
10 HB2 GLN 2 1HB GLN 2 3.188 -13.229 -1.806
11 HB3 GLN 2 2HB GLN 2 2.141 -11.827 -1.973
12 HG2 GLN 2 1HG GLN 2 3.932 -12.542 -4.235
13 HG3 GLN 2 2HG GLN 2 2.501 -13.528 -3.945
14 HE21 GLN 2 1HE2 GLN 2 0.633 -12.855 -4.748
15 HE22 GLN 2 2HE2 GLN 2 0.321 -11.283 -5.391
16 H ASN 3 H ASN 3 3.136 -9.595 -3.345
17 HA ASN 3 HA ASN 3 3.084 -7.591 -1.216
18 HB2 ASN 3 1HB ASN 3 4.141 -6.827 -3.216
19 HB3 ASN 3 2HB ASN 3 2.820 -7.419 -4.207
20 HD21 ASN 3 1HD2 ASN 3 2.254 -5.621 -5.117
21 HD22 ASN 3 2HD2 ASN 3 1.607 -4.237 -4.300
22 HA PRO 4 HA PRO 4 -1.353 -9.081 -1.505
23 HB2 PRO 4 1HB PRO 4 -1.922 -8.759 1.142
24 HB3 PRO 4 2HB PRO 4 -1.241 -10.245 0.466
25 HG2 PRO 4 1HG PRO 4 0.159 -7.974 1.841
26 HG3 PRO 4 2HG PRO 4 0.377 -9.722 2.064
27 HD2 PRO 4 1HD PRO 4 2.067 -8.274 0.598
28 HD3 PRO 4 2HD PRO 4 1.641 -9.933 0.136
29 H CYS 5 H CYS 5 0.214 -6.255 -0.416
30 HA CYS 5 HA CYS 5 -1.993 -4.691 0.292
31 HB2 CYS 5 1HB CYS 5 0.629 -3.739 -0.872
32 HB3 CYS 5 2HB CYS 5 -0.485 -2.838 0.143
33 H SER 6 H SER 6 -0.614 -5.526 -2.784
34 HA SER 6 HA SER 6 -1.807 -3.533 -4.378
35 HG SER 6 HG SER 6 0.593 -5.104 -6.276
36 HB2 SER 6 1HB SER 6 -0.731 -6.269 -4.912
37 HB3 SER 6 2HB SER 6 -1.739 -5.513 -6.142
38 H LEU 7 H LEU 7 -2.897 -6.633 -3.228
39 HA LEU 7 HA LEU 7 -5.375 -6.751 -4.606
40 HG LEU 7 HG LEU 7 -5.908 -10.022 -3.029
41 HB2 LEU 7 1HB LEU 7 -3.937 -8.513 -3.166
42 HB3 LEU 7 2HB LEU 7 -5.099 -8.044 -1.959
43 HD11 LEU 7 1HD1 LEU 7 -8.046 -9.265 -3.909
44 HD12 LEU 7 2HD1 LEU 7 -7.404 -7.634 -4.100
45 HD13 LEU 7 3HD1 LEU 7 -7.585 -8.327 -2.488
46 HD21 LEU 7 3HD2 LEU 7 -5.841 -8.612 -5.683
47 HD22 LEU 7 1HD2 LEU 7 -6.124 -10.322 -5.355
48 HD23 LEU 7 2HD2 LEU 7 -4.518 -9.633 -5.117
49 H GLN 8 H GLN 8 -4.266 -5.420 -1.629
50 HA GLN 8 HA GLN 8 -6.912 -4.797 -0.630
51 HB2 GLN 8 1HB GLN 8 -4.353 -3.670 0.478
52 HB3 GLN 8 2HB GLN 8 -5.858 -4.005 1.320
53 HG2 GLN 8 1HG GLN 8 -5.163 -6.493 0.483
54 HG3 GLN 8 2HG GLN 8 -3.579 -5.757 0.751
55 HE21 GLN 8 1HE2 GLN 8 -3.084 -4.956 2.837
56 HE22 GLN 8 2HE2 GLN 8 -3.896 -5.564 4.236
57 H GLN 9 H GLN 9 -4.319 -3.176 -2.300
58 HA GLN 9 HA GLN 9 -6.050 -0.891 -2.800
59 HB2 GLN 9 1HB GLN 9 -3.298 -0.707 -1.579
60 HB3 GLN 9 2HB GLN 9 -4.095 0.654 -2.357
61 HG2 GLN 9 1HG GLN 9 -5.032 1.135 -0.411
62 HG3 GLN 9 2HG GLN 9 -5.965 -0.351 -0.553
63 HE21 GLN 9 1HE2 GLN 9 -2.982 1.027 0.748
64 HE22 GLN 9 2HE2 GLN 9 -2.766 -0.166 1.978
65 HA PRO 10 HA PRO 10 -4.418 -2.307 -6.825
66 HB2 PRO 10 1HB PRO 10 -5.808 0.260 -7.492
67 HB3 PRO 10 2HB PRO 10 -5.823 -1.283 -8.356
68 HG2 PRO 10 1HG PRO 10 -7.880 -0.585 -6.830
69 HG3 PRO 10 2HG PRO 10 -7.300 -2.260 -6.852
70 HD2 PRO 10 1HD PRO 10 -6.979 -0.170 -4.764
71 HD3 PRO 10 2HD PRO 10 -7.107 -1.934 -4.590
72 H GLY 11 H GLY 11 -2.657 -1.766 -7.980
73 HA2 GLY 11 1HA GLY 11 -0.846 -0.541 -8.765
74 HA3 GLY 11 2HA GLY 11 -1.614 0.895 -8.129
75 H CYS 12 H CYS 12 -1.579 -0.719 -5.397
76 HA CYS 12 HA CYS 12 0.505 0.632 -4.229
77 HB2 CYS 12 1HB CYS 12 -1.272 -0.522 -3.012
78 HB3 CYS 12 2HB CYS 12 -0.539 -2.051 -3.433
79 H SER 13 H SER 13 2.490 0.563 -4.510
80 HA SER 13 HA SER 13 4.037 -1.346 -5.825
81 HG SER 13 HG SER 13 6.731 0.076 -3.963
82 HB2 SER 13 1HB SER 13 4.850 0.891 -5.692
83 HB3 SER 13 2HB SER 13 4.800 0.873 -3.935
84 H SER 14 H SER 14 5.074 -3.149 -5.150
85 HA SER 14 HA SER 14 4.420 -4.380 -2.689
86 HG SER 14 HG SER 14 7.146 -5.938 -2.577
87 HB2 SER 14 1HB SER 14 5.214 -5.681 -4.623
88 HB3 SER 14 2HB SER 14 6.788 -4.892 -4.488
89 H ALA 15 H ALA 15 7.009 -2.331 -3.722
90 HA ALA 15 HA ALA 15 8.767 -2.637 -1.562
91 HB1 ALA 15 3HB ALA 15 9.943 -1.541 -3.122
92 HB2 ALA 15 1HB ALA 15 9.222 -0.081 -2.442
93 HB3 ALA 15 2HB ALA 15 8.496 -0.848 -3.855
94 H CYS 16 H CYS 16 5.711 -1.233 -1.731
95 HA CYS 16 HA CYS 16 6.182 0.764 0.321
96 HB2 CYS 16 1HB CYS 16 3.663 -0.295 -0.975
97 HB3 CYS 16 2HB CYS 16 3.617 0.817 0.381
98 H ALA 17 H ALA 17 5.494 -2.589 0.109
99 HA ALA 17 HA ALA 17 4.262 -2.878 2.677
100 HB1 ALA 17 3HB ALA 17 4.890 -4.578 0.479
101 HB2 ALA 17 1HB ALA 17 3.813 -4.894 1.840
102 HB3 ALA 17 2HB ALA 17 5.525 -5.308 1.952
103 HA PRO 18 HA PRO 18 4.340 -4.835 4.123
104 HB2 PRO 18 1HB PRO 18 4.430 -4.883 6.790
105 HB3 PRO 18 2HB PRO 18 5.414 -5.971 5.806
106 HG2 PRO 18 1HG PRO 18 6.192 -3.421 7.173
107 HG3 PRO 18 2HG PRO 18 7.063 -4.962 7.110
108 HD2 PRO 18 1HD PRO 18 7.668 -2.847 5.504
109 HD3 PRO 18 2HD PRO 18 7.928 -4.535 5.033
110 H ALA 19 H ALA 19 5.185 -1.624 4.834
111 HA ALA 19 HA ALA 19 3.059 -0.852 6.513
112 HB1 ALA 19 3HB ALA 19 3.703 1.430 5.151
113 HB2 ALA 19 1HB ALA 19 5.185 0.481 5.017
114 HB3 ALA 19 2HB ALA 19 4.511 0.845 6.605
115 H CYS 20 H CYS 20 3.569 -0.300 3.078
116 HA CYS 20 HA CYS 20 2.238 0.103 1.376
117 HB2 CYS 20 1HB CYS 20 0.271 -1.662 2.804
118 HB3 CYS 20 2HB CYS 20 0.414 -1.371 1.086
119 H ARG 21 H ARG 21 2.156 2.177 3.096
120 HA ARG 21 HA ARG 21 -0.441 2.892 3.996
121 HE ARG 21 HE ARG 21 1.737 4.288 7.989
122 HB2 ARG 21 1HB ARG 21 2.015 4.563 3.446
123 HB3 ARG 21 2HB ARG 21 0.509 5.255 4.020
124 HG2 ARG 21 1HG ARG 21 0.640 3.686 5.973
125 HG3 ARG 21 2HG ARG 21 2.271 3.276 5.437
126 HD2 ARG 21 1HD ARG 21 3.008 5.529 5.726
127 HD3 ARG 21 2HD ARG 21 1.361 6.088 6.016
128 HH11 ARG 21 1HH1 ARG 21 3.612 7.022 6.894
129 HH12 ARG 21 2HH1 ARG 21 4.268 7.357 8.460
130 HH21 ARG 21 1HH2 ARG 21 2.600 4.729 10.049
131 HH22 ARG 21 2HH2 ARG 21 3.694 6.055 10.253
132 H LEU 22 H LEU 22 -1.903 4.353 3.172
133 HA LEU 22 HA LEU 22 -2.742 4.065 0.612
134 HG LEU 22 HG LEU 22 -4.425 5.773 -0.216
135 HB2 LEU 22 1HB LEU 22 -4.159 5.063 2.301
136 HB3 LEU 22 2HB LEU 22 -3.119 6.474 2.380
137 HD11 LEU 22 1HD1 LEU 22 -6.208 5.674 1.474
138 HD12 LEU 22 2HD1 LEU 22 -6.392 7.047 0.383
139 HD13 LEU 22 3HD1 LEU 22 -5.767 7.294 2.013
140 HD21 LEU 22 3HD2 LEU 22 -3.204 8.145 1.088
141 HD22 LEU 22 1HD2 LEU 22 -4.517 8.414 -0.060
142 HD23 LEU 22 2HD2 LEU 22 -3.059 7.563 -0.570
143 H SER 23 H SER 23 -0.944 6.828 1.835
144 HA SER 23 HA SER 23 -0.602 8.177 -0.574
145 HG SER 23 HG SER 23 0.439 10.540 1.470
146 HB2 SER 23 1HB SER 23 0.782 8.177 2.053
147 HB3 SER 23 2HB SER 23 1.641 8.912 0.700
148 H CYS 24 H CYS 24 1.051 5.365 0.627
149 HA CYS 24 HA CYS 24 3.134 5.613 -1.384
150 HB2 CYS 24 1HB CYS 24 3.653 4.870 1.001
151 HB3 CYS 24 2HB CYS 24 2.788 3.383 0.634
152 H CYS 25 H CYS 25 0.460 3.382 -0.586
153 HA CYS 25 HA CYS 25 1.028 1.543 -2.590
154 HB2 CYS 25 1HB CYS 25 -1.486 2.289 -1.163
155 HB3 CYS 25 2HB CYS 25 -1.518 1.107 -2.459
156 H SER 26 H SER 26 -1.512 4.005 -2.769
157 HA SER 26 HA SER 26 -1.646 3.747 -5.605
158 HG SER 26 HG SER 26 -2.940 5.778 -2.780
159 HB2 SER 26 1HB SER 26 -3.412 5.354 -5.525
160 HB3 SER 26 2HB SER 26 -3.603 4.231 -4.177
161 H LEU 27 H LEU 27 -0.713 6.369 -3.479
162 HA LEU 27 HA LEU 27 0.508 7.806 -5.698
163 HG LEU 27 HG LEU 27 1.805 9.920 -4.561
164 HB2 LEU 27 1HB LEU 27 -0.947 8.922 -3.981
165 HB3 LEU 27 2HB LEU 27 0.315 8.625 -2.802
166 HD11 LEU 27 1HD1 LEU 27 0.754 11.358 -5.987
167 HD12 LEU 27 2HD1 LEU 27 -0.716 11.426 -5.014
168 HD13 LEU 27 3HD1 LEU 27 -0.388 10.014 -6.018
169 HD21 LEU 27 3HD2 LEU 27 1.782 11.624 -3.077
170 HD22 LEU 27 1HD2 LEU 27 0.815 10.492 -2.133
171 HD23 LEU 27 2HD2 LEU 27 0.022 11.749 -3.083
172 H GLY 28 H GLY 28 1.826 5.407 -5.062
173 HA2 GLY 28 1HA GLY 28 4.475 6.410 -4.628
174 HA3 GLY 28 2HA GLY 28 3.896 5.462 -3.265
Start of MODEL 10
1 HA ALA 1 HA ALA 1 7.687 -12.758 -0.258
2 H1 ALA 1 1H ALA 1 9.123 -11.031 -0.523
3 H2 ALA 1 2H ALA 1 9.177 -11.354 1.161
4 H3 ALA 1 3H ALA 1 8.279 -10.017 0.570
5 HB1 ALA 1 3HB ALA 1 6.989 -11.383 2.296
6 HB2 ALA 1 1HB ALA 1 7.431 -13.066 2.008
7 HB3 ALA 1 2HB ALA 1 5.829 -12.485 1.553
8 H GLN 2 H GLN 2 5.424 -12.912 -0.911
9 HA GLN 2 HA GLN 2 4.641 -11.262 -2.881
10 HB2 GLN 2 1HB GLN 2 2.388 -12.092 -2.678
11 HB3 GLN 2 2HB GLN 2 3.508 -13.364 -2.283
12 HG2 GLN 2 1HG GLN 2 2.568 -13.658 -0.294
13 HG3 GLN 2 2HG GLN 2 2.772 -11.951 0.100
14 HE21 GLN 2 1HE2 GLN 2 0.555 -14.223 0.073
15 HE22 GLN 2 2HE2 GLN 2 -0.853 -13.323 -0.366
16 H ASN 3 H ASN 3 3.244 -9.562 -3.196
17 HA ASN 3 HA ASN 3 3.122 -7.676 -0.965
18 HB2 ASN 3 1HB ASN 3 4.205 -6.729 -2.823
19 HB3 ASN 3 2HB ASN 3 3.023 -7.376 -3.950
20 HD21 ASN 3 1HD2 ASN 3 2.573 -5.497 -4.855
21 HD22 ASN 3 2HD2 ASN 3 1.710 -4.216 -4.072
22 HA PRO 4 HA PRO 4 -1.298 -9.133 -1.344
23 HB2 PRO 4 1HB PRO 4 -1.939 -8.768 1.278
24 HB3 PRO 4 2HB PRO 4 -1.221 -10.257 0.651
25 HG2 PRO 4 1HG PRO 4 0.114 -7.940 2.013
26 HG3 PRO 4 2HG PRO 4 0.345 -9.680 2.282
27 HD2 PRO 4 1HD PRO 4 2.057 -8.247 0.831
28 HD3 PRO 4 2HD PRO 4 1.661 -9.922 0.393
29 H CYS 5 H CYS 5 0.210 -6.268 -0.272
30 HA CYS 5 HA CYS 5 -2.016 -4.709 0.361
31 HB2 CYS 5 1HB CYS 5 0.598 -3.760 -0.825
32 HB3 CYS 5 2HB CYS 5 -0.530 -2.842 0.157
33 H SER 6 H SER 6 -0.615 -5.631 -2.677
34 HA SER 6 HA SER 6 -1.813 -3.712 -4.352
35 HG SER 6 HG SER 6 0.740 -5.457 -5.920
36 HB2 SER 6 1HB SER 6 -0.805 -6.506 -4.789
37 HB3 SER 6 2HB SER 6 -1.676 -5.671 -6.074
38 H LEU 7 H LEU 7 -2.886 -6.780 -3.099
39 HA LEU 7 HA LEU 7 -5.362 -6.962 -4.476
40 HG LEU 7 HG LEU 7 -6.008 -9.134 -4.469
41 HB2 LEU 7 1HB LEU 7 -3.910 -8.666 -2.980
42 HB3 LEU 7 2HB LEU 7 -5.079 -8.170 -1.792
43 HD11 LEU 7 1HD1 LEU 7 -4.806 -10.748 -2.286
44 HD12 LEU 7 2HD1 LEU 7 -4.796 -11.011 -4.030
45 HD13 LEU 7 3HD1 LEU 7 -6.243 -11.379 -3.091
46 HD21 LEU 7 3HD2 LEU 7 -7.378 -9.797 -1.942
47 HD22 LEU 7 1HD2 LEU 7 -8.039 -9.281 -3.493
48 HD23 LEU 7 2HD2 LEU 7 -7.352 -8.091 -2.389
49 H GLN 8 H GLN 8 -4.263 -5.527 -1.547
50 HA GLN 8 HA GLN 8 -6.906 -4.898 -0.550
51 HB2 GLN 8 1HB GLN 8 -4.335 -3.727 0.488
52 HB3 GLN 8 2HB GLN 8 -5.834 -4.013 1.357
53 HG2 GLN 8 1HG GLN 8 -5.161 -6.538 0.607
54 HG3 GLN 8 2HG GLN 8 -3.574 -5.803 0.846
55 HE21 GLN 8 1HE2 GLN 8 -4.924 -7.880 2.382
56 HE22 GLN 8 2HE2 GLN 8 -5.020 -7.290 4.004
57 H GLN 9 H GLN 9 -4.360 -3.303 -2.319
58 HA GLN 9 HA GLN 9 -6.126 -1.072 -2.855
59 HB2 GLN 9 1HB GLN 9 -3.343 -0.793 -1.720
60 HB3 GLN 9 2HB GLN 9 -4.195 0.526 -2.511
61 HG2 GLN 9 1HG GLN 9 -5.078 1.047 -0.551
62 HG3 GLN 9 2HG GLN 9 -5.983 -0.462 -0.616
63 HE21 GLN 9 1HE2 GLN 9 -2.988 1.017 0.542
64 HE22 GLN 9 2HE2 GLN 9 -2.707 -0.132 1.799
65 HA PRO 10 HA PRO 10 -4.430 -1.982 -6.871
66 HB2 PRO 10 1HB PRO 10 -5.412 0.137 -8.243
67 HB3 PRO 10 2HB PRO 10 -6.416 -1.226 -7.735
68 HG2 PRO 10 1HG PRO 10 -6.099 1.469 -6.474
69 HG3 PRO 10 2HG PRO 10 -7.575 0.521 -6.734
70 HD2 PRO 10 1HD PRO 10 -6.299 0.639 -4.342
71 HD3 PRO 10 2HD PRO 10 -7.212 -0.787 -4.876
72 H GLY 11 H GLY 11 -2.652 -1.530 -8.020
73 HA2 GLY 11 1HA GLY 11 -0.775 -0.407 -8.803
74 HA3 GLY 11 2HA GLY 11 -1.486 1.071 -8.199
75 H CYS 12 H CYS 12 -1.516 -0.578 -5.453
76 HA CYS 12 HA CYS 12 0.569 0.746 -4.259
77 HB2 CYS 12 1HB CYS 12 -1.226 -0.408 -3.066
78 HB3 CYS 12 2HB CYS 12 -0.500 -1.938 -3.497
79 H SER 13 H SER 13 2.555 0.665 -4.528
80 HA SER 13 HA SER 13 4.093 -1.250 -5.851
81 HG SER 13 HG SER 13 6.625 -0.332 -3.885
82 HB2 SER 13 1HB SER 13 4.925 0.983 -5.684
83 HB3 SER 13 2HB SER 13 4.873 0.936 -3.927
84 H SER 14 H SER 14 5.077 -3.088 -5.177
85 HA SER 14 HA SER 14 4.382 -4.301 -2.730
86 HG SER 14 HG SER 14 5.462 -5.351 -5.898
87 HB2 SER 14 1HB SER 14 6.836 -4.905 -4.370
88 HB3 SER 14 2HB SER 14 5.976 -6.003 -3.294
89 H ALA 15 H ALA 15 7.009 -2.287 -3.719
90 HA ALA 15 HA ALA 15 8.752 -2.649 -1.556
91 HB1 ALA 15 3HB ALA 15 9.973 -1.533 -3.057
92 HB2 ALA 15 1HB ALA 15 9.215 -0.072 -2.421
93 HB3 ALA 15 2HB ALA 15 8.542 -0.867 -3.845
94 H CYS 16 H CYS 16 5.720 -1.186 -1.709
95 HA CYS 16 HA CYS 16 6.217 0.777 0.363
96 HB2 CYS 16 1HB CYS 16 3.683 -0.239 -0.940
97 HB3 CYS 16 2HB CYS 16 3.660 0.879 0.414
98 H ALA 17 H ALA 17 5.477 -2.566 0.113
99 HA ALA 17 HA ALA 17 4.234 -2.859 2.675
100 HB1 ALA 17 3HB ALA 17 3.769 -4.872 1.842
101 HB2 ALA 17 1HB ALA 17 5.481 -5.296 1.915
102 HB3 ALA 17 2HB ALA 17 4.820 -4.543 0.464
103 HA PRO 18 HA PRO 18 4.278 -4.823 4.111
104 HB2 PRO 18 1HB PRO 18 4.356 -4.879 6.779
105 HB3 PRO 18 2HB PRO 18 5.326 -5.981 5.797
106 HG2 PRO 18 1HG PRO 18 6.141 -3.446 7.172
107 HG3 PRO 18 2HG PRO 18 6.987 -5.003 7.109
108 HD2 PRO 18 1HD PRO 18 7.633 -2.894 5.510
109 HD3 PRO 18 2HD PRO 18 7.865 -4.585 5.034
110 H ALA 19 H ALA 19 5.168 -1.627 4.836
111 HA ALA 19 HA ALA 19 3.043 -0.831 6.507
112 HB1 ALA 19 3HB ALA 19 3.726 1.446 5.151
113 HB2 ALA 19 1HB ALA 19 5.195 0.476 5.032
114 HB3 ALA 19 2HB ALA 19 4.511 0.850 6.613
115 H CYS 20 H CYS 20 3.577 -0.267 3.077
116 HA CYS 20 HA CYS 20 2.261 0.158 1.371
117 HB2 CYS 20 1HB CYS 20 0.269 -1.596 2.777
118 HB3 CYS 20 2HB CYS 20 0.424 -1.298 1.060
119 H ARG 21 H ARG 21 2.184 2.227 3.100
120 HA ARG 21 HA ARG 21 -0.413 2.959 3.984
121 HE ARG 21 HE ARG 21 2.006 6.714 6.952
122 HB2 ARG 21 1HB ARG 21 2.061 4.611 3.461
123 HB3 ARG 21 2HB ARG 21 0.554 5.316 4.018
124 HG2 ARG 21 1HG ARG 21 0.664 4.240 6.080
125 HG3 ARG 21 2HG ARG 21 1.846 3.062 5.509
126 HD2 ARG 21 1HD ARG 21 3.495 4.363 6.228
127 HD3 ARG 21 2HD ARG 21 2.952 5.652 5.154
128 HH11 ARG 21 1HH1 ARG 21 2.816 3.442 7.857
129 HH12 ARG 21 2HH1 ARG 21 2.489 3.694 9.538
130 HH21 ARG 21 1HH2 ARG 21 1.576 7.047 9.163
131 HH22 ARG 21 2HH2 ARG 21 1.785 5.740 10.280
132 H LEU 22 H LEU 22 -1.860 4.429 3.153
133 HA LEU 22 HA LEU 22 -2.679 4.162 0.583
134 HG LEU 22 HG LEU 22 -3.653 7.106 0.005
135 HB2 LEU 22 1HB LEU 22 -4.100 5.161 2.271
136 HB3 LEU 22 2HB LEU 22 -3.054 6.567 2.357
137 HD11 LEU 22 1HD1 LEU 22 -5.128 4.563 0.297
138 HD12 LEU 22 2HD1 LEU 22 -4.373 5.283 -1.124
139 HD13 LEU 22 3HD1 LEU 22 -5.945 5.861 -0.573
140 HD21 LEU 22 3HD2 LEU 22 -5.897 6.870 2.002
141 HD22 LEU 22 1HD2 LEU 22 -5.981 7.819 0.519
142 HD23 LEU 22 2HD2 LEU 22 -4.811 8.240 1.770
143 H SER 23 H SER 23 -0.867 6.901 1.842
144 HA SER 23 HA SER 23 -0.495 8.266 -0.552
145 HG SER 23 HG SER 23 1.798 9.595 -0.288
146 HB2 SER 23 1HB SER 23 0.048 8.995 1.864
147 HB3 SER 23 2HB SER 23 1.609 8.220 1.597
148 H CYS 24 H CYS 24 1.126 5.431 0.637
149 HA CYS 24 HA CYS 24 3.224 5.676 -1.357
150 HB2 CYS 24 1HB CYS 24 3.720 4.911 1.027
151 HB3 CYS 24 2HB CYS 24 2.845 3.433 0.642
152 H CYS 25 H CYS 25 0.524 3.462 -0.594
153 HA CYS 25 HA CYS 25 1.092 1.635 -2.608
154 HB2 CYS 25 1HB CYS 25 -1.426 2.388 -1.194
155 HB3 CYS 25 2HB CYS 25 -1.458 1.219 -2.500
156 H SER 26 H SER 26 -1.420 4.126 -2.790
157 HA SER 26 HA SER 26 -1.549 3.869 -5.625
158 HG SER 26 HG SER 26 -2.835 7.077 -4.181
159 HB2 SER 26 1HB SER 26 -3.289 5.507 -5.548
160 HB3 SER 26 2HB SER 26 -3.502 4.378 -4.209
161 H LEU 27 H LEU 27 -0.265 6.256 -3.436
162 HA LEU 27 HA LEU 27 0.911 7.693 -5.715
163 HG LEU 27 HG LEU 27 2.214 9.823 -4.602
164 HB2 LEU 27 1HB LEU 27 -0.596 8.933 -4.156
165 HB3 LEU 27 2HB LEU 27 0.568 8.653 -2.875
166 HD11 LEU 27 1HD1 LEU 27 1.225 11.423 -5.995
167 HD12 LEU 27 2HD1 LEU 27 -0.357 11.233 -5.238
168 HD13 LEU 27 3HD1 LEU 27 0.287 9.955 -6.268
169 HD21 LEU 27 3HD2 LEU 27 1.599 12.005 -3.512
170 HD22 LEU 27 1HD2 LEU 27 1.901 10.666 -2.406
171 HD23 LEU 27 2HD2 LEU 27 0.246 11.161 -2.759
172 H GLY 28 H GLY 28 2.218 5.363 -5.034
173 HA2 GLY 28 1HA GLY 28 4.817 6.408 -4.352
174 HA3 GLY 28 2HA GLY 28 4.163 5.328 -3.129