Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615468 | 2ncv RC | 26037 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 1.440 -0.337 -2.033
3 HB2 ARG 1 2HB ARG 1 2.691 1.964 -0.643
4 HB3 ARG 1 3HB ARG 1 3.541 1.347 -2.054
5 HG2 ARG 1 2HG ARG 1 0.631 2.100 -2.091
6 HG3 ARG 1 3HG ARG 1 1.932 3.228 -2.477
7 HD2 ARG 1 2HD ARG 1 2.700 1.620 -4.228
8 HD3 ARG 1 3HD ARG 1 1.255 0.662 -3.906
9 HE ARG 1 HE ARG 1 1.412 3.113 -5.391
10 HH11 ARG 1 1HH1 ARG 1 -0.655 1.057 -3.488
11 HH12 ARG 1 2HH1 ARG 1 -2.118 1.644 -4.206
12 HH21 ARG 1 1HH2 ARG 1 -0.508 3.894 -6.344
13 HH22 ARG 1 2HH2 ARG 1 -2.034 3.257 -5.831
14 H TRP 2 H TRP 2 2.487 -2.134 -2.548
15 HA TRP 2 HA TRP 2 4.984 -2.772 -1.125
16 HB2 TRP 2 2HB TRP 2 2.732 -4.331 -1.448
17 HB3 TRP 2 3HB TRP 2 3.797 -4.922 -2.720
18 HD1 TRP 2 HD1 TRP 2 6.570 -4.933 -1.362
19 HE1 TRP 2 HE1 TRP 2 7.079 -6.477 0.633
20 HE3 TRP 2 HE3 TRP 2 1.792 -5.778 0.250
21 HZ2 TRP 2 HZ2 TRP 2 5.645 -7.870 2.626
22 HZ3 TRP 2 HZ3 TRP 2 1.447 -7.228 2.207
23 HH2 TRP 2 HH2 TRP 2 3.335 -8.253 3.369
24 H SER 3 H SER 3 6.584 -1.905 -2.327
25 HA SER 3 HA SER 3 6.524 -2.149 -5.229
26 HB2 SER 3 2HB SER 3 8.796 -0.931 -3.690
27 HB3 SER 3 3HB SER 3 8.193 -0.519 -5.295
28 HG SER 3 HG SER 3 7.325 1.051 -4.134
29 H ILE 4 H ILE 4 6.821 -4.381 -5.483
30 HA ILE 4 HA ILE 4 9.520 -5.343 -4.788
31 HB ILE 4 HB ILE 4 8.514 -7.657 -4.900
32 HG12 ILE 4 2HG1 ILE 4 6.371 -6.553 -6.014
33 HG13 ILE 4 3HG1 ILE 4 6.248 -8.008 -5.031
34 HG21 ILE 4 1HG2 ILE 4 9.093 -6.614 -2.788
35 HG22 ILE 4 2HG2 ILE 4 7.537 -5.787 -2.747
36 HG23 ILE 4 3HG2 ILE 4 7.604 -7.544 -2.619
37 HD11 ILE 4 3HD1 ILE 4 4.584 -6.090 -4.640
38 HD12 ILE 4 1HD1 ILE 4 5.323 -6.870 -3.242
39 HD13 ILE 4 2HD1 ILE 4 5.921 -5.307 -3.799
40 H THR 5 H THR 5 10.544 -4.854 -6.688
41 HA THR 5 HA THR 5 9.468 -5.239 -9.265
42 HB THR 5 HB THR 5 11.834 -5.081 -10.054
43 HG1 THR 5 HG1 THR 5 12.473 -4.710 -7.306
44 HG21 THR 5 3HG2 THR 5 11.787 -2.834 -9.848
45 HG22 THR 5 1HG2 THR 5 11.674 -2.895 -8.089
46 HG23 THR 5 2HG2 THR 5 10.229 -3.124 -9.075
47 H THR 6 H THR 6 12.368 -6.959 -8.194
48 HA THR 6 HA THR 6 11.388 -9.348 -9.577
49 HB THR 6 HB THR 6 14.088 -8.292 -8.920
50 HG1 THR 6 HG1 THR 6 12.842 -9.616 -11.106
51 HG21 THR 6 3HG2 THR 6 13.458 -11.237 -9.124
52 HG22 THR 6 1HG2 THR 6 14.204 -10.399 -7.764
53 HG23 THR 6 2HG2 THR 6 15.075 -10.554 -9.290
54 H ILE 7 H ILE 7 12.402 -8.196 -6.428
55 HA ILE 7 HA ILE 7 12.748 -10.575 -5.058
56 HB ILE 7 HB ILE 7 12.935 -8.077 -4.265
57 HG12 ILE 7 2HG1 ILE 7 11.977 -10.078 -2.229
58 HG13 ILE 7 3HG1 ILE 7 13.513 -10.284 -3.063
59 HG21 ILE 7 1HG2 ILE 7 10.464 -7.731 -4.490
60 HG22 ILE 7 2HG2 ILE 7 10.253 -8.809 -3.111
61 HG23 ILE 7 3HG2 ILE 7 11.133 -7.293 -2.918
62 HD11 ILE 7 3HD1 ILE 7 12.727 -7.940 -1.347
63 HD12 ILE 7 1HD1 ILE 7 13.830 -9.242 -0.902
64 HD13 ILE 7 2HD1 ILE 7 14.262 -8.124 -2.196
65 H HIS 8 H HIS 8 9.871 -9.239 -6.371
66 HA HIS 8 HA HIS 8 7.860 -10.197 -4.763
67 HB2 HIS 8 2HB HIS 8 7.726 -8.871 -6.979
68 HB3 HIS 8 3HB HIS 8 7.692 -10.451 -7.756
69 HD1 HIS 8 HD1 HIS 8 5.269 -8.844 -8.225
70 HD2 HIS 8 HD2 HIS 8 5.683 -11.205 -4.832
71 HE1 HIS 8 HE1 HIS 8 2.927 -9.276 -7.417
72 H ASN 9 H ASN 9 10.058 -11.987 -6.750
73 HA ASN 9 HA ASN 9 8.538 -14.391 -6.904
74 HB2 ASN 9 2HB ASN 9 11.331 -13.574 -7.522
75 HB3 ASN 9 3HB ASN 9 11.034 -15.292 -7.270
76 HD21 ASN 9 1HD2 ASN 9 9.847 -16.433 -8.751
77 HD22 ASN 9 2HD2 ASN 9 9.385 -15.789 -10.286
78 H LEU 10 H LEU 10 11.023 -13.177 -4.710
79 HA LEU 10 HA LEU 10 11.161 -15.610 -3.192
80 HB2 LEU 10 2HB LEU 10 13.099 -14.208 -3.292
81 HB3 LEU 10 3HB LEU 10 12.191 -12.826 -2.682
82 HG LEU 10 HG LEU 10 12.047 -13.812 -0.497
83 HD11 LEU 10 1HD1 LEU 10 11.785 -16.147 -1.201
84 HD12 LEU 10 2HD1 LEU 10 13.028 -15.965 0.036
85 HD13 LEU 10 3HD1 LEU 10 13.490 -16.195 -1.650
86 HD21 LEU 10 3HD2 LEU 10 14.238 -12.720 -1.445
87 HD22 LEU 10 1HD2 LEU 10 14.889 -14.343 -1.217
88 HD23 LEU 10 2HD2 LEU 10 14.217 -13.462 0.156
89 H PHE 11 H PHE 11 8.842 -13.279 -3.428
90 HA PHE 11 HA PHE 11 7.998 -13.605 -0.626
91 HB2 PHE 11 2HB PHE 11 7.635 -11.392 -2.607
92 HB3 PHE 11 3HB PHE 11 6.428 -11.618 -1.345
93 HD1 PHE 11 HD2 PHE 11 7.007 -11.296 1.003
94 HD2 PHE 11 HD1 PHE 11 9.831 -10.583 -2.101
95 HE1 PHE 11 HE2 PHE 11 8.422 -10.046 2.581
96 HE2 PHE 11 HE1 PHE 11 11.250 -9.333 -0.528
97 HZ PHE 11 HZ PHE 11 10.546 -9.062 1.817
98 H ARG 12 H ARG 12 6.894 -13.674 -3.983
99 HA ARG 12 HA ARG 12 4.224 -14.212 -3.681
100 HB2 ARG 12 2HB ARG 12 4.261 -15.198 -5.846
101 HB3 ARG 12 3HB ARG 12 5.500 -13.950 -5.842
102 HG2 ARG 12 2HG ARG 12 6.687 -15.604 -6.824
103 HG3 ARG 12 3HG ARG 12 7.021 -16.012 -5.140
104 HD2 ARG 12 2HD ARG 12 5.822 -17.913 -5.234
105 HD3 ARG 12 3HD ARG 12 4.556 -17.181 -6.219
106 HE ARG 12 HE ARG 12 6.950 -17.587 -7.707
107 HH11 ARG 12 1HH1 ARG 12 4.137 -19.206 -6.446
108 HH12 ARG 12 2HH1 ARG 12 4.149 -20.447 -7.654
109 HH21 ARG 12 1HH2 ARG 12 6.976 -19.217 -9.304
110 HH22 ARG 12 2HH2 ARG 12 5.765 -20.453 -9.279
111 H LYS 13 H LYS 13 6.909 -16.252 -2.911
112 HA LYS 13 HA LYS 13 5.092 -18.512 -2.410
113 HB2 LYS 13 2HB LYS 13 7.243 -18.684 -3.894
114 HB3 LYS 13 3HB LYS 13 8.078 -18.753 -2.348
115 HG2 LYS 13 2HG LYS 13 6.119 -20.598 -1.977
116 HG3 LYS 13 3HG LYS 13 6.444 -20.770 -3.703
117 HD2 LYS 13 2HD LYS 13 8.961 -20.588 -2.544
118 HD3 LYS 13 3HD LYS 13 8.037 -21.592 -1.424
119 HE2 LYS 13 2HE LYS 13 7.297 -22.900 -3.491
120 HE3 LYS 13 3HE LYS 13 8.592 -22.058 -4.340
121 HZ1 LYS 13 3HZ LYS 13 9.996 -23.560 -3.559
122 HZ2 LYS 13 1HZ LYS 13 8.768 -24.315 -2.673
123 HZ3 LYS 13 2HZ LYS 13 9.664 -23.061 -1.977
124 H LEU 14 H LEU 14 7.613 -16.505 -0.975
125 HA LEU 14 HA LEU 14 7.712 -17.822 1.523
126 HB2 LEU 14 2HB LEU 14 9.510 -16.395 0.876
127 HB3 LEU 14 3HB LEU 14 8.424 -15.020 0.688
128 HG LEU 14 HG LEU 14 9.975 -15.142 2.754
129 HD11 LEU 14 1HD1 LEU 14 7.127 -14.664 3.490
130 HD12 LEU 14 2HD1 LEU 14 7.875 -13.672 2.239
131 HD13 LEU 14 3HD1 LEU 14 8.564 -13.711 3.862
132 HD21 LEU 14 3HD2 LEU 14 7.770 -16.594 4.087
133 HD22 LEU 14 1HD2 LEU 14 9.493 -16.551 4.460
134 HD23 LEU 14 2HD2 LEU 14 8.902 -17.560 3.139
135 H THR 15 H THR 15 6.010 -14.875 0.481
136 HA THR 15 HA THR 15 4.381 -15.020 2.923
137 HB THR 15 HB THR 15 5.513 -12.872 2.555
138 HG1 THR 15 HG1 THR 15 2.841 -12.255 2.008
139 HG21 THR 15 3HG2 THR 15 4.654 -11.431 0.664
140 HG22 THR 15 1HG2 THR 15 3.973 -12.899 -0.035
141 HG23 THR 15 2HG2 THR 15 5.717 -12.756 0.190
142 H HIS 16 H HIS 16 4.065 -16.625 0.402
143 HA HIS 16 HA HIS 16 1.964 -15.820 -1.185
144 HB2 HIS 16 2HB HIS 16 1.646 -18.098 -1.758
145 HB3 HIS 16 3HB HIS 16 3.358 -17.943 -1.373
146 HD1 HIS 16 HD1 HIS 16 0.634 -20.120 -0.790
147 HD2 HIS 16 HD2 HIS 16 3.746 -18.688 1.561
148 HE1 HIS 16 HE1 HIS 16 0.824 -21.734 1.129
149 H ARG 17 H ARG 17 1.908 -16.893 2.121
150 HA ARG 17 HA ARG 17 -0.811 -17.567 2.341
151 HB2 ARG 17 2HB ARG 17 -0.495 -17.131 4.774
152 HB3 ARG 17 3HB ARG 17 0.727 -18.189 4.082
153 HG2 ARG 17 2HG ARG 17 2.258 -16.873 4.990
154 HG3 ARG 17 3HG ARG 17 1.783 -15.628 3.833
155 HD2 ARG 17 2HD ARG 17 1.722 -14.731 6.078
156 HD3 ARG 17 3HD ARG 17 0.087 -14.828 5.427
157 HE ARG 17 HE ARG 17 0.344 -17.153 6.779
158 HH11 ARG 17 1HH1 ARG 17 0.899 -13.824 7.634
159 HH12 ARG 17 2HH1 ARG 17 0.508 -14.053 9.306
160 HH21 ARG 17 1HH2 ARG 17 -0.173 -17.467 8.978
161 HH22 ARG 17 2HH2 ARG 17 -0.101 -16.125 10.070
162 H LEU 18 H LEU 18 0.833 -14.503 2.271
163 HA LEU 18 HA LEU 18 -1.665 -13.109 2.944
164 HB2 LEU 18 2HB LEU 18 -0.087 -12.169 4.303
165 HB3 LEU 18 3HB LEU 18 1.217 -12.422 3.145
166 HG LEU 18 HG LEU 18 0.393 -10.526 1.819
167 HD11 LEU 18 1HD1 LEU 18 -1.600 -9.591 2.121
168 HD12 LEU 18 2HD1 LEU 18 -1.325 -9.396 3.852
169 HD13 LEU 18 3HD1 LEU 18 -1.966 -10.916 3.227
170 HD21 LEU 18 3HD2 LEU 18 2.111 -10.098 3.448
171 HD22 LEU 18 1HD2 LEU 18 0.912 -9.955 4.734
172 HD23 LEU 18 2HD2 LEU 18 0.973 -8.749 3.448
173 H PHE 19 H PHE 19 0.858 -13.365 0.494
174 HA PHE 19 HA PHE 19 -0.604 -11.540 -1.259
175 HB2 PHE 19 2HB PHE 19 2.139 -12.137 -0.883
176 HB3 PHE 19 3HB PHE 19 1.718 -12.669 -2.508
177 HD1 PHE 19 HD2 PHE 19 0.177 -10.893 -3.806
178 HD2 PHE 19 HD1 PHE 19 2.903 -9.995 -0.663
179 HE1 PHE 19 HE2 PHE 19 0.329 -8.571 -4.606
180 HE2 PHE 19 HE1 PHE 19 3.059 -7.671 -1.458
181 HZ PHE 19 HZ PHE 19 1.772 -6.957 -3.432
182 H ARG 20 H ARG 20 -1.599 -14.228 -0.564
183 HA ARG 20 HA ARG 20 -1.227 -16.130 -2.534
184 HB2 ARG 20 2HB ARG 20 -2.529 -16.499 -0.471
185 HB3 ARG 20 3HB ARG 20 -3.809 -15.473 -1.106
186 HG2 ARG 20 2HG ARG 20 -4.445 -17.751 -1.409
187 HG3 ARG 20 3HG ARG 20 -4.070 -17.068 -2.993
188 HD2 ARG 20 2HD ARG 20 -2.544 -18.642 -3.338
189 HD3 ARG 20 3HD ARG 20 -1.688 -18.163 -1.873
190 HE ARG 20 HE ARG 20 -2.551 -19.999 -0.828
191 HH11 ARG 20 1HH1 ARG 20 -4.456 -19.326 -3.663
192 HH12 ARG 20 2HH1 ARG 20 -5.414 -20.762 -3.520
193 HH21 ARG 20 1HH2 ARG 20 -3.805 -21.894 -0.629
194 HH22 ARG 20 2HH2 ARG 20 -5.043 -22.222 -1.794
195 H ARG 21 H ARG 21 -3.049 -13.162 -2.640
196 HA ARG 21 HA ARG 21 -4.716 -13.650 -4.816
197 HB2 ARG 21 2HB ARG 21 -4.932 -11.286 -5.028
198 HB3 ARG 21 3HB ARG 21 -4.743 -11.631 -3.314
199 HG2 ARG 21 2HG ARG 21 -2.173 -11.217 -3.997
200 HG3 ARG 21 3HG ARG 21 -2.984 -10.163 -5.156
201 HD2 ARG 21 2HD ARG 21 -3.607 -10.124 -2.215
202 HD3 ARG 21 3HD ARG 21 -2.337 -9.131 -2.927
203 HE ARG 21 HE ARG 21 -5.158 -8.683 -3.073
204 HH11 ARG 21 1HH1 ARG 21 -2.130 -8.196 -4.721
205 HH12 ARG 21 2HH1 ARG 21 -2.679 -6.802 -5.592
206 HH21 ARG 21 1HH2 ARG 21 -5.892 -6.850 -4.214
207 HH22 ARG 21 2HH2 ARG 21 -4.819 -6.037 -5.302
Start of MODEL 2
1 H1 ARG 1 H ARG 1 1.747 0.359 0.524
2 HA ARG 1 HA ARG 1 1.251 -0.775 -2.149
3 HB2 ARG 1 2HB ARG 1 2.064 1.864 -1.511
4 HB3 ARG 1 3HB ARG 1 3.458 1.050 -2.209
5 HG2 ARG 1 2HG ARG 1 0.945 0.620 -3.654
6 HG3 ARG 1 3HG ARG 1 1.513 2.290 -3.630
7 HD2 ARG 1 2HD ARG 1 3.432 1.799 -4.794
8 HD3 ARG 1 3HD ARG 1 3.456 0.121 -4.253
9 HE ARG 1 HE ARG 1 2.159 -0.445 -6.055
10 HH11 ARG 1 1HH1 ARG 1 2.102 3.011 -5.638
11 HH12 ARG 1 2HH1 ARG 1 1.273 3.308 -7.131
12 HH21 ARG 1 1HH2 ARG 1 1.068 -0.066 -8.022
13 HH22 ARG 1 2HH2 ARG 1 0.685 1.557 -8.486
14 H TRP 2 H TRP 2 2.621 -2.326 -2.801
15 HA TRP 2 HA TRP 2 4.935 -2.898 -1.072
16 HB2 TRP 2 2HB TRP 2 2.817 -4.548 -1.726
17 HB3 TRP 2 3HB TRP 2 4.080 -5.063 -2.841
18 HD1 TRP 2 HD1 TRP 2 6.632 -5.035 -1.151
19 HE1 TRP 2 HE1 TRP 2 6.927 -6.568 0.895
20 HE3 TRP 2 HE3 TRP 2 1.713 -5.982 -0.130
21 HZ2 TRP 2 HZ2 TRP 2 5.292 -7.992 2.702
22 HZ3 TRP 2 HZ3 TRP 2 1.163 -7.440 1.775
23 HH2 TRP 2 HH2 TRP 2 2.917 -8.424 3.160
24 H SER 3 H SER 3 6.540 -1.778 -2.096
25 HA SER 3 HA SER 3 6.869 -1.821 -4.943
26 HB2 SER 3 2HB SER 3 8.889 -0.961 -2.863
27 HB3 SER 3 3HB SER 3 8.847 -0.497 -4.564
28 HG SER 3 HG SER 3 7.860 0.900 -2.718
29 H ILE 4 H ILE 4 6.960 -4.080 -5.372
30 HA ILE 4 HA ILE 4 9.554 -5.299 -4.682
31 HB ILE 4 HB ILE 4 8.460 -7.510 -4.899
32 HG12 ILE 4 2HG1 ILE 4 6.176 -5.792 -5.622
33 HG13 ILE 4 3HG1 ILE 4 6.530 -7.452 -6.088
34 HG21 ILE 4 1HG2 ILE 4 8.749 -6.286 -2.716
35 HG22 ILE 4 2HG2 ILE 4 7.052 -5.823 -2.845
36 HG23 ILE 4 3HG2 ILE 4 7.495 -7.526 -2.733
37 HD11 ILE 4 3HD1 ILE 4 5.790 -8.151 -3.805
38 HD12 ILE 4 1HD1 ILE 4 5.245 -6.494 -3.549
39 HD13 ILE 4 2HD1 ILE 4 4.526 -7.471 -4.829
40 H THR 5 H THR 5 10.661 -4.727 -6.512
41 HA THR 5 HA THR 5 9.522 -5.141 -9.136
42 HB THR 5 HB THR 5 11.016 -3.238 -8.774
43 HG1 THR 5 HG1 THR 5 11.372 -3.618 -10.825
44 HG21 THR 5 3HG2 THR 5 12.459 -4.679 -7.123
45 HG22 THR 5 1HG2 THR 5 13.204 -3.385 -8.060
46 HG23 THR 5 2HG2 THR 5 13.374 -5.061 -8.580
47 H THR 6 H THR 6 12.096 -6.585 -7.168
48 HA THR 6 HA THR 6 12.062 -8.906 -8.986
49 HB THR 6 HB THR 6 14.357 -7.450 -7.770
50 HG1 THR 6 HG1 THR 6 15.107 -7.639 -9.797
51 HG21 THR 6 3HG2 THR 6 14.345 -10.430 -8.260
52 HG22 THR 6 1HG2 THR 6 14.555 -9.626 -6.706
53 HG23 THR 6 2HG2 THR 6 15.784 -9.457 -7.959
54 H ILE 7 H ILE 7 12.418 -7.774 -5.665
55 HA ILE 7 HA ILE 7 12.783 -10.197 -4.363
56 HB ILE 7 HB ILE 7 12.572 -7.664 -3.500
57 HG12 ILE 7 2HG1 ILE 7 11.932 -9.943 -1.635
58 HG13 ILE 7 3HG1 ILE 7 13.513 -9.783 -2.392
59 HG21 ILE 7 1HG2 ILE 7 10.083 -7.766 -3.818
60 HG22 ILE 7 2HG2 ILE 7 10.034 -8.930 -2.495
61 HG23 ILE 7 3HG2 ILE 7 10.614 -7.291 -2.205
62 HD11 ILE 7 3HD1 ILE 7 12.202 -8.007 -0.376
63 HD12 ILE 7 1HD1 ILE 7 13.782 -8.788 -0.317
64 HD13 ILE 7 2HD1 ILE 7 13.515 -7.418 -1.396
65 H HIS 8 H HIS 8 10.022 -9.011 -6.007
66 HA HIS 8 HA HIS 8 7.896 -10.186 -4.704
67 HB2 HIS 8 2HB HIS 8 7.986 -8.746 -6.878
68 HB3 HIS 8 3HB HIS 8 8.071 -10.302 -7.698
69 HD1 HIS 8 HD1 HIS 8 5.672 -8.830 -8.433
70 HD2 HIS 8 HD2 HIS 8 5.791 -11.094 -4.951
71 HE1 HIS 8 HE1 HIS 8 3.271 -9.315 -7.863
72 H ASN 9 H ASN 9 10.471 -11.699 -6.433
73 HA ASN 9 HA ASN 9 9.144 -14.191 -6.902
74 HB2 ASN 9 2HB ASN 9 11.951 -13.188 -7.138
75 HB3 ASN 9 3HB ASN 9 11.674 -14.927 -7.127
76 HD21 ASN 9 1HD2 ASN 9 10.182 -15.782 -8.727
77 HD22 ASN 9 2HD2 ASN 9 10.071 -15.007 -10.267
78 H LEU 10 H LEU 10 11.315 -12.928 -4.420
79 HA LEU 10 HA LEU 10 11.411 -15.443 -3.006
80 HB2 LEU 10 2HB LEU 10 13.348 -14.010 -2.960
81 HB3 LEU 10 3HB LEU 10 12.394 -12.683 -2.299
82 HG LEU 10 HG LEU 10 12.191 -13.781 -0.190
83 HD11 LEU 10 1HD1 LEU 10 13.575 -16.142 -1.455
84 HD12 LEU 10 2HD1 LEU 10 11.872 -16.059 -1.003
85 HD13 LEU 10 3HD1 LEU 10 13.119 -15.993 0.243
86 HD21 LEU 10 3HD2 LEU 10 15.042 -14.278 -0.979
87 HD22 LEU 10 1HD2 LEU 10 14.403 -13.685 0.553
88 HD23 LEU 10 2HD2 LEU 10 14.385 -12.644 -0.870
89 H PHE 11 H PHE 11 9.065 -13.200 -3.348
90 HA PHE 11 HA PHE 11 8.058 -13.588 -0.607
91 HB2 PHE 11 2HB PHE 11 7.881 -11.287 -2.498
92 HB3 PHE 11 3HB PHE 11 6.531 -11.569 -1.403
93 HD1 PHE 11 HD2 PHE 11 10.191 -11.003 -1.508
94 HD2 PHE 11 HD1 PHE 11 6.633 -10.880 0.825
95 HE1 PHE 11 HE2 PHE 11 11.411 -9.841 0.285
96 HE2 PHE 11 HE1 PHE 11 7.847 -9.717 2.621
97 HZ PHE 11 HZ PHE 11 10.239 -9.197 2.353
98 H ARG 12 H ARG 12 7.152 -13.471 -4.026
99 HA ARG 12 HA ARG 12 4.476 -14.034 -3.914
100 HB2 ARG 12 2HB ARG 12 4.721 -15.109 -6.105
101 HB3 ARG 12 3HB ARG 12 5.667 -13.630 -6.009
102 HG2 ARG 12 2HG ARG 12 7.280 -14.902 -6.903
103 HG3 ARG 12 3HG ARG 12 7.513 -15.440 -5.238
104 HD2 ARG 12 2HD ARG 12 7.303 -17.479 -6.206
105 HD3 ARG 12 3HD ARG 12 5.590 -17.143 -5.960
106 HE ARG 12 HE ARG 12 6.603 -16.229 -8.491
107 HH11 ARG 12 1HH1 ARG 12 5.249 -18.919 -6.745
108 HH12 ARG 12 2HH1 ARG 12 4.637 -19.701 -8.165
109 HH21 ARG 12 1HH2 ARG 12 5.801 -17.248 -10.368
110 HH22 ARG 12 2HH2 ARG 12 4.952 -18.750 -10.225
111 H LYS 13 H LYS 13 7.124 -16.123 -3.119
112 HA LYS 13 HA LYS 13 5.283 -18.400 -2.834
113 HB2 LYS 13 2HB LYS 13 7.554 -18.457 -4.182
114 HB3 LYS 13 3HB LYS 13 8.247 -18.692 -2.582
115 HG2 LYS 13 2HG LYS 13 6.391 -20.553 -2.422
116 HG3 LYS 13 3HG LYS 13 6.506 -20.490 -4.182
117 HD2 LYS 13 2HD LYS 13 8.517 -21.488 -4.199
118 HD3 LYS 13 3HD LYS 13 9.098 -20.547 -2.823
119 HE2 LYS 13 2HE LYS 13 7.044 -22.475 -2.091
120 HE3 LYS 13 3HE LYS 13 8.462 -23.232 -2.814
121 HZ1 LYS 13 3HZ LYS 13 9.328 -21.294 -0.989
122 HZ2 LYS 13 1HZ LYS 13 9.529 -22.972 -0.910
123 HZ3 LYS 13 2HZ LYS 13 8.167 -22.250 -0.215
124 H LEU 14 H LEU 14 7.708 -16.469 -1.153
125 HA LEU 14 HA LEU 14 7.674 -17.919 1.273
126 HB2 LEU 14 2HB LEU 14 9.497 -16.452 0.800
127 HB3 LEU 14 3HB LEU 14 8.414 -15.072 0.635
128 HG LEU 14 HG LEU 14 9.856 -15.313 2.771
129 HD11 LEU 14 1HD1 LEU 14 7.787 -13.813 2.233
130 HD12 LEU 14 2HD1 LEU 14 8.378 -13.955 3.888
131 HD13 LEU 14 3HD1 LEU 14 6.968 -14.880 3.374
132 HD21 LEU 14 3HD2 LEU 14 9.283 -16.816 4.368
133 HD22 LEU 14 1HD2 LEU 14 8.780 -17.749 2.959
134 HD23 LEU 14 2HD2 LEU 14 7.585 -16.846 3.891
135 H THR 15 H THR 15 6.023 -14.919 0.300
136 HA THR 15 HA THR 15 4.263 -15.195 2.637
137 HB THR 15 HB THR 15 5.403 -13.025 2.418
138 HG1 THR 15 HG1 THR 15 3.476 -11.764 2.585
139 HG21 THR 15 3HG2 THR 15 4.599 -11.501 0.565
140 HG22 THR 15 1HG2 THR 15 3.968 -12.942 -0.230
141 HG23 THR 15 2HG2 THR 15 5.699 -12.788 0.074
142 H HIS 16 H HIS 16 4.092 -16.682 0.031
143 HA HIS 16 HA HIS 16 2.072 -15.815 -1.627
144 HB2 HIS 16 2HB HIS 16 1.785 -18.077 -2.304
145 HB3 HIS 16 3HB HIS 16 3.482 -17.911 -1.861
146 HD1 HIS 16 HD1 HIS 16 0.921 -20.253 -1.550
147 HD2 HIS 16 HD2 HIS 16 3.655 -18.672 1.150
148 HE1 HIS 16 HE1 HIS 16 1.046 -21.917 0.332
149 H ARG 17 H ARG 17 1.848 -17.055 1.616
150 HA ARG 17 HA ARG 17 -0.876 -17.743 1.656
151 HB2 ARG 17 2HB ARG 17 -0.709 -17.657 4.057
152 HB3 ARG 17 3HB ARG 17 0.780 -18.341 3.418
153 HG2 ARG 17 2HG ARG 17 1.638 -15.884 3.555
154 HG3 ARG 17 3HG ARG 17 0.310 -15.695 4.703
155 HD2 ARG 17 2HD ARG 17 1.345 -16.908 6.286
156 HD3 ARG 17 3HD ARG 17 1.946 -18.089 5.123
157 HE ARG 17 HE ARG 17 3.417 -15.788 4.718
158 HH11 ARG 17 1HH1 ARG 17 2.852 -18.033 7.318
159 HH12 ARG 17 2HH1 ARG 17 4.413 -17.799 8.033
160 HH21 ARG 17 1HH2 ARG 17 5.475 -15.471 5.650
161 HH22 ARG 17 2HH2 ARG 17 5.904 -16.341 7.084
162 H LEU 18 H LEU 18 0.757 -14.675 1.844
163 HA LEU 18 HA LEU 18 -1.769 -13.319 2.473
164 HB2 LEU 18 2HB LEU 18 -0.229 -12.439 3.917
165 HB3 LEU 18 3HB LEU 18 1.104 -12.626 2.779
166 HG LEU 18 HG LEU 18 0.341 -10.670 1.541
167 HD11 LEU 18 1HD1 LEU 18 -1.508 -9.552 3.385
168 HD12 LEU 18 2HD1 LEU 18 -2.085 -11.152 2.920
169 HD13 LEU 18 3HD1 LEU 18 -1.746 -9.944 1.681
170 HD21 LEU 18 3HD2 LEU 18 0.845 -8.976 3.220
171 HD22 LEU 18 1HD2 LEU 18 1.913 -10.369 3.390
172 HD23 LEU 18 2HD2 LEU 18 0.564 -10.152 4.506
173 H PHE 19 H PHE 19 0.816 -13.481 0.085
174 HA PHE 19 HA PHE 19 -0.592 -11.579 -1.631
175 HB2 PHE 19 2HB PHE 19 2.132 -12.171 -1.197
176 HB3 PHE 19 3HB PHE 19 1.772 -12.690 -2.840
177 HD1 PHE 19 HD1 PHE 19 0.202 -10.891 -4.127
178 HD2 PHE 19 HD2 PHE 19 2.939 -10.046 -0.979
179 HE1 PHE 19 HE1 PHE 19 0.366 -8.560 -4.899
180 HE2 PHE 19 HE2 PHE 19 3.107 -7.714 -1.746
181 HZ PHE 19 HZ PHE 19 1.819 -6.969 -3.708
182 H ARG 20 H ARG 20 -1.620 -14.283 -1.074
183 HA ARG 20 HA ARG 20 -1.197 -16.096 -3.128
184 HB2 ARG 20 2HB ARG 20 -3.397 -17.011 -2.583
185 HB3 ARG 20 3HB ARG 20 -2.507 -16.610 -1.120
186 HG2 ARG 20 2HG ARG 20 -3.801 -14.386 -1.202
187 HG3 ARG 20 3HG ARG 20 -4.873 -15.232 -2.321
188 HD2 ARG 20 2HD ARG 20 -4.518 -17.009 -0.216
189 HD3 ARG 20 3HD ARG 20 -4.667 -15.434 0.560
190 HE ARG 20 HE ARG 20 -6.691 -15.660 -1.352
191 HH11 ARG 20 1HH1 ARG 20 -5.738 -17.093 1.674
192 HH12 ARG 20 2HH1 ARG 20 -7.358 -17.487 2.147
193 HH21 ARG 20 1HH2 ARG 20 -8.828 -16.174 -0.741
194 HH22 ARG 20 2HH2 ARG 20 -9.114 -16.965 0.772
195 H ARG 21 H ARG 21 -2.963 -13.108 -3.131
196 HA ARG 21 HA ARG 21 -4.671 -13.464 -5.291
197 HB2 ARG 21 2HB ARG 21 -3.516 -11.207 -3.848
198 HB3 ARG 21 3HB ARG 21 -3.798 -10.847 -5.546
199 HG2 ARG 21 2HG ARG 21 -5.937 -10.508 -5.112
200 HG3 ARG 21 3HG ARG 21 -6.092 -12.180 -4.568
201 HD2 ARG 21 2HD ARG 21 -5.195 -11.390 -2.336
202 HD3 ARG 21 3HD ARG 21 -5.423 -9.746 -2.931
203 HE ARG 21 HE ARG 21 -7.670 -9.976 -2.578
204 HH11 ARG 21 1HH1 ARG 21 -6.200 -13.132 -2.598
205 HH12 ARG 21 2HH1 ARG 21 -7.644 -13.951 -2.102
206 HH21 ARG 21 1HH2 ARG 21 -9.577 -11.043 -1.925
207 HH22 ARG 21 2HH2 ARG 21 -9.565 -12.762 -1.721
Start of MODEL 3
1 H1 ARG 1 H ARG 1 -0.196 -0.953 -1.892
2 HA ARG 1 HA ARG 1 1.565 -0.098 -3.937
3 HB2 ARG 1 2HB ARG 1 1.264 0.576 -1.025
4 HB3 ARG 1 3HB ARG 1 2.600 1.228 -1.965
5 HG2 ARG 1 2HG ARG 1 0.123 1.597 -3.371
6 HG3 ARG 1 3HG ARG 1 0.012 2.252 -1.737
7 HD2 ARG 1 2HD ARG 1 2.025 3.564 -2.105
8 HD3 ARG 1 3HD ARG 1 2.202 2.869 -3.716
9 HE ARG 1 HE ARG 1 -0.327 4.124 -3.414
10 HH11 ARG 1 1HH1 ARG 1 3.054 4.791 -3.910
11 HH12 ARG 1 2HH1 ARG 1 2.772 6.293 -4.726
12 HH21 ARG 1 1HH2 ARG 1 -0.711 6.101 -4.486
13 HH22 ARG 1 2HH2 ARG 1 0.630 7.038 -5.052
14 H TRP 2 H TRP 2 2.107 -2.730 -3.744
15 HA TRP 2 HA TRP 2 4.592 -2.961 -2.200
16 HB2 TRP 2 2HB TRP 2 2.489 -4.726 -2.508
17 HB3 TRP 2 3HB TRP 2 3.698 -5.355 -3.623
18 HD1 TRP 2 HD1 TRP 2 6.343 -5.027 -2.094
19 HE1 TRP 2 HE1 TRP 2 6.800 -6.289 0.103
20 HE3 TRP 2 HE3 TRP 2 1.522 -6.005 -0.701
21 HZ2 TRP 2 HZ2 TRP 2 5.313 -7.535 2.153
22 HZ3 TRP 2 HZ3 TRP 2 1.126 -7.238 1.391
23 HH2 TRP 2 HH2 TRP 2 2.984 -7.986 2.787
24 H SER 3 H SER 3 6.193 -2.076 -3.392
25 HA SER 3 HA SER 3 6.362 -2.633 -6.247
26 HB2 SER 3 2HB SER 3 8.616 -1.179 -5.593
27 HB3 SER 3 3HB SER 3 7.091 -0.501 -6.165
28 HG SER 3 HG SER 3 8.237 -0.022 -3.883
29 H ILE 4 H ILE 4 6.859 -4.847 -6.219
30 HA ILE 4 HA ILE 4 9.563 -5.486 -5.234
31 HB ILE 4 HB ILE 4 8.757 -7.885 -5.210
32 HG12 ILE 4 2HG1 ILE 4 6.635 -7.077 -6.579
33 HG13 ILE 4 3HG1 ILE 4 6.536 -8.432 -5.459
34 HG21 ILE 4 1HG2 ILE 4 9.082 -6.610 -3.169
35 HG22 ILE 4 2HG2 ILE 4 7.464 -5.927 -3.317
36 HG23 ILE 4 3HG2 ILE 4 7.668 -7.653 -3.021
37 HD11 ILE 4 3HD1 ILE 4 5.375 -7.209 -3.884
38 HD12 ILE 4 1HD1 ILE 4 5.926 -5.662 -4.528
39 HD13 ILE 4 2HD1 ILE 4 4.720 -6.605 -5.405
40 H THR 5 H THR 5 10.674 -5.028 -7.108
41 HA THR 5 HA THR 5 9.940 -5.627 -9.712
42 HB THR 5 HB THR 5 11.799 -4.308 -9.732
43 HG1 THR 5 HG1 THR 5 12.408 -5.988 -11.079
44 HG21 THR 5 3HG2 THR 5 12.492 -5.785 -7.268
45 HG22 THR 5 1HG2 THR 5 12.590 -4.060 -7.621
46 HG23 THR 5 2HG2 THR 5 13.848 -5.152 -8.201
47 H THR 6 H THR 6 12.544 -7.434 -8.111
48 HA THR 6 HA THR 6 11.544 -9.869 -9.431
49 HB THR 6 HB THR 6 14.285 -8.861 -8.875
50 HG1 THR 6 HG1 THR 6 14.487 -9.323 -10.958
51 HG21 THR 6 3HG2 THR 6 13.534 -11.782 -8.815
52 HG22 THR 6 1HG2 THR 6 14.354 -10.862 -7.555
53 HG23 THR 6 2HG2 THR 6 15.175 -11.193 -9.081
54 H ILE 7 H ILE 7 12.572 -8.475 -6.395
55 HA ILE 7 HA ILE 7 12.902 -10.701 -4.805
56 HB ILE 7 HB ILE 7 13.056 -8.164 -4.219
57 HG12 ILE 7 2HG1 ILE 7 11.962 -9.969 -2.068
58 HG13 ILE 7 3HG1 ILE 7 13.552 -10.229 -2.776
59 HG21 ILE 7 1HG2 ILE 7 10.637 -7.764 -4.609
60 HG22 ILE 7 2HG2 ILE 7 10.284 -8.767 -3.204
61 HG23 ILE 7 3HG2 ILE 7 11.186 -7.265 -3.010
62 HD11 ILE 7 3HD1 ILE 7 13.345 -8.885 -0.589
63 HD12 ILE 7 1HD1 ILE 7 14.415 -8.294 -1.859
64 HD13 ILE 7 2HD1 ILE 7 12.823 -7.567 -1.638
65 H HIS 8 H HIS 8 10.020 -9.525 -6.270
66 HA HIS 8 HA HIS 8 7.982 -10.351 -4.657
67 HB2 HIS 8 2HB HIS 8 7.779 -9.289 -6.934
68 HB3 HIS 8 3HB HIS 8 8.048 -10.885 -7.630
69 HD1 HIS 8 HD1 HIS 8 5.543 -10.116 -8.595
70 HD2 HIS 8 HD2 HIS 8 5.836 -11.380 -4.647
71 HE1 HIS 8 HE1 HIS 8 3.206 -10.752 -7.917
72 H ASN 9 H ASN 9 10.216 -12.346 -6.441
73 HA ASN 9 HA ASN 9 8.776 -14.775 -6.305
74 HB2 ASN 9 2HB ASN 9 11.652 -14.056 -6.758
75 HB3 ASN 9 3HB ASN 9 11.200 -15.741 -6.520
76 HD21 ASN 9 1HD2 ASN 9 11.503 -13.242 -8.727
77 HD22 ASN 9 2HD2 ASN 9 10.674 -13.970 -10.057
78 H LEU 10 H LEU 10 11.295 -13.380 -4.229
79 HA LEU 10 HA LEU 10 11.402 -15.546 -2.413
80 HB2 LEU 10 2HB LEU 10 13.248 -14.095 -2.440
81 HB3 LEU 10 3HB LEU 10 12.232 -12.667 -2.256
82 HG LEU 10 HG LEU 10 11.758 -13.321 0.065
83 HD11 LEU 10 1HD1 LEU 10 13.808 -15.489 -0.338
84 HD12 LEU 10 2HD1 LEU 10 12.067 -15.767 -0.308
85 HD13 LEU 10 3HD1 LEU 10 12.883 -15.140 1.123
86 HD21 LEU 10 3HD2 LEU 10 14.375 -12.601 -0.994
87 HD22 LEU 10 1HD2 LEU 10 14.451 -13.330 0.610
88 HD23 LEU 10 2HD2 LEU 10 13.457 -11.898 0.339
89 H PHE 11 H PHE 11 9.063 -13.163 -2.929
90 HA PHE 11 HA PHE 11 8.029 -13.343 -0.194
91 HB2 PHE 11 2HB PHE 11 7.508 -11.484 -2.494
92 HB3 PHE 11 3HB PHE 11 6.348 -11.615 -1.176
93 HD1 PHE 11 HD1 PHE 11 6.997 -10.966 1.112
94 HD2 PHE 11 HD2 PHE 11 9.570 -10.340 -2.221
95 HE1 PHE 11 HE1 PHE 11 8.321 -9.371 2.438
96 HE2 PHE 11 HE2 PHE 11 10.898 -8.745 -0.900
97 HZ PHE 11 HZ PHE 11 10.275 -8.259 1.432
98 H ARG 12 H ARG 12 7.124 -13.976 -3.550
99 HA ARG 12 HA ARG 12 4.501 -14.712 -3.306
100 HB2 ARG 12 2HB ARG 12 4.707 -15.745 -5.353
101 HB3 ARG 12 3HB ARG 12 6.145 -14.733 -5.357
102 HG2 ARG 12 2HG ARG 12 7.309 -16.824 -4.358
103 HG3 ARG 12 3HG ARG 12 5.913 -17.688 -5.005
104 HD2 ARG 12 2HD ARG 12 6.865 -15.897 -6.999
105 HD3 ARG 12 3HD ARG 12 8.239 -16.805 -6.369
106 HE ARG 12 HE ARG 12 7.398 -18.699 -7.348
107 HH11 ARG 12 1HH1 ARG 12 4.937 -16.237 -7.299
108 HH12 ARG 12 2HH1 ARG 12 3.840 -17.129 -8.301
109 HH21 ARG 12 1HH2 ARG 12 5.963 -19.883 -8.668
110 HH22 ARG 12 2HH2 ARG 12 4.425 -19.203 -9.079
111 H LYS 13 H LYS 13 7.295 -16.380 -2.117
112 HA LYS 13 HA LYS 13 5.639 -18.691 -1.363
113 HB2 LYS 13 2HB LYS 13 8.630 -18.375 -1.620
114 HB3 LYS 13 3HB LYS 13 7.871 -19.787 -0.898
115 HG2 LYS 13 2HG LYS 13 7.010 -20.520 -2.907
116 HG3 LYS 13 3HG LYS 13 7.075 -18.915 -3.639
117 HD2 LYS 13 2HD LYS 13 8.941 -19.643 -4.643
118 HD3 LYS 13 3HD LYS 13 9.711 -19.415 -3.071
119 HE2 LYS 13 2HE LYS 13 8.500 -21.964 -4.135
120 HE3 LYS 13 3HE LYS 13 10.217 -21.622 -3.930
121 HZ1 LYS 13 3HZ LYS 13 9.823 -22.745 -2.016
122 HZ2 LYS 13 1HZ LYS 13 8.199 -22.280 -1.923
123 HZ3 LYS 13 2HZ LYS 13 9.416 -21.197 -1.469
124 H LEU 14 H LEU 14 7.860 -16.254 -0.116
125 HA LEU 14 HA LEU 14 7.931 -17.169 2.552
126 HB2 LEU 14 2HB LEU 14 9.597 -15.645 1.817
127 HB3 LEU 14 3HB LEU 14 8.387 -14.464 1.320
128 HG LEU 14 HG LEU 14 9.753 -14.050 3.476
129 HD11 LEU 14 1HD1 LEU 14 7.538 -12.975 2.574
130 HD12 LEU 14 2HD1 LEU 14 8.105 -12.639 4.209
131 HD13 LEU 14 3HD1 LEU 14 6.821 -13.819 3.947
132 HD21 LEU 14 3HD2 LEU 14 7.624 -15.516 4.905
133 HD22 LEU 14 1HD2 LEU 14 9.304 -15.224 5.354
134 HD23 LEU 14 2HD2 LEU 14 8.910 -16.493 4.194
135 H THR 15 H THR 15 5.979 -14.624 1.005
136 HA THR 15 HA THR 15 4.187 -14.681 3.339
137 HB THR 15 HB THR 15 5.224 -12.477 2.751
138 HG1 THR 15 HG1 THR 15 3.435 -11.562 3.462
139 HG21 THR 15 3HG2 THR 15 3.462 -11.749 0.638
140 HG22 THR 15 1HG2 THR 15 4.341 -13.197 0.149
141 HG23 THR 15 2HG2 THR 15 5.225 -11.753 0.645
142 H HIS 16 H HIS 16 4.182 -16.589 1.086
143 HA HIS 16 HA HIS 16 2.208 -16.134 -0.795
144 HB2 HIS 16 2HB HIS 16 3.779 -18.168 -0.484
145 HB3 HIS 16 3HB HIS 16 2.502 -18.811 0.544
146 HD1 HIS 16 HD1 HIS 16 1.608 -16.873 -2.521
147 HD2 HIS 16 HD2 HIS 16 1.912 -20.834 -1.304
148 HE1 HIS 16 HE1 HIS 16 0.495 -18.220 -4.330
149 H ARG 17 H ARG 17 1.902 -16.679 2.604
150 HA ARG 17 HA ARG 17 -0.787 -17.563 2.654
151 HB2 ARG 17 2HB ARG 17 0.598 -15.997 4.830
152 HB3 ARG 17 3HB ARG 17 -0.724 -17.145 5.003
153 HG2 ARG 17 2HG ARG 17 0.845 -18.627 5.538
154 HG3 ARG 17 3HG ARG 17 1.237 -18.655 3.817
155 HD2 ARG 17 2HD ARG 17 2.598 -16.447 4.706
156 HD3 ARG 17 3HD ARG 17 2.733 -17.553 6.073
157 HE ARG 17 HE ARG 17 4.085 -17.755 3.586
158 HH11 ARG 17 1HH1 ARG 17 2.608 -19.666 6.093
159 HH12 ARG 17 2HH1 ARG 17 3.598 -21.057 5.796
160 HH21 ARG 17 1HH2 ARG 17 5.394 -19.580 3.186
161 HH22 ARG 17 2HH2 ARG 17 5.183 -21.006 4.143
162 H LEU 18 H LEU 18 0.688 -14.443 2.320
163 HA LEU 18 HA LEU 18 -1.921 -13.130 2.648
164 HB2 LEU 18 2HB LEU 18 -0.501 -11.944 3.991
165 HB3 LEU 18 3HB LEU 18 0.898 -12.249 2.963
166 HG LEU 18 HG LEU 18 0.071 -10.576 1.364
167 HD11 LEU 18 1HD1 LEU 18 -2.359 -10.945 2.641
168 HD12 LEU 18 2HD1 LEU 18 -1.982 -9.726 1.423
169 HD13 LEU 18 3HD1 LEU 18 -1.848 -9.331 3.136
170 HD21 LEU 18 3HD2 LEU 18 0.935 -10.057 4.084
171 HD22 LEU 18 1HD2 LEU 18 0.032 -8.705 3.401
172 HD23 LEU 18 2HD2 LEU 18 1.460 -9.320 2.569
173 H PHE 19 H PHE 19 0.783 -13.548 0.430
174 HA PHE 19 HA PHE 19 -0.616 -12.021 -1.632
175 HB2 PHE 19 2HB PHE 19 2.150 -12.617 -1.044
176 HB3 PHE 19 3HB PHE 19 1.762 -13.061 -2.703
177 HD1 PHE 19 HD1 PHE 19 0.474 -10.266 -0.615
178 HD2 PHE 19 HD2 PHE 19 2.733 -11.434 -4.028
179 HE1 PHE 19 HE1 PHE 19 0.672 -7.907 -1.288
180 HE2 PHE 19 HE2 PHE 19 2.936 -9.078 -4.705
181 HZ PHE 19 HZ PHE 19 1.905 -7.310 -3.334
182 H ARG 20 H ARG 20 -1.455 -14.713 -0.636
183 HA ARG 20 HA ARG 20 -0.886 -16.781 -2.367
184 HB2 ARG 20 2HB ARG 20 -2.893 -17.814 -1.643
185 HB3 ARG 20 3HB ARG 20 -2.327 -16.849 -0.286
186 HG2 ARG 20 2HG ARG 20 -3.916 -15.055 -1.023
187 HG3 ARG 20 3HG ARG 20 -4.575 -16.216 -2.177
188 HD2 ARG 20 2HD ARG 20 -5.175 -17.715 -0.370
189 HD3 ARG 20 3HD ARG 20 -4.430 -16.634 0.806
190 HE ARG 20 HE ARG 20 -6.312 -15.335 0.748
191 HH11 ARG 20 1HH1 ARG 20 -6.308 -17.455 -2.014
192 HH12 ARG 20 2HH1 ARG 20 -7.914 -17.031 -2.506
193 HH21 ARG 20 1HH2 ARG 20 -8.428 -14.769 0.111
194 HH22 ARG 20 2HH2 ARG 20 -9.118 -15.502 -1.297
195 H ARG 21 H ARG 21 -2.935 -13.996 -2.868
196 HA ARG 21 HA ARG 21 -4.423 -14.845 -5.062
197 HB2 ARG 21 2HB ARG 21 -3.348 -12.089 -4.435
198 HB3 ARG 21 3HB ARG 21 -4.575 -12.430 -5.648
199 HG2 ARG 21 2HG ARG 21 -6.115 -12.183 -4.081
200 HG3 ARG 21 3HG ARG 21 -5.484 -13.627 -3.286
201 HD2 ARG 21 2HD ARG 21 -5.369 -12.045 -1.602
202 HD3 ARG 21 3HD ARG 21 -3.739 -12.001 -2.273
203 HE ARG 21 HE ARG 21 -4.130 -9.863 -3.012
204 HH11 ARG 21 1HH1 ARG 21 -7.138 -11.331 -2.055
205 HH12 ARG 21 2HH1 ARG 21 -8.043 -9.859 -2.168
206 HH21 ARG 21 1HH2 ARG 21 -5.311 -7.918 -3.165
207 HH22 ARG 21 2HH2 ARG 21 -7.004 -7.918 -2.801
Start of MODEL 4
1 H1 ARG 1 H ARG 1 0.193 -0.466 -1.216
2 HA ARG 1 HA ARG 1 1.747 -0.429 -2.905
3 HB2 ARG 1 2HB ARG 1 2.830 1.501 -0.859
4 HB3 ARG 1 3HB ARG 1 3.548 1.323 -2.454
5 HG2 ARG 1 2HG ARG 1 1.490 2.013 -3.505
6 HG3 ARG 1 3HG ARG 1 0.680 2.078 -1.939
7 HD2 ARG 1 2HD ARG 1 1.451 4.128 -1.540
8 HD3 ARG 1 3HD ARG 1 3.102 3.648 -1.928
9 HE ARG 1 HE ARG 1 2.840 4.558 -4.013
10 HH11 ARG 1 1HH1 ARG 1 -0.285 4.189 -2.524
11 HH12 ARG 1 2HH1 ARG 1 -1.123 5.063 -3.762
12 HH21 ARG 1 1HH2 ARG 1 1.748 5.712 -5.649
13 HH22 ARG 1 2HH2 ARG 1 0.034 5.929 -5.540
14 H TRP 2 H TRP 2 2.811 -2.278 -3.272
15 HA TRP 2 HA TRP 2 5.151 -2.876 -1.583
16 HB2 TRP 2 2HB TRP 2 2.957 -4.489 -2.039
17 HB3 TRP 2 3HB TRP 2 4.139 -5.098 -3.194
18 HD1 TRP 2 HD1 TRP 2 6.783 -5.038 -1.626
19 HE1 TRP 2 HE1 TRP 2 7.145 -6.491 0.467
20 HE3 TRP 2 HE3 TRP 2 1.900 -5.851 -0.346
21 HZ2 TRP 2 HZ2 TRP 2 5.570 -7.809 2.404
22 HZ3 TRP 2 HZ3 TRP 2 1.414 -7.219 1.640
23 HH2 TRP 2 HH2 TRP 2 3.212 -8.177 2.985
24 H SER 3 H SER 3 6.813 -1.993 -2.691
25 HA SER 3 HA SER 3 6.985 -2.339 -5.579
26 HB2 SER 3 2HB SER 3 9.112 -1.009 -3.937
27 HB3 SER 3 3HB SER 3 8.587 -0.651 -5.581
28 HG SER 3 HG SER 3 7.704 0.938 -4.389
29 H ILE 4 H ILE 4 7.355 -4.574 -5.714
30 HA ILE 4 HA ILE 4 10.007 -5.439 -4.761
31 HB ILE 4 HB ILE 4 9.067 -7.784 -4.932
32 HG12 ILE 4 2HG1 ILE 4 7.011 -6.750 -6.249
33 HG13 ILE 4 3HG1 ILE 4 6.823 -8.181 -5.241
34 HG21 ILE 4 1HG2 ILE 4 9.440 -6.694 -2.795
35 HG22 ILE 4 2HG2 ILE 4 7.867 -5.906 -2.901
36 HG23 ILE 4 3HG2 ILE 4 7.965 -7.660 -2.740
37 HD11 ILE 4 3HD1 ILE 4 5.111 -6.264 -5.057
38 HD12 ILE 4 1HD1 ILE 4 5.713 -7.022 -3.583
39 HD13 ILE 4 2HD1 ILE 4 6.356 -5.463 -4.099
40 H THR 5 H THR 5 11.165 -4.900 -6.586
41 HA THR 5 HA THR 5 10.432 -5.256 -9.234
42 HB THR 5 HB THR 5 12.361 -4.044 -9.136
43 HG1 THR 5 HG1 THR 5 13.034 -5.493 -10.613
44 HG21 THR 5 3HG2 THR 5 14.340 -5.119 -7.659
45 HG22 THR 5 1HG2 THR 5 12.940 -5.741 -6.787
46 HG23 THR 5 2HG2 THR 5 13.140 -4.003 -7.007
47 H THR 6 H THR 6 12.911 -7.322 -7.753
48 HA THR 6 HA THR 6 11.794 -9.590 -9.263
49 HB THR 6 HB THR 6 14.581 -8.779 -8.621
50 HG1 THR 6 HG1 THR 6 13.450 -8.740 -10.753
51 HG21 THR 6 3HG2 THR 6 13.672 -11.651 -8.785
52 HG22 THR 6 1HG2 THR 6 14.532 -10.874 -7.456
53 HG23 THR 6 2HG2 THR 6 15.344 -11.135 -9.000
54 H ILE 7 H ILE 7 12.868 -8.489 -6.125
55 HA ILE 7 HA ILE 7 13.065 -10.843 -4.707
56 HB ILE 7 HB ILE 7 13.338 -8.361 -3.935
57 HG12 ILE 7 2HG1 ILE 7 12.167 -10.275 -1.924
58 HG13 ILE 7 3HG1 ILE 7 13.742 -10.553 -2.658
59 HG21 ILE 7 1HG2 ILE 7 10.934 -7.834 -4.285
60 HG22 ILE 7 2HG2 ILE 7 10.546 -8.919 -2.952
61 HG23 ILE 7 3HG2 ILE 7 11.511 -7.473 -2.659
62 HD11 ILE 7 3HD1 ILE 7 14.735 -8.987 -1.409
63 HD12 ILE 7 1HD1 ILE 7 13.371 -7.877 -1.528
64 HD13 ILE 7 2HD1 ILE 7 13.334 -9.198 -0.359
65 H HIS 8 H HIS 8 10.262 -9.407 -6.093
66 HA HIS 8 HA HIS 8 8.169 -10.244 -4.557
67 HB2 HIS 8 2HB HIS 8 8.041 -9.001 -6.745
68 HB3 HIS 8 3HB HIS 8 8.236 -10.549 -7.563
69 HD1 HIS 8 HD1 HIS 8 5.785 -9.597 -8.485
70 HD2 HIS 8 HD2 HIS 8 5.970 -11.147 -4.635
71 HE1 HIS 8 HE1 HIS 8 3.412 -10.161 -7.872
72 H ASN 9 H ASN 9 10.311 -12.213 -6.478
73 HA ASN 9 HA ASN 9 8.741 -14.565 -6.531
74 HB2 ASN 9 2HB ASN 9 11.660 -13.978 -6.916
75 HB3 ASN 9 3HB ASN 9 11.099 -15.646 -6.832
76 HD21 ASN 9 1HD2 ASN 9 10.693 -12.601 -8.546
77 HD22 ASN 9 2HD2 ASN 9 10.175 -13.301 -10.039
78 H LEU 10 H LEU 10 11.329 -13.471 -4.358
79 HA LEU 10 HA LEU 10 11.315 -15.770 -2.713
80 HB2 LEU 10 2HB LEU 10 13.233 -14.421 -2.626
81 HB3 LEU 10 3HB LEU 10 12.292 -12.959 -2.338
82 HG LEU 10 HG LEU 10 11.772 -13.758 -0.073
83 HD11 LEU 10 1HD1 LEU 10 11.963 -16.183 -0.629
84 HD12 LEU 10 2HD1 LEU 10 12.797 -15.705 0.849
85 HD13 LEU 10 3HD1 LEU 10 13.716 -15.990 -0.629
86 HD21 LEU 10 3HD2 LEU 10 14.588 -13.387 -0.983
87 HD22 LEU 10 1HD2 LEU 10 14.268 -13.773 0.708
88 HD23 LEU 10 2HD2 LEU 10 13.567 -12.324 -0.014
89 H PHE 11 H PHE 11 9.107 -13.232 -3.040
90 HA PHE 11 HA PHE 11 8.054 -13.573 -0.328
91 HB2 PHE 11 2HB PHE 11 7.654 -11.509 -2.470
92 HB3 PHE 11 3HB PHE 11 6.468 -11.686 -1.181
93 HD1 PHE 11 HD1 PHE 11 7.090 -11.225 1.148
94 HD2 PHE 11 HD2 PHE 11 9.792 -10.540 -2.068
95 HE1 PHE 11 HE1 PHE 11 8.473 -9.815 2.615
96 HE2 PHE 11 HE2 PHE 11 11.181 -9.131 -0.606
97 HZ PHE 11 HZ PHE 11 10.523 -8.767 1.739
98 H ARG 12 H ARG 12 7.132 -13.891 -3.724
99 HA ARG 12 HA ARG 12 4.472 -14.500 -3.541
100 HB2 ARG 12 2HB ARG 12 4.632 -15.376 -5.663
101 HB3 ARG 12 3HB ARG 12 6.127 -14.453 -5.584
102 HG2 ARG 12 2HG ARG 12 7.164 -16.678 -4.753
103 HG3 ARG 12 3HG ARG 12 5.723 -17.408 -5.463
104 HD2 ARG 12 2HD ARG 12 6.755 -15.542 -7.329
105 HD3 ARG 12 3HD ARG 12 8.102 -16.523 -6.755
106 HE ARG 12 HE ARG 12 7.208 -18.337 -7.839
107 HH11 ARG 12 1HH1 ARG 12 4.838 -15.791 -7.686
108 HH12 ARG 12 2HH1 ARG 12 3.728 -16.583 -8.755
109 HH21 ARG 12 1HH2 ARG 12 5.754 -19.390 -9.247
110 HH22 ARG 12 2HH2 ARG 12 4.249 -18.630 -9.641
111 H LYS 13 H LYS 13 7.165 -16.403 -2.480
112 HA LYS 13 HA LYS 13 5.380 -18.672 -1.909
113 HB2 LYS 13 2HB LYS 13 8.386 -18.504 -2.143
114 HB3 LYS 13 3HB LYS 13 7.546 -19.924 -1.533
115 HG2 LYS 13 2HG LYS 13 6.654 -20.449 -3.593
116 HG3 LYS 13 3HG LYS 13 6.810 -18.797 -4.197
117 HD2 LYS 13 2HD LYS 13 8.637 -19.543 -5.256
118 HD3 LYS 13 3HD LYS 13 9.413 -19.488 -3.671
119 HE2 LYS 13 2HE LYS 13 8.914 -21.809 -3.290
120 HE3 LYS 13 3HE LYS 13 7.955 -21.890 -4.767
121 HZ1 LYS 13 3HZ LYS 13 10.271 -22.808 -4.911
122 HZ2 LYS 13 1HZ LYS 13 10.842 -21.222 -4.767
123 HZ3 LYS 13 2HZ LYS 13 9.876 -21.657 -6.086
124 H LEU 14 H LEU 14 7.729 -16.466 -0.479
125 HA LEU 14 HA LEU 14 7.743 -17.588 2.109
126 HB2 LEU 14 2HB LEU 14 9.489 -16.101 1.489
127 HB3 LEU 14 3HB LEU 14 8.344 -14.821 1.094
128 HG LEU 14 HG LEU 14 9.730 -14.657 3.270
129 HD11 LEU 14 1HD1 LEU 14 8.159 -13.224 4.123
130 HD12 LEU 14 2HD1 LEU 14 6.815 -14.308 3.769
131 HD13 LEU 14 3HD1 LEU 14 7.576 -13.395 2.467
132 HD21 LEU 14 3HD2 LEU 14 8.760 -17.100 3.794
133 HD22 LEU 14 1HD2 LEU 14 7.525 -16.119 4.584
134 HD23 LEU 14 2HD2 LEU 14 9.217 -15.951 5.053
135 H THR 15 H THR 15 5.934 -14.829 0.770
136 HA THR 15 HA THR 15 4.143 -14.961 3.101
137 HB THR 15 HB THR 15 5.286 -12.775 2.644
138 HG1 THR 15 HG1 THR 15 3.445 -11.637 3.138
139 HG21 THR 15 3HG2 THR 15 3.542 -11.828 0.604
140 HG22 THR 15 1HG2 THR 15 4.347 -13.281 0.012
141 HG23 THR 15 2HG2 THR 15 5.303 -11.916 0.590
142 H HIS 16 H HIS 16 4.029 -16.724 0.743
143 HA HIS 16 HA HIS 16 2.084 -16.059 -1.103
144 HB2 HIS 16 2HB HIS 16 3.498 -18.153 -1.056
145 HB3 HIS 16 3HB HIS 16 2.376 -18.798 0.138
146 HD1 HIS 16 HD1 HIS 16 2.952 -18.681 -3.408
147 HD2 HIS 16 HD2 HIS 16 -0.395 -18.890 -0.955
148 HE1 HIS 16 HE1 HIS 16 1.088 -19.504 -4.882
149 H ARG 17 H ARG 17 1.744 -16.789 2.261
150 HA ARG 17 HA ARG 17 -0.989 -17.517 2.271
151 HB2 ARG 17 2HB ARG 17 -0.903 -17.242 4.636
152 HB3 ARG 17 3HB ARG 17 0.659 -17.879 4.142
153 HG2 ARG 17 2HG ARG 17 1.334 -15.352 4.087
154 HG3 ARG 17 3HG ARG 17 -0.049 -15.178 5.169
155 HD2 ARG 17 2HD ARG 17 0.901 -16.656 6.762
156 HD3 ARG 17 3HD ARG 17 2.148 -17.180 5.631
157 HE ARG 17 HE ARG 17 2.257 -14.373 6.179
158 HH11 ARG 17 1HH1 ARG 17 3.180 -17.522 7.340
159 HH12 ARG 17 2HH1 ARG 17 4.534 -16.935 8.248
160 HH21 ARG 17 1HH2 ARG 17 4.036 -13.587 7.371
161 HH22 ARG 17 2HH2 ARG 17 5.019 -14.696 8.266
162 H LEU 18 H LEU 18 0.654 -14.467 2.107
163 HA LEU 18 HA LEU 18 -1.882 -13.035 2.502
164 HB2 LEU 18 2HB LEU 18 -0.405 -12.002 3.908
165 HB3 LEU 18 3HB LEU 18 0.980 -12.324 2.866
166 HG LEU 18 HG LEU 18 0.257 -10.524 1.363
167 HD11 LEU 18 1HD1 LEU 18 -2.201 -10.834 2.622
168 HD12 LEU 18 2HD1 LEU 18 -1.760 -9.600 1.442
169 HD13 LEU 18 3HD1 LEU 18 -1.611 -9.263 3.167
170 HD21 LEU 18 3HD2 LEU 18 0.509 -9.711 4.257
171 HD22 LEU 18 1HD2 LEU 18 0.752 -8.649 2.870
172 HD23 LEU 18 2HD2 LEU 18 1.836 -10.015 3.135
173 H PHE 19 H PHE 19 0.818 -13.453 0.273
174 HA PHE 19 HA PHE 19 -0.500 -11.756 -1.708
175 HB2 PHE 19 2HB PHE 19 2.234 -12.524 -1.149
176 HB3 PHE 19 3HB PHE 19 1.829 -12.832 -2.835
177 HD1 PHE 19 HD2 PHE 19 0.688 -10.127 -0.550
178 HD2 PHE 19 HD1 PHE 19 2.874 -11.169 -4.051
179 HE1 PHE 19 HE2 PHE 19 1.006 -7.741 -1.058
180 HE2 PHE 19 HE1 PHE 19 3.195 -8.784 -4.564
181 HZ PHE 19 HZ PHE 19 2.260 -7.066 -3.067
182 H ARG 20 H ARG 20 -1.485 -14.445 -0.872
183 HA ARG 20 HA ARG 20 -0.997 -16.451 -2.696
184 HB2 ARG 20 2HB ARG 20 -3.069 -17.408 -2.056
185 HB3 ARG 20 3HB ARG 20 -2.479 -16.543 -0.644
186 HG2 ARG 20 2HG ARG 20 -3.952 -14.601 -1.559
187 HG3 ARG 20 3HG ARG 20 -4.765 -15.894 -2.443
188 HD2 ARG 20 2HD ARG 20 -4.349 -15.799 0.543
189 HD3 ARG 20 3HD ARG 20 -5.852 -15.412 -0.293
190 HE ARG 20 HE ARG 20 -4.903 -18.023 -0.943
191 HH11 ARG 20 1HH1 ARG 20 -6.605 -16.175 1.467
192 HH12 ARG 20 2HH1 ARG 20 -7.490 -17.536 2.073
193 HH21 ARG 20 1HH2 ARG 20 -6.062 -19.822 -0.154
194 HH22 ARG 20 2HH2 ARG 20 -7.180 -19.610 1.151
195 H ARG 21 H ARG 21 -2.868 -13.530 -3.094
196 HA ARG 21 HA ARG 21 -3.695 -14.399 -5.776
197 HB2 ARG 21 2HB ARG 21 -4.747 -12.353 -3.854
198 HB3 ARG 21 3HB ARG 21 -5.081 -12.191 -5.573
199 HG2 ARG 21 2HG ARG 21 -6.498 -13.959 -5.609
200 HG3 ARG 21 3HG ARG 21 -5.626 -14.824 -4.342
201 HD2 ARG 21 2HD ARG 21 -6.698 -13.691 -2.645
202 HD3 ARG 21 3HD ARG 21 -7.069 -12.302 -3.666
203 HE ARG 21 HE ARG 21 -8.706 -14.579 -3.243
204 HH11 ARG 21 1HH1 ARG 21 -7.752 -12.279 -5.676
205 HH12 ARG 21 2HH1 ARG 21 -9.226 -12.423 -6.576
206 HH21 ARG 21 1HH2 ARG 21 -10.650 -14.777 -4.419
207 HH22 ARG 21 2HH2 ARG 21 -10.874 -13.844 -5.860
Start of MODEL 5
1 H1 ARG 1 H ARG 1 0.628 -0.308 0.539
2 HA ARG 1 HA ARG 1 1.109 -0.851 -1.619
3 HB2 ARG 1 2HB ARG 1 2.979 1.519 -1.450
4 HB3 ARG 1 3HB ARG 1 2.569 0.663 -2.930
5 HG2 ARG 1 2HG ARG 1 0.205 1.288 -2.598
6 HG3 ARG 1 3HG ARG 1 0.680 2.217 -1.175
7 HD2 ARG 1 2HD ARG 1 1.091 3.954 -2.494
8 HD3 ARG 1 3HD ARG 1 2.382 3.029 -3.260
9 HE ARG 1 HE ARG 1 0.003 2.241 -4.449
10 HH11 ARG 1 1HH1 ARG 1 1.906 5.139 -4.139
11 HH12 ARG 1 2HH1 ARG 1 1.391 5.797 -5.657
12 HH21 ARG 1 1HH2 ARG 1 -0.683 3.096 -6.450
13 HH22 ARG 1 2HH2 ARG 1 -0.083 4.634 -6.970
14 H TRP 2 H TRP 2 2.283 -2.517 -2.326
15 HA TRP 2 HA TRP 2 4.849 -3.044 -1.008
16 HB2 TRP 2 2HB TRP 2 2.663 -4.678 -1.437
17 HB3 TRP 2 3HB TRP 2 3.779 -5.170 -2.708
18 HD1 TRP 2 HD1 TRP 2 6.519 -5.153 -1.317
19 HE1 TRP 2 HE1 TRP 2 7.054 -6.743 0.635
20 HE3 TRP 2 HE3 TRP 2 1.753 -6.186 0.217
21 HZ2 TRP 2 HZ2 TRP 2 5.642 -8.238 2.569
22 HZ3 TRP 2 HZ3 TRP 2 1.431 -7.706 2.125
23 HH2 TRP 2 HH2 TRP 2 3.337 -8.710 3.275
24 H SER 3 H SER 3 6.406 -2.032 -2.159
25 HA SER 3 HA SER 3 6.386 -2.167 -5.069
26 HB2 SER 3 2HB SER 3 8.612 -0.903 -3.519
27 HB3 SER 3 3HB SER 3 7.902 -0.416 -5.058
28 HG SER 3 HG SER 3 7.069 0.127 -2.455
29 H ILE 4 H ILE 4 6.801 -4.374 -5.393
30 HA ILE 4 HA ILE 4 9.534 -5.226 -4.686
31 HB ILE 4 HB ILE 4 8.640 -7.580 -4.965
32 HG12 ILE 4 2HG1 ILE 4 6.471 -6.515 -6.055
33 HG13 ILE 4 3HG1 ILE 4 6.389 -8.018 -5.143
34 HG21 ILE 4 1HG2 ILE 4 9.141 -6.640 -2.786
35 HG22 ILE 4 2HG2 ILE 4 7.548 -5.887 -2.722
36 HG23 ILE 4 3HG2 ILE 4 7.694 -7.644 -2.698
37 HD11 ILE 4 3HD1 ILE 4 5.375 -7.011 -3.332
38 HD12 ILE 4 1HD1 ILE 4 5.946 -5.403 -3.774
39 HD13 ILE 4 2HD1 ILE 4 4.652 -6.165 -4.700
40 H THR 5 H THR 5 10.547 -4.525 -6.541
41 HA THR 5 HA THR 5 9.641 -4.713 -9.153
42 HB THR 5 HB THR 5 11.542 -3.456 -9.098
43 HG1 THR 5 HG1 THR 5 13.358 -4.854 -9.878
44 HG21 THR 5 3HG2 THR 5 13.645 -4.574 -7.840
45 HG22 THR 5 1HG2 THR 5 12.324 -5.298 -6.923
46 HG23 THR 5 2HG2 THR 5 12.466 -3.543 -7.029
47 H THR 6 H THR 6 12.263 -6.809 -7.993
48 HA THR 6 HA THR 6 11.093 -8.997 -9.581
49 HB THR 6 HB THR 6 13.900 -8.147 -9.097
50 HG1 THR 6 HG1 THR 6 12.978 -9.614 -11.309
51 HG21 THR 6 3HG2 THR 6 13.054 -11.027 -9.391
52 HG22 THR 6 1HG2 THR 6 13.997 -10.317 -8.083
53 HG23 THR 6 2HG2 THR 6 14.690 -10.447 -9.699
54 H ILE 7 H ILE 7 12.370 -8.080 -6.461
55 HA ILE 7 HA ILE 7 12.741 -10.519 -5.233
56 HB ILE 7 HB ILE 7 12.989 -8.077 -4.315
57 HG12 ILE 7 2HG1 ILE 7 12.083 -10.186 -2.363
58 HG13 ILE 7 3HG1 ILE 7 13.598 -10.331 -3.246
59 HG21 ILE 7 1HG2 ILE 7 10.536 -7.654 -4.419
60 HG22 ILE 7 2HG2 ILE 7 10.326 -8.836 -3.129
61 HG23 ILE 7 3HG2 ILE 7 11.249 -7.363 -2.832
62 HD11 ILE 7 3HD1 ILE 7 13.121 -7.796 -1.805
63 HD12 ILE 7 1HD1 ILE 7 13.432 -9.235 -0.834
64 HD13 ILE 7 2HD1 ILE 7 14.611 -8.711 -2.038
65 H HIS 8 H HIS 8 9.804 -9.088 -6.309
66 HA HIS 8 HA HIS 8 7.857 -10.096 -4.684
67 HB2 HIS 8 2HB HIS 8 7.528 -8.709 -6.762
68 HB3 HIS 8 3HB HIS 8 7.703 -10.188 -7.700
69 HD1 HIS 8 HD1 HIS 8 5.165 -9.268 -8.375
70 HD2 HIS 8 HD2 HIS 8 5.682 -11.049 -4.656
71 HE1 HIS 8 HE1 HIS 8 2.862 -9.946 -7.628
72 H ASN 9 H ASN 9 9.904 -11.856 -6.887
73 HA ASN 9 HA ASN 9 8.397 -14.250 -6.991
74 HB2 ASN 9 2HB ASN 9 11.260 -13.543 -7.556
75 HB3 ASN 9 3HB ASN 9 10.750 -15.229 -7.554
76 HD21 ASN 9 1HD2 ASN 9 11.500 -15.011 -9.815
77 HD22 ASN 9 2HD2 ASN 9 10.356 -14.481 -10.996
78 H LEU 10 H LEU 10 11.124 -13.227 -4.958
79 HA LEU 10 HA LEU 10 11.297 -15.633 -3.481
80 HB2 LEU 10 2HB LEU 10 13.186 -14.238 -3.460
81 HB3 LEU 10 3HB LEU 10 12.240 -12.827 -2.989
82 HG LEU 10 HG LEU 10 11.930 -13.802 -0.752
83 HD11 LEU 10 1HD1 LEU 10 12.128 -16.174 -1.491
84 HD12 LEU 10 2HD1 LEU 10 13.086 -15.776 -0.065
85 HD13 LEU 10 3HD1 LEU 10 13.869 -15.930 -1.637
86 HD21 LEU 10 3HD2 LEU 10 13.803 -12.792 -0.092
87 HD22 LEU 10 1HD2 LEU 10 14.199 -12.616 -1.802
88 HD23 LEU 10 2HD2 LEU 10 14.822 -13.992 -0.890
89 H PHE 11 H PHE 11 9.009 -13.149 -3.458
90 HA PHE 11 HA PHE 11 8.191 -13.703 -0.698
91 HB2 PHE 11 2HB PHE 11 7.609 -11.493 -2.638
92 HB3 PHE 11 3HB PHE 11 6.498 -11.799 -1.307
93 HD1 PHE 11 HD2 PHE 11 7.192 -11.445 1.001
94 HD2 PHE 11 HD1 PHE 11 9.790 -10.573 -2.256
95 HE1 PHE 11 HE2 PHE 11 8.626 -10.125 2.502
96 HE2 PHE 11 HE1 PHE 11 11.228 -9.252 -0.760
97 HZ PHE 11 HZ PHE 11 10.646 -9.025 1.622
98 H ARG 12 H ARG 12 7.020 -13.819 -4.026
99 HA ARG 12 HA ARG 12 4.388 -14.497 -3.678
100 HB2 ARG 12 2HB ARG 12 4.394 -15.211 -5.865
101 HB3 ARG 12 3HB ARG 12 5.873 -14.261 -5.837
102 HG2 ARG 12 2HG ARG 12 7.017 -16.510 -5.262
103 HG3 ARG 12 3HG ARG 12 5.535 -17.227 -5.897
104 HD2 ARG 12 2HD ARG 12 6.454 -15.172 -7.669
105 HD3 ARG 12 3HD ARG 12 7.768 -16.299 -7.337
106 HE ARG 12 HE ARG 12 5.373 -16.820 -8.840
107 HH11 ARG 12 1HH1 ARG 12 7.949 -18.230 -6.970
108 HH12 ARG 12 2HH1 ARG 12 7.810 -19.790 -7.712
109 HH21 ARG 12 1HH2 ARG 12 5.180 -18.869 -9.825
110 HH22 ARG 12 2HH2 ARG 12 6.235 -20.151 -9.336
111 H LYS 13 H LYS 13 7.190 -16.391 -2.951
112 HA LYS 13 HA LYS 13 5.504 -18.744 -2.420
113 HB2 LYS 13 2HB LYS 13 7.643 -18.799 -3.932
114 HB3 LYS 13 3HB LYS 13 8.499 -18.824 -2.396
115 HG2 LYS 13 2HG LYS 13 6.641 -20.770 -2.007
116 HG3 LYS 13 3HG LYS 13 6.966 -20.926 -3.735
117 HD2 LYS 13 2HD LYS 13 9.476 -20.612 -2.603
118 HD3 LYS 13 3HD LYS 13 8.619 -21.647 -1.460
119 HE2 LYS 13 2HE LYS 13 9.358 -23.268 -2.860
120 HE3 LYS 13 3HE LYS 13 7.891 -22.839 -3.738
121 HZ1 LYS 13 3HZ LYS 13 9.068 -22.046 -5.439
122 HZ2 LYS 13 1HZ LYS 13 10.395 -22.855 -4.771
123 HZ3 LYS 13 2HZ LYS 13 10.152 -21.214 -4.442
124 H LEU 14 H LEU 14 7.938 -16.606 -1.022
125 HA LEU 14 HA LEU 14 8.140 -17.909 1.476
126 HB2 LEU 14 2HB LEU 14 9.850 -16.390 0.815
127 HB3 LEU 14 3HB LEU 14 8.690 -15.078 0.618
128 HG LEU 14 HG LEU 14 10.254 -15.090 2.677
129 HD11 LEU 14 1HD1 LEU 14 8.774 -13.724 3.771
130 HD12 LEU 14 2HD1 LEU 14 7.392 -14.768 3.438
131 HD13 LEU 14 3HD1 LEU 14 8.060 -13.756 2.158
132 HD21 LEU 14 3HD2 LEU 14 8.147 -16.646 4.047
133 HD22 LEU 14 1HD2 LEU 14 9.871 -16.513 4.394
134 HD23 LEU 14 2HD2 LEU 14 9.312 -17.562 3.090
135 H THR 15 H THR 15 6.263 -15.062 0.455
136 HA THR 15 HA THR 15 4.672 -15.303 2.916
137 HB THR 15 HB THR 15 5.695 -13.098 2.546
138 HG1 THR 15 HG1 THR 15 3.815 -11.960 2.957
139 HG21 THR 15 3HG2 THR 15 4.744 -11.686 0.687
140 HG22 THR 15 1HG2 THR 15 4.096 -13.170 -0.009
141 HG23 THR 15 2HG2 THR 15 5.839 -12.968 0.172
142 H HIS 16 H HIS 16 4.409 -16.913 0.398
143 HA HIS 16 HA HIS 16 2.257 -16.203 -1.170
144 HB2 HIS 16 2HB HIS 16 2.064 -18.480 -1.769
145 HB3 HIS 16 3HB HIS 16 3.763 -18.261 -1.358
146 HD1 HIS 16 HD1 HIS 16 4.216 -18.891 1.350
147 HD2 HIS 16 HD2 HIS 16 1.029 -20.686 -0.621
148 HE1 HIS 16 HE1 HIS 16 3.656 -20.937 2.701
149 H ARG 17 H ARG 17 2.285 -17.282 2.133
150 HA ARG 17 HA ARG 17 -0.400 -18.089 2.368
151 HB2 ARG 17 2HB ARG 17 1.119 -18.689 4.104
152 HB3 ARG 17 3HB ARG 17 1.572 -17.013 4.379
153 HG2 ARG 17 2HG ARG 17 -1.279 -17.514 4.730
154 HG3 ARG 17 3HG ARG 17 -0.254 -18.435 5.833
155 HD2 ARG 17 2HD ARG 17 0.326 -16.610 6.995
156 HD3 ARG 17 3HD ARG 17 0.563 -15.649 5.536
157 HE ARG 17 HE ARG 17 -2.200 -16.108 6.119
158 HH11 ARG 17 1HH1 ARG 17 0.558 -14.123 6.875
159 HH12 ARG 17 2HH1 ARG 17 -0.393 -12.765 7.378
160 HH21 ARG 17 1HH2 ARG 17 -3.464 -14.327 6.779
161 HH22 ARG 17 2HH2 ARG 17 -2.681 -12.883 7.324
162 H LEU 18 H LEU 18 1.107 -14.956 2.313
163 HA LEU 18 HA LEU 18 -1.435 -13.677 3.043
164 HB2 LEU 18 2HB LEU 18 0.134 -12.678 4.370
165 HB3 LEU 18 3HB LEU 18 1.418 -12.863 3.178
166 HG LEU 18 HG LEU 18 0.491 -10.995 1.892
167 HD11 LEU 18 1HD1 LEU 18 -1.253 -9.931 3.916
168 HD12 LEU 18 2HD1 LEU 18 -1.823 -11.507 3.368
169 HD13 LEU 18 3HD1 LEU 18 -1.560 -10.211 2.202
170 HD21 LEU 18 3HD2 LEU 18 0.928 -10.331 4.802
171 HD22 LEU 18 1HD2 LEU 18 1.083 -9.217 3.444
172 HD23 LEU 18 2HD2 LEU 18 2.196 -10.576 3.600
173 H PHE 19 H PHE 19 1.075 -13.735 0.554
174 HA PHE 19 HA PHE 19 -0.547 -12.018 -1.165
175 HB2 PHE 19 2HB PHE 19 2.238 -12.397 -0.822
176 HB3 PHE 19 3HB PHE 19 1.845 -12.945 -2.448
177 HD1 PHE 19 HD1 PHE 19 -0.081 -11.220 -3.501
178 HD2 PHE 19 HD2 PHE 19 3.066 -10.268 -0.799
179 HE1 PHE 19 HE1 PHE 19 -0.125 -8.886 -4.279
180 HE2 PHE 19 HE2 PHE 19 3.027 -7.932 -1.571
181 HZ PHE 19 HZ PHE 19 1.430 -7.238 -3.313
182 H ARG 20 H ARG 20 -1.341 -14.767 -0.498
183 HA ARG 20 HA ARG 20 -0.835 -16.639 -2.459
184 HB2 ARG 20 2HB ARG 20 -2.830 -17.737 -1.790
185 HB3 ARG 20 3HB ARG 20 -2.210 -16.932 -0.354
186 HG2 ARG 20 2HG ARG 20 -3.807 -15.031 -0.939
187 HG3 ARG 20 3HG ARG 20 -4.559 -16.174 -2.055
188 HD2 ARG 20 2HD ARG 20 -4.090 -16.930 0.802
189 HD3 ARG 20 3HD ARG 20 -5.483 -15.944 0.360
190 HE ARG 20 HE ARG 20 -5.530 -18.094 -1.351
191 HH11 ARG 20 1HH1 ARG 20 -5.601 -17.621 2.097
192 HH12 ARG 20 2HH1 ARG 20 -6.540 -19.044 2.404
193 HH21 ARG 20 1HH2 ARG 20 -6.766 -19.970 -0.960
194 HH22 ARG 20 2HH2 ARG 20 -7.201 -20.380 0.665
195 H ARG 21 H ARG 21 -2.869 -13.804 -2.595
196 HA ARG 21 HA ARG 21 -4.238 -14.527 -4.995
197 HB2 ARG 21 2HB ARG 21 -5.097 -12.280 -4.983
198 HB3 ARG 21 3HB ARG 21 -5.109 -12.887 -3.333
199 HG2 ARG 21 2HG ARG 21 -3.125 -11.619 -2.806
200 HG3 ARG 21 3HG ARG 21 -2.989 -11.085 -4.483
201 HD2 ARG 21 2HD ARG 21 -5.260 -10.459 -2.598
202 HD3 ARG 21 3HD ARG 21 -3.973 -9.350 -3.072
203 HE ARG 21 HE ARG 21 -6.298 -10.071 -4.605
204 HH11 ARG 21 1HH1 ARG 21 -3.035 -8.863 -4.738
205 HH12 ARG 21 2HH1 ARG 21 -3.256 -8.058 -6.255
206 HH21 ARG 21 1HH2 ARG 21 -6.601 -9.015 -6.603
207 HH22 ARG 21 2HH2 ARG 21 -5.286 -8.144 -7.315
Start of MODEL 6
1 H1 ARG 1 H ARG 1 1.513 -0.826 -0.647
2 HA ARG 1 HA ARG 1 2.048 0.163 -3.328
3 HB2 ARG 1 2HB ARG 1 3.062 1.590 -0.862
4 HB3 ARG 1 3HB ARG 1 3.566 1.932 -2.512
5 HG2 ARG 1 2HG ARG 1 0.713 2.149 -1.594
6 HG3 ARG 1 3HG ARG 1 1.856 3.493 -1.536
7 HD2 ARG 1 2HD ARG 1 2.156 3.406 -3.922
8 HD3 ARG 1 3HD ARG 1 1.170 1.948 -4.032
9 HE ARG 1 HE ARG 1 -0.478 3.800 -2.892
10 HH11 ARG 1 1HH1 ARG 1 1.409 3.654 -5.814
11 HH12 ARG 1 2HH1 ARG 1 0.332 4.669 -6.715
12 HH21 ARG 1 1HH2 ARG 1 -1.904 5.136 -4.068
13 HH22 ARG 1 2HH2 ARG 1 -1.552 5.512 -5.721
14 H TRP 2 H TRP 2 2.534 -2.333 -2.719
15 HA TRP 2 HA TRP 2 5.121 -2.743 -1.530
16 HB2 TRP 2 2HB TRP 2 2.921 -4.350 -1.997
17 HB3 TRP 2 3HB TRP 2 4.096 -4.935 -3.171
18 HD1 TRP 2 HD1 TRP 2 6.750 -4.915 -1.635
19 HE1 TRP 2 HE1 TRP 2 7.133 -6.399 0.433
20 HE3 TRP 2 HE3 TRP 2 1.881 -5.722 -0.304
21 HZ2 TRP 2 HZ2 TRP 2 5.576 -7.736 2.371
22 HZ3 TRP 2 HZ3 TRP 2 1.413 -7.115 1.669
23 HH2 TRP 2 HH2 TRP 2 3.223 -8.101 2.978
24 H SER 3 H SER 3 6.765 -1.833 -2.644
25 HA SER 3 HA SER 3 6.894 -2.118 -5.540
26 HB2 SER 3 2HB SER 3 8.875 -0.740 -3.717
27 HB3 SER 3 3HB SER 3 8.716 -0.548 -5.462
28 HG SER 3 HG SER 3 7.197 0.529 -3.404
29 H ILE 4 H ILE 4 7.267 -4.349 -5.729
30 HA ILE 4 HA ILE 4 9.932 -5.230 -4.828
31 HB ILE 4 HB ILE 4 8.993 -7.571 -5.049
32 HG12 ILE 4 2HG1 ILE 4 6.922 -6.508 -6.316
33 HG13 ILE 4 3HG1 ILE 4 6.746 -7.964 -5.342
34 HG21 ILE 4 1HG2 ILE 4 9.388 -6.539 -2.889
35 HG22 ILE 4 2HG2 ILE 4 7.815 -5.746 -2.958
36 HG23 ILE 4 3HG2 ILE 4 7.913 -7.503 -2.842
37 HD11 ILE 4 3HD1 ILE 4 5.036 -6.050 -5.093
38 HD12 ILE 4 1HD1 ILE 4 5.650 -6.850 -3.647
39 HD13 ILE 4 2HD1 ILE 4 6.291 -5.278 -4.125
40 H THR 5 H THR 5 11.069 -4.641 -6.650
41 HA THR 5 HA THR 5 10.310 -4.936 -9.300
42 HB THR 5 HB THR 5 12.233 -3.717 -9.192
43 HG1 THR 5 HG1 THR 5 12.931 -5.099 -10.707
44 HG21 THR 5 3HG2 THR 5 14.233 -4.815 -7.761
45 HG22 THR 5 1HG2 THR 5 12.845 -5.466 -6.891
46 HG23 THR 5 2HG2 THR 5 13.033 -3.722 -7.071
47 H THR 6 H THR 6 12.813 -7.025 -7.892
48 HA THR 6 HA THR 6 11.689 -9.262 -9.443
49 HB THR 6 HB THR 6 14.480 -8.452 -8.817
50 HG1 THR 6 HG1 THR 6 13.260 -8.415 -10.936
51 HG21 THR 6 3HG2 THR 6 13.584 -11.324 -9.040
52 HG22 THR 6 1HG2 THR 6 14.453 -10.575 -7.701
53 HG23 THR 6 2HG2 THR 6 15.251 -10.793 -9.259
54 H ILE 7 H ILE 7 12.793 -8.227 -6.294
55 HA ILE 7 HA ILE 7 13.019 -10.615 -4.935
56 HB ILE 7 HB ILE 7 13.281 -8.140 -4.114
57 HG12 ILE 7 2HG1 ILE 7 12.192 -10.132 -2.132
58 HG13 ILE 7 3HG1 ILE 7 13.758 -10.352 -2.905
59 HG21 ILE 7 1HG2 ILE 7 10.855 -7.654 -4.394
60 HG22 ILE 7 2HG2 ILE 7 10.527 -8.771 -3.070
61 HG23 ILE 7 3HG2 ILE 7 11.473 -7.311 -2.778
62 HD11 ILE 7 3HD1 ILE 7 14.737 -8.877 -1.563
63 HD12 ILE 7 1HD1 ILE 7 13.432 -7.707 -1.751
64 HD13 ILE 7 2HD1 ILE 7 13.288 -9.007 -0.568
65 H HIS 8 H HIS 8 10.196 -9.162 -6.256
66 HA HIS 8 HA HIS 8 8.124 -10.041 -4.712
67 HB2 HIS 8 2HB HIS 8 7.962 -8.748 -6.868
68 HB3 HIS 8 3HB HIS 8 8.157 -10.274 -7.725
69 HD1 HIS 8 HD1 HIS 8 5.692 -9.331 -8.603
70 HD2 HIS 8 HD2 HIS 8 5.926 -10.942 -4.781
71 HE1 HIS 8 HE1 HIS 8 3.329 -9.919 -7.975
72 H ASN 9 H ASN 9 10.251 -11.957 -6.701
73 HA ASN 9 HA ASN 9 8.688 -14.314 -6.787
74 HB2 ASN 9 2HB ASN 9 11.612 -13.732 -7.177
75 HB3 ASN 9 3HB ASN 9 11.017 -15.390 -7.177
76 HD21 ASN 9 1HD2 ASN 9 10.437 -16.184 -9.059
77 HD22 ASN 9 2HD2 ASN 9 9.990 -15.270 -10.456
78 H LEU 10 H LEU 10 11.313 -13.265 -4.635
79 HA LEU 10 HA LEU 10 11.327 -15.600 -3.041
80 HB2 LEU 10 2HB LEU 10 13.246 -14.251 -2.959
81 HB3 LEU 10 3HB LEU 10 12.310 -12.797 -2.620
82 HG LEU 10 HG LEU 10 11.836 -13.639 -0.364
83 HD11 LEU 10 1HD1 LEU 10 12.880 -15.614 0.494
84 HD12 LEU 10 2HD1 LEU 10 13.733 -15.884 -1.025
85 HD13 LEU 10 3HD1 LEU 10 11.978 -16.050 -0.958
86 HD21 LEU 10 3HD2 LEU 10 13.944 -12.311 -1.049
87 HD22 LEU 10 1HD2 LEU 10 14.797 -13.827 -0.760
88 HD23 LEU 10 2HD2 LEU 10 13.891 -13.062 0.546
89 H PHE 11 H PHE 11 9.111 -13.059 -3.275
90 HA PHE 11 HA PHE 11 8.104 -13.464 -0.553
91 HB2 PHE 11 2HB PHE 11 7.695 -11.340 -2.629
92 HB3 PHE 11 3HB PHE 11 6.503 -11.555 -1.352
93 HD1 PHE 11 HD1 PHE 11 7.087 -11.123 0.979
94 HD2 PHE 11 HD2 PHE 11 9.860 -10.429 -2.175
95 HE1 PHE 11 HE1 PHE 11 8.466 -9.761 2.495
96 HE2 PHE 11 HE2 PHE 11 11.243 -9.067 -0.664
97 HZ PHE 11 HZ PHE 11 10.547 -8.731 1.675
98 H ARG 12 H ARG 12 7.142 -13.715 -3.940
99 HA ARG 12 HA ARG 12 4.477 -14.317 -3.731
100 HB2 ARG 12 2HB ARG 12 4.603 -15.136 -5.877
101 HB3 ARG 12 3HB ARG 12 6.103 -14.221 -5.798
102 HG2 ARG 12 2HG ARG 12 7.145 -16.469 -5.042
103 HG3 ARG 12 3HG ARG 12 5.688 -17.177 -5.742
104 HD2 ARG 12 2HD ARG 12 6.908 -15.194 -7.480
105 HD3 ARG 12 3HD ARG 12 8.010 -16.515 -7.092
106 HE ARG 12 HE ARG 12 5.701 -16.639 -8.771
107 HH11 ARG 12 1HH1 ARG 12 7.716 -18.478 -6.609
108 HH12 ARG 12 2HH1 ARG 12 7.326 -20.003 -7.333
109 HH21 ARG 12 1HH2 ARG 12 5.180 -18.641 -9.733
110 HH22 ARG 12 2HH2 ARG 12 5.884 -20.094 -9.111
111 H LYS 13 H LYS 13 7.179 -16.237 -2.739
112 HA LYS 13 HA LYS 13 5.404 -18.522 -2.206
113 HB2 LYS 13 2HB LYS 13 7.644 -18.687 -3.567
114 HB3 LYS 13 3HB LYS 13 8.385 -18.678 -1.972
115 HG2 LYS 13 2HG LYS 13 6.481 -20.559 -1.617
116 HG3 LYS 13 3HG LYS 13 6.840 -20.775 -3.331
117 HD2 LYS 13 2HD LYS 13 8.882 -21.625 -2.918
118 HD3 LYS 13 3HD LYS 13 9.205 -20.472 -1.622
119 HE2 LYS 13 2HE LYS 13 8.246 -21.810 -0.013
120 HE3 LYS 13 3HE LYS 13 7.212 -22.644 -1.171
121 HZ1 LYS 13 3HZ LYS 13 10.109 -23.049 -0.704
122 HZ2 LYS 13 1HZ LYS 13 9.314 -23.654 -2.069
123 HZ3 LYS 13 2HZ LYS 13 8.858 -24.174 -0.526
124 H LEU 14 H LEU 14 7.799 -16.375 -0.755
125 HA LEU 14 HA LEU 14 7.807 -17.558 1.809
126 HB2 LEU 14 2HB LEU 14 9.594 -16.111 1.192
127 HB3 LEU 14 3HB LEU 14 8.482 -14.786 0.855
128 HG LEU 14 HG LEU 14 9.908 -14.729 3.011
129 HD11 LEU 14 1HD1 LEU 14 7.012 -14.307 3.566
130 HD12 LEU 14 2HD1 LEU 14 7.786 -13.376 2.283
131 HD13 LEU 14 3HD1 LEU 14 8.396 -13.277 3.935
132 HD21 LEU 14 3HD2 LEU 14 9.380 -16.056 4.765
133 HD22 LEU 14 1HD2 LEU 14 8.878 -17.155 3.480
134 HD23 LEU 14 2HD2 LEU 14 7.678 -16.167 4.313
135 H THR 15 H THR 15 6.072 -14.723 0.536
136 HA THR 15 HA THR 15 4.318 -14.814 2.895
137 HB THR 15 HB THR 15 5.423 -12.653 2.502
138 HG1 THR 15 HG1 THR 15 3.275 -12.722 3.388
139 HG21 THR 15 3HG2 THR 15 4.646 -11.300 0.527
140 HG22 THR 15 1HG2 THR 15 3.987 -12.790 -0.147
141 HG23 THR 15 2HG2 THR 15 5.722 -12.640 0.134
142 H HIS 16 H HIS 16 4.170 -16.536 0.451
143 HA HIS 16 HA HIS 16 2.156 -15.845 -1.297
144 HB2 HIS 16 2HB HIS 16 1.929 -18.144 -1.795
145 HB3 HIS 16 3HB HIS 16 3.602 -17.952 -1.281
146 HD1 HIS 16 HD1 HIS 16 0.939 -20.197 -0.873
147 HD2 HIS 16 HD2 HIS 16 3.682 -18.508 1.751
148 HE1 HIS 16 HE1 HIS 16 0.970 -21.711 1.135
149 H ARG 17 H ARG 17 1.924 -16.738 2.050
150 HA ARG 17 HA ARG 17 -0.795 -17.462 2.139
151 HB2 ARG 17 2HB ARG 17 1.119 -16.390 4.197
152 HB3 ARG 17 3HB ARG 17 -0.565 -16.707 4.591
153 HG2 ARG 17 2HG ARG 17 -0.113 -18.847 4.905
154 HG3 ARG 17 3HG ARG 17 0.503 -18.984 3.257
155 HD2 ARG 17 2HD ARG 17 2.368 -19.581 4.442
156 HD3 ARG 17 3HD ARG 17 2.625 -17.842 4.305
157 HE ARG 17 HE ARG 17 1.219 -18.220 6.646
158 HH11 ARG 17 1HH1 ARG 17 4.276 -19.237 5.327
159 HH12 ARG 17 2HH1 ARG 17 5.056 -19.341 6.870
160 HH21 ARG 17 1HH2 ARG 17 2.234 -18.353 8.684
161 HH22 ARG 17 2HH2 ARG 17 3.893 -18.839 8.780
162 H LEU 18 H LEU 18 0.806 -14.380 2.014
163 HA LEU 18 HA LEU 18 -1.742 -12.997 2.490
164 HB2 LEU 18 2HB LEU 18 -0.252 -11.975 3.890
165 HB3 LEU 18 3HB LEU 18 1.115 -12.253 2.813
166 HG LEU 18 HG LEU 18 0.339 -10.429 1.368
167 HD11 LEU 18 1HD1 LEU 18 -1.694 -9.547 1.503
168 HD12 LEU 18 2HD1 LEU 18 -1.512 -9.233 3.228
169 HD13 LEU 18 3HD1 LEU 18 -2.090 -10.804 2.674
170 HD21 LEU 18 3HD2 LEU 18 0.623 -9.669 4.274
171 HD22 LEU 18 1HD2 LEU 18 0.843 -8.584 2.901
172 HD23 LEU 18 2HD2 LEU 18 1.941 -9.945 3.133
173 H PHE 19 H PHE 19 0.900 -13.351 0.188
174 HA PHE 19 HA PHE 19 -0.461 -11.604 -1.718
175 HB2 PHE 19 2HB PHE 19 2.280 -12.382 -1.242
176 HB3 PHE 19 3HB PHE 19 1.837 -12.686 -2.919
177 HD1 PHE 19 HD1 PHE 19 0.735 -9.986 -0.612
178 HD2 PHE 19 HD2 PHE 19 2.869 -11.020 -4.147
179 HE1 PHE 19 HE1 PHE 19 1.042 -7.598 -1.121
180 HE2 PHE 19 HE2 PHE 19 3.181 -8.634 -4.661
181 HZ PHE 19 HZ PHE 19 2.268 -6.920 -3.146
182 H ARG 20 H ARG 20 -1.426 -14.317 -0.912
183 HA ARG 20 HA ARG 20 -1.004 -16.269 -2.815
184 HB2 ARG 20 2HB ARG 20 -3.049 -17.252 -2.120
185 HB3 ARG 20 3HB ARG 20 -2.391 -16.438 -0.706
186 HG2 ARG 20 2HG ARG 20 -3.901 -14.467 -1.451
187 HG3 ARG 20 3HG ARG 20 -4.748 -15.704 -2.383
188 HD2 ARG 20 2HD ARG 20 -4.219 -16.576 0.325
189 HD3 ARG 20 3HD ARG 20 -5.136 -15.071 0.295
190 HE ARG 20 HE ARG 20 -6.080 -17.664 -0.417
191 HH11 ARG 20 1HH1 ARG 20 -6.415 -14.272 -1.125
192 HH12 ARG 20 2HH1 ARG 20 -8.044 -14.418 -1.696
193 HH21 ARG 20 1HH2 ARG 20 -8.225 -17.870 -1.167
194 HH22 ARG 20 2HH2 ARG 20 -9.073 -16.465 -1.719
195 H ARG 21 H ARG 21 -2.908 -13.349 -3.038
196 HA ARG 21 HA ARG 21 -4.260 -14.099 -5.454
197 HB2 ARG 21 2HB ARG 21 -3.959 -11.500 -3.960
198 HB3 ARG 21 3HB ARG 21 -4.791 -11.594 -5.506
199 HG2 ARG 21 2HG ARG 21 -6.427 -13.101 -4.595
200 HG3 ARG 21 3HG ARG 21 -5.545 -13.190 -3.069
201 HD2 ARG 21 2HD ARG 21 -5.979 -10.862 -2.628
202 HD3 ARG 21 3HD ARG 21 -6.718 -10.661 -4.216
203 HE ARG 21 HE ARG 21 -7.971 -11.659 -1.865
204 HH11 ARG 21 1HH1 ARG 21 -7.910 -11.966 -5.332
205 HH12 ARG 21 2HH1 ARG 21 -9.551 -12.509 -5.444
206 HH21 ARG 21 1HH2 ARG 21 -10.133 -12.374 -1.998
207 HH22 ARG 21 2HH2 ARG 21 -10.815 -12.741 -3.547
Start of MODEL 7
1 H1 ARG 1 H ARG 1 2.280 1.508 -0.377
2 HA ARG 1 HA ARG 1 1.190 -0.515 -0.960
3 HB2 ARG 1 2HB ARG 1 1.034 -1.245 -3.268
4 HB3 ARG 1 3HB ARG 1 0.438 0.404 -3.126
5 HG2 ARG 1 2HG ARG 1 2.888 1.029 -3.794
6 HG3 ARG 1 3HG ARG 1 2.908 -0.613 -4.438
7 HD2 ARG 1 2HD ARG 1 0.672 1.271 -5.091
8 HD3 ARG 1 3HD ARG 1 2.191 1.330 -5.983
9 HE ARG 1 HE ARG 1 0.148 -0.686 -6.166
10 HH11 ARG 1 1HH1 ARG 1 3.518 0.039 -6.657
11 HH12 ARG 1 2HH1 ARG 1 3.748 -1.207 -7.838
12 HH21 ARG 1 1HH2 ARG 1 0.439 -2.330 -7.720
13 HH22 ARG 1 2HH2 ARG 1 1.996 -2.553 -8.443
14 H TRP 2 H TRP 2 2.150 -2.631 -1.973
15 HA TRP 2 HA TRP 2 4.750 -2.941 -0.842
16 HB2 TRP 2 2HB TRP 2 2.644 -4.636 -1.412
17 HB3 TRP 2 3HB TRP 2 3.864 -5.112 -2.590
18 HD1 TRP 2 HD1 TRP 2 6.492 -5.022 -1.010
19 HE1 TRP 2 HE1 TRP 2 6.920 -6.572 1.000
20 HE3 TRP 2 HE3 TRP 2 1.651 -6.130 0.204
21 HZ2 TRP 2 HZ2 TRP 2 5.405 -8.066 2.855
22 HZ3 TRP 2 HZ3 TRP 2 1.227 -7.628 2.110
23 HH2 TRP 2 HH2 TRP 2 3.066 -8.575 3.406
24 H SER 3 H SER 3 6.271 -1.761 -1.933
25 HA SER 3 HA SER 3 6.477 -1.787 -4.791
26 HB2 SER 3 2HB SER 3 8.793 -0.716 -4.172
27 HB3 SER 3 3HB SER 3 7.306 0.190 -3.899
28 HG SER 3 HG SER 3 7.515 -0.062 -1.783
29 H ILE 4 H ILE 4 6.616 -4.037 -5.240
30 HA ILE 4 HA ILE 4 9.269 -5.187 -4.665
31 HB ILE 4 HB ILE 4 8.231 -7.427 -4.850
32 HG12 ILE 4 2HG1 ILE 4 5.875 -5.773 -5.478
33 HG13 ILE 4 3HG1 ILE 4 6.250 -7.427 -5.951
34 HG21 ILE 4 1HG2 ILE 4 8.576 -6.211 -2.674
35 HG22 ILE 4 2HG2 ILE 4 6.867 -5.786 -2.729
36 HG23 ILE 4 3HG2 ILE 4 7.351 -7.479 -2.647
37 HD11 ILE 4 3HD1 ILE 4 4.295 -7.477 -4.611
38 HD12 ILE 4 1HD1 ILE 4 5.614 -8.137 -3.645
39 HD13 ILE 4 2HD1 ILE 4 5.052 -6.489 -3.361
40 H THR 5 H THR 5 10.283 -4.575 -6.537
41 HA THR 5 HA THR 5 9.052 -4.981 -9.114
42 HB THR 5 HB THR 5 10.548 -3.078 -8.800
43 HG1 THR 5 HG1 THR 5 10.463 -4.483 -10.845
44 HG21 THR 5 3HG2 THR 5 12.753 -3.211 -8.148
45 HG22 THR 5 1HG2 THR 5 12.928 -4.878 -8.695
46 HG23 THR 5 2HG2 THR 5 12.053 -4.526 -7.204
47 H THR 6 H THR 6 11.717 -6.433 -7.276
48 HA THR 6 HA THR 6 11.605 -8.741 -9.107
49 HB THR 6 HB THR 6 13.953 -7.281 -8.000
50 HG1 THR 6 HG1 THR 6 13.486 -8.742 -10.406
51 HG21 THR 6 3HG2 THR 6 13.932 -10.256 -8.524
52 HG22 THR 6 1HG2 THR 6 14.213 -9.469 -6.971
53 HG23 THR 6 2HG2 THR 6 15.378 -9.276 -8.281
54 H ILE 7 H ILE 7 12.138 -7.628 -5.802
55 HA ILE 7 HA ILE 7 12.582 -10.055 -4.535
56 HB ILE 7 HB ILE 7 12.402 -7.532 -3.645
57 HG12 ILE 7 2HG1 ILE 7 11.846 -9.797 -1.743
58 HG13 ILE 7 3HG1 ILE 7 13.379 -9.683 -2.600
59 HG21 ILE 7 1HG2 ILE 7 9.904 -7.629 -3.844
60 HG22 ILE 7 2HG2 ILE 7 9.913 -8.814 -2.539
61 HG23 ILE 7 3HG2 ILE 7 10.506 -7.178 -2.248
62 HD11 ILE 7 3HD1 ILE 7 13.661 -8.723 -0.447
63 HD12 ILE 7 1HD1 ILE 7 13.663 -7.408 -1.622
64 HD13 ILE 7 2HD1 ILE 7 12.228 -7.715 -0.644
65 H HIS 8 H HIS 8 9.725 -8.872 -6.016
66 HA HIS 8 HA HIS 8 7.674 -10.059 -4.624
67 HB2 HIS 8 2HB HIS 8 7.616 -8.629 -6.780
68 HB3 HIS 8 3HB HIS 8 7.756 -10.166 -7.628
69 HD1 HIS 8 HD1 HIS 8 5.264 -8.692 -8.202
70 HD2 HIS 8 HD2 HIS 8 5.592 -11.221 -4.923
71 HE1 HIS 8 HE1 HIS 8 2.905 -9.329 -7.606
72 H ASN 9 H ASN 9 10.160 -11.572 -6.494
73 HA ASN 9 HA ASN 9 8.835 -14.076 -6.866
74 HB2 ASN 9 2HB ASN 9 11.708 -13.192 -7.105
75 HB3 ASN 9 3HB ASN 9 11.227 -14.870 -7.342
76 HD21 ASN 9 1HD2 ASN 9 11.719 -11.943 -8.823
77 HD22 ASN 9 2HD2 ASN 9 10.873 -12.239 -10.301
78 H LEU 10 H LEU 10 11.328 -12.915 -4.612
79 HA LEU 10 HA LEU 10 11.513 -15.354 -3.171
80 HB2 LEU 10 2HB LEU 10 13.360 -13.908 -3.036
81 HB3 LEU 10 3HB LEU 10 12.353 -12.530 -2.596
82 HG LEU 10 HG LEU 10 11.958 -13.539 -0.391
83 HD11 LEU 10 1HD1 LEU 10 13.106 -15.500 0.330
84 HD12 LEU 10 2HD1 LEU 10 13.988 -15.614 -1.193
85 HD13 LEU 10 3HD1 LEU 10 12.247 -15.897 -1.158
86 HD21 LEU 10 3HD2 LEU 10 14.879 -13.314 -1.111
87 HD22 LEU 10 1HD2 LEU 10 14.191 -13.180 0.508
88 HD23 LEU 10 2HD2 LEU 10 13.809 -11.968 -0.716
89 H PHE 11 H PHE 11 9.180 -12.902 -3.226
90 HA PHE 11 HA PHE 11 8.219 -13.539 -0.530
91 HB2 PHE 11 2HB PHE 11 7.782 -11.267 -2.420
92 HB3 PHE 11 3HB PHE 11 6.520 -11.641 -1.251
93 HD1 PHE 11 HD2 PHE 11 10.134 -10.853 -1.537
94 HD2 PHE 11 HD1 PHE 11 6.674 -10.880 0.942
95 HE1 PHE 11 HE2 PHE 11 11.360 -9.589 0.181
96 HE2 PHE 11 HE1 PHE 11 7.894 -9.615 2.664
97 HZ PHE 11 HZ PHE 11 10.241 -8.969 2.286
98 H ARG 12 H ARG 12 7.228 -13.570 -3.919
99 HA ARG 12 HA ARG 12 4.594 -14.285 -3.744
100 HB2 ARG 12 2HB ARG 12 5.473 -13.932 -5.902
101 HB3 ARG 12 3HB ARG 12 6.739 -15.132 -5.674
102 HG2 ARG 12 2HG ARG 12 4.977 -15.889 -7.205
103 HG3 ARG 12 3HG ARG 12 5.123 -16.919 -5.780
104 HD2 ARG 12 2HD ARG 12 3.253 -15.529 -4.770
105 HD3 ARG 12 3HD ARG 12 3.015 -14.862 -6.385
106 HE ARG 12 HE ARG 12 2.264 -17.476 -5.462
107 HH11 ARG 12 1HH1 ARG 12 3.094 -15.556 -8.246
108 HH12 ARG 12 2HH1 ARG 12 2.252 -16.577 -9.364
109 HH21 ARG 12 1HH2 ARG 12 1.151 -18.827 -6.924
110 HH22 ARG 12 2HH2 ARG 12 1.146 -18.436 -8.611
111 H LYS 13 H LYS 13 7.372 -16.188 -2.923
112 HA LYS 13 HA LYS 13 5.672 -18.556 -2.522
113 HB2 LYS 13 2HB LYS 13 7.944 -18.512 -3.888
114 HB3 LYS 13 3HB LYS 13 8.645 -18.679 -2.284
115 HG2 LYS 13 2HG LYS 13 6.946 -20.640 -2.049
116 HG3 LYS 13 3HG LYS 13 6.937 -20.585 -3.814
117 HD2 LYS 13 2HD LYS 13 9.010 -21.446 -3.971
118 HD3 LYS 13 3HD LYS 13 9.610 -20.504 -2.604
119 HE2 LYS 13 2HE LYS 13 8.872 -22.077 -1.046
120 HE3 LYS 13 3HE LYS 13 7.758 -22.824 -2.189
121 HZ1 LYS 13 3HZ LYS 13 9.769 -24.159 -1.748
122 HZ2 LYS 13 1HZ LYS 13 10.714 -22.932 -2.429
123 HZ3 LYS 13 2HZ LYS 13 9.589 -23.760 -3.382
124 H LEU 14 H LEU 14 8.013 -16.436 -0.947
125 HA LEU 14 HA LEU 14 8.086 -17.789 1.531
126 HB2 LEU 14 2HB LEU 14 9.815 -16.239 0.988
127 HB3 LEU 14 3HB LEU 14 8.653 -14.932 0.773
128 HG LEU 14 HG LEU 14 10.117 -14.995 2.904
129 HD11 LEU 14 1HD1 LEU 14 7.218 -14.707 3.528
130 HD12 LEU 14 2HD1 LEU 14 7.947 -13.654 2.316
131 HD13 LEU 14 3HD1 LEU 14 8.576 -13.668 3.963
132 HD21 LEU 14 3HD2 LEU 14 7.951 -16.604 4.116
133 HD22 LEU 14 1HD2 LEU 14 9.650 -16.462 4.565
134 HD23 LEU 14 2HD2 LEU 14 9.181 -17.481 3.204
135 H THR 15 H THR 15 6.249 -14.929 0.472
136 HA THR 15 HA THR 15 4.534 -15.221 2.841
137 HB THR 15 HB THR 15 5.539 -12.999 2.536
138 HG1 THR 15 HG1 THR 15 3.510 -13.036 3.510
139 HG21 THR 15 3HG2 THR 15 4.637 -11.592 0.634
140 HG22 THR 15 1HG2 THR 15 4.092 -13.097 -0.105
141 HG23 THR 15 2HG2 THR 15 5.811 -12.828 0.184
142 H HIS 16 H HIS 16 4.421 -16.812 0.296
143 HA HIS 16 HA HIS 16 2.333 -16.123 -1.364
144 HB2 HIS 16 2HB HIS 16 3.872 -18.142 -1.529
145 HB3 HIS 16 3HB HIS 16 2.795 -18.941 -0.388
146 HD1 HIS 16 HD1 HIS 16 1.017 -16.786 -2.747
147 HD2 HIS 16 HD2 HIS 16 2.316 -20.731 -2.626
148 HE1 HIS 16 HE1 HIS 16 -0.253 -17.969 -4.567
149 H ARG 17 H ARG 17 2.226 -17.253 1.922
150 HA ARG 17 HA ARG 17 -0.452 -18.106 2.022
151 HB2 ARG 17 2HB ARG 17 -0.262 -17.810 4.451
152 HB3 ARG 17 3HB ARG 17 1.150 -18.625 3.791
153 HG2 ARG 17 2HG ARG 17 2.314 -16.403 3.796
154 HG3 ARG 17 3HG ARG 17 0.934 -15.767 4.694
155 HD2 ARG 17 2HD ARG 17 1.821 -18.199 5.909
156 HD3 ARG 17 3HD ARG 17 3.197 -17.118 5.698
157 HE ARG 17 HE ARG 17 1.062 -15.657 6.776
158 HH11 ARG 17 1HH1 ARG 17 3.275 -18.194 7.663
159 HH12 ARG 17 2HH1 ARG 17 3.247 -17.806 9.351
160 HH21 ARG 17 1HH2 ARG 17 1.017 -15.137 8.996
161 HH22 ARG 17 2HH2 ARG 17 1.962 -16.068 10.108
162 H LEU 18 H LEU 18 1.000 -14.944 2.090
163 HA LEU 18 HA LEU 18 -1.592 -13.718 2.719
164 HB2 LEU 18 2HB LEU 18 -0.090 -12.702 4.110
165 HB3 LEU 18 3HB LEU 18 1.239 -12.853 2.963
166 HG LEU 18 HG LEU 18 0.312 -10.994 1.657
167 HD11 LEU 18 1HD1 LEU 18 -1.751 -10.221 1.929
168 HD12 LEU 18 2HD1 LEU 18 -1.504 -9.993 3.660
169 HD13 LEU 18 3HD1 LEU 18 -2.033 -11.558 3.044
170 HD21 LEU 18 3HD2 LEU 18 1.971 -10.467 3.309
171 HD22 LEU 18 1HD2 LEU 18 0.757 -10.447 4.588
172 HD23 LEU 18 2HD2 LEU 18 0.736 -9.208 3.332
173 H PHE 19 H PHE 19 0.905 -13.913 0.264
174 HA PHE 19 HA PHE 19 -0.566 -12.074 -1.467
175 HB2 PHE 19 2HB PHE 19 2.202 -12.885 -1.206
176 HB3 PHE 19 3HB PHE 19 1.649 -13.062 -2.868
177 HD1 PHE 19 HD2 PHE 19 0.702 -10.538 -0.308
178 HD2 PHE 19 HD1 PHE 19 2.627 -11.312 -4.025
179 HE1 PHE 19 HE2 PHE 19 0.993 -8.120 -0.658
180 HE2 PHE 19 HE1 PHE 19 2.921 -8.896 -4.380
181 HZ PHE 19 HZ PHE 19 2.103 -7.296 -2.696
182 H ARG 20 H ARG 20 -1.443 -14.853 -0.735
183 HA ARG 20 HA ARG 20 -1.135 -16.675 -2.790
184 HB2 ARG 20 2HB ARG 20 -3.163 -17.714 -2.024
185 HB3 ARG 20 3HB ARG 20 -2.296 -17.098 -0.624
186 HG2 ARG 20 2HG ARG 20 -3.851 -14.996 -1.057
187 HG3 ARG 20 3HG ARG 20 -4.872 -16.230 -1.796
188 HD2 ARG 20 2HD ARG 20 -3.766 -16.293 1.010
189 HD3 ARG 20 3HD ARG 20 -5.426 -15.898 0.564
190 HE ARG 20 HE ARG 20 -4.305 -18.499 0.830
191 HH11 ARG 20 1HH1 ARG 20 -6.624 -16.641 -0.985
192 HH12 ARG 20 2HH1 ARG 20 -7.618 -18.008 -1.363
193 HH21 ARG 20 1HH2 ARG 20 -5.607 -20.307 0.338
194 HH22 ARG 20 2HH2 ARG 20 -7.040 -20.092 -0.610
195 H ARG 21 H ARG 21 -3.086 -13.788 -2.665
196 HA ARG 21 HA ARG 21 -4.912 -14.230 -4.689
197 HB2 ARG 21 2HB ARG 21 -5.005 -11.819 -4.968
198 HB3 ARG 21 3HB ARG 21 -4.876 -12.219 -3.261
199 HG2 ARG 21 2HG ARG 21 -2.533 -11.647 -3.259
200 HG3 ARG 21 3HG ARG 21 -2.574 -11.359 -5.000
201 HD2 ARG 21 2HD ARG 21 -4.620 -9.778 -3.994
202 HD3 ARG 21 3HD ARG 21 -3.324 -9.614 -2.809
203 HE ARG 21 HE ARG 21 -2.129 -9.292 -5.265
204 HH11 ARG 21 1HH1 ARG 21 -4.675 -7.731 -3.476
205 HH12 ARG 21 2HH1 ARG 21 -4.396 -6.175 -4.184
206 HH21 ARG 21 1HH2 ARG 21 -1.751 -7.248 -6.204
207 HH22 ARG 21 2HH2 ARG 21 -2.734 -5.901 -5.736
Start of MODEL 8
1 H1 ARG 1 H ARG 1 0.652 -1.289 -0.210
2 HA ARG 1 HA ARG 1 1.088 -0.982 -3.097
3 HB2 ARG 1 2HB ARG 1 1.958 0.963 -0.954
4 HB3 ARG 1 3HB ARG 1 2.553 0.990 -2.609
5 HG2 ARG 1 2HG ARG 1 -0.083 1.043 -3.087
6 HG3 ARG 1 3HG ARG 1 -0.047 1.840 -1.512
7 HD2 ARG 1 2HD ARG 1 0.195 3.616 -2.976
8 HD3 ARG 1 3HD ARG 1 1.864 3.250 -2.543
9 HE ARG 1 HE ARG 1 1.019 1.854 -4.887
10 HH11 ARG 1 1HH1 ARG 1 2.183 4.911 -3.697
11 HH12 ARG 1 2HH1 ARG 1 2.871 5.388 -5.214
12 HH21 ARG 1 1HH2 ARG 1 1.921 2.470 -6.889
13 HH22 ARG 1 2HH2 ARG 1 2.720 3.999 -7.030
14 H TRP 2 H TRP 2 2.092 -3.032 -3.034
15 HA TRP 2 HA TRP 2 4.577 -3.204 -1.479
16 HB2 TRP 2 2HB TRP 2 2.567 -5.047 -1.811
17 HB3 TRP 2 3HB TRP 2 3.758 -5.581 -2.994
18 HD1 TRP 2 HD1 TRP 2 6.441 -5.224 -1.547
19 HE1 TRP 2 HE1 TRP 2 7.023 -6.557 0.577
20 HE3 TRP 2 HE3 TRP 2 1.712 -6.427 -0.022
21 HZ2 TRP 2 HZ2 TRP 2 5.658 -7.935 2.627
22 HZ3 TRP 2 HZ3 TRP 2 1.437 -7.755 2.030
23 HH2 TRP 2 HH2 TRP 2 3.370 -8.493 3.326
24 H SER 3 H SER 3 6.027 -2.064 -2.705
25 HA SER 3 HA SER 3 6.232 -2.385 -5.543
26 HB2 SER 3 2HB SER 3 8.299 -1.184 -3.692
27 HB3 SER 3 3HB SER 3 8.092 -0.874 -5.416
28 HG SER 3 HG SER 3 7.107 0.561 -3.556
29 H ILE 4 H ILE 4 6.509 -4.628 -5.827
30 HA ILE 4 HA ILE 4 9.190 -5.611 -5.093
31 HB ILE 4 HB ILE 4 8.252 -7.903 -5.135
32 HG12 ILE 4 2HG1 ILE 4 5.876 -6.422 -6.004
33 HG13 ILE 4 3HG1 ILE 4 6.294 -8.115 -6.238
34 HG21 ILE 4 1HG2 ILE 4 8.491 -6.534 -3.047
35 HG22 ILE 4 2HG2 ILE 4 6.775 -6.153 -3.182
36 HG23 ILE 4 3HG2 ILE 4 7.292 -7.824 -2.959
37 HD11 ILE 4 3HD1 ILE 4 4.286 -8.010 -4.971
38 HD12 ILE 4 1HD1 ILE 4 5.577 -8.538 -3.892
39 HD13 ILE 4 2HD1 ILE 4 4.999 -6.872 -3.829
40 H THR 5 H THR 5 10.252 -5.129 -6.968
41 HA THR 5 HA THR 5 9.114 -5.783 -9.543
42 HB THR 5 HB THR 5 10.508 -3.785 -9.333
43 HG1 THR 5 HG1 THR 5 10.490 -4.950 -11.340
44 HG21 THR 5 3HG2 THR 5 12.705 -3.767 -8.634
45 HG22 THR 5 1HG2 THR 5 12.962 -5.463 -9.041
46 HG23 THR 5 2HG2 THR 5 12.038 -5.031 -7.602
47 H THR 6 H THR 6 11.777 -6.952 -7.513
48 HA THR 6 HA THR 6 11.855 -9.389 -9.171
49 HB THR 6 HB THR 6 14.075 -7.747 -8.051
50 HG1 THR 6 HG1 THR 6 14.978 -8.329 -10.062
51 HG21 THR 6 3HG2 THR 6 14.225 -10.744 -8.400
52 HG22 THR 6 1HG2 THR 6 14.367 -9.864 -6.878
53 HG23 THR 6 2HG2 THR 6 15.602 -9.678 -8.124
54 H ILE 7 H ILE 7 12.181 -8.029 -5.930
55 HA ILE 7 HA ILE 7 12.652 -10.355 -4.487
56 HB ILE 7 HB ILE 7 12.363 -7.780 -3.780
57 HG12 ILE 7 2HG1 ILE 7 11.829 -9.948 -1.758
58 HG13 ILE 7 3HG1 ILE 7 13.389 -9.805 -2.561
59 HG21 ILE 7 1HG2 ILE 7 9.881 -7.971 -4.045
60 HG22 ILE 7 2HG2 ILE 7 9.882 -9.078 -2.674
61 HG23 ILE 7 3HG2 ILE 7 10.412 -7.410 -2.460
62 HD11 ILE 7 3HD1 ILE 7 12.076 -7.905 -0.660
63 HD12 ILE 7 1HD1 ILE 7 13.661 -8.671 -0.550
64 HD13 ILE 7 2HD1 ILE 7 13.380 -7.389 -1.729
65 H HIS 8 H HIS 8 9.849 -9.396 -6.188
66 HA HIS 8 HA HIS 8 7.760 -10.518 -4.792
67 HB2 HIS 8 2HB HIS 8 7.751 -9.268 -7.048
68 HB3 HIS 8 3HB HIS 8 8.007 -10.853 -7.774
69 HD1 HIS 8 HD1 HIS 8 5.499 -9.604 -8.626
70 HD2 HIS 8 HD2 HIS 8 5.731 -11.756 -5.079
71 HE1 HIS 8 HE1 HIS 8 3.138 -10.294 -8.103
72 H ASN 9 H ASN 9 10.380 -12.104 -6.394
73 HA ASN 9 HA ASN 9 9.138 -14.669 -6.623
74 HB2 ASN 9 2HB ASN 9 11.898 -13.587 -6.971
75 HB3 ASN 9 3HB ASN 9 11.709 -15.325 -6.755
76 HD21 ASN 9 1HD2 ASN 9 11.172 -16.520 -8.456
77 HD22 ASN 9 2HD2 ASN 9 10.671 -15.905 -9.991
78 H LEU 10 H LEU 10 11.263 -13.117 -4.267
79 HA LEU 10 HA LEU 10 11.406 -15.490 -2.623
80 HB2 LEU 10 2HB LEU 10 13.328 -14.037 -2.733
81 HB3 LEU 10 3HB LEU 10 12.364 -12.666 -2.186
82 HG LEU 10 HG LEU 10 12.200 -13.560 0.016
83 HD11 LEU 10 1HD1 LEU 10 13.141 -15.723 0.640
84 HD12 LEU 10 2HD1 LEU 10 13.566 -16.030 -1.043
85 HD13 LEU 10 3HD1 LEU 10 11.871 -15.904 -0.571
86 HD21 LEU 10 3HD2 LEU 10 14.421 -12.540 -0.876
87 HD22 LEU 10 1HD2 LEU 10 15.041 -14.178 -0.669
88 HD23 LEU 10 2HD2 LEU 10 14.384 -13.303 0.714
89 H PHE 11 H PHE 11 9.020 -13.351 -3.174
90 HA PHE 11 HA PHE 11 8.041 -13.458 -0.397
91 HB2 PHE 11 2HB PHE 11 7.830 -11.366 -2.509
92 HB3 PHE 11 3HB PHE 11 6.473 -11.559 -1.404
93 HD1 PHE 11 HD1 PHE 11 10.149 -11.035 -1.477
94 HD2 PHE 11 HD2 PHE 11 6.517 -10.558 0.689
95 HE1 PHE 11 HE1 PHE 11 11.332 -9.678 0.200
96 HE2 PHE 11 HE2 PHE 11 7.693 -9.200 2.370
97 HZ PHE 11 HZ PHE 11 10.104 -8.758 2.126
98 H ARG 12 H ARG 12 7.099 -13.694 -3.803
99 HA ARG 12 HA ARG 12 4.443 -14.278 -3.634
100 HB2 ARG 12 2HB ARG 12 4.698 -15.604 -5.677
101 HB3 ARG 12 3HB ARG 12 5.654 -14.130 -5.755
102 HG2 ARG 12 2HG ARG 12 7.661 -15.417 -5.170
103 HG3 ARG 12 3HG ARG 12 6.690 -16.890 -5.148
104 HD2 ARG 12 2HD ARG 12 7.354 -15.123 -7.487
105 HD3 ARG 12 3HD ARG 12 7.731 -16.831 -7.265
106 HE ARG 12 HE ARG 12 5.027 -16.786 -7.227
107 HH11 ARG 12 1HH1 ARG 12 7.412 -15.532 -9.432
108 HH12 ARG 12 2HH1 ARG 12 6.398 -15.696 -10.827
109 HH21 ARG 12 1HH2 ARG 12 3.683 -17.006 -9.057
110 HH22 ARG 12 2HH2 ARG 12 4.276 -16.534 -10.612
111 H LYS 13 H LYS 13 7.112 -16.285 -2.657
112 HA LYS 13 HA LYS 13 5.266 -18.495 -2.060
113 HB2 LYS 13 2HB LYS 13 8.262 -18.400 -2.391
114 HB3 LYS 13 3HB LYS 13 7.431 -19.792 -1.709
115 HG2 LYS 13 2HG LYS 13 6.444 -20.356 -3.713
116 HG3 LYS 13 3HG LYS 13 6.585 -18.720 -4.362
117 HD2 LYS 13 2HD LYS 13 8.362 -19.488 -5.481
118 HD3 LYS 13 3HD LYS 13 9.205 -19.441 -3.931
119 HE2 LYS 13 2HE LYS 13 7.770 -21.801 -5.143
120 HE3 LYS 13 3HE LYS 13 9.512 -21.606 -4.957
121 HZ1 LYS 13 3HZ LYS 13 7.479 -22.087 -2.873
122 HZ2 LYS 13 1HZ LYS 13 8.975 -21.403 -2.479
123 HZ3 LYS 13 2HZ LYS 13 8.907 -22.941 -3.180
124 H LEU 14 H LEU 14 7.735 -16.405 -0.648
125 HA LEU 14 HA LEU 14 7.742 -17.548 1.927
126 HB2 LEU 14 2HB LEU 14 9.529 -16.111 1.256
127 HB3 LEU 14 3HB LEU 14 8.415 -14.778 0.959
128 HG LEU 14 HG LEU 14 9.898 -14.756 3.081
129 HD11 LEU 14 1HD1 LEU 14 7.010 -14.298 3.672
130 HD12 LEU 14 2HD1 LEU 14 7.806 -13.350 2.416
131 HD13 LEU 14 3HD1 LEU 14 8.413 -13.306 4.071
132 HD21 LEU 14 3HD2 LEU 14 9.370 -16.073 4.851
133 HD22 LEU 14 1HD2 LEU 14 8.871 -17.170 3.563
134 HD23 LEU 14 2HD2 LEU 14 7.668 -16.189 4.401
135 H THR 15 H THR 15 6.027 -14.699 0.653
136 HA THR 15 HA THR 15 4.321 -14.714 3.043
137 HB THR 15 HB THR 15 5.376 -12.565 2.504
138 HG1 THR 15 HG1 THR 15 3.579 -11.515 3.014
139 HG21 THR 15 3HG2 THR 15 4.456 -11.350 0.456
140 HG22 THR 15 1HG2 THR 15 3.952 -12.938 -0.121
141 HG23 THR 15 2HG2 THR 15 5.661 -12.605 0.164
142 H HIS 16 H HIS 16 4.029 -16.666 0.902
143 HA HIS 16 HA HIS 16 2.060 -16.166 -0.948
144 HB2 HIS 16 2HB HIS 16 1.567 -18.539 -0.912
145 HB3 HIS 16 3HB HIS 16 3.303 -18.305 -0.733
146 HD1 HIS 16 HD1 HIS 16 0.625 -20.199 0.645
147 HD2 HIS 16 HD2 HIS 16 4.021 -18.383 2.204
148 HE1 HIS 16 HE1 HIS 16 1.027 -21.317 2.862
149 H ARG 17 H ARG 17 1.756 -16.489 2.501
150 HA ARG 17 HA ARG 17 -0.964 -17.056 2.735
151 HB2 ARG 17 2HB ARG 17 0.804 -15.381 4.525
152 HB3 ARG 17 3HB ARG 17 -0.798 -15.959 4.963
153 HG2 ARG 17 2HG ARG 17 -0.104 -18.149 5.154
154 HG3 ARG 17 3HG ARG 17 1.294 -17.905 4.105
155 HD2 ARG 17 2HD ARG 17 1.794 -16.178 6.174
156 HD3 ARG 17 3HD ARG 17 1.019 -17.536 6.990
157 HE ARG 17 HE ARG 17 3.641 -17.480 5.893
158 HH11 ARG 17 1HH1 ARG 17 0.899 -19.554 6.435
159 HH12 ARG 17 2HH1 ARG 17 1.842 -21.007 6.480
160 HH21 ARG 17 1HH2 ARG 17 4.894 -19.386 5.949
161 HH22 ARG 17 2HH2 ARG 17 4.114 -20.910 6.204
162 H LEU 18 H LEU 18 0.678 -14.103 1.908
163 HA LEU 18 HA LEU 18 -1.837 -12.600 2.060
164 HB2 LEU 18 2HB LEU 18 0.884 -11.483 1.450
165 HB3 LEU 18 3HB LEU 18 -0.554 -10.615 1.984
166 HG LEU 18 HG LEU 18 1.301 -12.341 3.597
167 HD11 LEU 18 1HD1 LEU 18 1.937 -10.034 3.431
168 HD12 LEU 18 2HD1 LEU 18 1.296 -10.327 5.047
169 HD13 LEU 18 3HD1 LEU 18 0.304 -9.508 3.840
170 HD21 LEU 18 3HD2 LEU 18 -0.637 -13.155 4.489
171 HD22 LEU 18 1HD2 LEU 18 -1.568 -11.719 4.065
172 HD23 LEU 18 2HD2 LEU 18 -0.467 -11.680 5.442
173 H PHE 19 H PHE 19 0.739 -13.530 -0.167
174 HA PHE 19 HA PHE 19 -0.718 -12.340 -2.404
175 HB2 PHE 19 2HB PHE 19 2.072 -13.281 -1.962
176 HB3 PHE 19 3HB PHE 19 1.434 -13.379 -3.601
177 HD1 PHE 19 HD1 PHE 19 1.242 -10.884 -0.827
178 HD2 PHE 19 HD2 PHE 19 2.118 -11.644 -4.922
179 HE1 PHE 19 HE1 PHE 19 1.744 -8.498 -1.159
180 HE2 PHE 19 HE2 PHE 19 2.622 -9.260 -5.261
181 HZ PHE 19 HZ PHE 19 2.436 -7.683 -3.378
182 H ARG 20 H ARG 20 -1.840 -14.617 -1.058
183 HA ARG 20 HA ARG 20 -1.344 -17.042 -2.380
184 HB2 ARG 20 2HB ARG 20 -3.503 -17.767 -1.504
185 HB3 ARG 20 3HB ARG 20 -2.601 -16.888 -0.276
186 HG2 ARG 20 2HG ARG 20 -4.070 -14.901 -1.442
187 HG3 ARG 20 3HG ARG 20 -5.169 -16.280 -1.516
188 HD2 ARG 20 2HD ARG 20 -5.195 -16.538 0.798
189 HD3 ARG 20 3HD ARG 20 -3.703 -15.623 1.011
190 HE ARG 20 HE ARG 20 -5.521 -13.847 -0.041
191 HH11 ARG 20 1HH1 ARG 20 -5.302 -15.852 2.796
192 HH12 ARG 20 2HH1 ARG 20 -6.243 -14.784 3.784
193 HH21 ARG 20 1HH2 ARG 20 -6.762 -12.432 1.248
194 HH22 ARG 20 2HH2 ARG 20 -7.074 -12.840 2.902
195 H ARG 21 H ARG 21 -3.248 -14.261 -3.263
196 HA ARG 21 HA ARG 21 -4.853 -15.459 -5.248
197 HB2 ARG 21 2HB ARG 21 -5.292 -13.214 -6.022
198 HB3 ARG 21 3HB ARG 21 -5.273 -13.220 -4.264
199 HG2 ARG 21 2HG ARG 21 -2.701 -12.600 -4.762
200 HG3 ARG 21 3HG ARG 21 -3.481 -11.884 -6.173
201 HD2 ARG 21 2HD ARG 21 -4.159 -11.358 -3.282
202 HD3 ARG 21 3HD ARG 21 -3.330 -10.257 -4.382
203 HE ARG 21 HE ARG 21 -6.148 -10.707 -4.195
204 HH11 ARG 21 1HH1 ARG 21 -3.569 -9.810 -6.355
205 HH12 ARG 21 2HH1 ARG 21 -4.599 -8.917 -7.424
206 HH21 ARG 21 1HH2 ARG 21 -7.515 -9.534 -5.595
207 HH22 ARG 21 2HH2 ARG 21 -6.843 -8.760 -6.991
Start of MODEL 9
1 H1 ARG 1 H ARG 1 3.113 1.676 -0.109
2 HA ARG 1 HA ARG 1 1.583 -0.551 -1.279
3 HB2 ARG 1 2HB ARG 1 2.561 1.928 -2.382
4 HB3 ARG 1 3HB ARG 1 3.250 0.564 -3.252
5 HG2 ARG 1 2HG ARG 1 1.109 -0.258 -3.842
6 HG3 ARG 1 3HG ARG 1 0.305 0.853 -2.732
7 HD2 ARG 1 2HD ARG 1 0.182 2.393 -4.325
8 HD3 ARG 1 3HD ARG 1 1.935 2.360 -4.518
9 HE ARG 1 HE ARG 1 1.122 0.194 -5.915
10 HH11 ARG 1 1HH1 ARG 1 0.177 3.544 -5.941
11 HH12 ARG 1 2HH1 ARG 1 -0.248 3.547 -7.621
12 HH21 ARG 1 1HH2 ARG 1 0.566 0.184 -8.127
13 HH22 ARG 1 2HH2 ARG 1 -0.027 1.634 -8.863
14 H TRP 2 H TRP 2 2.608 -2.396 -1.881
15 HA TRP 2 HA TRP 2 5.240 -2.849 -0.807
16 HB2 TRP 2 2HB TRP 2 3.032 -4.445 -1.245
17 HB3 TRP 2 3HB TRP 2 4.146 -4.966 -2.506
18 HD1 TRP 2 HD1 TRP 2 6.878 -4.984 -1.089
19 HE1 TRP 2 HE1 TRP 2 7.368 -6.577 0.873
20 HE3 TRP 2 HE3 TRP 2 2.081 -5.937 0.402
21 HZ2 TRP 2 HZ2 TRP 2 5.914 -8.044 2.797
22 HZ3 TRP 2 HZ3 TRP 2 1.717 -7.446 2.311
23 HH2 TRP 2 HH2 TRP 2 3.596 -8.477 3.482
24 H SER 3 H SER 3 6.844 -1.897 -1.939
25 HA SER 3 HA SER 3 6.854 -2.034 -4.848
26 HB2 SER 3 2HB SER 3 9.186 -0.794 -4.231
27 HB3 SER 3 3HB SER 3 7.645 0.049 -4.392
28 HG SER 3 HG SER 3 9.168 -0.414 -2.162
29 H ILE 4 H ILE 4 7.202 -4.257 -5.158
30 HA ILE 4 HA ILE 4 9.900 -5.190 -4.420
31 HB ILE 4 HB ILE 4 8.943 -7.514 -4.706
32 HG12 ILE 4 2HG1 ILE 4 6.826 -6.387 -5.841
33 HG13 ILE 4 3HG1 ILE 4 6.688 -7.891 -4.938
34 HG21 ILE 4 1HG2 ILE 4 9.424 -6.587 -2.518
35 HG22 ILE 4 2HG2 ILE 4 7.855 -5.783 -2.491
36 HG23 ILE 4 3HG2 ILE 4 7.943 -7.544 -2.459
37 HD11 ILE 4 3HD1 ILE 4 5.667 -6.865 -3.140
38 HD12 ILE 4 1HD1 ILE 4 6.280 -5.269 -3.571
39 HD13 ILE 4 2HD1 ILE 4 4.987 -6.003 -4.520
40 H THR 5 H THR 5 10.960 -4.518 -6.260
41 HA THR 5 HA THR 5 10.083 -4.681 -8.884
42 HB THR 5 HB THR 5 12.016 -3.476 -8.803
43 HG1 THR 5 HG1 THR 5 12.341 -5.167 -10.365
44 HG21 THR 5 3HG2 THR 5 12.908 -3.587 -6.722
45 HG22 THR 5 1HG2 THR 5 14.071 -4.648 -7.516
46 HG23 THR 5 2HG2 THR 5 12.718 -5.337 -6.618
47 H THR 6 H THR 6 12.632 -6.846 -7.689
48 HA THR 6 HA THR 6 11.422 -9.004 -9.288
49 HB THR 6 HB THR 6 14.243 -8.219 -8.787
50 HG1 THR 6 HG1 THR 6 13.101 -7.988 -10.830
51 HG21 THR 6 3HG2 THR 6 13.329 -11.082 -9.038
52 HG22 THR 6 1HG2 THR 6 14.305 -10.373 -7.752
53 HG23 THR 6 2HG2 THR 6 14.977 -10.551 -9.373
54 H ILE 7 H ILE 7 12.662 -8.106 -6.154
55 HA ILE 7 HA ILE 7 12.978 -10.548 -4.914
56 HB ILE 7 HB ILE 7 13.277 -8.137 -3.982
57 HG12 ILE 7 2HG1 ILE 7 12.172 -10.160 -2.043
58 HG13 ILE 7 3HG1 ILE 7 13.707 -10.417 -2.865
59 HG21 ILE 7 1HG2 ILE 7 10.856 -7.593 -4.206
60 HG22 ILE 7 2HG2 ILE 7 10.528 -8.746 -2.913
61 HG23 ILE 7 3HG2 ILE 7 11.509 -7.316 -2.591
62 HD11 ILE 7 3HD1 ILE 7 13.018 -8.136 -1.029
63 HD12 ILE 7 1HD1 ILE 7 14.085 -9.495 -0.676
64 HD13 ILE 7 2HD1 ILE 7 14.539 -8.312 -1.903
65 H HIS 8 H HIS 8 10.083 -9.086 -6.054
66 HA HIS 8 HA HIS 8 8.101 -10.084 -4.450
67 HB2 HIS 8 2HB HIS 8 7.835 -8.649 -6.518
68 HB3 HIS 8 3HB HIS 8 7.954 -10.129 -7.466
69 HD1 HIS 8 HD1 HIS 8 5.443 -9.043 -8.090
70 HD2 HIS 8 HD2 HIS 8 5.918 -11.006 -4.459
71 HE1 HIS 8 HE1 HIS 8 3.120 -9.661 -7.351
72 H ASN 9 H ASN 9 10.176 -11.829 -6.625
73 HA ASN 9 HA ASN 9 8.633 -14.195 -6.834
74 HB2 ASN 9 2HB ASN 9 11.487 -13.468 -7.349
75 HB3 ASN 9 3HB ASN 9 11.044 -15.172 -7.291
76 HD21 ASN 9 1HD2 ASN 9 9.444 -12.272 -8.563
77 HD22 ASN 9 2HD2 ASN 9 9.216 -12.892 -10.159
78 H LEU 10 H LEU 10 11.172 -13.153 -4.606
79 HA LEU 10 HA LEU 10 11.241 -15.642 -3.188
80 HB2 LEU 10 2HB LEU 10 13.213 -14.292 -3.221
81 HB3 LEU 10 3HB LEU 10 12.338 -12.907 -2.569
82 HG LEU 10 HG LEU 10 12.150 -13.971 -0.419
83 HD11 LEU 10 1HD1 LEU 10 11.861 -16.275 -1.221
84 HD12 LEU 10 2HD1 LEU 10 13.083 -16.157 0.044
85 HD13 LEU 10 3HD1 LEU 10 13.573 -16.332 -1.641
86 HD21 LEU 10 3HD2 LEU 10 14.986 -14.417 -1.302
87 HD22 LEU 10 1HD2 LEU 10 14.393 -13.858 0.262
88 HD23 LEU 10 2HD2 LEU 10 14.295 -12.802 -1.148
89 H PHE 11 H PHE 11 8.992 -13.224 -3.309
90 HA PHE 11 HA PHE 11 8.153 -13.621 -0.518
91 HB2 PHE 11 2HB PHE 11 7.750 -11.394 -2.479
92 HB3 PHE 11 3HB PHE 11 6.572 -11.633 -1.192
93 HD1 PHE 11 HD1 PHE 11 7.272 -11.438 1.172
94 HD2 PHE 11 HD2 PHE 11 9.883 -10.464 -2.045
95 HE1 PHE 11 HE1 PHE 11 8.717 -10.193 2.726
96 HE2 PHE 11 HE2 PHE 11 11.333 -9.218 -0.496
97 HZ PHE 11 HZ PHE 11 10.751 -9.081 1.893
98 H ARG 12 H ARG 12 6.978 -13.609 -3.858
99 HA ARG 12 HA ARG 12 4.326 -14.185 -3.518
100 HB2 ARG 12 2HB ARG 12 4.322 -15.098 -5.707
101 HB3 ARG 12 3HB ARG 12 5.578 -13.868 -5.695
102 HG2 ARG 12 2HG ARG 12 6.724 -15.513 -6.740
103 HG3 ARG 12 3HG ARG 12 7.083 -15.967 -5.073
104 HD2 ARG 12 2HD ARG 12 5.949 -17.883 -5.248
105 HD3 ARG 12 3HD ARG 12 4.577 -17.091 -6.022
106 HE ARG 12 HE ARG 12 6.826 -17.424 -7.770
107 HH11 ARG 12 1HH1 ARG 12 3.996 -18.961 -6.445
108 HH12 ARG 12 2HH1 ARG 12 3.819 -20.068 -7.766
109 HH21 ARG 12 1HH2 ARG 12 6.603 -18.877 -9.515
110 HH22 ARG 12 2HH2 ARG 12 5.303 -20.020 -9.511
111 H LYS 13 H LYS 13 7.046 -16.237 -2.884
112 HA LYS 13 HA LYS 13 5.266 -18.530 -2.421
113 HB2 LYS 13 2HB LYS 13 7.508 -18.549 -3.850
114 HB3 LYS 13 3HB LYS 13 8.233 -18.783 -2.265
115 HG2 LYS 13 2HG LYS 13 6.467 -20.674 -2.027
116 HG3 LYS 13 3HG LYS 13 6.393 -20.572 -3.788
117 HD2 LYS 13 2HD LYS 13 8.440 -21.486 -4.052
118 HD3 LYS 13 3HD LYS 13 9.105 -20.655 -2.643
119 HE2 LYS 13 2HE LYS 13 7.736 -22.274 -1.239
120 HE3 LYS 13 3HE LYS 13 7.484 -23.188 -2.725
121 HZ1 LYS 13 3HZ LYS 13 9.885 -23.408 -2.946
122 HZ2 LYS 13 1HZ LYS 13 9.353 -24.054 -1.476
123 HZ3 LYS 13 2HZ LYS 13 10.117 -22.546 -1.509
124 H LEU 14 H LEU 14 7.747 -16.527 -0.905
125 HA LEU 14 HA LEU 14 7.810 -17.903 1.565
126 HB2 LEU 14 2HB LEU 14 9.631 -16.490 1.029
127 HB3 LEU 14 3HB LEU 14 8.570 -15.110 0.755
128 HG LEU 14 HG LEU 14 8.767 -16.327 3.482
129 HD11 LEU 14 1HD1 LEU 14 11.077 -15.923 2.664
130 HD12 LEU 14 2HD1 LEU 14 10.622 -14.917 4.039
131 HD13 LEU 14 3HD1 LEU 14 10.649 -14.231 2.414
132 HD21 LEU 14 3HD2 LEU 14 7.126 -14.737 3.525
133 HD22 LEU 14 1HD2 LEU 14 7.878 -13.765 2.259
134 HD23 LEU 14 2HD2 LEU 14 8.529 -13.734 3.898
135 H THR 15 H THR 15 6.153 -14.908 0.581
136 HA THR 15 HA THR 15 4.505 -15.076 3.003
137 HB THR 15 HB THR 15 5.604 -12.918 2.610
138 HG1 THR 15 HG1 THR 15 2.895 -12.412 2.056
139 HG21 THR 15 3HG2 THR 15 4.670 -11.519 0.690
140 HG22 THR 15 1HG2 THR 15 4.108 -13.042 0.002
141 HG23 THR 15 2HG2 THR 15 5.831 -12.777 0.267
142 H HIS 16 H HIS 16 4.208 -16.705 0.486
143 HA HIS 16 HA HIS 16 2.059 -15.924 -1.068
144 HB2 HIS 16 2HB HIS 16 3.575 -18.033 -1.210
145 HB3 HIS 16 3HB HIS 16 2.354 -18.779 -0.183
146 HD1 HIS 16 HD1 HIS 16 1.387 -16.359 -2.876
147 HD2 HIS 16 HD2 HIS 16 1.441 -20.460 -2.210
148 HE1 HIS 16 HE1 HIS 16 0.045 -17.362 -4.751
149 H ARG 17 H ARG 17 2.108 -16.861 2.238
150 HA ARG 17 HA ARG 17 -0.589 -17.715 2.479
151 HB2 ARG 17 2HB ARG 17 -0.249 -17.419 4.896
152 HB3 ARG 17 3HB ARG 17 1.081 -18.299 4.155
153 HG2 ARG 17 2HG ARG 17 2.370 -16.886 5.308
154 HG3 ARG 17 3HG ARG 17 1.994 -15.747 4.013
155 HD2 ARG 17 2HD ARG 17 0.161 -14.835 5.308
156 HD3 ARG 17 3HD ARG 17 0.432 -16.028 6.578
157 HE ARG 17 HE ARG 17 1.919 -13.607 6.122
158 HH11 ARG 17 1HH1 ARG 17 1.961 -16.782 7.549
159 HH12 ARG 17 2HH1 ARG 17 3.189 -16.388 8.706
160 HH21 ARG 17 1HH2 ARG 17 3.537 -13.076 7.640
161 HH22 ARG 17 2HH2 ARG 17 4.084 -14.280 8.757
162 H LEU 18 H LEU 18 0.943 -14.615 2.348
163 HA LEU 18 HA LEU 18 -1.582 -13.308 3.110
164 HB2 LEU 18 2HB LEU 18 -0.038 -12.376 4.517
165 HB3 LEU 18 3HB LEU 18 1.278 -12.543 3.357
166 HG LEU 18 HG LEU 18 0.371 -10.629 2.093
167 HD11 LEU 18 1HD1 LEU 18 -1.587 -9.638 2.535
168 HD12 LEU 18 2HD1 LEU 18 -1.361 -9.742 4.281
169 HD13 LEU 18 3HD1 LEU 18 -1.968 -11.135 3.386
170 HD21 LEU 18 3HD2 LEU 18 1.761 -9.404 3.311
171 HD22 LEU 18 1HD2 LEU 18 1.678 -10.607 4.598
172 HD23 LEU 18 2HD2 LEU 18 0.548 -9.252 4.583
173 H PHE 19 H PHE 19 1.000 -13.357 0.699
174 HA PHE 19 HA PHE 19 -0.525 -11.552 -1.019
175 HB2 PHE 19 2HB PHE 19 2.236 -12.010 -0.605
176 HB3 PHE 19 3HB PHE 19 1.881 -12.519 -2.252
177 HD1 PHE 19 HD1 PHE 19 -0.113 -10.674 -3.171
178 HD2 PHE 19 HD2 PHE 19 3.262 -9.957 -0.679
179 HE1 PHE 19 HE1 PHE 19 -0.074 -8.326 -3.905
180 HE2 PHE 19 HE2 PHE 19 3.306 -7.608 -1.408
181 HZ PHE 19 HZ PHE 19 1.636 -6.789 -3.023
182 H ARG 20 H ARG 20 -1.456 -14.262 -0.464
183 HA ARG 20 HA ARG 20 -0.938 -16.123 -2.432
184 HB2 ARG 20 2HB ARG 20 -2.321 -16.765 -0.614
185 HB3 ARG 20 3HB ARG 20 -3.475 -15.479 -0.941
186 HG2 ARG 20 2HG ARG 20 -3.056 -17.469 -3.086
187 HG3 ARG 20 3HG ARG 20 -3.893 -18.016 -1.632
188 HD2 ARG 20 2HD ARG 20 -4.959 -15.489 -2.344
189 HD3 ARG 20 3HD ARG 20 -4.902 -16.477 -3.804
190 HE ARG 20 HE ARG 20 -6.609 -16.849 -1.526
191 HH11 ARG 20 1HH1 ARG 20 -5.061 -18.419 -4.220
192 HH12 ARG 20 2HH1 ARG 20 -6.212 -19.712 -4.296
193 HH21 ARG 20 1HH2 ARG 20 -8.130 -18.546 -1.615
194 HH22 ARG 20 2HH2 ARG 20 -7.958 -19.783 -2.814
195 H ARG 21 H ARG 21 -2.817 -13.189 -2.619
196 HA ARG 21 HA ARG 21 -4.197 -13.765 -5.021
197 HB2 ARG 21 2HB ARG 21 -3.405 -11.081 -3.874
198 HB3 ARG 21 3HB ARG 21 -4.604 -11.347 -5.133
199 HG2 ARG 21 2HG ARG 21 -4.819 -12.500 -2.364
200 HG3 ARG 21 3HG ARG 21 -5.528 -10.957 -2.844
201 HD2 ARG 21 2HD ARG 21 -6.645 -12.300 -4.733
202 HD3 ARG 21 3HD ARG 21 -6.217 -13.722 -3.782
203 HE ARG 21 HE ARG 21 -7.868 -13.181 -2.285
204 HH11 ARG 21 1HH1 ARG 21 -7.263 -10.461 -4.372
205 HH12 ARG 21 2HH1 ARG 21 -8.628 -9.556 -3.805
206 HH21 ARG 21 1HH2 ARG 21 -9.668 -12.000 -1.530
207 HH22 ARG 21 2HH2 ARG 21 -9.994 -10.432 -2.188
Start of MODEL 10
1 H1 ARG 1 H ARG 1 1.108 -0.621 -0.857
2 HA ARG 1 HA ARG 1 1.547 -0.336 -3.728
3 HB2 ARG 1 2HB ARG 1 2.618 1.619 -1.684
4 HB3 ARG 1 3HB ARG 1 3.088 1.569 -3.378
5 HG2 ARG 1 2HG ARG 1 0.235 1.714 -3.170
6 HG3 ARG 1 3HG ARG 1 0.979 3.000 -2.218
7 HD2 ARG 1 2HD ARG 1 0.826 3.999 -4.285
8 HD3 ARG 1 3HD ARG 1 2.455 3.327 -4.344
9 HE ARG 1 HE ARG 1 0.432 1.572 -5.392
10 HH11 ARG 1 1HH1 ARG 1 2.623 4.180 -6.112
11 HH12 ARG 1 2HH1 ARG 1 2.688 3.831 -7.808
12 HH21 ARG 1 1HH2 ARG 1 0.509 1.102 -7.623
13 HH22 ARG 1 2HH2 ARG 1 1.484 2.080 -8.666
14 H TRP 2 H TRP 2 2.250 -2.569 -3.219
15 HA TRP 2 HA TRP 2 4.700 -2.858 -1.704
16 HB2 TRP 2 2HB TRP 2 2.607 -4.561 -2.324
17 HB3 TRP 2 3HB TRP 2 3.920 -5.145 -3.343
18 HD1 TRP 2 HD1 TRP 2 6.395 -4.978 -1.552
19 HE1 TRP 2 HE1 TRP 2 6.607 -6.359 0.610
20 HE3 TRP 2 HE3 TRP 2 1.440 -5.883 -0.677
21 HZ2 TRP 2 HZ2 TRP 2 4.900 -7.660 2.444
22 HZ3 TRP 2 HZ3 TRP 2 0.814 -7.204 1.302
23 HH2 TRP 2 HH2 TRP 2 2.509 -8.073 2.829
24 H SER 3 H SER 3 6.323 -1.789 -2.759
25 HA SER 3 HA SER 3 6.737 -2.015 -5.583
26 HB2 SER 3 2HB SER 3 8.713 -1.031 -3.517
27 HB3 SER 3 3HB SER 3 8.688 -0.654 -5.239
28 HG SER 3 HG SER 3 6.749 0.104 -3.308
29 H ILE 4 H ILE 4 6.823 -4.309 -5.839
30 HA ILE 4 HA ILE 4 9.412 -5.466 -5.032
31 HB ILE 4 HB ILE 4 8.328 -7.690 -5.090
32 HG12 ILE 4 2HG1 ILE 4 6.033 -6.035 -5.941
33 HG13 ILE 4 3HG1 ILE 4 6.417 -7.710 -6.321
34 HG21 ILE 4 1HG2 ILE 4 8.586 -6.296 -3.005
35 HG22 ILE 4 2HG2 ILE 4 6.887 -5.861 -3.186
36 HG23 ILE 4 3HG2 ILE 4 7.345 -7.547 -2.939
37 HD11 ILE 4 3HD1 ILE 4 5.668 -8.309 -4.013
38 HD12 ILE 4 1HD1 ILE 4 5.099 -6.649 -3.840
39 HD13 ILE 4 2HD1 ILE 4 4.402 -7.696 -5.077
40 H THR 5 H THR 5 10.531 -5.022 -6.893
41 HA THR 5 HA THR 5 9.417 -5.643 -9.487
42 HB THR 5 HB THR 5 10.893 -3.707 -9.264
43 HG1 THR 5 HG1 THR 5 12.377 -4.340 -10.988
44 HG21 THR 5 3HG2 THR 5 13.264 -5.486 -8.901
45 HG22 THR 5 1HG2 THR 5 12.328 -5.003 -7.487
46 HG23 THR 5 2HG2 THR 5 13.072 -3.777 -8.514
47 H THR 6 H THR 6 11.991 -6.911 -7.400
48 HA THR 6 HA THR 6 11.975 -9.370 -9.026
49 HB THR 6 HB THR 6 14.262 -7.796 -7.952
50 HG1 THR 6 HG1 THR 6 13.723 -9.371 -10.259
51 HG21 THR 6 3HG2 THR 6 14.265 -10.809 -8.164
52 HG22 THR 6 1HG2 THR 6 14.498 -9.858 -6.698
53 HG23 THR 6 2HG2 THR 6 15.705 -9.807 -7.983
54 H ILE 7 H ILE 7 12.294 -7.958 -5.815
55 HA ILE 7 HA ILE 7 12.710 -10.253 -4.309
56 HB ILE 7 HB ILE 7 12.438 -7.664 -3.665
57 HG12 ILE 7 2HG1 ILE 7 11.825 -9.789 -1.618
58 HG13 ILE 7 3HG1 ILE 7 13.410 -9.658 -2.371
59 HG21 ILE 7 1HG2 ILE 7 9.955 -7.842 -3.993
60 HG22 ILE 7 2HG2 ILE 7 9.915 -8.891 -2.576
61 HG23 ILE 7 3HG2 ILE 7 10.460 -7.221 -2.422
62 HD11 ILE 7 3HD1 ILE 7 13.759 -7.503 -1.446
63 HD12 ILE 7 1HD1 ILE 7 12.085 -7.399 -0.902
64 HD13 ILE 7 2HD1 ILE 7 13.188 -8.550 -0.147
65 H HIS 8 H HIS 8 9.930 -9.274 -6.056
66 HA HIS 8 HA HIS 8 7.833 -10.403 -4.659
67 HB2 HIS 8 2HB HIS 8 7.923 -9.124 -6.957
68 HB3 HIS 8 3HB HIS 8 7.960 -10.751 -7.629
69 HD1 HIS 8 HD1 HIS 8 5.570 -9.045 -8.280
70 HD2 HIS 8 HD2 HIS 8 5.736 -11.502 -4.934
71 HE1 HIS 8 HE1 HIS 8 3.175 -9.493 -7.655
72 H ASN 9 H ASN 9 10.454 -11.961 -6.259
73 HA ASN 9 HA ASN 9 9.203 -14.508 -6.603
74 HB2 ASN 9 2HB ASN 9 12.012 -13.479 -6.773
75 HB3 ASN 9 3HB ASN 9 11.730 -15.216 -6.726
76 HD21 ASN 9 1HD2 ASN 9 10.094 -16.019 -8.318
77 HD22 ASN 9 2HD2 ASN 9 10.128 -15.322 -9.898
78 H LEU 10 H LEU 10 11.315 -13.076 -4.152
79 HA LEU 10 HA LEU 10 11.363 -15.492 -2.574
80 HB2 LEU 10 2HB LEU 10 13.313 -14.096 -2.564
81 HB3 LEU 10 3HB LEU 10 12.364 -12.699 -2.057
82 HG LEU 10 HG LEU 10 12.052 -13.627 0.132
83 HD11 LEU 10 1HD1 LEU 10 13.534 -16.058 -0.860
84 HD12 LEU 10 2HD1 LEU 10 11.806 -15.973 -0.523
85 HD13 LEU 10 3HD1 LEU 10 12.969 -15.779 0.787
86 HD21 LEU 10 3HD2 LEU 10 14.442 -13.864 0.854
87 HD22 LEU 10 1HD2 LEU 10 14.091 -12.422 -0.098
88 HD23 LEU 10 2HD2 LEU 10 14.895 -13.801 -0.850
89 H PHE 11 H PHE 11 9.082 -13.176 -3.085
90 HA PHE 11 HA PHE 11 8.022 -13.362 -0.345
91 HB2 PHE 11 2HB PHE 11 7.856 -11.268 -2.459
92 HB3 PHE 11 3HB PHE 11 6.470 -11.463 -1.390
93 HD1 PHE 11 HD2 PHE 11 10.128 -10.863 -1.410
94 HD2 PHE 11 HD1 PHE 11 6.475 -10.540 0.751
95 HE1 PHE 11 HE2 PHE 11 11.263 -9.507 0.300
96 HE2 PHE 11 HE1 PHE 11 7.605 -9.183 2.464
97 HZ PHE 11 HZ PHE 11 10.002 -8.666 2.241
98 H ARG 12 H ARG 12 7.052 -13.480 -3.761
99 HA ARG 12 HA ARG 12 4.418 -14.115 -3.597
100 HB2 ARG 12 2HB ARG 12 4.660 -15.348 -5.687
101 HB3 ARG 12 3HB ARG 12 5.643 -13.891 -5.715
102 HG2 ARG 12 2HG ARG 12 7.620 -15.262 -5.143
103 HG3 ARG 12 3HG ARG 12 6.607 -16.704 -5.250
104 HD2 ARG 12 2HD ARG 12 7.369 -14.790 -7.440
105 HD3 ARG 12 3HD ARG 12 7.706 -16.517 -7.333
106 HE ARG 12 HE ARG 12 5.281 -15.274 -8.260
107 HH11 ARG 12 1HH1 ARG 12 6.706 -18.161 -6.934
108 HH12 ARG 12 2HH1 ARG 12 5.475 -19.210 -7.556
109 HH21 ARG 12 1HH2 ARG 12 3.655 -16.645 -9.083
110 HH22 ARG 12 2HH2 ARG 12 3.741 -18.347 -8.778
111 H LYS 13 H LYS 13 7.114 -16.138 -2.717
112 HA LYS 13 HA LYS 13 5.323 -18.411 -2.238
113 HB2 LYS 13 2HB LYS 13 7.710 -18.444 -3.432
114 HB3 LYS 13 3HB LYS 13 8.256 -18.612 -1.769
115 HG2 LYS 13 2HG LYS 13 6.484 -20.511 -1.660
116 HG3 LYS 13 3HG LYS 13 6.613 -20.476 -3.420
117 HD2 LYS 13 2HD LYS 13 9.239 -20.453 -2.637
118 HD3 LYS 13 3HD LYS 13 8.490 -21.482 -1.413
119 HE2 LYS 13 2HE LYS 13 9.202 -22.889 -3.201
120 HE3 LYS 13 3HE LYS 13 7.443 -22.786 -3.274
121 HZ1 LYS 13 3HZ LYS 13 9.440 -21.771 -5.133
122 HZ2 LYS 13 1HZ LYS 13 8.082 -20.793 -4.885
123 HZ3 LYS 13 2HZ LYS 13 7.891 -22.381 -5.433
124 H LEU 14 H LEU 14 7.644 -16.298 -0.611
125 HA LEU 14 HA LEU 14 7.477 -17.523 1.929
126 HB2 LEU 14 2HB LEU 14 9.326 -16.142 1.592
127 HB3 LEU 14 3HB LEU 14 8.341 -14.822 0.964
128 HG LEU 14 HG LEU 14 7.678 -14.146 3.105
129 HD11 LEU 14 1HD1 LEU 14 8.652 -15.760 5.045
130 HD12 LEU 14 2HD1 LEU 14 8.234 -16.943 3.807
131 HD13 LEU 14 3HD1 LEU 14 7.005 -15.837 4.420
132 HD21 LEU 14 3HD2 LEU 14 9.760 -13.828 4.325
133 HD22 LEU 14 1HD2 LEU 14 10.011 -13.602 2.594
134 HD23 LEU 14 2HD2 LEU 14 10.529 -15.098 3.371
135 H THR 15 H THR 15 5.924 -14.575 0.663
136 HA THR 15 HA THR 15 4.098 -14.560 2.940
137 HB THR 15 HB THR 15 5.107 -12.423 2.300
138 HG1 THR 15 HG1 THR 15 3.253 -11.345 2.591
139 HG21 THR 15 3HG2 THR 15 4.134 -11.395 0.126
140 HG22 THR 15 1HG2 THR 15 3.872 -13.072 -0.353
141 HG23 THR 15 2HG2 THR 15 5.501 -12.503 0.009
142 H HIS 16 H HIS 16 4.032 -16.513 0.616
143 HA HIS 16 HA HIS 16 1.925 -16.083 -1.107
144 HB2 HIS 16 2HB HIS 16 3.465 -18.062 -1.109
145 HB3 HIS 16 3HB HIS 16 2.541 -18.721 0.238
146 HD1 HIS 16 HD1 HIS 16 0.802 -20.325 -0.453
147 HD2 HIS 16 HD2 HIS 16 1.607 -17.553 -3.441
148 HE1 HIS 16 HE1 HIS 16 -0.644 -20.994 -2.398
149 H ARG 17 H ARG 17 1.849 -16.653 2.301
150 HA ARG 17 HA ARG 17 -0.794 -17.600 2.553
151 HB2 ARG 17 2HB ARG 17 0.955 -16.062 4.478
152 HB3 ARG 17 3HB ARG 17 -0.603 -16.753 4.910
153 HG2 ARG 17 2HG ARG 17 0.341 -18.711 5.312
154 HG3 ARG 17 3HG ARG 17 0.995 -18.766 3.674
155 HD2 ARG 17 2HD ARG 17 2.897 -17.376 4.435
156 HD3 ARG 17 3HD ARG 17 2.257 -17.451 6.076
157 HE ARG 17 HE ARG 17 2.649 -20.042 4.934
158 HH11 ARG 17 1HH1 ARG 17 4.246 -17.390 6.527
159 HH12 ARG 17 2HH1 ARG 17 5.515 -18.374 7.177
160 HH21 ARG 17 1HH2 ARG 17 4.315 -21.348 5.784
161 HH22 ARG 17 2HH2 ARG 17 5.554 -20.625 6.753
162 H LEU 18 H LEU 18 0.528 -14.432 2.045
163 HA LEU 18 HA LEU 18 -2.146 -13.252 2.399
164 HB2 LEU 18 2HB LEU 18 -0.831 -12.017 3.804
165 HB3 LEU 18 3HB LEU 18 0.609 -12.219 2.808
166 HG LEU 18 HG LEU 18 -0.262 -10.562 1.224
167 HD11 LEU 18 1HD1 LEU 18 -2.301 -9.419 2.889
168 HD12 LEU 18 2HD1 LEU 18 -2.705 -11.087 2.483
169 HD13 LEU 18 3HD1 LEU 18 -2.384 -9.921 1.200
170 HD21 LEU 18 3HD2 LEU 18 -0.526 -9.087 3.750
171 HD22 LEU 18 1HD2 LEU 18 0.597 -8.858 2.410
172 HD23 LEU 18 2HD2 LEU 18 0.914 -10.098 3.623
173 H PHE 19 H PHE 19 0.595 -13.576 0.233
174 HA PHE 19 HA PHE 19 -0.756 -12.007 -1.826
175 HB2 PHE 19 2HB PHE 19 1.998 -12.715 -1.232
176 HB3 PHE 19 3HB PHE 19 1.595 -13.036 -2.916
177 HD1 PHE 19 HD1 PHE 19 0.354 -10.343 -0.679
178 HD2 PHE 19 HD2 PHE 19 2.670 -11.359 -4.102
179 HE1 PHE 19 HE1 PHE 19 0.631 -7.954 -1.195
180 HE2 PHE 19 HE2 PHE 19 2.952 -8.971 -4.624
181 HZ PHE 19 HZ PHE 19 1.933 -7.265 -3.170
182 H ARG 20 H ARG 20 -1.621 -14.723 -0.869
183 HA ARG 20 HA ARG 20 -1.076 -16.754 -2.650
184 HB2 ARG 20 2HB ARG 20 -3.085 -17.791 -1.936
185 HB3 ARG 20 3HB ARG 20 -2.504 -16.861 -0.562
186 HG2 ARG 20 2HG ARG 20 -4.099 -15.021 -1.595
187 HG3 ARG 20 3HG ARG 20 -4.897 -16.448 -2.262
188 HD2 ARG 20 2HD ARG 20 -4.175 -16.558 0.601
189 HD3 ARG 20 3HD ARG 20 -5.456 -15.430 0.160
190 HE ARG 20 HE ARG 20 -5.807 -18.059 -0.944
191 HH11 ARG 20 1HH1 ARG 20 -6.349 -16.024 1.828
192 HH12 ARG 20 2HH1 ARG 20 -7.693 -16.951 2.409
193 HH21 ARG 20 1HH2 ARG 20 -7.574 -19.287 -0.190
194 HH22 ARG 20 2HH2 ARG 20 -8.388 -18.808 1.261
195 H ARG 21 H ARG 21 -3.085 -13.934 -3.083
196 HA ARG 21 HA ARG 21 -4.407 -14.858 -5.440
197 HB2 ARG 21 2HB ARG 21 -5.173 -12.554 -5.676
198 HB3 ARG 21 3HB ARG 21 -5.365 -13.102 -4.016
199 HG2 ARG 21 2HG ARG 21 -2.814 -11.905 -4.215
200 HG3 ARG 21 3HG ARG 21 -3.973 -10.828 -4.997
201 HD2 ARG 21 2HD ARG 21 -5.418 -11.233 -2.897
202 HD3 ARG 21 3HD ARG 21 -3.922 -11.815 -2.168
203 HE ARG 21 HE ARG 21 -3.428 -9.318 -3.330
204 HH11 ARG 21 1HH1 ARG 21 -5.234 -10.713 -0.701
205 HH12 ARG 21 2HH1 ARG 21 -5.155 -9.288 0.281
206 HH21 ARG 21 1HH2 ARG 21 -3.318 -7.436 -2.046
207 HH22 ARG 21 2HH2 ARG 21 -4.066 -7.424 -0.485
Start of MODEL 11
1 H1 ARG 1 H ARG 1 2.956 1.836 -0.844
2 HA ARG 1 HA ARG 1 1.233 -0.430 -1.610
3 HB2 ARG 1 2HB ARG 1 2.685 1.565 -3.342
4 HB3 ARG 1 3HB ARG 1 2.106 0.024 -3.963
5 HG2 ARG 1 2HG ARG 1 0.087 1.555 -2.504
6 HG3 ARG 1 3HG ARG 1 0.693 2.348 -3.959
7 HD2 ARG 1 2HD ARG 1 0.063 -0.518 -4.227
8 HD3 ARG 1 3HD ARG 1 -1.315 0.544 -3.943
9 HE ARG 1 HE ARG 1 0.270 0.364 -6.330
10 HH11 ARG 1 1HH1 ARG 1 -1.796 2.418 -4.423
11 HH12 ARG 1 2HH1 ARG 1 -2.268 3.408 -5.765
12 HH21 ARG 1 1HH2 ARG 1 -0.344 1.660 -8.103
13 HH22 ARG 1 2HH2 ARG 1 -1.443 2.975 -7.857
14 H TRP 2 H TRP 2 2.190 -2.361 -1.952
15 HA TRP 2 HA TRP 2 4.817 -2.796 -1.001
16 HB2 TRP 2 2HB TRP 2 2.603 -4.381 -1.519
17 HB3 TRP 2 3HB TRP 2 3.784 -4.927 -2.706
18 HD1 TRP 2 HD1 TRP 2 6.430 -4.996 -1.189
19 HE1 TRP 2 HE1 TRP 2 6.804 -6.530 0.843
20 HE3 TRP 2 HE3 TRP 2 1.559 -5.751 0.166
21 HZ2 TRP 2 HZ2 TRP 2 5.241 -7.883 2.765
22 HZ3 TRP 2 HZ3 TRP 2 1.084 -7.179 2.113
23 HH2 TRP 2 HH2 TRP 2 2.889 -8.223 3.384
24 H SER 3 H SER 3 6.448 -1.848 -2.100
25 HA SER 3 HA SER 3 6.536 -2.016 -5.007
26 HB2 SER 3 2HB SER 3 8.627 -0.612 -4.706
27 HB3 SER 3 3HB SER 3 7.130 0.130 -4.142
28 HG SER 3 HG SER 3 8.575 0.418 -2.519
29 H ILE 4 H ILE 4 6.900 -4.239 -5.288
30 HA ILE 4 HA ILE 4 9.572 -5.164 -4.454
31 HB ILE 4 HB ILE 4 8.627 -7.490 -4.769
32 HG12 ILE 4 2HG1 ILE 4 6.552 -6.367 -5.981
33 HG13 ILE 4 3HG1 ILE 4 6.380 -7.867 -5.076
34 HG21 ILE 4 1HG2 ILE 4 9.032 -6.551 -2.568
35 HG22 ILE 4 2HG2 ILE 4 7.458 -5.757 -2.597
36 HG23 ILE 4 3HG2 ILE 4 7.556 -7.517 -2.558
37 HD11 ILE 4 3HD1 ILE 4 4.669 -5.973 -4.728
38 HD12 ILE 4 1HD1 ILE 4 5.294 -6.834 -3.322
39 HD13 ILE 4 2HD1 ILE 4 5.928 -5.240 -3.735
40 H THR 5 H THR 5 10.697 -4.495 -6.257
41 HA THR 5 HA THR 5 9.897 -4.707 -8.914
42 HB THR 5 HB THR 5 11.774 -3.419 -8.789
43 HG1 THR 5 HG1 THR 5 13.134 -4.438 -10.075
44 HG21 THR 5 3HG2 THR 5 12.602 -3.462 -6.680
45 HG22 THR 5 1HG2 THR 5 13.833 -4.486 -7.420
46 HG23 THR 5 2HG2 THR 5 12.482 -5.217 -6.554
47 H THR 6 H THR 6 12.498 -6.740 -7.607
48 HA THR 6 HA THR 6 11.449 -8.966 -9.223
49 HB THR 6 HB THR 6 14.206 -8.072 -8.571
50 HG1 THR 6 HG1 THR 6 13.069 -9.445 -10.799
51 HG21 THR 6 3HG2 THR 6 13.417 -10.970 -8.848
52 HG22 THR 6 1HG2 THR 6 14.277 -10.214 -7.508
53 HG23 THR 6 2HG2 THR 6 15.061 -10.376 -9.079
54 H ILE 7 H ILE 7 12.483 -7.991 -6.036
55 HA ILE 7 HA ILE 7 12.801 -10.417 -4.757
56 HB ILE 7 HB ILE 7 12.960 -7.953 -3.859
57 HG12 ILE 7 2HG1 ILE 7 11.972 -10.022 -1.910
58 HG13 ILE 7 3HG1 ILE 7 13.512 -10.219 -2.740
59 HG21 ILE 7 1HG2 ILE 7 10.495 -7.603 -4.114
60 HG22 ILE 7 2HG2 ILE 7 10.259 -8.745 -2.792
61 HG23 ILE 7 3HG2 ILE 7 11.129 -7.238 -2.509
62 HD11 ILE 7 3HD1 ILE 7 13.699 -9.231 -0.481
63 HD12 ILE 7 1HD1 ILE 7 14.364 -8.213 -1.757
64 HD13 ILE 7 2HD1 ILE 7 12.789 -7.835 -1.058
65 H HIS 8 H HIS 8 9.940 -9.044 -6.066
66 HA HIS 8 HA HIS 8 7.903 -10.066 -4.540
67 HB2 HIS 8 2HB HIS 8 7.730 -8.657 -6.651
68 HB3 HIS 8 3HB HIS 8 7.879 -10.160 -7.557
69 HD1 HIS 8 HD1 HIS 8 5.383 -8.991 -8.241
70 HD2 HIS 8 HD2 HIS 8 5.749 -11.058 -4.656
71 HE1 HIS 8 HE1 HIS 8 3.037 -9.613 -7.582
72 H ASN 9 H ASN 9 10.139 -11.784 -6.559
73 HA ASN 9 HA ASN 9 8.641 -14.190 -6.805
74 HB2 ASN 9 2HB ASN 9 11.500 -13.414 -7.253
75 HB3 ASN 9 3HB ASN 9 11.063 -15.120 -7.227
76 HD21 ASN 9 1HD2 ASN 9 11.502 -15.460 -9.372
77 HD22 ASN 9 2HD2 ASN 9 10.537 -14.802 -10.646
78 H LEU 10 H LEU 10 11.110 -13.053 -4.544
79 HA LEU 10 HA LEU 10 11.203 -15.524 -3.090
80 HB2 LEU 10 2HB LEU 10 13.156 -14.145 -3.121
81 HB3 LEU 10 3HB LEU 10 12.253 -12.765 -2.498
82 HG LEU 10 HG LEU 10 12.058 -13.801 -0.336
83 HD11 LEU 10 1HD1 LEU 10 13.014 -15.970 0.166
84 HD12 LEU 10 2HD1 LEU 10 13.518 -16.162 -1.513
85 HD13 LEU 10 3HD1 LEU 10 11.802 -16.119 -1.107
86 HD21 LEU 10 3HD2 LEU 10 14.050 -12.940 0.118
87 HD22 LEU 10 1HD2 LEU 10 14.533 -13.122 -1.569
88 HD23 LEU 10 2HD2 LEU 10 14.814 -14.435 -0.425
89 H PHE 11 H PHE 11 8.918 -13.150 -3.283
90 HA PHE 11 HA PHE 11 8.041 -13.528 -0.499
91 HB2 PHE 11 2HB PHE 11 7.718 -11.294 -2.455
92 HB3 PHE 11 3HB PHE 11 6.456 -11.545 -1.252
93 HD1 PHE 11 HD2 PHE 11 9.978 -10.665 -1.777
94 HD2 PHE 11 HD1 PHE 11 6.834 -11.072 1.062
95 HE1 PHE 11 HE2 PHE 11 11.317 -9.432 -0.123
96 HE2 PHE 11 HE1 PHE 11 8.168 -9.839 2.722
97 HZ PHE 11 HZ PHE 11 10.413 -9.018 2.130
98 H ARG 12 H ARG 12 6.929 -13.526 -3.860
99 HA ARG 12 HA ARG 12 4.272 -14.100 -3.574
100 HB2 ARG 12 2HB ARG 12 4.319 -15.048 -5.754
101 HB3 ARG 12 3HB ARG 12 5.554 -13.797 -5.728
102 HG2 ARG 12 2HG ARG 12 6.747 -15.432 -6.735
103 HG3 ARG 12 3HG ARG 12 7.080 -15.865 -5.056
104 HD2 ARG 12 2HD ARG 12 6.289 -17.890 -5.541
105 HD3 ARG 12 3HD ARG 12 4.692 -17.147 -5.622
106 HE ARG 12 HE ARG 12 5.928 -16.810 -8.101
107 HH11 ARG 12 1HH1 ARG 12 4.710 -19.378 -6.092
108 HH12 ARG 12 2HH1 ARG 12 4.317 -20.412 -7.426
109 HH21 ARG 12 1HH2 ARG 12 5.415 -18.161 -9.866
110 HH22 ARG 12 2HH2 ARG 12 4.720 -19.719 -9.572
111 H LYS 13 H LYS 13 6.974 -16.149 -2.861
112 HA LYS 13 HA LYS 13 5.177 -18.433 -2.412
113 HB2 LYS 13 2HB LYS 13 7.437 -18.474 -3.813
114 HB3 LYS 13 3HB LYS 13 8.140 -18.703 -2.217
115 HG2 LYS 13 2HG LYS 13 6.356 -20.579 -1.992
116 HG3 LYS 13 3HG LYS 13 6.311 -20.490 -3.754
117 HD2 LYS 13 2HD LYS 13 8.349 -21.429 -3.978
118 HD3 LYS 13 3HD LYS 13 9.005 -20.579 -2.577
119 HE2 LYS 13 2HE LYS 13 8.982 -22.632 -1.649
120 HE3 LYS 13 3HE LYS 13 7.283 -22.261 -1.360
121 HZ1 LYS 13 3HZ LYS 13 8.478 -24.142 -3.220
122 HZ2 LYS 13 1HZ LYS 13 7.159 -23.267 -3.818
123 HZ3 LYS 13 2HZ LYS 13 6.988 -24.205 -2.422
124 H LEU 14 H LEU 14 7.651 -16.430 -0.882
125 HA LEU 14 HA LEU 14 7.682 -17.787 1.599
126 HB2 LEU 14 2HB LEU 14 9.510 -16.378 1.070
127 HB3 LEU 14 3HB LEU 14 8.451 -14.998 0.780
128 HG LEU 14 HG LEU 14 8.626 -16.205 3.513
129 HD11 LEU 14 1HD1 LEU 14 10.609 -15.256 4.034
130 HD12 LEU 14 2HD1 LEU 14 10.401 -13.927 2.894
131 HD13 LEU 14 3HD1 LEU 14 10.918 -15.511 2.316
132 HD21 LEU 14 3HD2 LEU 14 8.380 -13.609 3.915
133 HD22 LEU 14 1HD2 LEU 14 6.983 -14.619 3.541
134 HD23 LEU 14 2HD2 LEU 14 7.736 -13.653 2.272
135 H THR 15 H THR 15 6.039 -14.798 0.575
136 HA THR 15 HA THR 15 4.371 -14.937 2.984
137 HB THR 15 HB THR 15 5.463 -12.781 2.558
138 HG1 THR 15 HG1 THR 15 3.714 -11.940 3.383
139 HG21 THR 15 3HG2 THR 15 4.518 -11.423 0.609
140 HG22 THR 15 1HG2 THR 15 3.988 -12.967 -0.056
141 HG23 THR 15 2HG2 THR 15 5.704 -12.668 0.220
142 H HIS 16 H HIS 16 4.090 -16.621 0.509
143 HA HIS 16 HA HIS 16 1.962 -15.886 -1.090
144 HB2 HIS 16 2HB HIS 16 1.661 -18.215 -1.577
145 HB3 HIS 16 3HB HIS 16 3.385 -17.940 -1.346
146 HD1 HIS 16 HD1 HIS 16 3.732 -18.188 1.617
147 HD2 HIS 16 HD2 HIS 16 1.199 -20.669 -0.549
148 HE1 HIS 16 HE1 HIS 16 3.465 -20.262 3.015
149 H ARG 17 H ARG 17 1.965 -16.731 2.247
150 HA ARG 17 HA ARG 17 -0.729 -17.566 2.497
151 HB2 ARG 17 2HB ARG 17 1.318 -16.511 4.427
152 HB3 ARG 17 3HB ARG 17 -0.338 -16.801 4.944
153 HG2 ARG 17 2HG ARG 17 0.009 -18.986 5.110
154 HG3 ARG 17 3HG ARG 17 0.732 -19.065 3.502
155 HD2 ARG 17 2HD ARG 17 2.875 -18.449 4.361
156 HD3 ARG 17 3HD ARG 17 2.194 -18.093 5.948
157 HE ARG 17 HE ARG 17 1.752 -20.802 5.155
158 HH11 ARG 17 1HH1 ARG 17 4.086 -18.612 6.526
159 HH12 ARG 17 2HH1 ARG 17 4.945 -19.853 7.376
160 HH21 ARG 17 1HH2 ARG 17 2.874 -22.445 6.270
161 HH22 ARG 17 2HH2 ARG 17 4.255 -22.033 7.229
162 H LEU 18 H LEU 18 0.786 -14.458 2.257
163 HA LEU 18 HA LEU 18 -1.774 -13.145 2.876
164 HB2 LEU 18 2HB LEU 18 -0.298 -12.145 4.308
165 HB3 LEU 18 3HB LEU 18 1.067 -12.344 3.211
166 HG LEU 18 HG LEU 18 0.244 -10.482 1.850
167 HD11 LEU 18 1HD1 LEU 18 -1.824 -9.696 2.002
168 HD12 LEU 18 2HD1 LEU 18 -1.638 -9.391 3.729
169 HD13 LEU 18 3HD1 LEU 18 -2.173 -10.975 3.166
170 HD21 LEU 18 3HD2 LEU 18 1.798 -10.126 3.768
171 HD22 LEU 18 1HD2 LEU 18 0.400 -9.707 4.758
172 HD23 LEU 18 2HD2 LEU 18 0.818 -8.716 3.360
173 H PHE 19 H PHE 19 0.823 -13.416 0.529
174 HA PHE 19 HA PHE 19 -0.548 -11.585 -1.289
175 HB2 PHE 19 2HB PHE 19 2.183 -12.332 -0.856
176 HB3 PHE 19 3HB PHE 19 1.748 -12.713 -2.519
177 HD1 PHE 19 HD2 PHE 19 0.622 -9.930 -0.322
178 HD2 PHE 19 HD1 PHE 19 2.746 -11.088 -3.824
179 HE1 PHE 19 HE2 PHE 19 0.900 -7.563 -0.932
180 HE2 PHE 19 HE1 PHE 19 3.029 -8.723 -4.438
181 HZ PHE 19 HZ PHE 19 2.105 -6.957 -2.992
182 H ARG 20 H ARG 20 -1.529 -14.315 -0.563
183 HA ARG 20 HA ARG 20 -1.163 -16.203 -2.540
184 HB2 ARG 20 2HB ARG 20 -3.537 -16.915 -2.001
185 HB3 ARG 20 3HB ARG 20 -2.430 -16.818 -0.637
186 HG2 ARG 20 2HG ARG 20 -3.798 -15.427 0.402
187 HG3 ARG 20 3HG ARG 20 -3.708 -14.294 -0.949
188 HD2 ARG 20 2HD ARG 20 -6.003 -14.843 -0.631
189 HD3 ARG 20 3HD ARG 20 -5.463 -15.662 -2.096
190 HE ARG 20 HE ARG 20 -5.801 -17.684 -1.061
191 HH11 ARG 20 1HH1 ARG 20 -5.935 -15.127 1.298
192 HH12 ARG 20 2HH1 ARG 20 -6.521 -16.151 2.566
193 HH21 ARG 20 1HH2 ARG 20 -6.573 -19.042 0.601
194 HH22 ARG 20 2HH2 ARG 20 -6.883 -18.378 2.169
195 H ARG 21 H ARG 21 -3.020 -13.249 -2.634
196 HA ARG 21 HA ARG 21 -4.520 -13.856 -4.971
197 HB2 ARG 21 2HB ARG 21 -5.337 -12.131 -3.540
198 HB3 ARG 21 3HB ARG 21 -3.812 -11.258 -3.612
199 HG2 ARG 21 2HG ARG 21 -4.927 -11.620 -6.247
200 HG3 ARG 21 3HG ARG 21 -6.071 -10.822 -5.166
201 HD2 ARG 21 2HD ARG 21 -4.849 -8.941 -5.072
202 HD3 ARG 21 3HD ARG 21 -3.328 -9.825 -4.952
203 HE ARG 21 HE ARG 21 -4.250 -10.094 -7.564
204 HH11 ARG 21 1HH1 ARG 21 -3.142 -7.577 -5.428
205 HH12 ARG 21 2HH1 ARG 21 -2.513 -6.590 -6.706
206 HH21 ARG 21 1HH2 ARG 21 -3.425 -8.803 -9.254
207 HH22 ARG 21 2HH2 ARG 21 -2.675 -7.288 -8.882
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.964 2.014 -0.841
2 HA ARG 1 HA ARG 1 1.236 -0.363 -1.032
3 HB2 ARG 1 2HB ARG 1 1.503 -0.261 -3.428
4 HB3 ARG 1 3HB ARG 1 0.980 1.314 -2.847
5 HG2 ARG 1 2HG ARG 1 2.667 2.198 -3.975
6 HG3 ARG 1 3HG ARG 1 3.761 1.430 -2.823
7 HD2 ARG 1 2HD ARG 1 4.491 0.756 -4.965
8 HD3 ARG 1 3HD ARG 1 3.642 -0.630 -4.282
9 HE ARG 1 HE ARG 1 1.896 0.979 -5.840
10 HH11 ARG 1 1HH1 ARG 1 4.440 -1.385 -6.082
11 HH12 ARG 1 2HH1 ARG 1 3.915 -1.983 -7.621
12 HH21 ARG 1 1HH2 ARG 1 1.195 0.200 -7.866
13 HH22 ARG 1 2HH2 ARG 1 2.070 -1.081 -8.635
14 H TRP 2 H TRP 2 2.209 -2.263 -2.092
15 HA TRP 2 HA TRP 2 4.808 -2.797 -0.954
16 HB2 TRP 2 2HB TRP 2 2.569 -4.339 -1.488
17 HB3 TRP 2 3HB TRP 2 3.727 -4.868 -2.705
18 HD1 TRP 2 HD1 TRP 2 6.395 -4.948 -1.174
19 HE1 TRP 2 HE1 TRP 2 6.774 -6.567 0.790
20 HE3 TRP 2 HE3 TRP 2 1.524 -5.831 0.101
21 HZ2 TRP 2 HZ2 TRP 2 5.214 -8.027 2.636
22 HZ3 TRP 2 HZ3 TRP 2 1.053 -7.352 1.977
23 HH2 TRP 2 HH2 TRP 2 2.861 -8.427 3.217
24 H SER 3 H SER 3 6.461 -1.881 -2.036
25 HA SER 3 HA SER 3 6.515 -1.989 -4.953
26 HB2 SER 3 2HB SER 3 8.857 -0.757 -4.160
27 HB3 SER 3 3HB SER 3 7.360 0.069 -4.594
28 HG SER 3 HG SER 3 7.087 0.595 -2.578
29 H ILE 4 H ILE 4 6.884 -4.217 -5.234
30 HA ILE 4 HA ILE 4 9.596 -5.097 -4.482
31 HB ILE 4 HB ILE 4 8.670 -7.444 -4.667
32 HG12 ILE 4 2HG1 ILE 4 6.515 -6.389 -5.801
33 HG13 ILE 4 3HG1 ILE 4 6.417 -7.862 -4.843
34 HG21 ILE 4 1HG2 ILE 4 9.175 -6.418 -2.523
35 HG22 ILE 4 2HG2 ILE 4 7.585 -5.658 -2.494
36 HG23 ILE 4 3HG2 ILE 4 7.724 -7.413 -2.402
37 HD11 ILE 4 3HD1 ILE 4 4.690 -6.000 -4.457
38 HD12 ILE 4 1HD1 ILE 4 5.422 -6.783 -3.057
39 HD13 ILE 4 2HD1 ILE 4 5.986 -5.194 -3.574
40 H THR 5 H THR 5 10.648 -4.534 -6.347
41 HA THR 5 HA THR 5 9.667 -4.879 -8.956
42 HB THR 5 HB THR 5 12.058 -4.699 -9.667
43 HG1 THR 5 HG1 THR 5 12.743 -4.205 -6.982
44 HG21 THR 5 3HG2 THR 5 11.969 -2.461 -9.430
45 HG22 THR 5 1HG2 THR 5 11.852 -2.553 -7.674
46 HG23 THR 5 2HG2 THR 5 10.410 -2.772 -8.667
47 H THR 6 H THR 6 12.548 -6.614 -7.868
48 HA THR 6 HA THR 6 11.613 -8.970 -9.334
49 HB THR 6 HB THR 6 14.288 -7.922 -8.574
50 HG1 THR 6 HG1 THR 6 13.246 -7.911 -10.739
51 HG21 THR 6 3HG2 THR 6 13.677 -10.863 -8.865
52 HG22 THR 6 1HG2 THR 6 14.383 -10.055 -7.466
53 HG23 THR 6 2HG2 THR 6 15.296 -10.171 -8.971
54 H ILE 7 H ILE 7 12.591 -7.919 -6.130
55 HA ILE 7 HA ILE 7 12.886 -10.328 -4.819
56 HB ILE 7 HB ILE 7 13.057 -7.862 -3.946
57 HG12 ILE 7 2HG1 ILE 7 12.020 -9.916 -2.003
58 HG13 ILE 7 3HG1 ILE 7 13.588 -10.096 -2.784
59 HG21 ILE 7 1HG2 ILE 7 10.611 -7.465 -4.237
60 HG22 ILE 7 2HG2 ILE 7 10.324 -8.607 -2.926
61 HG23 ILE 7 3HG2 ILE 7 11.214 -7.117 -2.617
62 HD11 ILE 7 3HD1 ILE 7 13.266 -8.921 -0.420
63 HD12 ILE 7 1HD1 ILE 7 14.537 -8.461 -1.553
64 HD13 ILE 7 2HD1 ILE 7 13.052 -7.513 -1.460
65 H HIS 8 H HIS 8 10.027 -8.930 -6.129
66 HA HIS 8 HA HIS 8 7.984 -9.942 -4.612
67 HB2 HIS 8 2HB HIS 8 7.868 -8.552 -6.766
68 HB3 HIS 8 3HB HIS 8 7.923 -10.091 -7.621
69 HD1 HIS 8 HD1 HIS 8 5.468 -8.656 -8.194
70 HD2 HIS 8 HD2 HIS 8 5.822 -10.948 -4.747
71 HE1 HIS 8 HE1 HIS 8 3.111 -9.179 -7.490
72 H ASN 9 H ASN 9 10.216 -11.681 -6.618
73 HA ASN 9 HA ASN 9 8.718 -14.074 -6.891
74 HB2 ASN 9 2HB ASN 9 11.298 -13.106 -7.672
75 HB3 ASN 9 3HB ASN 9 11.490 -14.687 -6.919
76 HD21 ASN 9 1HD2 ASN 9 11.091 -16.427 -8.100
77 HD22 ASN 9 2HD2 ASN 9 10.311 -16.437 -9.642
78 H LEU 10 H LEU 10 11.227 -13.041 -4.604
79 HA LEU 10 HA LEU 10 11.234 -15.479 -3.135
80 HB2 LEU 10 2HB LEU 10 13.175 -14.141 -3.018
81 HB3 LEU 10 3HB LEU 10 12.252 -12.712 -2.558
82 HG LEU 10 HG LEU 10 11.839 -13.652 -0.359
83 HD11 LEU 10 1HD1 LEU 10 13.558 -15.808 -0.136
84 HD12 LEU 10 2HD1 LEU 10 12.709 -16.091 -1.655
85 HD13 LEU 10 3HD1 LEU 10 11.796 -15.866 -0.163
86 HD21 LEU 10 3HD2 LEU 10 14.769 -14.000 -0.913
87 HD22 LEU 10 1HD2 LEU 10 13.986 -13.361 0.532
88 HD23 LEU 10 2HD2 LEU 10 13.992 -12.417 -0.957
89 H PHE 11 H PHE 11 9.025 -12.956 -3.313
90 HA PHE 11 HA PHE 11 8.019 -13.410 -0.596
91 HB2 PHE 11 2HB PHE 11 7.666 -11.223 -2.606
92 HB3 PHE 11 3HB PHE 11 6.418 -11.476 -1.390
93 HD1 PHE 11 HD1 PHE 11 6.913 -11.147 0.984
94 HD2 PHE 11 HD2 PHE 11 9.799 -10.318 -2.033
95 HE1 PHE 11 HE1 PHE 11 8.228 -9.844 2.605
96 HE2 PHE 11 HE2 PHE 11 11.119 -9.015 -0.416
97 HZ PHE 11 HZ PHE 11 10.334 -8.777 1.906
98 H ARG 12 H ARG 12 7.000 -13.472 -3.987
99 HA ARG 12 HA ARG 12 4.354 -14.108 -3.777
100 HB2 ARG 12 2HB ARG 12 4.457 -14.882 -5.955
101 HB3 ARG 12 3HB ARG 12 5.907 -13.892 -5.863
102 HG2 ARG 12 2HG ARG 12 7.093 -16.095 -5.226
103 HG3 ARG 12 3HG ARG 12 5.656 -16.869 -5.899
104 HD2 ARG 12 2HD ARG 12 6.882 -14.744 -7.540
105 HD3 ARG 12 3HD ARG 12 7.826 -16.221 -7.353
106 HE ARG 12 HE ARG 12 5.145 -16.824 -8.043
107 HH11 ARG 12 1HH1 ARG 12 8.129 -15.628 -9.378
108 HH12 ARG 12 2HH1 ARG 12 7.784 -16.180 -10.983
109 HH21 ARG 12 1HH2 ARG 12 4.679 -17.556 -10.152
110 HH22 ARG 12 2HH2 ARG 12 5.821 -17.276 -11.423
111 H LYS 13 H LYS 13 7.074 -16.089 -2.943
112 HA LYS 13 HA LYS 13 5.321 -18.409 -2.525
113 HB2 LYS 13 2HB LYS 13 7.407 -18.708 -3.874
114 HB3 LYS 13 3HB LYS 13 8.341 -18.302 -2.440
115 HG2 LYS 13 2HG LYS 13 8.169 -20.733 -2.872
116 HG3 LYS 13 3HG LYS 13 7.549 -20.246 -1.293
117 HD2 LYS 13 2HD LYS 13 5.275 -20.363 -2.108
118 HD3 LYS 13 3HD LYS 13 5.847 -20.717 -3.740
119 HE2 LYS 13 2HE LYS 13 5.210 -22.794 -2.838
120 HE3 LYS 13 3HE LYS 13 6.970 -22.764 -2.739
121 HZ1 LYS 13 3HZ LYS 13 5.736 -23.567 -0.707
122 HZ2 LYS 13 1HZ LYS 13 5.251 -21.964 -0.466
123 HZ3 LYS 13 2HZ LYS 13 6.895 -22.363 -0.445
124 H LEU 14 H LEU 14 7.661 -16.319 -0.898
125 HA LEU 14 HA LEU 14 7.579 -17.621 1.608
126 HB2 LEU 14 2HB LEU 14 9.402 -16.214 1.284
127 HB3 LEU 14 3HB LEU 14 8.398 -14.894 0.687
128 HG LEU 14 HG LEU 14 7.758 -14.253 2.846
129 HD11 LEU 14 1HD1 LEU 14 8.334 -17.054 3.497
130 HD12 LEU 14 2HD1 LEU 14 7.122 -15.957 4.158
131 HD13 LEU 14 3HD1 LEU 14 8.784 -15.893 4.746
132 HD21 LEU 14 3HD2 LEU 14 9.948 -14.175 4.124
133 HD22 LEU 14 1HD2 LEU 14 9.964 -13.509 2.491
134 HD23 LEU 14 2HD2 LEU 14 10.639 -15.110 2.797
135 H THR 15 H THR 15 5.951 -14.664 0.464
136 HA THR 15 HA THR 15 4.165 -14.776 2.779
137 HB THR 15 HB THR 15 5.171 -12.602 2.292
138 HG1 THR 15 HG1 THR 15 3.145 -12.446 3.190
139 HG21 THR 15 3HG2 THR 15 4.274 -11.404 0.206
140 HG22 THR 15 1HG2 THR 15 3.892 -13.016 -0.396
141 HG23 THR 15 2HG2 THR 15 5.562 -12.587 -0.022
142 H HIS 16 H HIS 16 4.096 -16.527 0.273
143 HA HIS 16 HA HIS 16 1.958 -15.968 -1.369
144 HB2 HIS 16 2HB HIS 16 1.859 -18.290 -1.873
145 HB3 HIS 16 3HB HIS 16 3.545 -17.940 -1.506
146 HD1 HIS 16 HD1 HIS 16 1.470 -20.596 -1.064
147 HD2 HIS 16 HD2 HIS 16 3.632 -18.336 1.671
148 HE1 HIS 16 HE1 HIS 16 1.743 -22.067 0.957
149 H ARG 17 H ARG 17 1.937 -16.839 1.974
150 HA ARG 17 HA ARG 17 -0.697 -17.828 2.175
151 HB2 ARG 17 2HB ARG 17 1.136 -16.515 4.178
152 HB3 ARG 17 3HB ARG 17 -0.459 -17.116 4.607
153 HG2 ARG 17 2HG ARG 17 0.259 -19.215 4.723
154 HG3 ARG 17 3HG ARG 17 1.104 -19.094 3.178
155 HD2 ARG 17 2HD ARG 17 2.773 -19.531 4.784
156 HD3 ARG 17 3HD ARG 17 2.900 -17.810 4.421
157 HE ARG 17 HE ARG 17 1.219 -18.369 6.676
158 HH11 ARG 17 1HH1 ARG 17 4.502 -17.887 5.622
159 HH12 ARG 17 2HH1 ARG 17 5.065 -17.376 7.179
160 HH21 ARG 17 1HH2 ARG 17 1.948 -17.698 8.731
161 HH22 ARG 17 2HH2 ARG 17 3.612 -17.270 8.947
162 H LEU 18 H LEU 18 0.602 -14.616 1.951
163 HA LEU 18 HA LEU 18 -2.072 -13.491 2.451
164 HB2 LEU 18 2HB LEU 18 -0.738 -12.383 3.942
165 HB3 LEU 18 3HB LEU 18 0.685 -12.483 2.907
166 HG LEU 18 HG LEU 18 -0.229 -10.694 1.495
167 HD11 LEU 18 1HD1 LEU 18 -2.336 -9.997 1.607
168 HD12 LEU 18 2HD1 LEU 18 -2.242 -9.771 3.354
169 HD13 LEU 18 3HD1 LEU 18 -2.644 -11.355 2.690
170 HD21 LEU 18 3HD2 LEU 18 -0.264 -9.814 4.370
171 HD22 LEU 18 1HD2 LEU 18 0.270 -8.910 2.953
172 HD23 LEU 18 2HD2 LEU 18 1.218 -10.280 3.533
173 H PHE 19 H PHE 19 0.710 -13.417 0.275
174 HA PHE 19 HA PHE 19 -0.779 -11.795 -1.642
175 HB2 PHE 19 2HB PHE 19 1.986 -12.147 -1.016
176 HB3 PHE 19 3HB PHE 19 1.735 -12.603 -2.697
177 HD1 PHE 19 HD2 PHE 19 -0.279 -10.796 -3.649
178 HD2 PHE 19 HD1 PHE 19 2.933 -10.056 -0.956
179 HE1 PHE 19 HE2 PHE 19 -0.293 -8.421 -4.291
180 HE2 PHE 19 HE1 PHE 19 2.924 -7.680 -1.593
181 HZ PHE 19 HZ PHE 19 1.311 -6.859 -3.263
182 H ARG 20 H ARG 20 -1.582 -14.541 -1.040
183 HA ARG 20 HA ARG 20 -0.800 -16.443 -2.870
184 HB2 ARG 20 2HB ARG 20 -3.220 -17.266 -2.686
185 HB3 ARG 20 3HB ARG 20 -2.290 -17.148 -1.198
186 HG2 ARG 20 2HG ARG 20 -3.702 -14.690 -1.762
187 HG3 ARG 20 3HG ARG 20 -4.795 -16.074 -1.686
188 HD2 ARG 20 2HD ARG 20 -2.716 -15.517 0.416
189 HD3 ARG 20 3HD ARG 20 -4.350 -14.861 0.494
190 HE ARG 20 HE ARG 20 -3.543 -17.549 1.057
191 HH11 ARG 20 1HH1 ARG 20 -6.173 -15.553 -0.047
192 HH12 ARG 20 2HH1 ARG 20 -7.401 -16.671 0.445
193 HH21 ARG 20 1HH2 ARG 20 -5.151 -19.030 1.710
194 HH22 ARG 20 2HH2 ARG 20 -6.819 -18.648 1.446
195 H ARG 21 H ARG 21 -2.843 -13.649 -3.350
196 HA ARG 21 HA ARG 21 -4.099 -14.307 -5.735
197 HB2 ARG 21 2HB ARG 21 -3.183 -11.704 -4.556
198 HB3 ARG 21 3HB ARG 21 -3.901 -11.747 -6.161
199 HG2 ARG 21 2HG ARG 21 -5.969 -12.451 -5.349
200 HG3 ARG 21 3HG ARG 21 -5.287 -12.975 -3.807
201 HD2 ARG 21 2HD ARG 21 -4.939 -10.718 -3.113
202 HD3 ARG 21 3HD ARG 21 -5.341 -10.104 -4.717
203 HE ARG 21 HE ARG 21 -7.592 -11.404 -3.974
204 HH11 ARG 21 1HH1 ARG 21 -5.619 -8.976 -2.446
205 HH12 ARG 21 2HH1 ARG 21 -6.939 -8.262 -1.580
206 HH21 ARG 21 1HH2 ARG 21 -9.338 -10.472 -2.840
207 HH22 ARG 21 2HH2 ARG 21 -9.054 -9.114 -1.805
Start of MODEL 13
1 H1 ARG 1 H ARG 1 3.863 2.074 -0.845
2 HA ARG 1 HA ARG 1 1.918 -0.132 -1.031
3 HB2 ARG 1 2HB ARG 1 2.559 1.750 -2.961
4 HB3 ARG 1 3HB ARG 1 3.512 0.347 -3.427
5 HG2 ARG 1 2HG ARG 1 1.655 -0.950 -3.834
6 HG3 ARG 1 3HG ARG 1 0.624 0.008 -2.770
7 HD2 ARG 1 2HD ARG 1 1.669 1.605 -4.938
8 HD3 ARG 1 3HD ARG 1 0.813 0.188 -5.545
9 HE ARG 1 HE ARG 1 -0.343 2.488 -4.345
10 HH11 ARG 1 1HH1 ARG 1 -0.694 -0.963 -4.632
11 HH12 ARG 1 2HH1 ARG 1 -2.406 -0.943 -4.365
12 HH21 ARG 1 1HH2 ARG 1 -2.597 2.529 -3.993
13 HH22 ARG 1 2HH2 ARG 1 -3.487 1.044 -4.003
14 H TRP 2 H TRP 2 3.142 -1.869 -2.649
15 HA TRP 2 HA TRP 2 5.511 -2.656 -1.098
16 HB2 TRP 2 2HB TRP 2 3.211 -4.077 -1.710
17 HB3 TRP 2 3HB TRP 2 4.393 -4.696 -2.860
18 HD1 TRP 2 HD1 TRP 2 6.971 -4.963 -1.252
19 HE1 TRP 2 HE1 TRP 2 7.164 -6.535 0.777
20 HE3 TRP 2 HE3 TRP 2 2.014 -5.381 -0.075
21 HZ2 TRP 2 HZ2 TRP 2 5.442 -7.787 2.631
22 HZ3 TRP 2 HZ3 TRP 2 1.370 -6.785 1.841
23 HH2 TRP 2 HH2 TRP 2 3.051 -7.963 3.164
24 H SER 3 H SER 3 7.244 -1.819 -2.129
25 HA SER 3 HA SER 3 7.423 -1.969 -5.033
26 HB2 SER 3 2HB SER 3 9.200 -0.694 -2.945
27 HB3 SER 3 3HB SER 3 9.577 -0.706 -4.667
28 HG SER 3 HG SER 3 8.491 1.209 -4.038
29 H ILE 4 H ILE 4 7.637 -4.210 -5.324
30 HA ILE 4 HA ILE 4 10.205 -5.330 -4.407
31 HB ILE 4 HB ILE 4 9.110 -7.580 -4.782
32 HG12 ILE 4 2HG1 ILE 4 7.164 -6.298 -6.052
33 HG13 ILE 4 3HG1 ILE 4 6.856 -7.793 -5.176
34 HG21 ILE 4 1HG2 ILE 4 9.499 -6.691 -2.557
35 HG22 ILE 4 2HG2 ILE 4 7.988 -5.787 -2.634
36 HG23 ILE 4 3HG2 ILE 4 7.960 -7.550 -2.611
37 HD11 ILE 4 3HD1 ILE 4 6.538 -5.152 -3.820
38 HD12 ILE 4 1HD1 ILE 4 5.266 -5.794 -4.859
39 HD13 ILE 4 2HD1 ILE 4 5.789 -6.703 -3.441
40 H THR 5 H THR 5 11.439 -4.727 -6.161
41 HA THR 5 HA THR 5 10.722 -4.859 -8.848
42 HB THR 5 HB THR 5 12.679 -3.708 -8.642
43 HG1 THR 5 HG1 THR 5 14.387 -5.006 -9.473
44 HG21 THR 5 3HG2 THR 5 14.607 -4.932 -7.213
45 HG22 THR 5 1HG2 THR 5 13.178 -5.571 -6.403
46 HG23 THR 5 2HG2 THR 5 13.428 -3.828 -6.506
47 H THR 6 H THR 6 13.124 -7.082 -7.471
48 HA THR 6 HA THR 6 11.981 -9.214 -9.148
49 HB THR 6 HB THR 6 14.769 -8.523 -8.388
50 HG1 THR 6 HG1 THR 6 13.789 -9.900 -10.672
51 HG21 THR 6 3HG2 THR 6 13.787 -11.355 -8.727
52 HG22 THR 6 1HG2 THR 6 14.650 -10.675 -7.348
53 HG23 THR 6 2HG2 THR 6 15.477 -10.878 -8.893
54 H ILE 7 H ILE 7 12.964 -8.342 -5.916
55 HA ILE 7 HA ILE 7 13.064 -10.795 -4.653
56 HB ILE 7 HB ILE 7 13.363 -8.355 -3.724
57 HG12 ILE 7 2HG1 ILE 7 12.168 -10.367 -1.833
58 HG13 ILE 7 3HG1 ILE 7 13.719 -10.664 -2.612
59 HG21 ILE 7 1HG2 ILE 7 10.938 -7.833 -4.058
60 HG22 ILE 7 2HG2 ILE 7 10.578 -8.968 -2.758
61 HG23 ILE 7 3HG2 ILE 7 11.540 -7.527 -2.429
62 HD11 ILE 7 3HD1 ILE 7 14.422 -8.403 -1.665
63 HD12 ILE 7 1HD1 ILE 7 12.990 -8.530 -0.644
64 HD13 ILE 7 2HD1 ILE 7 14.258 -9.751 -0.540
65 H HIS 8 H HIS 8 10.357 -9.212 -6.048
66 HA HIS 8 HA HIS 8 8.198 -10.099 -4.606
67 HB2 HIS 8 2HB HIS 8 8.200 -8.664 -6.705
68 HB3 HIS 8 3HB HIS 8 8.279 -10.165 -7.623
69 HD1 HIS 8 HD1 HIS 8 5.897 -8.829 -8.389
70 HD2 HIS 8 HD2 HIS 8 5.985 -10.929 -4.805
71 HE1 HIS 8 HE1 HIS 8 3.491 -9.290 -7.821
72 H ASN 9 H ASN 9 10.380 -11.955 -6.562
73 HA ASN 9 HA ASN 9 8.726 -14.247 -6.887
74 HB2 ASN 9 2HB ASN 9 11.401 -13.441 -7.606
75 HB3 ASN 9 3HB ASN 9 11.416 -15.076 -6.952
76 HD21 ASN 9 1HD2 ASN 9 9.396 -13.114 -9.116
77 HD22 ASN 9 2HD2 ASN 9 9.213 -14.334 -10.325
78 H LEU 10 H LEU 10 11.187 -13.307 -4.529
79 HA LEU 10 HA LEU 10 11.053 -15.791 -3.099
80 HB2 LEU 10 2HB LEU 10 13.099 -14.554 -3.049
81 HB3 LEU 10 3HB LEU 10 12.276 -13.119 -2.442
82 HG LEU 10 HG LEU 10 11.932 -14.156 -0.300
83 HD11 LEU 10 1HD1 LEU 10 13.259 -16.606 -1.450
84 HD12 LEU 10 2HD1 LEU 10 11.538 -16.443 -1.104
85 HD13 LEU 10 3HD1 LEU 10 12.710 -16.392 0.213
86 HD21 LEU 10 3HD2 LEU 10 14.020 -13.070 -0.440
87 HD22 LEU 10 1HD2 LEU 10 14.727 -14.380 -1.387
88 HD23 LEU 10 2HD2 LEU 10 14.345 -14.630 0.317
89 H PHE 11 H PHE 11 8.951 -13.256 -3.346
90 HA PHE 11 HA PHE 11 7.953 -13.594 -0.598
91 HB2 PHE 11 2HB PHE 11 7.861 -11.326 -2.538
92 HB3 PHE 11 3HB PHE 11 6.541 -11.495 -1.385
93 HD1 PHE 11 HD1 PHE 11 10.137 -10.877 -1.771
94 HD2 PHE 11 HD2 PHE 11 6.864 -11.062 0.944
95 HE1 PHE 11 HE1 PHE 11 11.501 -9.759 -0.056
96 HE2 PHE 11 HE2 PHE 11 8.223 -9.943 2.663
97 HZ PHE 11 HZ PHE 11 10.544 -9.289 2.164
98 H ARG 12 H ARG 12 6.963 -13.484 -3.995
99 HA ARG 12 HA ARG 12 4.262 -13.867 -3.807
100 HB2 ARG 12 2HB ARG 12 4.318 -14.797 -5.995
101 HB3 ARG 12 3HB ARG 12 5.638 -13.637 -5.912
102 HG2 ARG 12 2HG ARG 12 6.745 -15.345 -6.896
103 HG3 ARG 12 3HG ARG 12 6.988 -15.815 -5.212
104 HD2 ARG 12 2HD ARG 12 6.073 -17.774 -5.747
105 HD3 ARG 12 3HD ARG 12 4.536 -16.919 -5.872
106 HE ARG 12 HE ARG 12 5.667 -16.568 -8.314
107 HH11 ARG 12 1HH1 ARG 12 4.978 -19.354 -6.344
108 HH12 ARG 12 2HH1 ARG 12 4.743 -20.414 -7.695
109 HH21 ARG 12 1HH2 ARG 12 5.359 -17.953 -10.101
110 HH22 ARG 12 2HH2 ARG 12 4.961 -19.615 -9.831
111 H LYS 13 H LYS 13 6.784 -16.110 -3.023
112 HA LYS 13 HA LYS 13 4.813 -18.263 -2.662
113 HB2 LYS 13 2HB LYS 13 7.105 -18.461 -3.989
114 HB3 LYS 13 3HB LYS 13 7.744 -18.740 -2.375
115 HG2 LYS 13 2HG LYS 13 5.809 -20.484 -2.222
116 HG3 LYS 13 3HG LYS 13 5.865 -20.402 -3.984
117 HD2 LYS 13 2HD LYS 13 8.516 -20.622 -3.314
118 HD3 LYS 13 3HD LYS 13 7.730 -21.632 -2.098
119 HE2 LYS 13 2HE LYS 13 6.539 -22.817 -3.915
120 HE3 LYS 13 3HE LYS 13 7.431 -21.853 -5.092
121 HZ1 LYS 13 3HZ LYS 13 8.274 -24.157 -3.609
122 HZ2 LYS 13 1HZ LYS 13 9.377 -22.879 -3.500
123 HZ3 LYS 13 2HZ LYS 13 8.927 -23.481 -5.015
124 H LEU 14 H LEU 14 7.368 -16.456 -1.027
125 HA LEU 14 HA LEU 14 7.216 -17.833 1.438
126 HB2 LEU 14 2HB LEU 14 9.157 -16.555 0.988
127 HB3 LEU 14 3HB LEU 14 8.211 -15.100 0.679
128 HG LEU 14 HG LEU 14 8.205 -16.342 3.402
129 HD11 LEU 14 1HD1 LEU 14 10.582 -15.989 2.498
130 HD12 LEU 14 2HD1 LEU 14 10.167 -15.273 4.055
131 HD13 LEU 14 3HD1 LEU 14 10.216 -14.267 2.608
132 HD21 LEU 14 3HD2 LEU 14 7.537 -13.723 2.162
133 HD22 LEU 14 1HD2 LEU 14 8.130 -13.737 3.823
134 HD23 LEU 14 2HD2 LEU 14 6.678 -14.644 3.398
135 H THR 15 H THR 15 5.828 -14.725 0.392
136 HA THR 15 HA THR 15 4.071 -14.764 2.741
137 HB THR 15 HB THR 15 5.329 -12.689 2.376
138 HG1 THR 15 HG1 THR 15 3.506 -12.090 3.323
139 HG21 THR 15 3HG2 THR 15 4.549 -11.250 0.410
140 HG22 THR 15 1HG2 THR 15 3.938 -12.748 -0.290
141 HG23 THR 15 2HG2 THR 15 5.660 -12.571 0.050
142 H HIS 16 H HIS 16 3.758 -16.400 0.236
143 HA HIS 16 HA HIS 16 1.745 -15.501 -1.425
144 HB2 HIS 16 2HB HIS 16 1.307 -17.791 -1.962
145 HB3 HIS 16 3HB HIS 16 3.033 -17.655 -1.640
146 HD1 HIS 16 HD1 HIS 16 3.187 -17.951 1.344
147 HD2 HIS 16 HD2 HIS 16 0.623 -20.224 -1.006
148 HE1 HIS 16 HE1 HIS 16 2.693 -20.016 2.692
149 H ARG 17 H ARG 17 1.571 -16.378 1.900
150 HA ARG 17 HA ARG 17 -1.182 -17.019 2.049
151 HB2 ARG 17 2HB ARG 17 -0.922 -16.579 4.476
152 HB3 ARG 17 3HB ARG 17 0.318 -17.649 3.837
153 HG2 ARG 17 2HG ARG 17 1.952 -15.931 3.890
154 HG3 ARG 17 3HG ARG 17 0.733 -14.698 4.224
155 HD2 ARG 17 2HD ARG 17 0.256 -15.826 6.379
156 HD3 ARG 17 3HD ARG 17 1.574 -16.949 6.046
157 HE ARG 17 HE ARG 17 2.404 -14.216 5.925
158 HH11 ARG 17 1HH1 ARG 17 1.750 -16.874 8.076
159 HH12 ARG 17 2HH1 ARG 17 2.807 -16.297 9.321
160 HH21 ARG 17 1HH2 ARG 17 3.800 -13.446 7.556
161 HH22 ARG 17 2HH2 ARG 17 3.972 -14.346 9.025
162 H LEU 18 H LEU 18 0.557 -14.024 1.899
163 HA LEU 18 HA LEU 18 -1.926 -12.539 2.441
164 HB2 LEU 18 2HB LEU 18 -0.436 -11.658 3.935
165 HB3 LEU 18 3HB LEU 18 0.951 -11.944 2.885
166 HG LEU 18 HG LEU 18 0.308 -10.016 1.517
167 HD11 LEU 18 1HD1 LEU 18 -1.701 -9.081 1.610
168 HD12 LEU 18 2HD1 LEU 18 -1.558 -8.816 3.347
169 HD13 LEU 18 3HD1 LEU 18 -2.182 -10.348 2.738
170 HD21 LEU 18 3HD2 LEU 18 0.962 -8.313 3.060
171 HD22 LEU 18 1HD2 LEU 18 1.813 -9.794 3.497
172 HD23 LEU 18 2HD2 LEU 18 0.414 -9.272 4.435
173 H PHE 19 H PHE 19 0.726 -12.977 0.183
174 HA PHE 19 HA PHE 19 -0.443 -11.035 -1.662
175 HB2 PHE 19 2HB PHE 19 2.209 -11.979 -1.141
176 HB3 PHE 19 3HB PHE 19 1.808 -12.318 -2.821
177 HD1 PHE 19 HD1 PHE 19 0.807 -9.475 -0.641
178 HD2 PHE 19 HD2 PHE 19 2.964 -10.761 -4.078
179 HE1 PHE 19 HE1 PHE 19 1.275 -7.130 -1.220
180 HE2 PHE 19 HE2 PHE 19 3.436 -8.418 -4.662
181 HZ PHE 19 HZ PHE 19 2.592 -6.599 -3.232
182 H ARG 20 H ARG 20 -1.651 -13.686 -1.002
183 HA ARG 20 HA ARG 20 -1.350 -15.582 -2.983
184 HB2 ARG 20 2HB ARG 20 -2.757 -15.877 -0.979
185 HB3 ARG 20 3HB ARG 20 -3.932 -14.752 -1.647
186 HG2 ARG 20 2HG ARG 20 -4.732 -16.963 -2.013
187 HG3 ARG 20 3HG ARG 20 -4.224 -16.306 -3.571
188 HD2 ARG 20 2HD ARG 20 -2.740 -17.939 -3.849
189 HD3 ARG 20 3HD ARG 20 -2.029 -17.633 -2.265
190 HE ARG 20 HE ARG 20 -3.919 -19.688 -2.951
191 HH11 ARG 20 1HH1 ARG 20 -2.625 -17.728 -0.381
192 HH12 ARG 20 2HH1 ARG 20 -3.058 -18.849 0.867
193 HH21 ARG 20 1HH2 ARG 20 -4.494 -21.171 -1.317
194 HH22 ARG 20 2HH2 ARG 20 -4.120 -20.807 0.334
195 H ARG 21 H ARG 21 -2.965 -12.494 -3.120
196 HA ARG 21 HA ARG 21 -3.904 -13.084 -5.842
197 HB2 ARG 21 2HB ARG 21 -4.797 -11.177 -3.720
198 HB3 ARG 21 3HB ARG 21 -5.090 -10.770 -5.406
199 HG2 ARG 21 2HG ARG 21 -6.959 -11.952 -5.244
200 HG3 ARG 21 3HG ARG 21 -5.941 -13.393 -5.198
201 HD2 ARG 21 2HD ARG 21 -7.382 -13.532 -3.326
202 HD3 ARG 21 3HD ARG 21 -5.799 -13.068 -2.702
203 HE ARG 21 HE ARG 21 -6.706 -11.097 -1.989
204 HH11 ARG 21 1HH1 ARG 21 -8.837 -12.535 -4.336
205 HH12 ARG 21 2HH1 ARG 21 -10.100 -11.374 -4.094
206 HH21 ARG 21 1HH2 ARG 21 -8.362 -9.562 -1.661
207 HH22 ARG 21 2HH2 ARG 21 -9.828 -9.683 -2.572
Start of MODEL 14
1 H1 ARG 1 H ARG 1 2.544 0.468 0.032
2 HA ARG 1 HA ARG 1 1.033 -1.270 -1.757
3 HB2 ARG 1 2HB ARG 1 2.450 1.243 -2.599
4 HB3 ARG 1 3HB ARG 1 2.263 -0.103 -3.714
5 HG2 ARG 1 2HG ARG 1 -0.141 0.034 -3.540
6 HG3 ARG 1 3HG ARG 1 -0.005 1.303 -2.321
7 HD2 ARG 1 2HD ARG 1 -0.521 2.239 -4.514
8 HD3 ARG 1 3HD ARG 1 1.066 2.765 -3.955
9 HE ARG 1 HE ARG 1 1.240 0.439 -5.589
10 HH11 ARG 1 1HH1 ARG 1 0.848 3.897 -5.684
11 HH12 ARG 1 2HH1 ARG 1 1.523 4.061 -7.271
12 HH21 ARG 1 1HH2 ARG 1 2.131 0.642 -7.679
13 HH22 ARG 1 2HH2 ARG 1 2.252 2.208 -8.405
14 H TRP 2 H TRP 2 2.124 -3.114 -1.709
15 HA TRP 2 HA TRP 2 4.796 -3.384 -0.887
16 HB2 TRP 2 2HB TRP 2 2.688 -5.107 -1.372
17 HB3 TRP 2 3HB TRP 2 3.853 -5.543 -2.619
18 HD1 TRP 2 HD1 TRP 2 6.555 -5.359 -1.118
19 HE1 TRP 2 HE1 TRP 2 7.114 -6.958 0.820
20 HE3 TRP 2 HE3 TRP 2 1.810 -6.740 0.190
21 HZ2 TRP 2 HZ2 TRP 2 5.727 -8.589 2.659
22 HZ3 TRP 2 HZ3 TRP 2 1.512 -8.324 2.049
23 HH2 TRP 2 HH2 TRP 2 3.432 -9.228 3.256
24 H SER 3 H SER 3 6.324 -2.291 -2.005
25 HA SER 3 HA SER 3 6.365 -2.434 -4.918
26 HB2 SER 3 2HB SER 3 8.329 -0.972 -3.151
27 HB3 SER 3 3HB SER 3 7.976 -0.680 -4.854
28 HG SER 3 HG SER 3 6.918 0.573 -2.880
29 H ILE 4 H ILE 4 6.922 -4.622 -5.193
30 HA ILE 4 HA ILE 4 9.709 -5.260 -4.475
31 HB ILE 4 HB ILE 4 8.987 -7.680 -4.619
32 HG12 ILE 4 2HG1 ILE 4 6.736 -6.846 -5.732
33 HG13 ILE 4 3HG1 ILE 4 6.771 -8.293 -4.731
34 HG21 ILE 4 1HG2 ILE 4 9.436 -6.576 -2.497
35 HG22 ILE 4 2HG2 ILE 4 7.780 -5.976 -2.444
36 HG23 ILE 4 3HG2 ILE 4 8.093 -7.708 -2.338
37 HD11 ILE 4 3HD1 ILE 4 5.700 -7.257 -2.971
38 HD12 ILE 4 1HD1 ILE 4 6.154 -5.640 -3.512
39 HD13 ILE 4 2HD1 ILE 4 4.909 -6.543 -4.377
40 H THR 5 H THR 5 10.675 -4.629 -6.366
41 HA THR 5 HA THR 5 9.728 -4.979 -8.953
42 HB THR 5 HB THR 5 11.549 -3.604 -8.981
43 HG1 THR 5 HG1 THR 5 13.351 -4.790 -9.885
44 HG21 THR 5 3HG2 THR 5 13.741 -4.557 -7.734
45 HG22 THR 5 1HG2 THR 5 12.481 -5.309 -6.757
46 HG23 THR 5 2HG2 THR 5 12.528 -3.556 -6.938
47 H THR 6 H THR 6 12.530 -6.832 -7.822
48 HA THR 6 HA THR 6 11.509 -9.143 -9.321
49 HB THR 6 HB THR 6 14.242 -8.150 -8.699
50 HG1 THR 6 HG1 THR 6 14.381 -8.308 -10.821
51 HG21 THR 6 3HG2 THR 6 13.560 -11.074 -9.001
52 HG22 THR 6 1HG2 THR 6 14.343 -10.302 -7.623
53 HG23 THR 6 2HG2 THR 6 15.184 -10.409 -9.170
54 H ILE 7 H ILE 7 12.672 -8.118 -6.172
55 HA ILE 7 HA ILE 7 13.005 -10.533 -4.883
56 HB ILE 7 HB ILE 7 13.310 -8.125 -3.986
57 HG12 ILE 7 2HG1 ILE 7 12.124 -10.107 -2.047
58 HG13 ILE 7 3HG1 ILE 7 13.699 -10.355 -2.795
59 HG21 ILE 7 1HG2 ILE 7 10.930 -7.505 -4.274
60 HG22 ILE 7 2HG2 ILE 7 10.509 -8.656 -3.008
61 HG23 ILE 7 3HG2 ILE 7 11.517 -7.260 -2.630
62 HD11 ILE 7 3HD1 ILE 7 13.302 -9.113 -0.435
63 HD12 ILE 7 1HD1 ILE 7 14.696 -8.841 -1.481
64 HD13 ILE 7 2HD1 ILE 7 13.323 -7.734 -1.534
65 H HIS 8 H HIS 8 10.109 -9.133 -6.080
66 HA HIS 8 HA HIS 8 8.112 -10.073 -4.471
67 HB2 HIS 8 2HB HIS 8 7.843 -8.756 -6.601
68 HB3 HIS 8 3HB HIS 8 8.043 -10.265 -7.487
69 HD1 HIS 8 HD1 HIS 8 5.531 -9.392 -8.275
70 HD2 HIS 8 HD2 HIS 8 5.930 -11.001 -4.465
71 HE1 HIS 8 HE1 HIS 8 3.205 -10.038 -7.571
72 H ASN 9 H ASN 9 10.221 -11.916 -6.540
73 HA ASN 9 HA ASN 9 8.718 -14.302 -6.652
74 HB2 ASN 9 2HB ASN 9 11.575 -13.567 -7.111
75 HB3 ASN 9 3HB ASN 9 11.173 -15.272 -6.936
76 HD21 ASN 9 1HD2 ASN 9 9.620 -12.492 -8.505
77 HD22 ASN 9 2HD2 ASN 9 9.435 -13.251 -10.046
78 H LEU 10 H LEU 10 11.258 -13.200 -4.434
79 HA LEU 10 HA LEU 10 11.281 -15.577 -2.875
80 HB2 LEU 10 2HB LEU 10 13.213 -14.216 -2.822
81 HB3 LEU 10 3HB LEU 10 12.280 -12.784 -2.394
82 HG LEU 10 HG LEU 10 11.898 -13.662 -0.166
83 HD11 LEU 10 1HD1 LEU 10 13.609 -15.795 0.139
84 HD12 LEU 10 2HD1 LEU 10 12.812 -16.131 -1.398
85 HD13 LEU 10 3HD1 LEU 10 11.849 -15.878 0.058
86 HD21 LEU 10 3HD2 LEU 10 14.131 -12.526 -0.972
87 HD22 LEU 10 1HD2 LEU 10 14.816 -14.098 -0.558
88 HD23 LEU 10 2HD2 LEU 10 13.968 -13.155 0.668
89 H PHE 11 H PHE 11 9.034 -13.110 -3.148
90 HA PHE 11 HA PHE 11 8.047 -13.473 -0.407
91 HB2 PHE 11 2HB PHE 11 7.584 -11.362 -2.497
92 HB3 PHE 11 3HB PHE 11 6.472 -11.552 -1.145
93 HD1 PHE 11 HD2 PHE 11 7.364 -11.322 1.195
94 HD2 PHE 11 HD1 PHE 11 9.616 -10.228 -2.247
95 HE1 PHE 11 HE2 PHE 11 8.841 -9.948 2.603
96 HE2 PHE 11 HE1 PHE 11 11.098 -8.853 -0.844
97 HZ PHE 11 HZ PHE 11 10.711 -8.710 1.584
98 H ARG 12 H ARG 12 7.088 -13.723 -3.795
99 HA ARG 12 HA ARG 12 4.422 -14.311 -3.596
100 HB2 ARG 12 2HB ARG 12 4.555 -15.188 -5.730
101 HB3 ARG 12 3HB ARG 12 6.021 -14.220 -5.662
102 HG2 ARG 12 2HG ARG 12 7.158 -16.406 -4.895
103 HG3 ARG 12 3HG ARG 12 5.717 -17.191 -5.546
104 HD2 ARG 12 2HD ARG 12 7.035 -15.177 -7.267
105 HD3 ARG 12 3HD ARG 12 7.903 -16.689 -7.009
106 HE ARG 12 HE ARG 12 5.631 -16.305 -8.655
107 HH11 ARG 12 1HH1 ARG 12 7.090 -18.594 -6.475
108 HH12 ARG 12 2HH1 ARG 12 6.356 -19.973 -7.223
109 HH21 ARG 12 1HH2 ARG 12 4.658 -18.113 -9.649
110 HH22 ARG 12 2HH2 ARG 12 4.973 -19.698 -9.029
111 H LYS 13 H LYS 13 7.115 -16.260 -2.609
112 HA LYS 13 HA LYS 13 5.317 -18.522 -2.056
113 HB2 LYS 13 2HB LYS 13 8.319 -18.373 -2.337
114 HB3 LYS 13 3HB LYS 13 7.482 -19.795 -1.729
115 HG2 LYS 13 2HG LYS 13 6.536 -20.280 -3.779
116 HG3 LYS 13 3HG LYS 13 6.716 -18.626 -4.368
117 HD2 LYS 13 2HD LYS 13 8.564 -19.299 -5.414
118 HD3 LYS 13 3HD LYS 13 9.313 -19.475 -3.826
119 HE2 LYS 13 2HE LYS 13 7.728 -21.628 -5.221
120 HE3 LYS 13 3HE LYS 13 9.486 -21.505 -5.250
121 HZ1 LYS 13 3HZ LYS 13 9.133 -22.960 -3.528
122 HZ2 LYS 13 1HZ LYS 13 7.713 -22.199 -3.011
123 HZ3 LYS 13 2HZ LYS 13 9.216 -21.494 -2.689
124 H LEU 14 H LEU 14 7.723 -16.381 -0.616
125 HA LEU 14 HA LEU 14 7.743 -17.551 1.951
126 HB2 LEU 14 2HB LEU 14 9.515 -16.091 1.332
127 HB3 LEU 14 3HB LEU 14 8.393 -14.778 0.982
128 HG LEU 14 HG LEU 14 9.813 -14.689 3.139
129 HD11 LEU 14 1HD1 LEU 14 7.673 -13.368 2.399
130 HD12 LEU 14 2HD1 LEU 14 8.286 -13.244 4.048
131 HD13 LEU 14 3HD1 LEU 14 6.914 -14.294 3.695
132 HD21 LEU 14 3HD2 LEU 14 9.302 -16.013 4.900
133 HD22 LEU 14 1HD2 LEU 14 8.802 -17.124 3.625
134 HD23 LEU 14 2HD2 LEU 14 7.599 -16.137 4.456
135 H THR 15 H THR 15 5.975 -14.737 0.676
136 HA THR 15 HA THR 15 4.229 -14.841 3.040
137 HB THR 15 HB THR 15 5.316 -12.670 2.643
138 HG1 THR 15 HG1 THR 15 3.498 -12.026 3.506
139 HG21 THR 15 3HG2 THR 15 4.512 -11.324 0.670
140 HG22 THR 15 1HG2 THR 15 3.876 -12.825 -0.002
141 HG23 THR 15 2HG2 THR 15 5.608 -12.649 0.277
142 H HIS 16 H HIS 16 4.019 -16.647 0.743
143 HA HIS 16 HA HIS 16 2.064 -15.999 -1.092
144 HB2 HIS 16 2HB HIS 16 1.640 -18.378 -1.308
145 HB3 HIS 16 3HB HIS 16 3.368 -18.111 -1.090
146 HD1 HIS 16 HD1 HIS 16 1.097 -20.504 -0.178
147 HD2 HIS 16 HD2 HIS 16 3.713 -18.186 2.069
148 HE1 HIS 16 HE1 HIS 16 1.431 -21.761 1.974
149 H ARG 17 H ARG 17 1.748 -16.602 2.302
150 HA ARG 17 HA ARG 17 -0.983 -17.268 2.412
151 HB2 ARG 17 2HB ARG 17 -0.826 -16.405 4.781
152 HB3 ARG 17 3HB ARG 17 0.336 -17.653 4.350
153 HG2 ARG 17 2HG ARG 17 1.343 -14.967 3.876
154 HG3 ARG 17 3HG ARG 17 0.904 -15.255 5.561
155 HD2 ARG 17 2HD ARG 17 2.507 -17.301 4.098
156 HD3 ARG 17 3HD ARG 17 3.303 -15.840 4.679
157 HE ARG 17 HE ARG 17 1.752 -17.058 6.725
158 HH11 ARG 17 1HH1 ARG 17 4.761 -17.317 4.994
159 HH12 ARG 17 2HH1 ARG 17 5.587 -18.118 6.288
160 HH21 ARG 17 1HH2 ARG 17 2.829 -18.113 8.437
161 HH22 ARG 17 2HH2 ARG 17 4.487 -18.572 8.246
162 H LEU 18 H LEU 18 0.665 -14.244 1.984
163 HA LEU 18 HA LEU 18 -1.868 -12.782 2.286
164 HB2 LEU 18 2HB LEU 18 0.786 -11.455 1.939
165 HB3 LEU 18 3HB LEU 18 -0.665 -10.855 2.739
166 HG LEU 18 HG LEU 18 1.337 -12.842 3.792
167 HD11 LEU 18 1HD1 LEU 18 1.353 -11.143 5.672
168 HD12 LEU 18 2HD1 LEU 18 0.471 -10.075 4.581
169 HD13 LEU 18 3HD1 LEU 18 2.085 -10.639 4.148
170 HD21 LEU 18 3HD2 LEU 18 -0.584 -13.807 4.598
171 HD22 LEU 18 1HD2 LEU 18 -1.470 -12.282 4.626
172 HD23 LEU 18 2HD2 LEU 18 -0.257 -12.619 5.861
173 H PHE 19 H PHE 19 0.814 -13.389 0.083
174 HA PHE 19 HA PHE 19 -0.495 -11.830 -2.013
175 HB2 PHE 19 2HB PHE 19 2.223 -12.508 -1.389
176 HB3 PHE 19 3HB PHE 19 1.842 -13.079 -3.010
177 HD1 PHE 19 HD2 PHE 19 1.133 -11.489 -4.748
178 HD2 PHE 19 HD1 PHE 19 2.399 -10.188 -0.898
179 HE1 PHE 19 HE2 PHE 19 1.436 -9.209 -5.622
180 HE2 PHE 19 HE1 PHE 19 2.704 -7.906 -1.766
181 HZ PHE 19 HZ PHE 19 2.223 -7.414 -4.131
182 H ARG 20 H ARG 20 -1.519 -14.427 -0.975
183 HA ARG 20 HA ARG 20 -1.067 -16.573 -2.649
184 HB2 ARG 20 2HB ARG 20 -3.208 -17.419 -1.971
185 HB3 ARG 20 3HB ARG 20 -2.498 -16.578 -0.600
186 HG2 ARG 20 2HG ARG 20 -3.889 -14.606 -1.144
187 HG3 ARG 20 3HG ARG 20 -4.657 -15.546 -2.425
188 HD2 ARG 20 2HD ARG 20 -5.090 -17.258 -0.494
189 HD3 ARG 20 3HD ARG 20 -4.859 -15.847 0.538
190 HE ARG 20 HE ARG 20 -7.130 -16.428 -1.094
191 HH11 ARG 20 1HH1 ARG 20 -5.226 -13.851 0.267
192 HH12 ARG 20 2HH1 ARG 20 -6.528 -12.708 0.257
193 HH21 ARG 20 1HH2 ARG 20 -8.852 -14.933 -1.112
194 HH22 ARG 20 2HH2 ARG 20 -8.591 -13.325 -0.527
195 H ARG 21 H ARG 21 -2.907 -13.666 -3.243
196 HA ARG 21 HA ARG 21 -4.418 -14.489 -5.444
197 HB2 ARG 21 2HB ARG 21 -3.561 -11.937 -4.277
198 HB3 ARG 21 3HB ARG 21 -3.833 -11.868 -6.013
199 HG2 ARG 21 2HG ARG 21 -6.068 -12.190 -5.819
200 HG3 ARG 21 3HG ARG 21 -5.910 -13.193 -4.375
201 HD2 ARG 21 2HD ARG 21 -5.409 -11.203 -3.047
202 HD3 ARG 21 3HD ARG 21 -5.553 -10.200 -4.490
203 HE ARG 21 HE ARG 21 -7.689 -11.240 -2.893
204 HH11 ARG 21 1HH1 ARG 21 -6.787 -10.214 -6.096
205 HH12 ARG 21 2HH1 ARG 21 -8.406 -9.815 -6.565
206 HH21 ARG 21 1HH2 ARG 21 -9.825 -10.718 -3.500
207 HH22 ARG 21 2HH2 ARG 21 -10.133 -10.101 -5.088
Start of MODEL 15
1 H1 ARG 1 H ARG 1 1.419 -0.418 0.038
2 HA ARG 1 HA ARG 1 0.935 -1.330 -2.695
3 HB2 ARG 1 2HB ARG 1 1.340 1.370 -2.108
4 HB3 ARG 1 3HB ARG 1 2.903 0.799 -2.676
5 HG2 ARG 1 2HG ARG 1 0.557 -0.004 -4.276
6 HG3 ARG 1 3HG ARG 1 0.984 1.708 -4.300
7 HD2 ARG 1 2HD ARG 1 3.418 0.496 -4.600
8 HD3 ARG 1 3HD ARG 1 2.349 -0.592 -5.484
9 HE ARG 1 HE ARG 1 1.709 1.962 -6.313
10 HH11 ARG 1 1HH1 ARG 1 4.510 -0.105 -6.346
11 HH12 ARG 1 2HH1 ARG 1 5.164 0.586 -7.793
12 HH21 ARG 1 1HH2 ARG 1 2.560 2.880 -8.219
13 HH22 ARG 1 2HH2 ARG 1 4.055 2.285 -8.857
14 H TRP 2 H TRP 2 2.056 -3.195 -2.524
15 HA TRP 2 HA TRP 2 4.601 -3.308 -1.168
16 HB2 TRP 2 2HB TRP 2 2.631 -5.159 -1.691
17 HB3 TRP 2 3HB TRP 2 3.887 -5.604 -2.844
18 HD1 TRP 2 HD1 TRP 2 6.488 -5.246 -1.224
19 HE1 TRP 2 HE1 TRP 2 6.997 -6.702 0.836
20 HE3 TRP 2 HE3 TRP 2 1.728 -6.706 -0.065
21 HZ2 TRP 2 HZ2 TRP 2 5.570 -8.264 2.705
22 HZ3 TRP 2 HZ3 TRP 2 1.386 -8.182 1.874
23 HH2 TRP 2 HH2 TRP 2 3.269 -8.944 3.228
24 H SER 3 H SER 3 6.041 -2.040 -2.291
25 HA SER 3 HA SER 3 6.347 -2.182 -5.127
26 HB2 SER 3 2HB SER 3 8.274 -1.068 -3.075
27 HB3 SER 3 3HB SER 3 8.268 -0.723 -4.805
28 HG SER 3 HG SER 3 7.090 0.691 -3.056
29 H ILE 4 H ILE 4 6.620 -4.435 -5.491
30 HA ILE 4 HA ILE 4 9.319 -5.411 -4.819
31 HB ILE 4 HB ILE 4 8.411 -7.712 -4.927
32 HG12 ILE 4 2HG1 ILE 4 5.968 -6.217 -5.638
33 HG13 ILE 4 3HG1 ILE 4 6.457 -7.850 -6.075
34 HG21 ILE 4 1HG2 ILE 4 8.647 -6.386 -2.799
35 HG22 ILE 4 2HG2 ILE 4 6.915 -6.071 -2.898
36 HG23 ILE 4 3HG2 ILE 4 7.502 -7.726 -2.738
37 HD11 ILE 4 3HD1 ILE 4 5.838 -8.558 -3.762
38 HD12 ILE 4 1HD1 ILE 4 5.165 -6.947 -3.518
39 HD13 ILE 4 2HD1 ILE 4 4.491 -8.005 -4.758
40 H THR 5 H THR 5 10.346 -4.847 -6.692
41 HA THR 5 HA THR 5 9.184 -5.404 -9.274
42 HB THR 5 HB THR 5 10.593 -3.428 -9.009
43 HG1 THR 5 HG1 THR 5 11.581 -3.703 -10.927
44 HG21 THR 5 3HG2 THR 5 12.122 -4.743 -7.326
45 HG22 THR 5 1HG2 THR 5 12.789 -3.441 -8.310
46 HG23 THR 5 2HG2 THR 5 13.042 -5.121 -8.782
47 H THR 6 H THR 6 11.875 -6.666 -7.335
48 HA THR 6 HA THR 6 11.893 -9.047 -9.073
49 HB THR 6 HB THR 6 14.157 -7.449 -7.981
50 HG1 THR 6 HG1 THR 6 14.682 -7.484 -10.039
51 HG21 THR 6 3HG2 THR 6 14.275 -10.437 -8.404
52 HG22 THR 6 1HG2 THR 6 14.481 -9.592 -6.871
53 HG23 THR 6 2HG2 THR 6 15.670 -9.387 -8.158
54 H ILE 7 H ILE 7 12.304 -7.783 -5.806
55 HA ILE 7 HA ILE 7 12.822 -10.147 -4.442
56 HB ILE 7 HB ILE 7 12.568 -7.607 -3.645
57 HG12 ILE 7 2HG1 ILE 7 12.002 -9.811 -1.674
58 HG13 ILE 7 3HG1 ILE 7 13.556 -9.695 -2.493
59 HG21 ILE 7 1HG2 ILE 7 10.084 -7.738 -3.898
60 HG22 ILE 7 2HG2 ILE 7 10.068 -8.892 -2.565
61 HG23 ILE 7 3HG2 ILE 7 10.633 -7.244 -2.297
62 HD11 ILE 7 3HD1 ILE 7 13.825 -7.422 -1.580
63 HD12 ILE 7 1HD1 ILE 7 12.314 -7.630 -0.694
64 HD13 ILE 7 2HD1 ILE 7 13.698 -8.662 -0.332
65 H HIS 8 H HIS 8 9.975 -9.155 -6.046
66 HA HIS 8 HA HIS 8 7.926 -10.326 -4.628
67 HB2 HIS 8 2HB HIS 8 7.873 -9.016 -6.859
68 HB3 HIS 8 3HB HIS 8 8.082 -10.590 -7.620
69 HD1 HIS 8 HD1 HIS 8 5.568 -9.309 -8.379
70 HD2 HIS 8 HD2 HIS 8 5.881 -11.493 -4.858
71 HE1 HIS 8 HE1 HIS 8 3.215 -9.972 -7.788
72 H ASN 9 H ASN 9 10.519 -11.852 -6.321
73 HA ASN 9 HA ASN 9 9.293 -14.411 -6.631
74 HB2 ASN 9 2HB ASN 9 12.078 -13.341 -6.876
75 HB3 ASN 9 3HB ASN 9 11.834 -15.084 -6.803
76 HD21 ASN 9 1HD2 ASN 9 10.937 -16.138 -8.519
77 HD22 ASN 9 2HD2 ASN 9 10.619 -15.381 -10.040
78 H LEU 10 H LEU 10 11.402 -12.941 -4.208
79 HA LEU 10 HA LEU 10 11.524 -15.370 -2.644
80 HB2 LEU 10 2HB LEU 10 13.462 -13.952 -2.682
81 HB3 LEU 10 3HB LEU 10 12.514 -12.571 -2.136
82 HG LEU 10 HG LEU 10 12.276 -13.516 0.052
83 HD11 LEU 10 1HD1 LEU 10 12.010 -15.854 -0.595
84 HD12 LEU 10 2HD1 LEU 10 13.237 -15.672 0.658
85 HD13 LEU 10 3HD1 LEU 10 13.721 -15.937 -1.017
86 HD21 LEU 10 3HD2 LEU 10 14.944 -13.245 -1.166
87 HD22 LEU 10 1HD2 LEU 10 14.894 -14.059 0.398
88 HD23 LEU 10 2HD2 LEU 10 14.242 -12.429 0.232
89 H PHE 11 H PHE 11 9.202 -13.098 -3.108
90 HA PHE 11 HA PHE 11 8.208 -13.292 -0.343
91 HB2 PHE 11 2HB PHE 11 7.978 -11.185 -2.440
92 HB3 PHE 11 3HB PHE 11 6.630 -11.390 -1.326
93 HD1 PHE 11 HD2 PHE 11 10.312 -10.890 -1.398
94 HD2 PHE 11 HD1 PHE 11 6.676 -10.368 0.750
95 HE1 PHE 11 HE2 PHE 11 11.502 -9.541 0.281
96 HE2 PHE 11 HE1 PHE 11 7.859 -9.018 2.433
97 HZ PHE 11 HZ PHE 11 10.276 -8.604 2.200
98 H ARG 12 H ARG 12 7.214 -13.450 -3.745
99 HA ARG 12 HA ARG 12 4.571 -14.069 -3.549
100 HB2 ARG 12 2HB ARG 12 4.787 -15.305 -5.635
101 HB3 ARG 12 3HB ARG 12 5.788 -13.859 -5.679
102 HG2 ARG 12 2HG ARG 12 7.751 -15.257 -5.109
103 HG3 ARG 12 3HG ARG 12 6.718 -16.683 -5.217
104 HD2 ARG 12 2HD ARG 12 7.488 -14.769 -7.405
105 HD3 ARG 12 3HD ARG 12 7.822 -16.497 -7.302
106 HE ARG 12 HE ARG 12 5.422 -15.255 -8.258
107 HH11 ARG 12 1HH1 ARG 12 6.752 -18.120 -6.794
108 HH12 ARG 12 2HH1 ARG 12 5.494 -19.159 -7.378
109 HH21 ARG 12 1HH2 ARG 12 3.761 -16.613 -9.032
110 HH22 ARG 12 2HH2 ARG 12 3.794 -18.301 -8.651
111 H LYS 13 H LYS 13 7.275 -16.083 -2.676
112 HA LYS 13 HA LYS 13 5.474 -18.339 -2.138
113 HB2 LYS 13 2HB LYS 13 7.800 -18.426 -3.433
114 HB3 LYS 13 3HB LYS 13 8.424 -18.574 -1.795
115 HG2 LYS 13 2HG LYS 13 6.631 -20.448 -1.574
116 HG3 LYS 13 3HG LYS 13 6.691 -20.447 -3.338
117 HD2 LYS 13 2HD LYS 13 9.345 -20.442 -2.663
118 HD3 LYS 13 3HD LYS 13 8.636 -21.435 -1.388
119 HE2 LYS 13 2HE LYS 13 8.850 -23.100 -2.880
120 HE3 LYS 13 3HE LYS 13 7.381 -22.424 -3.581
121 HZ1 LYS 13 3HZ LYS 13 9.732 -21.104 -4.525
122 HZ2 LYS 13 1HZ LYS 13 8.474 -21.819 -5.402
123 HZ3 LYS 13 2HZ LYS 13 9.769 -22.762 -4.859
124 H LEU 14 H LEU 14 7.879 -16.242 -0.621
125 HA LEU 14 HA LEU 14 7.822 -17.448 1.929
126 HB2 LEU 14 2HB LEU 14 9.634 -16.010 1.342
127 HB3 LEU 14 3HB LEU 14 8.537 -14.665 1.033
128 HG LEU 14 HG LEU 14 9.955 -14.688 3.200
129 HD11 LEU 14 1HD1 LEU 14 8.452 -13.241 4.163
130 HD12 LEU 14 2HD1 LEU 14 7.055 -14.218 3.713
131 HD13 LEU 14 3HD1 LEU 14 7.890 -13.259 2.491
132 HD21 LEU 14 3HD2 LEU 14 8.895 -17.101 3.611
133 HD22 LEU 14 1HD2 LEU 14 7.676 -16.123 4.428
134 HD23 LEU 14 2HD2 LEU 14 9.364 -16.029 4.931
135 H THR 15 H THR 15 6.163 -14.555 0.679
136 HA THR 15 HA THR 15 4.367 -14.652 3.003
137 HB THR 15 HB THR 15 5.494 -12.500 2.638
138 HG1 THR 15 HG1 THR 15 3.575 -11.245 2.688
139 HG21 THR 15 3HG2 THR 15 4.746 -11.135 0.648
140 HG22 THR 15 1HG2 THR 15 4.124 -12.632 -0.044
141 HG23 THR 15 2HG2 THR 15 5.848 -12.462 0.287
142 H HIS 16 H HIS 16 4.213 -16.385 0.587
143 HA HIS 16 HA HIS 16 2.256 -15.683 -1.214
144 HB2 HIS 16 2HB HIS 16 3.664 -17.877 -0.953
145 HB3 HIS 16 3HB HIS 16 2.259 -18.448 -0.057
146 HD1 HIS 16 HD1 HIS 16 0.464 -16.599 -2.220
147 HD2 HIS 16 HD2 HIS 16 2.920 -19.884 -2.886
148 HE1 HIS 16 HE1 HIS 16 -0.318 -17.594 -4.393
149 H ARG 17 H ARG 17 1.922 -16.473 2.148
150 HA ARG 17 HA ARG 17 -0.795 -17.151 2.228
151 HB2 ARG 17 2HB ARG 17 0.869 -15.743 4.324
152 HB3 ARG 17 3HB ARG 17 -0.692 -16.501 4.606
153 HG2 ARG 17 2HG ARG 17 0.287 -18.450 4.964
154 HG3 ARG 17 3HG ARG 17 1.039 -18.395 3.368
155 HD2 ARG 17 2HD ARG 17 3.011 -17.580 4.174
156 HD3 ARG 17 3HD ARG 17 2.238 -16.733 5.513
157 HE ARG 17 HE ARG 17 2.146 -19.601 5.731
158 HH11 ARG 17 1HH1 ARG 17 3.989 -16.724 6.399
159 HH12 ARG 17 2HH1 ARG 17 4.878 -17.439 7.703
160 HH21 ARG 17 1HH2 ARG 17 3.310 -20.554 7.445
161 HH22 ARG 17 2HH2 ARG 17 4.492 -19.618 8.296
162 H LEU 18 H LEU 18 0.812 -14.076 1.950
163 HA LEU 18 HA LEU 18 -1.725 -12.651 2.314
164 HB2 LEU 18 2HB LEU 18 0.922 -11.333 1.856
165 HB3 LEU 18 3HB LEU 18 -0.504 -10.703 2.678
166 HG LEU 18 HG LEU 18 1.522 -12.671 3.716
167 HD11 LEU 18 1HD1 LEU 18 2.307 -10.542 4.149
168 HD12 LEU 18 2HD1 LEU 18 1.403 -10.913 5.616
169 HD13 LEU 18 3HD1 LEU 18 0.690 -9.878 4.380
170 HD21 LEU 18 3HD2 LEU 18 -1.304 -12.297 4.460
171 HD22 LEU 18 1HD2 LEU 18 -0.153 -12.304 5.796
172 HD23 LEU 18 2HD2 LEU 18 -0.237 -13.682 4.698
173 H PHE 19 H PHE 19 0.788 -13.324 -0.041
174 HA PHE 19 HA PHE 19 -0.574 -11.699 -2.052
175 HB2 PHE 19 2HB PHE 19 2.144 -12.532 -1.606
176 HB3 PHE 19 3HB PHE 19 1.624 -13.039 -3.210
177 HD1 PHE 19 HD2 PHE 19 0.956 -11.385 -4.879
178 HD2 PHE 19 HD1 PHE 19 2.421 -10.222 -1.056
179 HE1 PHE 19 HE2 PHE 19 1.329 -9.103 -5.720
180 HE2 PHE 19 HE1 PHE 19 2.796 -7.938 -1.891
181 HZ PHE 19 HZ PHE 19 2.251 -7.376 -4.226
182 H ARG 20 H ARG 20 -1.657 -14.245 -0.951
183 HA ARG 20 HA ARG 20 -1.403 -16.367 -2.739
184 HB2 ARG 20 2HB ARG 20 -3.598 -17.117 -1.880
185 HB3 ARG 20 3HB ARG 20 -2.498 -16.640 -0.594
186 HG2 ARG 20 2HG ARG 20 -4.192 -15.433 0.192
187 HG3 ARG 20 3HG ARG 20 -3.852 -14.313 -1.129
188 HD2 ARG 20 2HD ARG 20 -5.605 -15.071 -2.404
189 HD3 ARG 20 3HD ARG 20 -5.594 -16.669 -1.660
190 HE ARG 20 HE ARG 20 -7.069 -14.373 -0.792
191 HH11 ARG 20 1HH1 ARG 20 -5.566 -17.337 0.247
192 HH12 ARG 20 2HH1 ARG 20 -6.584 -17.518 1.637
193 HH21 ARG 20 1HH2 ARG 20 -8.415 -14.601 1.035
194 HH22 ARG 20 2HH2 ARG 20 -8.205 -15.962 2.084
195 H ARG 21 H ARG 21 -3.128 -13.377 -3.025
196 HA ARG 21 HA ARG 21 -4.768 -14.274 -5.232
197 HB2 ARG 21 2HB ARG 21 -4.688 -11.994 -3.465
198 HB3 ARG 21 3HB ARG 21 -4.782 -11.465 -5.140
199 HG2 ARG 21 2HG ARG 21 -6.872 -12.288 -5.431
200 HG3 ARG 21 3HG ARG 21 -6.621 -13.627 -4.310
201 HD2 ARG 21 2HD ARG 21 -8.030 -12.372 -3.042
202 HD3 ARG 21 3HD ARG 21 -6.503 -11.632 -2.562
203 HE ARG 21 HE ARG 21 -7.290 -10.158 -4.701
204 HH11 ARG 21 1HH1 ARG 21 -8.803 -11.078 -1.704
205 HH12 ARG 21 2HH1 ARG 21 -9.773 -9.646 -1.603
206 HH21 ARG 21 1HH2 ARG 21 -8.560 -8.267 -4.578
207 HH22 ARG 21 2HH2 ARG 21 -9.634 -8.048 -3.238
Start of MODEL 16
1 H1 ARG 1 H ARG 1 2.203 0.334 0.505
2 HA ARG 1 HA ARG 1 1.216 -1.075 -1.880
3 HB2 ARG 1 2HB ARG 1 2.799 1.471 -1.741
4 HB3 ARG 1 3HB ARG 1 2.969 0.397 -3.123
5 HG2 ARG 1 2HG ARG 1 0.601 0.592 -3.602
6 HG3 ARG 1 3HG ARG 1 0.381 1.608 -2.176
7 HD2 ARG 1 2HD ARG 1 0.513 3.131 -3.940
8 HD3 ARG 1 3HD ARG 1 2.130 3.147 -3.239
9 HE ARG 1 HE ARG 1 2.934 2.363 -5.222
10 HH11 ARG 1 1HH1 ARG 1 -0.472 1.664 -5.050
11 HH12 ARG 1 2HH1 ARG 1 -0.560 1.046 -6.667
12 HH21 ARG 1 1HH2 ARG 1 2.831 1.551 -7.352
13 HH22 ARG 1 2HH2 ARG 1 1.320 0.982 -7.974
14 H TRP 2 H TRP 2 2.620 -2.531 -2.806
15 HA TRP 2 HA TRP 2 5.111 -3.022 -1.310
16 HB2 TRP 2 2HB TRP 2 2.958 -4.730 -1.647
17 HB3 TRP 2 3HB TRP 2 4.106 -5.281 -2.864
18 HD1 TRP 2 HD1 TRP 2 6.822 -5.077 -1.423
19 HE1 TRP 2 HE1 TRP 2 7.363 -6.522 0.637
20 HE3 TRP 2 HE3 TRP 2 2.058 -6.171 0.075
21 HZ2 TRP 2 HZ2 TRP 2 5.957 -7.939 2.632
22 HZ3 TRP 2 HZ3 TRP 2 1.743 -7.578 2.069
23 HH2 TRP 2 HH2 TRP 2 3.653 -8.443 3.319
24 H SER 3 H SER 3 6.624 -2.019 -2.535
25 HA SER 3 HA SER 3 6.614 -2.367 -5.427
26 HB2 SER 3 2HB SER 3 8.747 -0.890 -3.915
27 HB3 SER 3 3HB SER 3 8.130 -0.594 -5.540
28 HG SER 3 HG SER 3 6.363 0.374 -4.709
29 H ILE 4 H ILE 4 7.117 -4.571 -5.598
30 HA ILE 4 HA ILE 4 9.891 -5.249 -4.864
31 HB ILE 4 HB ILE 4 9.104 -7.651 -4.879
32 HG12 ILE 4 2HG1 ILE 4 6.873 -6.813 -6.033
33 HG13 ILE 4 3HG1 ILE 4 6.873 -8.212 -4.964
34 HG21 ILE 4 1HG2 ILE 4 9.583 -6.450 -2.817
35 HG22 ILE 4 2HG2 ILE 4 7.942 -5.807 -2.796
36 HG23 ILE 4 3HG2 ILE 4 8.213 -7.539 -2.601
37 HD11 ILE 4 3HD1 ILE 4 5.835 -7.064 -3.253
38 HD12 ILE 4 1HD1 ILE 4 6.322 -5.488 -3.877
39 HD13 ILE 4 2HD1 ILE 4 5.055 -6.406 -4.691
40 H THR 5 H THR 5 10.866 -4.744 -6.786
41 HA THR 5 HA THR 5 9.896 -5.195 -9.349
42 HB THR 5 HB THR 5 11.754 -3.874 -9.452
43 HG1 THR 5 HG1 THR 5 13.328 -6.172 -9.714
44 HG21 THR 5 3HG2 THR 5 13.925 -4.832 -8.168
45 HG22 THR 5 1HG2 THR 5 12.647 -5.491 -7.149
46 HG23 THR 5 2HG2 THR 5 12.749 -3.752 -7.421
47 H THR 6 H THR 6 12.646 -7.069 -8.129
48 HA THR 6 HA THR 6 11.559 -9.420 -9.514
49 HB THR 6 HB THR 6 14.321 -8.482 -8.928
50 HG1 THR 6 HG1 THR 6 14.489 -8.786 -11.043
51 HG21 THR 6 3HG2 THR 6 13.553 -11.395 -9.117
52 HG22 THR 6 1HG2 THR 6 14.341 -10.592 -7.760
53 HG23 THR 6 2HG2 THR 6 15.197 -10.782 -9.290
54 H ILE 7 H ILE 7 12.752 -8.278 -6.416
55 HA ILE 7 HA ILE 7 13.005 -10.640 -5.012
56 HB ILE 7 HB ILE 7 13.407 -8.211 -4.229
57 HG12 ILE 7 2HG1 ILE 7 12.125 -10.031 -2.196
58 HG13 ILE 7 3HG1 ILE 7 13.684 -10.398 -2.925
59 HG21 ILE 7 1HG2 ILE 7 11.059 -7.502 -4.564
60 HG22 ILE 7 2HG2 ILE 7 10.582 -8.567 -3.243
61 HG23 ILE 7 3HG2 ILE 7 11.650 -7.199 -2.930
62 HD11 ILE 7 3HD1 ILE 7 14.682 -8.485 -1.966
63 HD12 ILE 7 1HD1 ILE 7 13.119 -7.827 -1.481
64 HD13 ILE 7 2HD1 ILE 7 13.754 -9.268 -0.687
65 H HIS 8 H HIS 8 10.161 -9.205 -6.282
66 HA HIS 8 HA HIS 8 8.131 -9.979 -4.632
67 HB2 HIS 8 2HB HIS 8 7.900 -8.783 -6.828
68 HB3 HIS 8 3HB HIS 8 8.072 -10.340 -7.633
69 HD1 HIS 8 HD1 HIS 8 5.591 -9.486 -8.500
70 HD2 HIS 8 HD2 HIS 8 5.914 -10.837 -4.585
71 HE1 HIS 8 HE1 HIS 8 3.244 -10.033 -7.783
72 H ASN 9 H ASN 9 10.163 -12.017 -6.598
73 HA ASN 9 HA ASN 9 8.579 -14.351 -6.555
74 HB2 ASN 9 2HB ASN 9 11.269 -13.611 -7.364
75 HB3 ASN 9 3HB ASN 9 11.235 -15.206 -6.618
76 HD21 ASN 9 1HD2 ASN 9 9.863 -16.812 -7.526
77 HD22 ASN 9 2HD2 ASN 9 9.407 -16.733 -9.191
78 H LEU 10 H LEU 10 11.168 -13.202 -4.420
79 HA LEU 10 HA LEU 10 11.125 -15.482 -2.722
80 HB2 LEU 10 2HB LEU 10 13.101 -14.183 -2.764
81 HB3 LEU 10 3HB LEU 10 12.217 -12.700 -2.411
82 HG LEU 10 HG LEU 10 11.814 -13.463 -0.134
83 HD11 LEU 10 1HD1 LEU 10 12.750 -15.498 0.725
84 HD12 LEU 10 2HD1 LEU 10 13.496 -15.864 -0.830
85 HD13 LEU 10 3HD1 LEU 10 11.740 -15.884 -0.667
86 HD21 LEU 10 3HD2 LEU 10 14.287 -13.633 0.564
87 HD22 LEU 10 1HD2 LEU 10 13.748 -12.177 -0.273
88 HD23 LEU 10 2HD2 LEU 10 14.632 -13.424 -1.153
89 H PHE 11 H PHE 11 8.955 -12.969 -3.133
90 HA PHE 11 HA PHE 11 7.980 -13.126 -0.369
91 HB2 PHE 11 2HB PHE 11 7.576 -11.138 -2.586
92 HB3 PHE 11 3HB PHE 11 6.451 -11.213 -1.233
93 HD1 PHE 11 HD2 PHE 11 7.322 -10.845 1.090
94 HD2 PHE 11 HD1 PHE 11 9.652 -10.068 -2.386
95 HE1 PHE 11 HE2 PHE 11 8.830 -9.429 2.422
96 HE2 PHE 11 HE1 PHE 11 11.164 -8.651 -1.059
97 HZ PHE 11 HZ PHE 11 10.754 -8.329 1.348
98 H ARG 12 H ARG 12 6.978 -13.553 -3.728
99 HA ARG 12 HA ARG 12 4.300 -14.052 -3.470
100 HB2 ARG 12 2HB ARG 12 4.386 -15.069 -5.545
101 HB3 ARG 12 3HB ARG 12 5.876 -14.135 -5.552
102 HG2 ARG 12 2HG ARG 12 6.964 -16.298 -4.655
103 HG3 ARG 12 3HG ARG 12 5.501 -17.084 -5.251
104 HD2 ARG 12 2HD ARG 12 6.864 -15.212 -7.094
105 HD3 ARG 12 3HD ARG 12 7.687 -16.733 -6.753
106 HE ARG 12 HE ARG 12 5.416 -16.376 -8.407
107 HH11 ARG 12 1HH1 ARG 12 6.820 -18.577 -6.104
108 HH12 ARG 12 2HH1 ARG 12 6.039 -19.974 -6.767
109 HH21 ARG 12 1HH2 ARG 12 4.382 -18.207 -9.289
110 HH22 ARG 12 2HH2 ARG 12 4.653 -19.763 -8.579
111 H LYS 13 H LYS 13 6.945 -16.016 -2.390
112 HA LYS 13 HA LYS 13 5.087 -18.183 -1.677
113 HB2 LYS 13 2HB LYS 13 8.089 -18.146 -1.995
114 HB3 LYS 13 3HB LYS 13 7.214 -19.502 -1.296
115 HG2 LYS 13 2HG LYS 13 6.236 -20.081 -3.305
116 HG3 LYS 13 3HG LYS 13 6.453 -18.470 -3.992
117 HD2 LYS 13 2HD LYS 13 8.288 -19.224 -5.000
118 HD3 LYS 13 3HD LYS 13 9.031 -19.391 -3.408
119 HE2 LYS 13 2HE LYS 13 8.205 -21.665 -3.234
120 HE3 LYS 13 3HE LYS 13 7.368 -21.503 -4.777
121 HZ1 LYS 13 3HZ LYS 13 10.194 -21.924 -4.236
122 HZ2 LYS 13 1HZ LYS 13 9.832 -20.876 -5.514
123 HZ3 LYS 13 2HZ LYS 13 9.246 -22.463 -5.530
124 H LEU 14 H LEU 14 7.570 -16.028 -0.400
125 HA LEU 14 HA LEU 14 7.596 -17.036 2.234
126 HB2 LEU 14 2HB LEU 14 9.388 -15.654 1.487
127 HB3 LEU 14 3HB LEU 14 8.285 -14.334 1.102
128 HG LEU 14 HG LEU 14 9.764 -14.180 3.219
129 HD11 LEU 14 1HD1 LEU 14 6.884 -13.678 3.800
130 HD12 LEU 14 2HD1 LEU 14 7.657 -12.827 2.463
131 HD13 LEU 14 3HD1 LEU 14 8.291 -12.658 4.100
132 HD21 LEU 14 3HD2 LEU 14 7.538 -15.510 4.642
133 HD22 LEU 14 1HD2 LEU 14 9.247 -15.391 5.061
134 HD23 LEU 14 2HD2 LEU 14 8.716 -16.558 3.850
135 H THR 15 H THR 15 5.878 -14.260 0.814
136 HA THR 15 HA THR 15 4.186 -14.145 3.212
137 HB THR 15 HB THR 15 5.268 -12.032 2.581
138 HG1 THR 15 HG1 THR 15 2.471 -11.925 2.050
139 HG21 THR 15 3HG2 THR 15 4.360 -10.887 0.494
140 HG22 THR 15 1HG2 THR 15 3.813 -12.484 -0.015
141 HG23 THR 15 2HG2 THR 15 5.532 -12.180 0.239
142 H HIS 16 H HIS 16 3.890 -16.162 1.108
143 HA HIS 16 HA HIS 16 1.885 -15.678 -0.721
144 HB2 HIS 16 2HB HIS 16 3.213 -17.806 -0.445
145 HB3 HIS 16 3HB HIS 16 2.135 -18.228 0.881
146 HD1 HIS 16 HD1 HIS 16 0.042 -19.427 0.265
147 HD2 HIS 16 HD2 HIS 16 1.797 -17.553 -3.001
148 HE1 HIS 16 HE1 HIS 16 -1.296 -20.165 -1.732
149 H ARG 17 H ARG 17 1.665 -15.967 2.727
150 HA ARG 17 HA ARG 17 -1.065 -16.577 2.981
151 HB2 ARG 17 2HB ARG 17 0.841 -15.091 4.787
152 HB3 ARG 17 3HB ARG 17 -0.819 -15.448 5.244
153 HG2 ARG 17 2HG ARG 17 -0.214 -17.459 5.930
154 HG3 ARG 17 3HG ARG 17 0.388 -17.848 4.317
155 HD2 ARG 17 2HD ARG 17 2.555 -17.142 4.828
156 HD3 ARG 17 3HD ARG 17 2.020 -16.218 6.231
157 HE ARG 17 HE ARG 17 1.543 -19.036 6.479
158 HH11 ARG 17 1HH1 ARG 17 3.890 -16.496 6.884
159 HH12 ARG 17 2HH1 ARG 17 4.805 -17.354 8.079
160 HH21 ARG 17 1HH2 ARG 17 2.740 -20.175 8.051
161 HH22 ARG 17 2HH2 ARG 17 4.151 -19.447 8.741
162 H LEU 18 H LEU 18 0.594 -13.621 2.223
163 HA LEU 18 HA LEU 18 -1.922 -12.116 2.440
164 HB2 LEU 18 2HB LEU 18 0.722 -10.838 1.899
165 HB3 LEU 18 3HB LEU 18 -0.701 -10.169 2.695
166 HG LEU 18 HG LEU 18 1.330 -12.072 3.847
167 HD11 LEU 18 1HD1 LEU 18 1.423 -10.203 5.564
168 HD12 LEU 18 2HD1 LEU 18 0.532 -9.229 4.395
169 HD13 LEU 18 3HD1 LEU 18 2.124 -9.866 3.981
170 HD21 LEU 18 3HD2 LEU 18 -0.402 -12.937 4.986
171 HD22 LEU 18 1HD2 LEU 18 -1.469 -11.590 4.588
172 HD23 LEU 18 2HD2 LEU 18 -0.314 -11.438 5.912
173 H PHE 19 H PHE 19 0.750 -12.866 0.251
174 HA PHE 19 HA PHE 19 -0.728 -11.635 -1.963
175 HB2 PHE 19 2HB PHE 19 2.140 -12.294 -1.481
176 HB3 PHE 19 3HB PHE 19 1.559 -12.301 -3.143
177 HD1 PHE 19 HD2 PHE 19 0.296 -10.059 -0.509
178 HD2 PHE 19 HD1 PHE 19 2.812 -10.445 -3.921
179 HE1 PHE 19 HE2 PHE 19 0.541 -7.613 -0.601
180 HE2 PHE 19 HE1 PHE 19 3.062 -7.999 -4.017
181 HZ PHE 19 HZ PHE 19 1.925 -6.579 -2.356
182 H ARG 20 H ARG 20 -1.677 -14.074 -0.855
183 HA ARG 20 HA ARG 20 -0.871 -16.408 -2.086
184 HB2 ARG 20 2HB ARG 20 -3.135 -17.241 -1.705
185 HB3 ARG 20 3HB ARG 20 -2.569 -16.321 -0.318
186 HG2 ARG 20 2HG ARG 20 -4.599 -15.373 -0.459
187 HG3 ARG 20 3HG ARG 20 -3.822 -14.376 -1.691
188 HD2 ARG 20 2HD ARG 20 -5.956 -15.239 -2.487
189 HD3 ARG 20 3HD ARG 20 -4.619 -15.899 -3.427
190 HE ARG 20 HE ARG 20 -5.074 -17.747 -1.461
191 HH11 ARG 20 1HH1 ARG 20 -6.987 -16.264 -3.964
192 HH12 ARG 20 2HH1 ARG 20 -8.021 -17.639 -4.168
193 HH21 ARG 20 1HH2 ARG 20 -6.429 -19.563 -1.722
194 HH22 ARG 20 2HH2 ARG 20 -7.703 -19.514 -2.892
195 H ARG 21 H ARG 21 -2.714 -13.747 -3.396
196 HA ARG 21 HA ARG 21 -3.737 -15.043 -5.683
197 HB2 ARG 21 2HB ARG 21 -3.195 -12.171 -4.987
198 HB3 ARG 21 3HB ARG 21 -3.744 -12.617 -6.598
199 HG2 ARG 21 2HG ARG 21 -5.831 -13.184 -5.885
200 HG3 ARG 21 3HG ARG 21 -5.276 -13.643 -4.274
201 HD2 ARG 21 2HD ARG 21 -4.845 -10.828 -4.815
202 HD3 ARG 21 3HD ARG 21 -6.541 -11.279 -4.983
203 HE ARG 21 HE ARG 21 -5.044 -11.103 -2.558
204 HH11 ARG 21 1HH1 ARG 21 -7.674 -12.759 -4.126
205 HH12 ARG 21 2HH1 ARG 21 -8.484 -13.149 -2.644
206 HH21 ARG 21 1HH2 ARG 21 -6.099 -11.611 -0.601
207 HH22 ARG 21 2HH2 ARG 21 -7.587 -12.495 -0.640
Start of MODEL 17
1 H1 ARG 1 H ARG 1 1.150 -1.020 0.002
2 HA ARG 1 HA ARG 1 0.996 -1.223 -2.930
3 HB2 ARG 1 2HB ARG 1 2.362 0.953 -1.335
4 HB3 ARG 1 3HB ARG 1 2.482 0.756 -3.079
5 HG2 ARG 1 2HG ARG 1 -0.133 0.889 -2.961
6 HG3 ARG 1 3HG ARG 1 0.195 1.701 -1.429
7 HD2 ARG 1 2HD ARG 1 1.810 2.608 -3.716
8 HD3 ARG 1 3HD ARG 1 0.084 2.951 -3.827
9 HE ARG 1 HE ARG 1 0.838 3.743 -1.303
10 HH11 ARG 1 1HH1 ARG 1 1.737 4.539 -4.571
11 HH12 ARG 1 2HH1 ARG 1 2.166 6.175 -4.193
12 HH21 ARG 1 1HH2 ARG 1 1.398 5.895 -0.794
13 HH22 ARG 1 2HH2 ARG 1 1.973 6.945 -2.044
14 H TRP 2 H TRP 2 1.959 -3.311 -2.681
15 HA TRP 2 HA TRP 2 4.618 -3.475 -1.536
16 HB2 TRP 2 2HB TRP 2 2.560 -5.292 -1.849
17 HB3 TRP 2 3HB TRP 2 3.714 -5.784 -3.086
18 HD1 TRP 2 HD1 TRP 2 6.437 -5.399 -1.653
19 HE1 TRP 2 HE1 TRP 2 7.083 -6.836 0.382
20 HE3 TRP 2 HE3 TRP 2 1.765 -6.845 -0.164
21 HZ2 TRP 2 HZ2 TRP 2 5.785 -8.379 2.356
22 HZ3 TRP 2 HZ3 TRP 2 1.554 -8.302 1.807
23 HH2 TRP 2 HH2 TRP 2 3.523 -9.053 3.040
24 H SER 3 H SER 3 6.104 -2.438 -2.753
25 HA SER 3 HA SER 3 6.103 -2.790 -5.649
26 HB2 SER 3 2HB SER 3 8.152 -1.186 -4.151
27 HB3 SER 3 3HB SER 3 7.513 -0.935 -5.776
28 HG SER 3 HG SER 3 5.427 -0.625 -4.450
29 H ILE 4 H ILE 4 6.717 -4.979 -5.766
30 HA ILE 4 HA ILE 4 9.533 -5.483 -5.054
31 HB ILE 4 HB ILE 4 8.881 -7.925 -4.999
32 HG12 ILE 4 2HG1 ILE 4 6.590 -7.244 -6.135
33 HG13 ILE 4 3HG1 ILE 4 6.683 -8.609 -5.027
34 HG21 ILE 4 1HG2 ILE 4 9.328 -6.653 -2.975
35 HG22 ILE 4 2HG2 ILE 4 7.657 -6.092 -2.941
36 HG23 ILE 4 3HG2 ILE 4 8.018 -7.802 -2.708
37 HD11 ILE 4 3HD1 ILE 4 5.607 -7.473 -3.334
38 HD12 ILE 4 1HD1 ILE 4 6.004 -5.890 -4.002
39 HD13 ILE 4 2HD1 ILE 4 4.775 -6.891 -4.776
40 H THR 5 H THR 5 10.448 -4.970 -7.005
41 HA THR 5 HA THR 5 9.470 -5.542 -9.541
42 HB THR 5 HB THR 5 11.251 -4.124 -9.706
43 HG1 THR 5 HG1 THR 5 12.701 -5.173 -10.918
44 HG21 THR 5 3HG2 THR 5 12.259 -3.895 -7.690
45 HG22 THR 5 1HG2 THR 5 13.489 -4.917 -8.431
46 HG23 THR 5 2HG2 THR 5 12.268 -5.630 -7.377
47 H THR 6 H THR 6 12.342 -7.227 -8.327
48 HA THR 6 HA THR 6 11.362 -9.672 -9.627
49 HB THR 6 HB THR 6 14.075 -8.561 -9.132
50 HG1 THR 6 HG1 THR 6 13.332 -8.503 -11.223
51 HG21 THR 6 3HG2 THR 6 13.471 -11.517 -9.197
52 HG22 THR 6 1HG2 THR 6 14.257 -10.620 -7.898
53 HG23 THR 6 2HG2 THR 6 15.073 -10.824 -9.449
54 H ILE 7 H ILE 7 12.545 -8.380 -6.586
55 HA ILE 7 HA ILE 7 12.969 -10.679 -5.124
56 HB ILE 7 HB ILE 7 13.219 -8.206 -4.414
57 HG12 ILE 7 2HG1 ILE 7 12.103 -10.065 -2.317
58 HG13 ILE 7 3HG1 ILE 7 13.678 -10.324 -3.058
59 HG21 ILE 7 1HG2 ILE 7 10.827 -7.660 -4.720
60 HG22 ILE 7 2HG2 ILE 7 10.439 -8.729 -3.373
61 HG23 ILE 7 3HG2 ILE 7 11.417 -7.287 -3.100
62 HD11 ILE 7 3HD1 ILE 7 14.602 -8.475 -2.049
63 HD12 ILE 7 1HD1 ILE 7 13.040 -7.692 -1.812
64 HD13 ILE 7 2HD1 ILE 7 13.500 -9.065 -0.805
65 H HIS 8 H HIS 8 10.012 -9.454 -6.368
66 HA HIS 8 HA HIS 8 8.071 -10.331 -4.661
67 HB2 HIS 8 2HB HIS 8 7.732 -9.185 -6.879
68 HB3 HIS 8 3HB HIS 8 7.958 -10.752 -7.651
69 HD1 HIS 8 HD1 HIS 8 5.406 -9.980 -8.445
70 HD2 HIS 8 HD2 HIS 8 5.922 -11.335 -4.552
71 HE1 HIS 8 HE1 HIS 8 3.111 -10.637 -7.653
72 H ASN 9 H ASN 9 10.200 -12.261 -6.628
73 HA ASN 9 HA ASN 9 8.772 -14.691 -6.542
74 HB2 ASN 9 2HB ASN 9 11.320 -13.778 -7.484
75 HB3 ASN 9 3HB ASN 9 11.550 -15.263 -6.566
76 HD21 ASN 9 1HD2 ASN 9 10.228 -13.827 -9.405
77 HD22 ASN 9 2HD2 ASN 9 9.775 -15.295 -10.196
78 H LEU 10 H LEU 10 11.299 -13.357 -4.440
79 HA LEU 10 HA LEU 10 11.397 -15.613 -2.709
80 HB2 LEU 10 2HB LEU 10 13.299 -14.208 -2.787
81 HB3 LEU 10 3HB LEU 10 12.337 -12.770 -2.448
82 HG LEU 10 HG LEU 10 11.995 -13.517 -0.157
83 HD11 LEU 10 1HD1 LEU 10 12.054 -15.952 -0.674
84 HD12 LEU 10 2HD1 LEU 10 13.018 -15.488 0.728
85 HD13 LEU 10 3HD1 LEU 10 13.808 -15.832 -0.811
86 HD21 LEU 10 3HD2 LEU 10 13.830 -12.189 -0.092
87 HD22 LEU 10 1HD2 LEU 10 14.700 -13.142 -1.294
88 HD23 LEU 10 2HD2 LEU 10 14.608 -13.702 0.375
89 H PHE 11 H PHE 11 9.091 -13.225 -3.138
90 HA PHE 11 HA PHE 11 8.150 -13.385 -0.363
91 HB2 PHE 11 2HB PHE 11 7.598 -11.479 -2.620
92 HB3 PHE 11 3HB PHE 11 6.502 -11.587 -1.246
93 HD1 PHE 11 HD1 PHE 11 7.400 -11.128 1.056
94 HD2 PHE 11 HD2 PHE 11 9.596 -10.266 -2.486
95 HE1 PHE 11 HE1 PHE 11 8.841 -9.592 2.328
96 HE2 PHE 11 HE2 PHE 11 11.042 -8.730 -1.220
97 HZ PHE 11 HZ PHE 11 10.666 -8.392 1.191
98 H ARG 12 H ARG 12 7.126 -13.926 -3.702
99 HA ARG 12 HA ARG 12 4.492 -14.589 -3.395
100 HB2 ARG 12 2HB ARG 12 4.611 -15.648 -5.451
101 HB3 ARG 12 3HB ARG 12 6.025 -14.604 -5.503
102 HG2 ARG 12 2HG ARG 12 7.270 -16.681 -4.565
103 HG3 ARG 12 3HG ARG 12 5.871 -17.565 -5.180
104 HD2 ARG 12 2HD ARG 12 6.918 -15.637 -7.091
105 HD3 ARG 12 3HD ARG 12 8.112 -16.846 -6.621
106 HE ARG 12 HE ARG 12 5.802 -18.241 -7.177
107 HH11 ARG 12 1HH1 ARG 12 7.948 -16.102 -8.892
108 HH12 ARG 12 2HH1 ARG 12 7.650 -16.831 -10.436
109 HH21 ARG 12 1HH2 ARG 12 5.402 -19.208 -9.204
110 HH22 ARG 12 2HH2 ARG 12 6.202 -18.597 -10.612
111 H LYS 13 H LYS 13 7.272 -16.378 -2.339
112 HA LYS 13 HA LYS 13 5.569 -18.650 -1.577
113 HB2 LYS 13 2HB LYS 13 7.864 -18.788 -2.916
114 HB3 LYS 13 3HB LYS 13 8.534 -18.747 -1.291
115 HG2 LYS 13 2HG LYS 13 6.818 -20.651 -0.833
116 HG3 LYS 13 3HG LYS 13 6.838 -20.827 -2.589
117 HD2 LYS 13 2HD LYS 13 9.505 -20.658 -1.986
118 HD3 LYS 13 3HD LYS 13 8.861 -21.544 -0.601
119 HE2 LYS 13 2HE LYS 13 9.246 -23.295 -2.005
120 HE3 LYS 13 3HE LYS 13 7.610 -22.882 -2.517
121 HZ1 LYS 13 3HZ LYS 13 9.137 -23.204 -4.390
122 HZ2 LYS 13 1HZ LYS 13 10.092 -21.922 -3.835
123 HZ3 LYS 13 2HZ LYS 13 8.508 -21.634 -4.352
124 H LEU 14 H LEU 14 7.924 -16.334 -0.324
125 HA LEU 14 HA LEU 14 7.972 -17.294 2.328
126 HB2 LEU 14 2HB LEU 14 9.713 -15.854 1.591
127 HB3 LEU 14 3HB LEU 14 8.565 -14.596 1.137
128 HG LEU 14 HG LEU 14 9.985 -14.306 3.278
129 HD11 LEU 14 1HD1 LEU 14 7.824 -13.086 2.434
130 HD12 LEU 14 2HD1 LEU 14 8.432 -12.819 4.067
131 HD13 LEU 14 3HD1 LEU 14 7.079 -13.917 3.800
132 HD21 LEU 14 3HD2 LEU 14 9.017 -16.709 3.964
133 HD22 LEU 14 1HD2 LEU 14 7.796 -15.679 4.710
134 HD23 LEU 14 2HD2 LEU 14 9.495 -15.487 5.144
135 H THR 15 H THR 15 6.153 -14.617 0.846
136 HA THR 15 HA THR 15 4.406 -14.579 3.212
137 HB THR 15 HB THR 15 5.454 -12.424 2.669
138 HG1 THR 15 HG1 THR 15 3.398 -11.247 2.463
139 HG21 THR 15 3HG2 THR 15 4.682 -11.231 0.604
140 HG22 THR 15 1HG2 THR 15 4.020 -12.764 0.036
141 HG23 THR 15 2HG2 THR 15 5.756 -12.596 0.300
142 H HIS 16 H HIS 16 4.270 -16.506 0.960
143 HA HIS 16 HA HIS 16 2.278 -16.010 -0.873
144 HB2 HIS 16 2HB HIS 16 3.708 -18.098 -0.642
145 HB3 HIS 16 3HB HIS 16 2.562 -18.641 0.580
146 HD1 HIS 16 HD1 HIS 16 -0.051 -18.651 -0.393
147 HD2 HIS 16 HD2 HIS 16 3.066 -18.942 -3.123
148 HE1 HIS 16 HE1 HIS 16 -1.075 -19.606 -2.482
149 H ARG 17 H ARG 17 1.999 -16.526 2.548
150 HA ARG 17 HA ARG 17 -0.705 -17.259 2.705
151 HB2 ARG 17 2HB ARG 17 -0.563 -16.278 5.033
152 HB3 ARG 17 3HB ARG 17 0.628 -17.514 4.652
153 HG2 ARG 17 2HG ARG 17 2.373 -16.033 4.651
154 HG3 ARG 17 3HG ARG 17 1.347 -14.658 4.237
155 HD2 ARG 17 2HD ARG 17 0.296 -15.051 6.569
156 HD3 ARG 17 3HD ARG 17 1.759 -15.981 6.892
157 HE ARG 17 HE ARG 17 2.256 -13.347 5.849
158 HH11 ARG 17 1HH1 ARG 17 1.701 -15.243 8.715
159 HH12 ARG 17 2HH1 ARG 17 2.488 -14.118 9.770
160 HH21 ARG 17 1HH2 ARG 17 3.295 -11.857 7.228
161 HH22 ARG 17 2HH2 ARG 17 3.394 -12.191 8.924
162 H LEU 18 H LEU 18 0.839 -14.186 2.182
163 HA LEU 18 HA LEU 18 -1.739 -12.803 2.434
164 HB2 LEU 18 2HB LEU 18 0.845 -11.388 1.962
165 HB3 LEU 18 3HB LEU 18 -0.600 -10.829 2.801
166 HG LEU 18 HG LEU 18 1.518 -12.705 3.835
167 HD11 LEU 18 1HD1 LEU 18 2.202 -10.456 4.059
168 HD12 LEU 18 2HD1 LEU 18 1.589 -10.941 5.639
169 HD13 LEU 18 3HD1 LEU 18 0.597 -9.941 4.578
170 HD21 LEU 18 3HD2 LEU 18 -0.386 -13.678 4.718
171 HD22 LEU 18 1HD2 LEU 18 -1.251 -12.144 4.817
172 HD23 LEU 18 2HD2 LEU 18 0.044 -12.501 5.960
173 H PHE 19 H PHE 19 0.896 -13.476 0.204
174 HA PHE 19 HA PHE 19 -0.469 -12.025 -1.933
175 HB2 PHE 19 2HB PHE 19 2.261 -12.635 -1.336
176 HB3 PHE 19 3HB PHE 19 1.860 -13.330 -2.903
177 HD1 PHE 19 HD2 PHE 19 1.122 -11.889 -4.747
178 HD2 PHE 19 HD1 PHE 19 2.393 -10.277 -1.018
179 HE1 PHE 19 HE2 PHE 19 1.379 -9.678 -5.794
180 HE2 PHE 19 HE1 PHE 19 2.651 -8.063 -2.059
181 HZ PHE 19 HZ PHE 19 2.146 -7.761 -4.451
182 H ARG 20 H ARG 20 -1.481 -14.556 -0.758
183 HA ARG 20 HA ARG 20 -1.039 -16.746 -2.435
184 HB2 ARG 20 2HB ARG 20 -2.167 -17.099 -0.366
185 HB3 ARG 20 3HB ARG 20 -3.426 -15.943 -0.778
186 HG2 ARG 20 2HG ARG 20 -3.137 -18.223 -2.617
187 HG3 ARG 20 3HG ARG 20 -3.701 -18.607 -0.990
188 HD2 ARG 20 2HD ARG 20 -5.705 -17.677 -1.349
189 HD3 ARG 20 3HD ARG 20 -5.003 -16.265 -2.138
190 HE ARG 20 HE ARG 20 -4.765 -18.297 -3.963
191 HH11 ARG 20 1HH1 ARG 20 -7.382 -16.795 -2.224
192 HH12 ARG 20 2HH1 ARG 20 -8.551 -17.093 -3.467
193 HH21 ARG 20 1HH2 ARG 20 -6.296 -18.694 -5.607
194 HH22 ARG 20 2HH2 ARG 20 -7.933 -18.173 -5.390
195 H ARG 21 H ARG 21 -2.902 -13.869 -2.909
196 HA ARG 21 HA ARG 21 -4.240 -14.999 -5.254
197 HB2 ARG 21 2HB ARG 21 -5.605 -13.004 -5.252
198 HB3 ARG 21 3HB ARG 21 -5.578 -13.687 -3.632
199 HG2 ARG 21 2HG ARG 21 -3.903 -12.026 -2.968
200 HG3 ARG 21 3HG ARG 21 -3.965 -11.331 -4.589
201 HD2 ARG 21 2HD ARG 21 -6.306 -11.540 -2.698
202 HD3 ARG 21 3HD ARG 21 -5.336 -10.089 -2.950
203 HE ARG 21 HE ARG 21 -6.256 -10.904 -5.441
204 HH11 ARG 21 1HH1 ARG 21 -7.579 -9.773 -2.426
205 HH12 ARG 21 2HH1 ARG 21 -8.966 -9.040 -3.160
206 HH21 ARG 21 1HH2 ARG 21 -8.078 -9.943 -6.419
207 HH22 ARG 21 2HH2 ARG 21 -9.250 -9.138 -5.431
Start of MODEL 18
1 H1 ARG 1 H ARG 1 1.542 -0.524 -0.889
2 HA ARG 1 HA ARG 1 2.113 0.237 -3.646
3 HB2 ARG 1 2HB ARG 1 2.973 1.809 -1.223
4 HB3 ARG 1 3HB ARG 1 3.843 1.897 -2.749
5 HG2 ARG 1 2HG ARG 1 1.693 2.583 -3.833
6 HG3 ARG 1 3HG ARG 1 0.994 2.694 -2.217
7 HD2 ARG 1 2HD ARG 1 3.094 4.196 -1.755
8 HD3 ARG 1 3HD ARG 1 3.083 4.386 -3.508
9 HE ARG 1 HE ARG 1 0.507 4.892 -2.694
10 HH11 ARG 1 1HH1 ARG 1 3.661 6.208 -2.033
11 HH12 ARG 1 2HH1 ARG 1 3.073 7.808 -1.727
12 HH21 ARG 1 1HH2 ARG 1 -0.280 6.995 -2.293
13 HH22 ARG 1 2HH2 ARG 1 0.831 8.255 -1.874
14 H TRP 2 H TRP 2 2.493 -2.237 -2.927
15 HA TRP 2 HA TRP 2 5.008 -2.750 -1.660
16 HB2 TRP 2 2HB TRP 2 2.779 -4.264 -2.231
17 HB3 TRP 2 3HB TRP 2 3.962 -4.879 -3.382
18 HD1 TRP 2 HD1 TRP 2 6.570 -4.936 -1.722
19 HE1 TRP 2 HE1 TRP 2 6.827 -6.494 0.310
20 HE3 TRP 2 HE3 TRP 2 1.629 -5.705 -0.659
21 HZ2 TRP 2 HZ2 TRP 2 5.156 -7.868 2.124
22 HZ3 TRP 2 HZ3 TRP 2 1.043 -7.155 1.240
23 HH2 TRP 2 HH2 TRP 2 2.771 -8.213 2.601
24 H SER 3 H SER 3 6.768 -1.952 -2.659
25 HA SER 3 HA SER 3 7.036 -2.184 -5.552
26 HB2 SER 3 2HB SER 3 9.390 -1.079 -4.647
27 HB3 SER 3 3HB SER 3 7.972 -0.167 -5.164
28 HG SER 3 HG SER 3 7.543 0.328 -3.149
29 H ILE 4 H ILE 4 7.288 -4.427 -5.774
30 HA ILE 4 HA ILE 4 9.860 -5.471 -4.782
31 HB ILE 4 HB ILE 4 8.799 -7.754 -5.019
32 HG12 ILE 4 2HG1 ILE 4 6.827 -6.578 -6.352
33 HG13 ILE 4 3HG1 ILE 4 6.549 -8.028 -5.393
34 HG21 ILE 4 1HG2 ILE 4 9.181 -6.755 -2.850
35 HG22 ILE 4 2HG2 ILE 4 7.675 -5.847 -2.973
36 HG23 ILE 4 3HG2 ILE 4 7.636 -7.605 -2.850
37 HD11 ILE 4 3HD1 ILE 4 4.926 -6.039 -5.183
38 HD12 ILE 4 1HD1 ILE 4 5.464 -6.864 -3.720
39 HD13 ILE 4 2HD1 ILE 4 6.188 -5.323 -4.181
40 H THR 5 H THR 5 11.108 -5.016 -6.553
41 HA THR 5 HA THR 5 10.325 -5.354 -9.235
42 HB THR 5 HB THR 5 12.764 -5.293 -9.751
43 HG1 THR 5 HG1 THR 5 14.147 -4.893 -7.890
44 HG21 THR 5 3HG2 THR 5 12.851 -3.045 -9.462
45 HG22 THR 5 1HG2 THR 5 12.436 -3.140 -7.751
46 HG23 THR 5 2HG2 THR 5 11.171 -3.270 -8.974
47 H THR 6 H THR 6 12.966 -7.226 -7.794
48 HA THR 6 HA THR 6 12.020 -9.570 -9.289
49 HB THR 6 HB THR 6 14.708 -8.620 -8.448
50 HG1 THR 6 HG1 THR 6 15.182 -9.446 -10.540
51 HG21 THR 6 3HG2 THR 6 13.962 -11.536 -8.666
52 HG22 THR 6 1HG2 THR 6 14.669 -10.714 -7.275
53 HG23 THR 6 2HG2 THR 6 15.617 -10.932 -8.746
54 H ILE 7 H ILE 7 12.796 -8.414 -6.085
55 HA ILE 7 HA ILE 7 12.981 -10.781 -4.664
56 HB ILE 7 HB ILE 7 13.035 -8.199 -3.937
57 HG12 ILE 7 2HG1 ILE 7 12.257 -10.263 -1.892
58 HG13 ILE 7 3HG1 ILE 7 13.790 -10.374 -2.750
59 HG21 ILE 7 1HG2 ILE 7 10.563 -8.029 -4.149
60 HG22 ILE 7 2HG2 ILE 7 10.415 -9.184 -2.825
61 HG23 ILE 7 3HG2 ILE 7 11.171 -7.616 -2.546
62 HD11 ILE 7 3HD1 ILE 7 14.412 -8.166 -1.910
63 HD12 ILE 7 1HD1 ILE 7 12.882 -8.072 -1.039
64 HD13 ILE 7 2HD1 ILE 7 14.072 -9.298 -0.601
65 H HIS 8 H HIS 8 10.255 -9.419 -6.241
66 HA HIS 8 HA HIS 8 8.092 -10.314 -4.806
67 HB2 HIS 8 2HB HIS 8 8.176 -9.031 -7.046
68 HB3 HIS 8 3HB HIS 8 8.195 -10.624 -7.798
69 HD1 HIS 8 HD1 HIS 8 5.846 -9.037 -8.540
70 HD2 HIS 8 HD2 HIS 8 5.915 -11.269 -5.037
71 HE1 HIS 8 HE1 HIS 8 3.434 -9.420 -7.940
72 H ASN 9 H ASN 9 10.434 -12.181 -6.536
73 HA ASN 9 HA ASN 9 8.901 -14.561 -6.811
74 HB2 ASN 9 2HB ASN 9 11.297 -13.715 -7.799
75 HB3 ASN 9 3HB ASN 9 11.825 -14.856 -6.566
76 HD21 ASN 9 1HD2 ASN 9 12.339 -16.677 -7.538
77 HD22 ASN 9 2HD2 ASN 9 11.396 -17.489 -8.737
78 H LEU 10 H LEU 10 11.464 -13.622 -4.518
79 HA LEU 10 HA LEU 10 11.275 -15.931 -2.918
80 HB2 LEU 10 2HB LEU 10 13.238 -14.722 -2.660
81 HB3 LEU 10 3HB LEU 10 12.387 -13.186 -2.514
82 HG LEU 10 HG LEU 10 11.986 -15.190 -0.360
83 HD11 LEU 10 1HD1 LEU 10 14.237 -15.463 -0.239
84 HD12 LEU 10 2HD1 LEU 10 14.100 -13.955 0.665
85 HD13 LEU 10 3HD1 LEU 10 14.581 -13.925 -1.031
86 HD21 LEU 10 3HD2 LEU 10 12.209 -12.997 0.954
87 HD22 LEU 10 1HD2 LEU 10 10.782 -13.216 -0.058
88 HD23 LEU 10 2HD2 LEU 10 12.114 -12.205 -0.620
89 H PHE 11 H PHE 11 9.433 -12.989 -3.014
90 HA PHE 11 HA PHE 11 8.197 -13.440 -0.436
91 HB2 PHE 11 2HB PHE 11 7.990 -11.340 -2.556
92 HB3 PHE 11 3HB PHE 11 6.696 -11.489 -1.372
93 HD1 PHE 11 HD2 PHE 11 10.382 -11.101 -1.646
94 HD2 PHE 11 HD1 PHE 11 6.883 -10.452 0.690
95 HE1 PHE 11 HE2 PHE 11 11.699 -9.772 -0.048
96 HE2 PHE 11 HE1 PHE 11 8.195 -9.121 2.291
97 HZ PHE 11 HZ PHE 11 10.606 -8.781 1.924
98 H ARG 12 H ARG 12 7.274 -13.619 -3.851
99 HA ARG 12 HA ARG 12 4.603 -14.147 -3.699
100 HB2 ARG 12 2HB ARG 12 5.511 -14.020 -5.856
101 HB3 ARG 12 3HB ARG 12 6.733 -15.237 -5.513
102 HG2 ARG 12 2HG ARG 12 4.962 -16.038 -7.024
103 HG3 ARG 12 3HG ARG 12 5.078 -16.980 -5.537
104 HD2 ARG 12 2HD ARG 12 2.954 -16.545 -5.056
105 HD3 ARG 12 3HD ARG 12 3.262 -14.811 -5.139
106 HE ARG 12 HE ARG 12 2.040 -16.457 -7.159
107 HH11 ARG 12 1HH1 ARG 12 3.744 -13.492 -6.508
108 HH12 ARG 12 2HH1 ARG 12 3.142 -12.684 -7.917
109 HH21 ARG 12 1HH2 ARG 12 1.241 -15.404 -9.018
110 HH22 ARG 12 2HH2 ARG 12 1.718 -13.772 -9.344
111 H LYS 13 H LYS 13 7.223 -16.207 -2.719
112 HA LYS 13 HA LYS 13 5.363 -18.426 -2.231
113 HB2 LYS 13 2HB LYS 13 7.728 -18.577 -3.432
114 HB3 LYS 13 3HB LYS 13 8.297 -18.693 -1.772
115 HG2 LYS 13 2HG LYS 13 6.480 -20.542 -1.563
116 HG3 LYS 13 3HG LYS 13 6.588 -20.582 -3.325
117 HD2 LYS 13 2HD LYS 13 8.629 -21.541 -3.301
118 HD3 LYS 13 3HD LYS 13 9.170 -20.592 -1.914
119 HE2 LYS 13 2HE LYS 13 7.631 -22.068 -0.518
120 HE3 LYS 13 3HE LYS 13 7.537 -23.116 -1.932
121 HZ1 LYS 13 3HZ LYS 13 10.117 -22.311 -0.722
122 HZ2 LYS 13 1HZ LYS 13 9.827 -23.562 -1.824
123 HZ3 LYS 13 2HZ LYS 13 9.277 -23.695 -0.231
124 H LEU 14 H LEU 14 7.715 -16.330 -0.639
125 HA LEU 14 HA LEU 14 7.535 -17.514 1.922
126 HB2 LEU 14 2HB LEU 14 9.401 -16.182 1.641
127 HB3 LEU 14 3HB LEU 14 8.488 -14.890 0.865
128 HG LEU 14 HG LEU 14 7.707 -14.063 2.928
129 HD11 LEU 14 1HD1 LEU 14 8.682 -15.542 4.999
130 HD12 LEU 14 2HD1 LEU 14 8.232 -16.793 3.840
131 HD13 LEU 14 3HD1 LEU 14 7.031 -15.622 4.385
132 HD21 LEU 14 3HD2 LEU 14 10.481 -14.916 3.671
133 HD22 LEU 14 1HD2 LEU 14 9.671 -13.376 3.960
134 HD23 LEU 14 2HD2 LEU 14 10.202 -13.800 2.333
135 H THR 15 H THR 15 6.018 -14.573 0.598
136 HA THR 15 HA THR 15 4.177 -14.520 2.870
137 HB THR 15 HB THR 15 5.249 -12.401 2.274
138 HG1 THR 15 HG1 THR 15 3.411 -11.261 2.507
139 HG21 THR 15 3HG2 THR 15 4.370 -11.311 0.106
140 HG22 THR 15 1HG2 THR 15 4.016 -12.962 -0.404
141 HG23 THR 15 2HG2 THR 15 5.673 -12.493 -0.021
142 H HIS 16 H HIS 16 4.102 -16.434 0.508
143 HA HIS 16 HA HIS 16 2.019 -15.918 -1.227
144 HB2 HIS 16 2HB HIS 16 3.545 -17.925 -1.243
145 HB3 HIS 16 3HB HIS 16 2.553 -18.610 0.040
146 HD1 HIS 16 HD1 HIS 16 1.111 -20.352 -0.938
147 HD2 HIS 16 HD2 HIS 16 1.485 -17.073 -3.462
148 HE1 HIS 16 HE1 HIS 16 -0.351 -20.859 -2.921
149 H ARG 17 H ARG 17 1.908 -16.552 2.162
150 HA ARG 17 HA ARG 17 -0.762 -17.465 2.356
151 HB2 ARG 17 2HB ARG 17 0.906 -15.988 4.401
152 HB3 ARG 17 3HB ARG 17 -0.581 -16.866 4.734
153 HG2 ARG 17 2HG ARG 17 0.664 -18.649 5.148
154 HG3 ARG 17 3HG ARG 17 1.057 -18.700 3.429
155 HD2 ARG 17 2HD ARG 17 3.168 -18.590 4.266
156 HD3 ARG 17 3HD ARG 17 2.824 -16.864 4.172
157 HE ARG 17 HE ARG 17 1.989 -17.655 6.671
158 HH11 ARG 17 1HH1 ARG 17 4.975 -17.675 4.882
159 HH12 ARG 17 2HH1 ARG 17 5.972 -17.524 6.291
160 HH21 ARG 17 1HH2 ARG 17 3.290 -17.456 8.534
161 HH22 ARG 17 2HH2 ARG 17 5.012 -17.400 8.368
162 H LEU 18 H LEU 18 0.646 -14.324 1.961
163 HA LEU 18 HA LEU 18 -1.986 -13.075 2.386
164 HB2 LEU 18 2HB LEU 18 -0.610 -11.926 3.806
165 HB3 LEU 18 3HB LEU 18 0.807 -12.140 2.780
166 HG LEU 18 HG LEU 18 -0.066 -10.415 1.254
167 HD11 LEU 18 1HD1 LEU 18 -2.483 -10.859 1.997
168 HD12 LEU 18 2HD1 LEU 18 -2.007 -9.195 1.659
169 HD13 LEU 18 3HD1 LEU 18 -2.127 -9.755 3.327
170 HD21 LEU 18 3HD2 LEU 18 1.289 -10.049 3.526
171 HD22 LEU 18 1HD2 LEU 18 -0.140 -9.083 3.895
172 HD23 LEU 18 2HD2 LEU 18 0.824 -8.718 2.464
173 H PHE 19 H PHE 19 0.788 -13.253 0.208
174 HA PHE 19 HA PHE 19 -0.636 -11.691 -1.806
175 HB2 PHE 19 2HB PHE 19 2.106 -12.086 -1.151
176 HB3 PHE 19 3HB PHE 19 1.853 -12.690 -2.785
177 HD1 PHE 19 HD1 PHE 19 -0.101 -10.912 -3.914
178 HD2 PHE 19 HD2 PHE 19 3.133 -10.036 -1.289
179 HE1 PHE 19 HE1 PHE 19 -0.029 -8.609 -4.777
180 HE2 PHE 19 HE2 PHE 19 3.210 -7.731 -2.147
181 HZ PHE 19 HZ PHE 19 1.627 -7.015 -3.893
182 H ARG 20 H ARG 20 -1.520 -14.379 -1.016
183 HA ARG 20 HA ARG 20 -0.828 -16.404 -2.751
184 HB2 ARG 20 2HB ARG 20 -3.262 -17.149 -2.469
185 HB3 ARG 20 3HB ARG 20 -2.297 -16.970 -1.009
186 HG2 ARG 20 2HG ARG 20 -3.338 -14.876 -0.500
187 HG3 ARG 20 3HG ARG 20 -4.181 -14.868 -2.051
188 HD2 ARG 20 2HD ARG 20 -5.587 -15.552 -0.098
189 HD3 ARG 20 3HD ARG 20 -5.530 -16.725 -1.413
190 HE ARG 20 HE ARG 20 -3.560 -17.248 0.585
191 HH11 ARG 20 1HH1 ARG 20 -6.929 -17.625 -0.206
192 HH12 ARG 20 2HH1 ARG 20 -7.143 -19.021 0.798
193 HH21 ARG 20 1HH2 ARG 20 -3.829 -19.086 1.910
194 HH22 ARG 20 2HH2 ARG 20 -5.379 -19.851 2.001
195 H ARG 21 H ARG 21 -2.791 -13.578 -3.347
196 HA ARG 21 HA ARG 21 -3.517 -14.556 -6.008
197 HB2 ARG 21 2HB ARG 21 -4.715 -12.757 -4.099
198 HB3 ARG 21 3HB ARG 21 -4.511 -11.949 -5.648
199 HG2 ARG 21 2HG ARG 21 -6.527 -12.866 -6.051
200 HG3 ARG 21 3HG ARG 21 -5.547 -14.264 -6.499
201 HD2 ARG 21 2HD ARG 21 -5.989 -14.275 -3.673
202 HD3 ARG 21 3HD ARG 21 -7.533 -14.095 -4.505
203 HE ARG 21 HE ARG 21 -5.896 -16.432 -4.412
204 HH11 ARG 21 1HH1 ARG 21 -8.175 -14.674 -6.371
205 HH12 ARG 21 2HH1 ARG 21 -8.714 -16.077 -7.233
206 HH21 ARG 21 1HH2 ARG 21 -6.597 -18.286 -5.541
207 HH22 ARG 21 2HH2 ARG 21 -7.816 -18.131 -6.760
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.289 1.759 -0.815
2 HA ARG 1 HA ARG 1 1.101 -0.503 -1.883
3 HB2 ARG 1 2HB ARG 1 2.269 0.133 -4.023
4 HB3 ARG 1 3HB ARG 1 1.128 1.323 -3.412
5 HG2 ARG 1 2HG ARG 1 2.736 2.856 -2.995
6 HG3 ARG 1 3HG ARG 1 3.939 1.638 -2.566
7 HD2 ARG 1 2HD ARG 1 4.725 2.533 -4.575
8 HD3 ARG 1 3HD ARG 1 3.935 1.031 -5.053
9 HE ARG 1 HE ARG 1 2.381 2.253 -6.212
10 HH11 ARG 1 1HH1 ARG 1 4.146 4.363 -4.077
11 HH12 ARG 1 2HH1 ARG 1 3.467 5.813 -4.738
12 HH21 ARG 1 1HH2 ARG 1 1.480 4.156 -7.090
13 HH22 ARG 1 2HH2 ARG 1 1.951 5.695 -6.451
14 H TRP 2 H TRP 2 2.292 -2.234 -2.867
15 HA TRP 2 HA TRP 2 4.767 -2.800 -1.424
16 HB2 TRP 2 2HB TRP 2 2.555 -4.355 -2.033
17 HB3 TRP 2 3HB TRP 2 3.775 -4.914 -3.174
18 HD1 TRP 2 HD1 TRP 2 6.359 -4.984 -1.526
19 HE1 TRP 2 HE1 TRP 2 6.632 -6.541 0.506
20 HE3 TRP 2 HE3 TRP 2 1.426 -5.765 -0.432
21 HZ2 TRP 2 HZ2 TRP 2 4.976 -7.918 2.330
22 HZ3 TRP 2 HZ3 TRP 2 0.856 -7.216 1.472
23 HH2 TRP 2 HH2 TRP 2 2.595 -8.269 2.823
24 H SER 3 H SER 3 6.438 -1.844 -2.463
25 HA SER 3 HA SER 3 6.645 -2.039 -5.363
26 HB2 SER 3 2HB SER 3 8.947 -0.792 -4.508
27 HB3 SER 3 3HB SER 3 7.462 0.031 -4.986
28 HG SER 3 HG SER 3 7.247 0.651 -3.001
29 H ILE 4 H ILE 4 7.029 -4.265 -5.600
30 HA ILE 4 HA ILE 4 9.680 -5.155 -4.666
31 HB ILE 4 HB ILE 4 8.753 -7.497 -4.952
32 HG12 ILE 4 2HG1 ILE 4 6.694 -6.411 -6.220
33 HG13 ILE 4 3HG1 ILE 4 6.511 -7.888 -5.280
34 HG21 ILE 4 1HG2 ILE 4 9.120 -6.505 -2.766
35 HG22 ILE 4 2HG2 ILE 4 7.542 -5.723 -2.836
36 HG23 ILE 4 3HG2 ILE 4 7.652 -7.481 -2.757
37 HD11 ILE 4 3HD1 ILE 4 5.401 -6.811 -3.566
38 HD12 ILE 4 1HD1 ILE 4 6.032 -5.227 -4.016
39 HD13 ILE 4 2HD1 ILE 4 4.789 -5.995 -5.004
40 H THR 5 H THR 5 10.841 -4.522 -6.460
41 HA THR 5 HA THR 5 10.129 -4.763 -9.125
42 HB THR 5 HB THR 5 12.053 -3.552 -8.961
43 HG1 THR 5 HG1 THR 5 13.423 -4.641 -10.182
44 HG21 THR 5 3HG2 THR 5 14.026 -4.678 -7.518
45 HG22 THR 5 1HG2 THR 5 12.624 -5.350 -6.686
46 HG23 THR 5 2HG2 THR 5 12.812 -3.602 -6.825
47 H THR 6 H THR 6 12.598 -6.891 -7.713
48 HA THR 6 HA THR 6 11.481 -9.097 -9.315
49 HB THR 6 HB THR 6 14.273 -8.283 -8.709
50 HG1 THR 6 HG1 THR 6 14.456 -9.259 -10.876
51 HG21 THR 6 3HG2 THR 6 13.383 -11.157 -8.918
52 HG22 THR 6 1HG2 THR 6 14.295 -10.406 -7.610
53 HG23 THR 6 2HG2 THR 6 15.042 -10.627 -9.192
54 H ILE 7 H ILE 7 12.577 -8.103 -6.156
55 HA ILE 7 HA ILE 7 12.845 -10.504 -4.831
56 HB ILE 7 HB ILE 7 13.038 -8.023 -3.982
57 HG12 ILE 7 2HG1 ILE 7 12.040 -10.048 -1.993
58 HG13 ILE 7 3HG1 ILE 7 13.575 -10.273 -2.825
59 HG21 ILE 7 1HG2 ILE 7 10.586 -7.634 -4.227
60 HG22 ILE 7 2HG2 ILE 7 10.326 -8.773 -2.907
61 HG23 ILE 7 3HG2 ILE 7 11.218 -7.279 -2.619
62 HD11 ILE 7 3HD1 ILE 7 14.606 -8.676 -1.626
63 HD12 ILE 7 1HD1 ILE 7 13.174 -7.650 -1.554
64 HD13 ILE 7 2HD1 ILE 7 13.325 -9.031 -0.467
65 H HIS 8 H HIS 8 9.996 -9.090 -6.138
66 HA HIS 8 HA HIS 8 7.945 -10.048 -4.604
67 HB2 HIS 8 2HB HIS 8 7.760 -8.694 -6.727
68 HB3 HIS 8 3HB HIS 8 7.960 -10.197 -7.622
69 HD1 HIS 8 HD1 HIS 8 5.477 -9.244 -8.449
70 HD2 HIS 8 HD2 HIS 8 5.765 -10.965 -4.679
71 HE1 HIS 8 HE1 HIS 8 3.126 -9.871 -7.816
72 H ASN 9 H ASN 9 10.135 -11.861 -6.603
73 HA ASN 9 HA ASN 9 8.613 -14.245 -6.788
74 HB2 ASN 9 2HB ASN 9 11.523 -13.583 -7.143
75 HB3 ASN 9 3HB ASN 9 10.976 -15.257 -7.180
76 HD21 ASN 9 1HD2 ASN 9 12.187 -13.857 -9.319
77 HD22 ASN 9 2HD2 ASN 9 11.038 -13.770 -10.607
78 H LEU 10 H LEU 10 11.200 -13.209 -4.584
79 HA LEU 10 HA LEU 10 11.193 -15.599 -3.049
80 HB2 LEU 10 2HB LEU 10 13.150 -14.292 -2.982
81 HB3 LEU 10 3HB LEU 10 12.254 -12.831 -2.573
82 HG LEU 10 HG LEU 10 11.810 -13.737 -0.338
83 HD11 LEU 10 1HD1 LEU 10 11.835 -16.116 -0.933
84 HD12 LEU 10 2HD1 LEU 10 12.906 -15.763 0.422
85 HD13 LEU 10 3HD1 LEU 10 13.578 -16.027 -1.187
86 HD21 LEU 10 3HD2 LEU 10 13.742 -12.334 -0.601
87 HD22 LEU 10 1HD2 LEU 10 14.705 -13.695 -1.177
88 HD23 LEU 10 2HD2 LEU 10 14.148 -13.655 0.496
89 H PHE 11 H PHE 11 9.034 -13.015 -3.228
90 HA PHE 11 HA PHE 11 8.063 -13.401 -0.492
91 HB2 PHE 11 2HB PHE 11 7.708 -11.271 -2.558
92 HB3 PHE 11 3HB PHE 11 6.452 -11.485 -1.344
93 HD1 PHE 11 HD2 PHE 11 9.982 -10.621 -1.892
94 HD2 PHE 11 HD1 PHE 11 6.795 -10.837 0.921
95 HE1 PHE 11 HE2 PHE 11 11.298 -9.282 -0.303
96 HE2 PHE 11 HE1 PHE 11 8.106 -9.497 2.515
97 HZ PHE 11 HZ PHE 11 10.361 -8.719 1.904
98 H ARG 12 H ARG 12 6.966 -13.550 -3.858
99 HA ARG 12 HA ARG 12 4.325 -14.165 -3.575
100 HB2 ARG 12 2HB ARG 12 4.379 -14.993 -5.731
101 HB3 ARG 12 3HB ARG 12 5.852 -14.034 -5.696
102 HG2 ARG 12 2HG ARG 12 6.989 -16.254 -5.003
103 HG3 ARG 12 3HG ARG 12 5.529 -17.002 -5.653
104 HD2 ARG 12 2HD ARG 12 6.615 -14.970 -7.421
105 HD3 ARG 12 3HD ARG 12 7.776 -16.253 -7.084
106 HE ARG 12 HE ARG 12 5.547 -17.631 -7.691
107 HH11 ARG 12 1HH1 ARG 12 7.201 -15.014 -9.283
108 HH12 ARG 12 2HH1 ARG 12 6.717 -15.503 -10.873
109 HH21 ARG 12 1HH2 ARG 12 4.903 -18.285 -9.779
110 HH22 ARG 12 2HH2 ARG 12 5.409 -17.363 -11.154
111 H LYS 13 H LYS 13 7.052 -16.149 -2.753
112 HA LYS 13 HA LYS 13 5.294 -18.440 -2.223
113 HB2 LYS 13 2HB LYS 13 7.619 -18.476 -3.523
114 HB3 LYS 13 3HB LYS 13 8.248 -18.624 -1.887
115 HG2 LYS 13 2HG LYS 13 6.490 -20.531 -1.676
116 HG3 LYS 13 3HG LYS 13 6.545 -20.517 -3.440
117 HD2 LYS 13 2HD LYS 13 9.202 -20.467 -2.762
118 HD3 LYS 13 3HD LYS 13 8.507 -21.492 -1.504
119 HE2 LYS 13 2HE LYS 13 7.401 -22.816 -3.314
120 HE3 LYS 13 3HE LYS 13 8.310 -21.867 -4.489
121 HZ1 LYS 13 3HZ LYS 13 10.360 -22.637 -3.325
122 HZ2 LYS 13 1HZ LYS 13 9.498 -23.863 -4.109
123 HZ3 LYS 13 2HZ LYS 13 9.398 -23.701 -2.429
124 H LEU 14 H LEU 14 7.664 -16.309 -0.700
125 HA LEU 14 HA LEU 14 7.620 -17.533 1.846
126 HB2 LEU 14 2HB LEU 14 9.442 -16.145 1.458
127 HB3 LEU 14 3HB LEU 14 8.437 -14.844 0.823
128 HG LEU 14 HG LEU 14 7.816 -14.126 2.966
129 HD11 LEU 14 1HD1 LEU 14 8.409 -16.899 3.711
130 HD12 LEU 14 2HD1 LEU 14 7.208 -15.780 4.353
131 HD13 LEU 14 3HD1 LEU 14 8.879 -15.693 4.909
132 HD21 LEU 14 3HD2 LEU 14 10.136 -14.238 4.228
133 HD22 LEU 14 1HD2 LEU 14 9.920 -13.265 2.773
134 HD23 LEU 14 2HD2 LEU 14 10.683 -14.852 2.667
135 H THR 15 H THR 15 5.986 -14.603 0.642
136 HA THR 15 HA THR 15 4.247 -14.622 2.992
137 HB THR 15 HB THR 15 5.240 -12.472 2.362
138 HG1 THR 15 HG1 THR 15 3.170 -12.432 3.319
139 HG21 THR 15 3HG2 THR 15 4.221 -11.387 0.253
140 HG22 THR 15 1HG2 THR 15 3.883 -13.041 -0.254
141 HG23 THR 15 2HG2 THR 15 5.545 -12.533 0.047
142 H HIS 16 H HIS 16 4.095 -16.539 0.656
143 HA HIS 16 HA HIS 16 1.945 -16.073 -1.005
144 HB2 HIS 16 2HB HIS 16 1.769 -18.453 -1.273
145 HB3 HIS 16 3HB HIS 16 3.474 -18.062 -1.072
146 HD1 HIS 16 HD1 HIS 16 1.687 -20.761 -0.316
147 HD2 HIS 16 HD2 HIS 16 3.590 -18.063 2.206
148 HE1 HIS 16 HE1 HIS 16 2.076 -22.008 1.833
149 H ARG 17 H ARG 17 1.960 -16.665 2.395
150 HA ARG 17 HA ARG 17 -0.687 -17.599 2.705
151 HB2 ARG 17 2HB ARG 17 1.143 -16.126 4.605
152 HB3 ARG 17 3HB ARG 17 -0.417 -16.791 5.071
153 HG2 ARG 17 2HG ARG 17 0.529 -18.750 5.457
154 HG3 ARG 17 3HG ARG 17 1.046 -18.841 3.772
155 HD2 ARG 17 2HD ARG 17 2.940 -19.059 5.304
156 HD3 ARG 17 3HD ARG 17 3.074 -17.607 4.313
157 HE ARG 17 HE ARG 17 2.890 -16.328 6.209
158 HH11 ARG 17 1HH1 ARG 17 1.991 -19.613 6.932
159 HH12 ARG 17 2HH1 ARG 17 1.927 -19.356 8.644
160 HH21 ARG 17 1HH2 ARG 17 2.809 -15.978 8.462
161 HH22 ARG 17 2HH2 ARG 17 2.392 -17.288 9.513
162 H LEU 18 H LEU 18 0.659 -14.443 2.202
163 HA LEU 18 HA LEU 18 -1.983 -13.231 2.668
164 HB2 LEU 18 2HB LEU 18 -0.601 -12.035 4.042
165 HB3 LEU 18 3HB LEU 18 0.800 -12.243 2.993
166 HG LEU 18 HG LEU 18 -0.098 -10.549 1.467
167 HD11 LEU 18 1HD1 LEU 18 -2.205 -9.859 1.523
168 HD12 LEU 18 2HD1 LEU 18 -2.077 -9.426 3.228
169 HD13 LEU 18 3HD1 LEU 18 -2.511 -11.072 2.767
170 HD21 LEU 18 3HD2 LEU 18 0.443 -8.669 2.778
171 HD22 LEU 18 1HD2 LEU 18 1.364 -10.006 3.469
172 HD23 LEU 18 2HD2 LEU 18 -0.108 -9.446 4.264
173 H PHE 19 H PHE 19 0.777 -13.321 0.455
174 HA PHE 19 HA PHE 19 -0.745 -11.861 -1.562
175 HB2 PHE 19 2HB PHE 19 2.023 -12.130 -0.939
176 HB3 PHE 19 3HB PHE 19 1.771 -12.748 -2.568
177 HD1 PHE 19 HD1 PHE 19 -0.287 -11.055 -3.657
178 HD2 PHE 19 HD2 PHE 19 2.969 -10.042 -1.109
179 HE1 PHE 19 HE1 PHE 19 -0.329 -8.753 -4.524
180 HE2 PHE 19 HE2 PHE 19 2.931 -7.738 -1.971
181 HZ PHE 19 HZ PHE 19 1.280 -7.091 -3.681
182 H ARG 20 H ARG 20 -1.547 -14.543 -0.755
183 HA ARG 20 HA ARG 20 -0.774 -16.586 -2.433
184 HB2 ARG 20 2HB ARG 20 -2.822 -17.659 -1.917
185 HB3 ARG 20 3HB ARG 20 -2.422 -16.686 -0.508
186 HG2 ARG 20 2HG ARG 20 -3.938 -14.905 -1.655
187 HG3 ARG 20 3HG ARG 20 -4.579 -16.299 -2.527
188 HD2 ARG 20 2HD ARG 20 -4.458 -17.101 0.141
189 HD3 ARG 20 3HD ARG 20 -5.057 -15.444 0.189
190 HE ARG 20 HE ARG 20 -6.473 -16.818 -1.785
191 HH11 ARG 20 1HH1 ARG 20 -6.073 -16.842 1.673
192 HH12 ARG 20 2HH1 ARG 20 -7.667 -17.445 1.984
193 HH21 ARG 20 1HH2 ARG 20 -8.574 -17.612 -1.389
194 HH22 ARG 20 2HH2 ARG 20 -9.089 -17.883 0.242
195 H ARG 21 H ARG 21 -2.801 -13.828 -3.128
196 HA ARG 21 HA ARG 21 -3.973 -14.743 -5.515
197 HB2 ARG 21 2HB ARG 21 -3.858 -12.302 -4.029
198 HB3 ARG 21 3HB ARG 21 -3.530 -11.947 -5.720
199 HG2 ARG 21 2HG ARG 21 -5.802 -11.756 -5.688
200 HG3 ARG 21 3HG ARG 21 -5.635 -13.460 -6.118
201 HD2 ARG 21 2HD ARG 21 -6.405 -14.182 -4.108
202 HD3 ARG 21 3HD ARG 21 -5.718 -12.815 -3.233
203 HE ARG 21 HE ARG 21 -7.795 -11.846 -4.814
204 HH11 ARG 21 1HH1 ARG 21 -7.345 -13.989 -2.108
205 HH12 ARG 21 2HH1 ARG 21 -8.911 -13.679 -1.434
206 HH21 ARG 21 1HH2 ARG 21 -9.859 -11.429 -3.937
207 HH22 ARG 21 2HH2 ARG 21 -10.341 -12.223 -2.476
Start of MODEL 20
1 H1 ARG 1 H ARG 1 0.979 -0.873 -1.311
2 HA ARG 1 HA ARG 1 2.273 -0.208 -3.871
3 HB2 ARG 1 2HB ARG 1 2.484 1.061 -1.143
4 HB3 ARG 1 3HB ARG 1 3.617 1.409 -2.441
5 HG2 ARG 1 2HG ARG 1 2.209 3.081 -2.913
6 HG3 ARG 1 3HG ARG 1 1.252 1.822 -3.697
7 HD2 ARG 1 2HD ARG 1 -0.221 3.049 -2.290
8 HD3 ARG 1 3HD ARG 1 0.068 1.494 -1.511
9 HE ARG 1 HE ARG 1 1.900 3.428 -0.560
10 HH11 ARG 1 1HH1 ARG 1 -1.444 2.481 -0.341
11 HH12 ARG 1 2HH1 ARG 1 -1.660 3.135 1.249
12 HH21 ARG 1 1HH2 ARG 1 1.627 4.292 1.533
13 HH22 ARG 1 2HH2 ARG 1 0.087 4.166 2.313
14 H TRP 2 H TRP 2 3.007 -2.467 -3.918
15 HA TRP 2 HA TRP 2 5.273 -2.957 -2.102
16 HB2 TRP 2 2HB TRP 2 3.120 -4.601 -2.713
17 HB3 TRP 2 3HB TRP 2 4.429 -5.242 -3.701
18 HD1 TRP 2 HD1 TRP 2 6.883 -5.136 -1.889
19 HE1 TRP 2 HE1 TRP 2 7.023 -6.472 0.306
20 HE3 TRP 2 HE3 TRP 2 1.890 -5.827 -1.041
21 HZ2 TRP 2 HZ2 TRP 2 5.251 -7.663 2.152
22 HZ3 TRP 2 HZ3 TRP 2 1.196 -7.076 0.962
23 HH2 TRP 2 HH2 TRP 2 2.843 -7.975 2.524
24 H SER 3 H SER 3 6.925 -1.955 -3.176
25 HA SER 3 HA SER 3 7.315 -2.221 -6.000
26 HB2 SER 3 2HB SER 3 9.519 -1.381 -4.156
27 HB3 SER 3 3HB SER 3 9.095 -0.756 -5.750
28 HG SER 3 HG SER 3 7.138 0.062 -4.677
29 H ILE 4 H ILE 4 7.304 -4.531 -6.207
30 HA ILE 4 HA ILE 4 9.867 -5.762 -5.431
31 HB ILE 4 HB ILE 4 8.709 -7.948 -5.419
32 HG12 ILE 4 2HG1 ILE 4 6.442 -6.227 -6.237
33 HG13 ILE 4 3HG1 ILE 4 6.781 -7.908 -6.634
34 HG21 ILE 4 1HG2 ILE 4 9.052 -6.516 -3.371
35 HG22 ILE 4 2HG2 ILE 4 7.363 -6.036 -3.528
36 HG23 ILE 4 3HG2 ILE 4 7.776 -7.728 -3.254
37 HD11 ILE 4 3HD1 ILE 4 6.073 -8.497 -4.306
38 HD12 ILE 4 1HD1 ILE 4 5.533 -6.829 -4.125
39 HD13 ILE 4 2HD1 ILE 4 4.797 -7.867 -5.347
40 H THR 5 H THR 5 10.960 -5.390 -7.324
41 HA THR 5 HA THR 5 9.772 -6.014 -9.882
42 HB THR 5 HB THR 5 11.331 -4.140 -9.724
43 HG1 THR 5 HG1 THR 5 11.359 -5.020 -11.736
44 HG21 THR 5 3HG2 THR 5 13.634 -6.007 -9.370
45 HG22 THR 5 1HG2 THR 5 12.744 -5.463 -7.948
46 HG23 THR 5 2HG2 THR 5 13.518 -4.285 -9.009
47 H THR 6 H THR 6 12.334 -7.354 -7.825
48 HA THR 6 HA THR 6 12.180 -9.838 -9.406
49 HB THR 6 HB THR 6 14.552 -8.344 -8.407
50 HG1 THR 6 HG1 THR 6 14.336 -8.359 -10.588
51 HG21 THR 6 3HG2 THR 6 14.424 -11.357 -8.559
52 HG22 THR 6 1HG2 THR 6 14.729 -10.389 -7.118
53 HG23 THR 6 2HG2 THR 6 15.909 -10.416 -8.429
54 H ILE 7 H ILE 7 12.655 -8.394 -6.225
55 HA ILE 7 HA ILE 7 12.993 -10.677 -4.690
56 HB ILE 7 HB ILE 7 12.879 -8.086 -4.070
57 HG12 ILE 7 2HG1 ILE 7 12.096 -10.090 -1.966
58 HG13 ILE 7 3HG1 ILE 7 13.674 -10.158 -2.743
59 HG21 ILE 7 1HG2 ILE 7 10.395 -8.081 -4.404
60 HG22 ILE 7 2HG2 ILE 7 10.268 -9.116 -2.983
61 HG23 ILE 7 3HG2 ILE 7 10.933 -7.490 -2.833
62 HD11 ILE 7 3HD1 ILE 7 14.134 -7.879 -1.981
63 HD12 ILE 7 1HD1 ILE 7 12.565 -7.842 -1.177
64 HD13 ILE 7 2HD1 ILE 7 13.804 -8.976 -0.640
65 H HIS 8 H HIS 8 10.210 -9.588 -6.376
66 HA HIS 8 HA HIS 8 8.103 -10.610 -4.918
67 HB2 HIS 8 2HB HIS 8 8.178 -9.361 -7.224
68 HB3 HIS 8 3HB HIS 8 8.159 -10.992 -7.890
69 HD1 HIS 8 HD1 HIS 8 5.805 -9.228 -8.511
70 HD2 HIS 8 HD2 HIS 8 5.963 -11.664 -5.149
71 HE1 HIS 8 HE1 HIS 8 3.410 -9.607 -7.842
72 H ASN 9 H ASN 9 10.606 -12.305 -6.576
73 HA ASN 9 HA ASN 9 9.257 -14.792 -6.883
74 HB2 ASN 9 2HB ASN 9 11.648 -13.752 -7.764
75 HB3 ASN 9 3HB ASN 9 12.169 -14.939 -6.572
76 HD21 ASN 9 1HD2 ASN 9 9.709 -14.695 -9.124
77 HD22 ASN 9 2HD2 ASN 9 10.033 -16.245 -9.816
78 H LEU 10 H LEU 10 11.407 -13.450 -4.414
79 HA LEU 10 HA LEU 10 11.344 -15.850 -2.824
80 HB2 LEU 10 2HB LEU 10 13.328 -14.698 -2.566
81 HB3 LEU 10 3HB LEU 10 12.530 -13.127 -2.533
82 HG LEU 10 HG LEU 10 12.057 -15.002 -0.268
83 HD11 LEU 10 1HD1 LEU 10 14.112 -13.821 0.787
84 HD12 LEU 10 2HD1 LEU 10 14.637 -13.626 -0.885
85 HD13 LEU 10 3HD1 LEU 10 14.353 -15.240 -0.232
86 HD21 LEU 10 3HD2 LEU 10 12.092 -12.053 -0.750
87 HD22 LEU 10 1HD2 LEU 10 12.300 -12.683 0.884
88 HD23 LEU 10 2HD2 LEU 10 10.836 -13.059 -0.026
89 H PHE 11 H PHE 11 9.384 -13.078 -3.184
90 HA PHE 11 HA PHE 11 8.200 -13.319 -0.534
91 HB2 PHE 11 2HB PHE 11 8.038 -11.342 -2.759
92 HB3 PHE 11 3HB PHE 11 6.666 -11.460 -1.662
93 HD1 PHE 11 HD2 PHE 11 10.359 -11.030 -1.679
94 HD2 PHE 11 HD1 PHE 11 6.683 -10.298 0.337
95 HE1 PHE 11 HE2 PHE 11 11.536 -9.597 -0.062
96 HE2 PHE 11 HE1 PHE 11 7.853 -8.863 1.957
97 HZ PHE 11 HZ PHE 11 10.283 -8.512 1.760
98 H ARG 12 H ARG 12 7.198 -13.585 -3.934
99 HA ARG 12 HA ARG 12 4.558 -14.206 -3.690
100 HB2 ARG 12 2HB ARG 12 4.748 -15.475 -5.759
101 HB3 ARG 12 3HB ARG 12 5.741 -14.025 -5.841
102 HG2 ARG 12 2HG ARG 12 7.360 -15.375 -6.554
103 HG3 ARG 12 3HG ARG 12 7.495 -15.896 -4.873
104 HD2 ARG 12 2HD ARG 12 6.998 -17.954 -5.550
105 HD3 ARG 12 3HD ARG 12 5.378 -17.373 -5.930
106 HE ARG 12 HE ARG 12 7.102 -16.788 -8.073
107 HH11 ARG 12 1HH1 ARG 12 5.568 -19.495 -6.511
108 HH12 ARG 12 2HH1 ARG 12 5.513 -20.461 -7.948
109 HH21 ARG 12 1HH2 ARG 12 7.036 -18.050 -9.972
110 HH22 ARG 12 2HH2 ARG 12 6.349 -19.638 -9.916
111 H LYS 13 H LYS 13 7.268 -16.159 -2.753
112 HA LYS 13 HA LYS 13 5.523 -18.460 -2.242
113 HB2 LYS 13 2HB LYS 13 7.923 -18.475 -3.398
114 HB3 LYS 13 3HB LYS 13 8.455 -18.568 -1.724
115 HG2 LYS 13 2HG LYS 13 6.727 -20.509 -1.570
116 HG3 LYS 13 3HG LYS 13 6.891 -20.537 -3.328
117 HD2 LYS 13 2HD LYS 13 9.498 -20.414 -2.504
118 HD3 LYS 13 3HD LYS 13 8.758 -21.406 -1.246
119 HE2 LYS 13 2HE LYS 13 7.691 -22.675 -3.249
120 HE3 LYS 13 3HE LYS 13 8.980 -21.921 -4.185
121 HZ1 LYS 13 3HZ LYS 13 10.573 -23.145 -3.155
122 HZ2 LYS 13 1HZ LYS 13 9.294 -24.245 -3.028
123 HZ3 LYS 13 2HZ LYS 13 9.715 -23.282 -1.704
124 H LEU 14 H LEU 14 7.752 -16.240 -0.634
125 HA LEU 14 HA LEU 14 7.525 -17.411 1.941
126 HB2 LEU 14 2HB LEU 14 9.413 -16.083 1.617
127 HB3 LEU 14 3HB LEU 14 8.478 -14.765 0.914
128 HG LEU 14 HG LEU 14 7.760 -14.005 3.012
129 HD11 LEU 14 1HD1 LEU 14 8.247 -16.783 3.821
130 HD12 LEU 14 2HD1 LEU 14 7.034 -15.631 4.377
131 HD13 LEU 14 3HD1 LEU 14 8.671 -15.569 5.029
132 HD21 LEU 14 3HD2 LEU 14 9.722 -13.197 3.715
133 HD22 LEU 14 1HD2 LEU 14 10.430 -14.165 2.422
134 HD23 LEU 14 2HD2 LEU 14 10.363 -14.803 4.065
135 H THR 15 H THR 15 6.058 -14.489 0.526
136 HA THR 15 HA THR 15 4.181 -14.352 2.759
137 HB THR 15 HB THR 15 5.245 -12.259 2.067
138 HG1 THR 15 HG1 THR 15 3.378 -11.090 2.127
139 HG21 THR 15 3HG2 THR 15 4.347 -11.296 -0.170
140 HG22 THR 15 1HG2 THR 15 4.069 -12.985 -0.592
141 HG23 THR 15 2HG2 THR 15 5.698 -12.429 -0.208
142 H HIS 16 H HIS 16 4.153 -16.363 0.459
143 HA HIS 16 HA HIS 16 2.072 -15.949 -1.299
144 HB2 HIS 16 2HB HIS 16 1.933 -18.322 -1.540
145 HB3 HIS 16 3HB HIS 16 3.622 -17.937 -1.220
146 HD1 HIS 16 HD1 HIS 16 3.676 -17.806 1.800
147 HD2 HIS 16 HD2 HIS 16 1.572 -20.704 -0.307
148 HE1 HIS 16 HE1 HIS 16 3.409 -19.734 3.393
149 H ARG 17 H ARG 17 1.948 -16.472 2.114
150 HA ARG 17 HA ARG 17 -0.707 -17.401 2.336
151 HB2 ARG 17 2HB ARG 17 -0.552 -16.685 4.684
152 HB3 ARG 17 3HB ARG 17 0.872 -17.585 4.181
153 HG2 ARG 17 2HG ARG 17 1.825 -15.189 3.697
154 HG3 ARG 17 3HG ARG 17 0.589 -14.705 4.860
155 HD2 ARG 17 2HD ARG 17 2.726 -16.781 5.333
156 HD3 ARG 17 3HD ARG 17 2.763 -15.122 5.929
157 HE ARG 17 HE ARG 17 0.388 -16.271 6.809
158 HH11 ARG 17 1HH1 ARG 17 3.815 -16.692 7.255
159 HH12 ARG 17 2HH1 ARG 17 3.662 -17.312 8.865
160 HH21 ARG 17 1HH2 ARG 17 0.173 -17.085 8.929
161 HH22 ARG 17 2HH2 ARG 17 1.589 -17.535 9.816
162 H LEU 18 H LEU 18 0.655 -14.247 1.838
163 HA LEU 18 HA LEU 18 -2.007 -13.034 2.164
164 HB2 LEU 18 2HB LEU 18 -0.671 -11.803 3.556
165 HB3 LEU 18 3HB LEU 18 0.762 -12.028 2.555
166 HG LEU 18 HG LEU 18 -0.110 -10.379 0.957
167 HD11 LEU 18 1HD1 LEU 18 -2.546 -10.874 2.201
168 HD12 LEU 18 2HD1 LEU 18 -2.210 -9.658 0.970
169 HD13 LEU 18 3HD1 LEU 18 -2.121 -9.230 2.678
170 HD21 LEU 18 3HD2 LEU 18 -0.227 -9.101 3.659
171 HD22 LEU 18 1HD2 LEU 18 0.530 -8.519 2.176
172 HD23 LEU 18 2HD2 LEU 18 1.269 -9.838 3.084
173 H PHE 19 H PHE 19 0.721 -13.433 -0.003
174 HA PHE 19 HA PHE 19 -0.602 -11.859 -2.077
175 HB2 PHE 19 2HB PHE 19 2.139 -12.638 -1.489
176 HB3 PHE 19 3HB PHE 19 1.717 -12.941 -3.171
177 HD1 PHE 19 HD1 PHE 19 0.562 -10.225 -0.915
178 HD2 PHE 19 HD2 PHE 19 2.831 -11.287 -4.356
179 HE1 PHE 19 HE1 PHE 19 0.900 -7.842 -1.423
180 HE2 PHE 19 HE2 PHE 19 3.174 -8.905 -4.869
181 HZ PHE 19 HZ PHE 19 2.209 -7.179 -3.401
182 H ARG 20 H ARG 20 -1.484 -14.571 -1.069
183 HA ARG 20 HA ARG 20 -0.996 -16.611 -2.861
184 HB2 ARG 20 2HB ARG 20 -3.379 -17.352 -2.290
185 HB3 ARG 20 3HB ARG 20 -2.253 -17.161 -0.953
186 HG2 ARG 20 2HG ARG 20 -3.248 -15.131 -0.276
187 HG3 ARG 20 3HG ARG 20 -4.172 -15.002 -1.774
188 HD2 ARG 20 2HD ARG 20 -4.536 -17.309 0.111
189 HD3 ARG 20 3HD ARG 20 -5.397 -15.788 0.338
190 HE ARG 20 HE ARG 20 -5.928 -17.797 -1.639
191 HH11 ARG 20 1HH1 ARG 20 -6.192 -14.409 -0.880
192 HH12 ARG 20 2HH1 ARG 20 -7.530 -14.141 -1.946
193 HH21 ARG 20 1HH2 ARG 20 -7.690 -17.456 -3.047
194 HH22 ARG 20 2HH2 ARG 20 -8.382 -15.875 -3.178
195 H ARG 21 H ARG 21 -3.004 -13.781 -3.240
196 HA ARG 21 HA ARG 21 -4.595 -14.553 -5.387
197 HB2 ARG 21 2HB ARG 21 -3.881 -12.102 -4.072
198 HB3 ARG 21 3HB ARG 21 -3.870 -11.854 -5.813
199 HG2 ARG 21 2HG ARG 21 -6.077 -11.740 -5.840
200 HG3 ARG 21 3HG ARG 21 -6.196 -13.342 -5.109
201 HD2 ARG 21 2HD ARG 21 -5.824 -12.244 -2.883
202 HD3 ARG 21 3HD ARG 21 -5.976 -10.689 -3.701
203 HE ARG 21 HE ARG 21 -8.093 -12.435 -2.943
204 HH11 ARG 21 1HH1 ARG 21 -7.109 -10.130 -5.359
205 HH12 ARG 21 2HH1 ARG 21 -8.729 -9.686 -5.783
206 HH21 ARG 21 1HH2 ARG 21 -10.231 -11.859 -3.493
207 HH22 ARG 21 2HH2 ARG 21 -10.504 -10.670 -4.721