Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538865 | 2ld0 RC | 17642 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 -14.940 -3.267 1.884
2 H2 MET 1 2HT MET 1 -15.632 -2.864 3.383
3 H3 MET 1 3HT MET 1 -15.125 -4.457 3.079
4 HA MET 1 HA MET 1 -13.583 -3.112 4.522
5 HB2 MET 1 2HB MET 1 -11.638 -4.053 3.271
6 HB3 MET 1 1HB MET 1 -12.983 -5.189 3.363
7 HG2 MET 1 2HG MET 1 -12.958 -3.353 1.020
8 HG3 MET 1 1HG MET 1 -11.725 -4.613 1.046
9 HE1 MET 1 3HE MET 1 -14.740 -5.288 -1.334
10 HE2 MET 1 1HE MET 1 -13.886 -3.841 -0.781
11 HE3 MET 1 2HE MET 1 -15.528 -4.164 -0.231
12 H ALA 2 H ALA 2 -11.868 -1.498 4.441
13 HA ALA 2 HA ALA 2 -11.802 0.287 2.062
14 HB1 ALA 2 1HB ALA 2 -12.709 2.108 3.179
15 HB2 ALA 2 2HB ALA 2 -12.196 1.521 4.762
16 HB3 ALA 2 3HB ALA 2 -13.598 0.804 3.966
17 H THR 3 H THR 3 -9.571 -0.366 1.875
18 HA THR 3 HA THR 3 -7.713 1.187 3.492
19 HB THR 3 HB THR 3 -8.247 -0.667 5.024
20 HG1 THR 3 1HG THR 3 -6.197 -0.232 5.343
21 HG21 THR 3 3HG2 THR 3 -8.978 -2.328 3.403
22 HG22 THR 3 1HG2 THR 3 -7.642 -2.994 4.342
23 HG23 THR 3 2HG2 THR 3 -7.360 -2.404 2.703
24 H LEU 4 H LEU 4 -8.274 0.944 0.696
25 HA LEU 4 HA LEU 4 -6.470 -0.781 -0.678
26 HB2 LEU 4 2HB LEU 4 -6.931 0.818 -2.551
27 HB3 LEU 4 1HB LEU 4 -8.387 0.276 -1.725
28 HG LEU 4 HG LEU 4 -7.801 2.498 -0.271
29 HD11 LEU 4 1HD1 LEU 4 -7.289 3.467 -3.052
30 HD12 LEU 4 2HD1 LEU 4 -5.933 2.782 -2.157
31 HD13 LEU 4 3HD1 LEU 4 -6.803 4.175 -1.511
32 HD21 LEU 4 3HD2 LEU 4 -9.467 3.643 -1.849
33 HD22 LEU 4 1HD2 LEU 4 -9.989 2.116 -1.137
34 HD23 LEU 4 2HD2 LEU 4 -9.417 2.161 -2.804
35 H GLU 5 H GLU 5 -6.124 2.672 0.227
36 HA GLU 5 HA GLU 5 -3.492 2.996 -0.809
37 HB2 GLU 5 2HB GLU 5 -5.287 4.669 0.153
38 HB3 GLU 5 1HB GLU 5 -4.475 4.362 1.688
39 HG2 GLU 5 2HG GLU 5 -2.913 5.875 1.107
40 HG3 GLU 5 1HG GLU 5 -2.417 4.799 -0.199
41 H LYS 6 H LYS 6 -4.680 1.840 2.313
42 HA LYS 6 HA LYS 6 -2.141 1.633 3.621
43 HB2 LYS 6 2HB LYS 6 -4.855 1.149 4.148
44 HB3 LYS 6 1HB LYS 6 -4.088 -0.430 4.310
45 HG2 LYS 6 2HG LYS 6 -2.536 1.728 5.554
46 HG3 LYS 6 1HG LYS 6 -4.139 1.535 6.263
47 HD2 LYS 6 2HD LYS 6 -3.173 -1.085 5.908
48 HD3 LYS 6 1HD LYS 6 -1.805 -0.167 6.538
49 HE2 LYS 6 2HE LYS 6 -3.067 0.552 8.465
50 HE3 LYS 6 1HE LYS 6 -4.574 -0.097 7.785
51 HZ1 LYS 6 3HZ LYS 6 -3.690 -1.718 9.281
52 HZ2 LYS 6 1HZ LYS 6 -2.155 -1.636 8.564
53 HZ3 LYS 6 2HZ LYS 6 -3.460 -2.297 7.701
54 H LEU 7 H LEU 7 -3.522 -0.090 0.980
55 HA LEU 7 HA LEU 7 -1.830 -2.470 1.450
56 HB2 LEU 7 2HB LEU 7 -3.488 -3.565 0.327
57 HB3 LEU 7 1HB LEU 7 -4.421 -2.100 0.606
58 HG LEU 7 HG LEU 7 -3.288 -1.278 -1.613
59 HD11 LEU 7 1HD1 LEU 7 -3.361 -4.130 -2.423
60 HD12 LEU 7 2HD1 LEU 7 -1.979 -3.645 -1.441
61 HD13 LEU 7 3HD1 LEU 7 -2.301 -2.831 -2.972
62 HD21 LEU 7 3HD2 LEU 7 -5.156 -3.263 -2.529
63 HD22 LEU 7 1HD2 LEU 7 -5.412 -1.530 -2.322
64 HD23 LEU 7 2HD2 LEU 7 -5.712 -2.632 -0.978
65 H MET 8 H MET 8 -2.131 0.359 -0.582
66 HA MET 8 HA MET 8 -0.166 -0.570 -2.548
67 HB2 MET 8 2HB MET 8 -2.313 1.119 -2.574
68 HB3 MET 8 1HB MET 8 -0.985 2.270 -2.422
69 HG2 MET 8 2HG MET 8 0.060 1.470 -4.420
70 HG3 MET 8 1HG MET 8 -0.995 0.059 -4.487
71 HE1 MET 8 3HE MET 8 -1.581 0.069 -6.448
72 HE2 MET 8 1HE MET 8 -2.304 1.311 -7.481
73 HE3 MET 8 2HE MET 8 -3.321 0.347 -6.412
74 H LYS 9 H LYS 9 -0.365 1.908 0.017
75 HA LYS 9 HA LYS 9 2.166 3.106 -0.276
76 HB2 LYS 9 2HB LYS 9 0.035 3.006 1.591
77 HB3 LYS 9 1HB LYS 9 1.504 2.674 2.508
78 HG2 LYS 9 2HG LYS 9 1.283 5.047 2.511
79 HG3 LYS 9 1HG LYS 9 2.530 4.694 1.316
80 HD2 LYS 9 2HD LYS 9 0.139 4.556 -0.129
81 HD3 LYS 9 1HD LYS 9 -0.080 5.940 0.943
82 HE2 LYS 9 2HE LYS 9 2.280 6.680 0.183
83 HE3 LYS 9 1HE LYS 9 2.075 5.508 -1.134
84 HZ1 LYS 9 3HZ LYS 9 -0.149 6.554 -1.525
85 HZ2 LYS 9 1HZ LYS 9 1.173 7.548 -1.898
86 HZ3 LYS 9 2HZ LYS 9 0.307 7.793 -0.456
87 H ALA 10 H ALA 10 1.339 -0.072 0.939
88 HA ALA 10 HA ALA 10 3.876 -0.578 2.255
89 HB1 ALA 10 1HB ALA 10 1.599 -1.630 2.700
90 HB2 ALA 10 2HB ALA 10 2.938 -2.770 2.563
91 HB3 ALA 10 3HB ALA 10 1.829 -2.545 1.211
92 H PHE 11 H PHE 11 2.592 -0.976 -0.997
93 HA PHE 11 HA PHE 11 4.751 -2.752 -1.862
94 HB2 PHE 11 2HB PHE 11 2.660 -1.159 -3.376
95 HB3 PHE 11 1HB PHE 11 3.619 -2.479 -4.039
96 HD1 PHE 11 2HD PHE 11 3.268 -3.718 -0.926
97 HD2 PHE 11 1HD PHE 11 0.753 -2.679 -4.253
98 HE1 PHE 11 2HE PHE 11 1.559 -5.328 -0.138
99 HE2 PHE 11 1HE PHE 11 -0.952 -4.293 -3.464
100 HZ PHE 11 HZ PHE 11 -0.551 -5.619 -1.408
101 H GLU 12 H GLU 12 4.589 0.529 -1.202
102 HA GLU 12 HA GLU 12 6.870 1.079 -3.075
103 HB2 GLU 12 2HB GLU 12 4.208 2.210 -2.923
104 HB3 GLU 12 1HB GLU 12 5.418 3.461 -2.636
105 HG2 GLU 12 2HG GLU 12 6.624 2.653 -4.704
106 HG3 GLU 12 1HG GLU 12 5.241 1.607 -5.026
107 H SER 13 H SER 13 5.180 2.003 -0.087
108 HA SER 13 HA SER 13 7.415 3.667 0.808
109 HB2 SER 13 2HB SER 13 4.785 3.843 1.136
110 HB3 SER 13 1HB SER 13 5.130 2.848 2.548
111 HG SER 13 HG SER 13 6.746 4.459 3.082
112 H LEU 14 H LEU 14 6.333 0.394 1.247
113 HA LEU 14 HA LEU 14 7.445 -0.240 3.775
114 HB2 LEU 14 2HB LEU 14 5.995 -1.706 2.430
115 HB3 LEU 14 1HB LEU 14 7.277 -1.889 1.233
116 HG LEU 14 HG LEU 14 8.733 -2.781 3.136
117 HD11 LEU 14 1HD1 LEU 14 7.832 -3.217 5.207
118 HD12 LEU 14 2HD1 LEU 14 6.216 -3.498 4.560
119 HD13 LEU 14 3HD1 LEU 14 6.809 -1.850 4.769
120 HD21 LEU 14 3HD2 LEU 14 8.025 -4.438 1.655
121 HD22 LEU 14 1HD2 LEU 14 6.318 -4.147 1.988
122 HD23 LEU 14 2HD2 LEU 14 7.313 -5.006 3.165
123 H LYS 15 H LYS 15 9.011 -1.081 0.662
124 HA LYS 15 HA LYS 15 11.655 -0.493 1.957
125 HB2 LYS 15 2HB LYS 15 10.896 -2.922 1.541
126 HB3 LYS 15 1HB LYS 15 11.117 -2.567 -0.173
127 HG2 LYS 15 2HG LYS 15 13.464 -1.663 0.635
128 HG3 LYS 15 1HG LYS 15 13.168 -2.730 2.008
129 HD2 LYS 15 2HD LYS 15 12.628 -4.544 0.277
130 HD3 LYS 15 1HD LYS 15 13.351 -3.465 -0.916
131 HE2 LYS 15 2HE LYS 15 14.859 -4.113 1.615
132 HE3 LYS 15 1HE LYS 15 14.895 -5.237 0.241
133 HZ1 LYS 15 3HZ LYS 15 15.447 -2.324 0.043
134 HZ2 LYS 15 1HZ LYS 15 15.587 -3.469 -1.201
135 HZ3 LYS 15 2HZ LYS 15 16.651 -3.521 0.123
136 H SER 16 H SER 16 9.671 -0.295 -0.950
137 HA SER 16 HA SER 16 11.668 0.570 -2.794
138 HB2 SER 16 2HB SER 16 8.732 0.500 -2.534
139 HB3 SER 16 1HB SER 16 9.336 1.747 -3.620
140 HG SER 16 HG SER 16 10.581 0.068 -4.636
141 H PHE 17 H PHE 17 10.288 2.190 -0.090
142 HA PHE 17 HA PHE 17 10.193 4.887 -0.885
143 HB2 PHE 17 2HB PHE 17 10.441 5.341 1.485
144 HB3 PHE 17 1HB PHE 17 9.526 3.846 1.313
145 HD1 PHE 17 1HD PHE 17 12.907 5.236 2.015
146 HD2 PHE 17 2HD PHE 17 10.369 1.773 2.153
147 HE1 PHE 17 1HE PHE 17 14.602 4.049 3.380
148 HE2 PHE 17 2HE PHE 17 12.066 0.586 3.519
149 HZ PHE 17 HZ PHE 17 14.181 1.723 4.132
150 HN1 NH2 18 2H PHE 17 14.202 4.078 -0.584
151 HN2 NH2 18 1H PHE 17 13.054 2.878 -0.229
Start of MODEL 2
1 H1 MET 1 1HT MET 1 -11.975 2.097 7.824
2 H2 MET 1 2HT MET 1 -13.068 0.798 7.805
3 H3 MET 1 3HT MET 1 -13.513 2.275 8.517
4 HA MET 1 HA MET 1 -14.591 2.259 6.430
5 HB2 MET 1 2HB MET 1 -12.139 3.888 6.879
6 HB3 MET 1 1HB MET 1 -12.858 3.982 5.271
7 HG2 MET 1 2HG MET 1 -15.101 4.226 6.715
8 HG3 MET 1 1HG MET 1 -13.961 4.869 7.897
9 HE1 MET 1 3HE MET 1 -13.524 7.771 7.715
10 HE2 MET 1 1HE MET 1 -14.913 6.759 8.135
11 HE3 MET 1 2HE MET 1 -15.111 8.123 7.037
12 H ALA 2 H ALA 2 -11.117 2.194 5.561
13 HA ALA 2 HA ALA 2 -11.412 -0.233 3.950
14 HB1 ALA 2 1HB ALA 2 -12.558 1.588 2.645
15 HB2 ALA 2 2HB ALA 2 -11.183 0.883 1.796
16 HB3 ALA 2 3HB ALA 2 -11.021 2.451 2.588
17 H THR 3 H THR 3 -9.396 -1.164 3.805
18 HA THR 3 HA THR 3 -7.029 0.533 4.494
19 HB THR 3 HB THR 3 -7.354 -2.483 4.535
20 HG1 THR 3 1HG THR 3 -7.740 -2.172 6.758
21 HG21 THR 3 3HG2 THR 3 -5.321 -0.539 5.629
22 HG22 THR 3 1HG2 THR 3 -5.048 -1.931 4.581
23 HG23 THR 3 2HG2 THR 3 -5.483 -2.172 6.274
24 H LEU 4 H LEU 4 -7.997 0.650 1.828
25 HA LEU 4 HA LEU 4 -6.507 -1.212 0.154
26 HB2 LEU 4 2HB LEU 4 -8.127 1.306 -0.280
27 HB3 LEU 4 1HB LEU 4 -7.334 0.467 -1.615
28 HG LEU 4 HG LEU 4 -9.079 -1.076 0.284
29 HD11 LEU 4 1HD1 LEU 4 -9.967 0.702 -1.996
30 HD12 LEU 4 2HD1 LEU 4 -10.564 0.687 -0.336
31 HD13 LEU 4 3HD1 LEU 4 -10.940 -0.652 -1.421
32 HD21 LEU 4 3HD2 LEU 4 -7.555 -2.061 -1.559
33 HD22 LEU 4 1HD2 LEU 4 -8.719 -1.386 -2.700
34 HD23 LEU 4 2HD2 LEU 4 -9.235 -2.600 -1.529
35 H GLU 5 H GLU 5 -6.275 2.328 0.746
36 HA GLU 5 HA GLU 5 -3.855 2.743 -0.672
37 HB2 GLU 5 2HB GLU 5 -5.537 4.092 1.310
38 HB3 GLU 5 1HB GLU 5 -3.830 4.489 1.513
39 HG2 GLU 5 2HG GLU 5 -4.634 6.094 -0.040
40 HG3 GLU 5 1HG GLU 5 -3.800 4.896 -1.029
41 H LYS 6 H LYS 6 -4.447 1.599 2.616
42 HA LYS 6 HA LYS 6 -1.728 1.654 3.527
43 HB2 LYS 6 2HB LYS 6 -4.342 0.666 4.340
44 HB3 LYS 6 1HB LYS 6 -3.084 -0.505 4.732
45 HG2 LYS 6 2HG LYS 6 -1.901 1.038 6.077
46 HG3 LYS 6 1HG LYS 6 -2.755 2.421 5.390
47 HD2 LYS 6 2HD LYS 6 -4.891 1.340 6.377
48 HD3 LYS 6 1HD LYS 6 -3.783 0.367 7.346
49 HE2 LYS 6 2HE LYS 6 -2.673 2.649 7.964
50 HE3 LYS 6 1HE LYS 6 -4.202 3.353 7.401
51 HZ1 LYS 6 3HZ LYS 6 -4.224 2.727 9.789
52 HZ2 LYS 6 1HZ LYS 6 -4.017 1.106 9.335
53 HZ3 LYS 6 2HZ LYS 6 -5.421 1.943 8.872
54 H LEU 7 H LEU 7 -3.343 -0.255 1.170
55 HA LEU 7 HA LEU 7 -1.436 -2.497 1.406
56 HB2 LEU 7 2HB LEU 7 -3.128 -3.705 0.451
57 HB3 LEU 7 1HB LEU 7 -4.121 -2.330 0.915
58 HG LEU 7 HG LEU 7 -3.358 -1.366 -1.419
59 HD11 LEU 7 1HD1 LEU 7 -2.490 -4.192 -1.467
60 HD12 LEU 7 2HD1 LEU 7 -1.932 -2.825 -2.431
61 HD13 LEU 7 3HD1 LEU 7 -3.413 -3.671 -2.877
62 HD21 LEU 7 3HD2 LEU 7 -5.546 -3.079 -0.540
63 HD22 LEU 7 1HD2 LEU 7 -5.243 -3.253 -2.268
64 HD23 LEU 7 2HD2 LEU 7 -5.591 -1.664 -1.590
65 H MET 8 H MET 8 -2.161 0.294 -0.568
66 HA MET 8 HA MET 8 -0.411 -0.518 -2.771
67 HB2 MET 8 2HB MET 8 -2.625 0.938 -2.677
68 HB3 MET 8 1HB MET 8 -1.490 2.247 -2.346
69 HG2 MET 8 2HG MET 8 -1.490 2.335 -4.653
70 HG3 MET 8 1HG MET 8 -0.202 1.154 -4.416
71 HE1 MET 8 3HE MET 8 -2.821 2.040 -6.489
72 HE2 MET 8 1HE MET 8 -4.007 1.711 -5.220
73 HE3 MET 8 2HE MET 8 -3.988 0.735 -6.687
74 H LYS 9 H LYS 9 -0.469 2.282 -0.531
75 HA LYS 9 HA LYS 9 2.132 3.253 -1.067
76 HB2 LYS 9 2HB LYS 9 0.018 3.531 0.926
77 HB3 LYS 9 1HB LYS 9 1.617 3.724 1.645
78 HG2 LYS 9 2HG LYS 9 1.400 5.876 0.913
79 HG3 LYS 9 1HG LYS 9 1.929 5.189 -0.624
80 HD2 LYS 9 2HD LYS 9 -0.971 4.961 -0.074
81 HD3 LYS 9 1HD LYS 9 -0.380 6.604 -0.319
82 HE2 LYS 9 2HE LYS 9 0.485 4.445 -2.230
83 HE3 LYS 9 1HE LYS 9 -1.116 5.191 -2.416
84 HZ1 LYS 9 3HZ LYS 9 0.032 7.383 -2.195
85 HZ2 LYS 9 1HZ LYS 9 0.413 6.536 -3.614
86 HZ3 LYS 9 2HZ LYS 9 1.515 6.564 -2.321
87 H ALA 10 H ALA 10 1.146 0.429 0.715
88 HA ALA 10 HA ALA 10 3.518 0.142 2.337
89 HB1 ALA 10 1HB ALA 10 2.545 -2.326 2.243
90 HB2 ALA 10 2HB ALA 10 1.181 -1.522 1.467
91 HB3 ALA 10 3HB ALA 10 1.667 -1.056 3.097
92 H PHE 11 H PHE 11 2.451 -1.361 -0.733
93 HA PHE 11 HA PHE 11 4.774 -2.952 -1.164
94 HB2 PHE 11 2HB PHE 11 2.907 -1.635 -3.157
95 HB3 PHE 11 1HB PHE 11 3.884 -3.071 -3.444
96 HD1 PHE 11 2HD PHE 11 3.213 -3.854 -0.301
97 HD2 PHE 11 1HD PHE 11 0.968 -3.107 -3.889
98 HE1 PHE 11 2HE PHE 11 1.363 -5.256 0.563
99 HE2 PHE 11 1HE PHE 11 -0.878 -4.513 -3.025
100 HZ PHE 11 HZ PHE 11 -0.682 -5.589 -0.799
101 H GLU 12 H GLU 12 4.312 0.469 -1.414
102 HA GLU 12 HA GLU 12 6.785 0.736 -3.082
103 HB2 GLU 12 2HB GLU 12 4.186 1.996 -2.988
104 HB3 GLU 12 1HB GLU 12 5.441 3.210 -2.738
105 HG2 GLU 12 2HG GLU 12 6.631 2.138 -4.759
106 HG3 GLU 12 1HG GLU 12 5.089 1.344 -5.084
107 H SER 13 H SER 13 5.185 1.965 -0.139
108 HA SER 13 HA SER 13 7.607 3.432 0.646
109 HB2 SER 13 2HB SER 13 5.111 4.128 0.842
110 HB3 SER 13 1HB SER 13 5.093 3.082 2.259
111 HG SER 13 HG SER 13 6.373 4.440 3.289
112 H LEU 14 H LEU 14 6.134 0.364 1.321
113 HA LEU 14 HA LEU 14 7.589 0.046 3.861
114 HB2 LEU 14 2HB LEU 14 5.178 -0.805 2.966
115 HB3 LEU 14 1HB LEU 14 6.160 -2.220 2.587
116 HG LEU 14 HG LEU 14 6.556 -0.995 5.272
117 HD11 LEU 14 1HD1 LEU 14 4.084 -0.977 4.970
118 HD12 LEU 14 2HD1 LEU 14 4.596 -2.137 6.196
119 HD13 LEU 14 3HD1 LEU 14 4.139 -2.698 4.588
120 HD21 LEU 14 3HD2 LEU 14 6.409 -3.798 4.126
121 HD22 LEU 14 1HD2 LEU 14 6.630 -3.463 5.843
122 HD23 LEU 14 2HD2 LEU 14 7.850 -2.944 4.681
123 H LYS 15 H LYS 15 9.124 0.325 1.323
124 HA LYS 15 HA LYS 15 10.086 -2.208 0.406
125 HB2 LYS 15 2HB LYS 15 10.396 0.439 -0.233
126 HB3 LYS 15 1HB LYS 15 11.971 0.053 0.459
127 HG2 LYS 15 2HG LYS 15 12.518 -1.384 -1.235
128 HG3 LYS 15 1HG LYS 15 10.858 -1.946 -1.433
129 HD2 LYS 15 2HD LYS 15 10.333 -0.298 -2.934
130 HD3 LYS 15 1HD LYS 15 11.371 0.891 -2.149
131 HE2 LYS 15 2HE LYS 15 12.643 -1.451 -3.547
132 HE3 LYS 15 1HE LYS 15 12.080 -0.063 -4.500
133 HZ1 LYS 15 3HZ LYS 15 13.365 1.414 -3.188
134 HZ2 LYS 15 1HZ LYS 15 14.403 0.144 -3.620
135 HZ3 LYS 15 2HZ LYS 15 13.743 0.205 -2.056
136 H SER 16 H SER 16 11.312 0.037 2.854
137 HA SER 16 HA SER 16 12.222 -1.860 4.729
138 HB2 SER 16 2HB SER 16 13.938 -1.444 2.359
139 HB3 SER 16 1HB SER 16 14.787 -1.295 3.895
140 HG SER 16 HG SER 16 13.262 -3.476 2.917
141 H PHE 17 H PHE 17 12.839 1.149 3.074
142 HA PHE 17 HA PHE 17 14.163 2.511 5.252
143 HB2 PHE 17 2HB PHE 17 13.474 4.536 3.795
144 HB3 PHE 17 1HB PHE 17 14.522 3.330 3.051
145 HD1 PHE 17 1HD PHE 17 10.867 4.089 3.516
146 HD2 PHE 17 2HD PHE 17 13.921 2.430 0.989
147 HE1 PHE 17 1HE PHE 17 9.188 3.693 1.736
148 HE2 PHE 17 2HE PHE 17 12.240 2.035 -0.787
149 HZ PHE 17 HZ PHE 17 9.875 2.673 -0.413
150 HN1 NH2 18 2H PHE 17 11.365 4.523 6.564
151 HN2 NH2 18 1H PHE 17 12.926 4.770 5.946
Start of MODEL 3
1 H1 MET 1 1HT MET 1 -15.465 2.437 6.377
2 H2 MET 1 2HT MET 1 -14.489 3.399 5.373
3 H3 MET 1 3HT MET 1 -15.045 4.008 6.858
4 HA MET 1 HA MET 1 -12.761 3.404 7.150
5 HB2 MET 1 2HB MET 1 -14.877 1.563 8.287
6 HB3 MET 1 1HB MET 1 -13.210 1.542 8.863
7 HG2 MET 1 2HG MET 1 -13.601 4.167 9.030
8 HG3 MET 1 1HG MET 1 -15.290 3.674 9.149
9 HE1 MET 1 3HE MET 1 -13.322 4.534 12.649
10 HE2 MET 1 1HE MET 1 -14.721 5.090 11.719
11 HE3 MET 1 2HE MET 1 -13.111 5.129 11.004
12 H ALA 2 H ALA 2 -11.176 2.384 5.999
13 HA ALA 2 HA ALA 2 -11.419 -0.489 5.357
14 HB1 ALA 2 1HB ALA 2 -11.020 1.588 3.183
15 HB2 ALA 2 2HB ALA 2 -12.582 0.854 3.549
16 HB3 ALA 2 3HB ALA 2 -11.252 -0.147 2.968
17 H THR 3 H THR 3 -9.292 -0.560 3.488
18 HA THR 3 HA THR 3 -7.005 0.934 4.572
19 HB THR 3 HB THR 3 -7.380 -0.835 6.249
20 HG1 THR 3 1HG THR 3 -5.188 -1.460 4.565
21 HG21 THR 3 3HG2 THR 3 -6.680 -3.035 4.413
22 HG22 THR 3 1HG2 THR 3 -8.278 -2.337 4.142
23 HG23 THR 3 2HG2 THR 3 -7.859 -2.993 5.724
24 H LEU 4 H LEU 4 -8.058 0.791 1.952
25 HA LEU 4 HA LEU 4 -6.631 -1.169 0.358
26 HB2 LEU 4 2HB LEU 4 -8.345 1.254 -0.073
27 HB3 LEU 4 1HB LEU 4 -7.423 0.621 -1.437
28 HG LEU 4 HG LEU 4 -8.417 -1.637 -0.987
29 HD11 LEU 4 1HD1 LEU 4 -10.637 -1.362 0.425
30 HD12 LEU 4 2HD1 LEU 4 -9.746 -0.036 1.172
31 HD13 LEU 4 3HD1 LEU 4 -9.102 -1.677 1.235
32 HD21 LEU 4 3HD2 LEU 4 -10.323 -1.175 -2.236
33 HD22 LEU 4 1HD2 LEU 4 -9.406 0.310 -2.495
34 HD23 LEU 4 2HD2 LEU 4 -10.705 0.273 -1.304
35 H GLU 5 H GLU 5 -6.297 2.403 0.660
36 HA GLU 5 HA GLU 5 -3.891 2.623 -0.826
37 HB2 GLU 5 2HB GLU 5 -5.458 4.183 1.127
38 HB3 GLU 5 1HB GLU 5 -3.740 4.584 1.118
39 HG2 GLU 5 2HG GLU 5 -5.258 4.352 -1.471
40 HG3 GLU 5 1HG GLU 5 -5.319 5.844 -0.532
41 H LYS 6 H LYS 6 -4.463 1.776 2.549
42 HA LYS 6 HA LYS 6 -1.745 1.849 3.444
43 HB2 LYS 6 2HB LYS 6 -4.295 0.449 4.231
44 HB3 LYS 6 1HB LYS 6 -2.789 0.058 5.063
45 HG2 LYS 6 2HG LYS 6 -3.382 2.949 4.719
46 HG3 LYS 6 1HG LYS 6 -4.415 2.072 5.847
47 HD2 LYS 6 2HD LYS 6 -1.560 1.425 6.126
48 HD3 LYS 6 1HD LYS 6 -1.935 3.114 6.460
49 HE2 LYS 6 2HE LYS 6 -3.724 1.020 7.649
50 HE3 LYS 6 1HE LYS 6 -2.137 1.302 8.393
51 HZ1 LYS 6 3HZ LYS 6 -2.597 3.601 8.611
52 HZ2 LYS 6 1HZ LYS 6 -3.958 2.792 9.216
53 HZ3 LYS 6 2HZ LYS 6 -4.007 3.490 7.669
54 H LEU 7 H LEU 7 -3.424 -0.219 1.258
55 HA LEU 7 HA LEU 7 -1.557 -2.469 1.621
56 HB2 LEU 7 2HB LEU 7 -3.260 -3.685 0.684
57 HB3 LEU 7 1HB LEU 7 -4.226 -2.265 1.067
58 HG LEU 7 HG LEU 7 -3.402 -1.426 -1.292
59 HD11 LEU 7 1HD1 LEU 7 -2.057 -3.810 -1.237
60 HD12 LEU 7 2HD1 LEU 7 -2.501 -2.958 -2.715
61 HD13 LEU 7 3HD1 LEU 7 -3.522 -4.261 -2.108
62 HD21 LEU 7 3HD2 LEU 7 -5.607 -3.208 -0.451
63 HD22 LEU 7 1HD2 LEU 7 -5.316 -3.161 -2.190
64 HD23 LEU 7 2HD2 LEU 7 -5.670 -1.672 -1.314
65 H MET 8 H MET 8 -2.208 0.213 -0.532
66 HA MET 8 HA MET 8 -0.386 -0.735 -2.623
67 HB2 MET 8 2HB MET 8 -2.586 0.619 -2.834
68 HB3 MET 8 1HB MET 8 -1.620 2.004 -2.325
69 HG2 MET 8 2HG MET 8 -0.412 2.060 -4.280
70 HG3 MET 8 1HG MET 8 -0.499 0.314 -4.507
71 HE1 MET 8 3HE MET 8 -1.394 -0.158 -6.846
72 HE2 MET 8 1HE MET 8 -3.155 -0.335 -6.851
73 HE3 MET 8 2HE MET 8 -2.205 -0.968 -5.508
74 H LYS 9 H LYS 9 -0.537 2.077 -0.410
75 HA LYS 9 HA LYS 9 1.997 3.194 -0.954
76 HB2 LYS 9 2HB LYS 9 -0.127 3.461 0.908
77 HB3 LYS 9 1HB LYS 9 1.348 3.309 1.863
78 HG2 LYS 9 2HG LYS 9 1.152 5.634 1.422
79 HG3 LYS 9 1HG LYS 9 2.359 5.057 0.272
80 HD2 LYS 9 2HD LYS 9 -0.002 4.657 -1.102
81 HD3 LYS 9 1HD LYS 9 -0.322 6.154 -0.226
82 HE2 LYS 9 2HE LYS 9 1.188 7.340 -1.467
83 HE3 LYS 9 1HE LYS 9 2.356 6.004 -1.488
84 HZ1 LYS 9 3HZ LYS 9 1.435 6.265 -3.680
85 HZ2 LYS 9 1HZ LYS 9 -0.148 6.193 -3.078
86 HZ3 LYS 9 2HZ LYS 9 0.848 4.818 -3.013
87 H ALA 10 H ALA 10 1.191 0.278 0.798
88 HA ALA 10 HA ALA 10 3.650 0.033 2.287
89 HB1 ALA 10 1HB ALA 10 2.833 -2.390 2.381
90 HB2 ALA 10 2HB ALA 10 1.498 -1.880 1.347
91 HB3 ALA 10 3HB ALA 10 1.684 -1.180 2.955
92 H PHE 11 H PHE 11 2.524 -1.402 -0.798
93 HA PHE 11 HA PHE 11 4.864 -2.896 -1.378
94 HB2 PHE 11 2HB PHE 11 2.963 -1.491 -3.274
95 HB3 PHE 11 1HB PHE 11 3.932 -2.914 -3.637
96 HD1 PHE 11 1HD PHE 11 3.389 -3.996 -0.637
97 HD2 PHE 11 2HD PHE 11 0.925 -2.756 -3.932
98 HE1 PHE 11 1HE PHE 11 1.549 -5.429 0.199
99 HE2 PHE 11 2HE PHE 11 -0.913 -4.191 -3.095
100 HZ PHE 11 HZ PHE 11 -0.602 -5.528 -1.030
101 H GLU 12 H GLU 12 4.333 0.523 -1.447
102 HA GLU 12 HA GLU 12 6.794 0.928 -3.108
103 HB2 GLU 12 2HB GLU 12 4.173 2.152 -2.876
104 HB3 GLU 12 1HB GLU 12 5.440 3.355 -2.645
105 HG2 GLU 12 2HG GLU 12 5.847 1.437 -4.877
106 HG3 GLU 12 1HG GLU 12 4.554 2.618 -5.088
107 H SER 13 H SER 13 5.155 2.022 -0.137
108 HA SER 13 HA SER 13 7.413 3.613 0.748
109 HB2 SER 13 2HB SER 13 4.953 3.974 1.233
110 HB3 SER 13 1HB SER 13 5.046 2.598 2.329
111 HG SER 13 HG SER 13 6.244 3.742 3.683
112 H LEU 14 H LEU 14 6.319 0.328 1.297
113 HA LEU 14 HA LEU 14 7.677 -0.331 3.681
114 HB2 LEU 14 2HB LEU 14 6.120 -1.792 2.442
115 HB3 LEU 14 1HB LEU 14 7.316 -1.982 1.160
116 HG LEU 14 HG LEU 14 8.836 -2.704 3.260
117 HD11 LEU 14 1HD1 LEU 14 6.230 -3.950 4.046
118 HD12 LEU 14 2HD1 LEU 14 6.589 -2.324 4.625
119 HD13 LEU 14 3HD1 LEU 14 7.671 -3.660 5.021
120 HD21 LEU 14 3HD2 LEU 14 7.016 -4.195 1.426
121 HD22 LEU 14 1HD2 LEU 14 7.747 -5.103 2.749
122 HD23 LEU 14 2HD2 LEU 14 8.771 -4.276 1.576
123 H LYS 15 H LYS 15 8.981 -1.137 0.439
124 HA LYS 15 HA LYS 15 11.693 -0.323 1.403
125 HB2 LYS 15 2HB LYS 15 11.063 -2.816 1.673
126 HB3 LYS 15 1HB LYS 15 11.169 -2.895 -0.086
127 HG2 LYS 15 2HG LYS 15 13.465 -1.499 1.008
128 HG3 LYS 15 1HG LYS 15 13.301 -3.094 1.743
129 HD2 LYS 15 2HD LYS 15 13.019 -4.022 -0.608
130 HD3 LYS 15 1HD LYS 15 13.507 -2.435 -1.204
131 HE2 LYS 15 2HE LYS 15 15.477 -2.926 0.638
132 HE3 LYS 15 1HE LYS 15 15.155 -4.559 0.023
133 HZ1 LYS 15 3HZ LYS 15 15.773 -2.125 -1.561
134 HZ2 LYS 15 1HZ LYS 15 15.184 -3.559 -2.251
135 HZ3 LYS 15 2HZ LYS 15 16.690 -3.552 -1.464
136 H SER 16 H SER 16 9.512 -0.983 -1.291
137 HA SER 16 HA SER 16 11.271 -0.590 -3.473
138 HB2 SER 16 2HB SER 16 8.348 -0.303 -2.923
139 HB3 SER 16 1HB SER 16 8.965 0.310 -4.454
140 HG SER 16 HG SER 16 9.814 -1.744 -4.867
141 H PHE 17 H PHE 17 10.157 1.703 -1.144
142 HA PHE 17 HA PHE 17 10.008 4.114 -2.573
143 HB2 PHE 17 2HB PHE 17 10.492 5.141 -0.434
144 HB3 PHE 17 1HB PHE 17 9.583 3.666 -0.121
145 HD1 PHE 17 1HD PHE 17 13.011 5.121 -0.177
146 HD2 PHE 17 2HD PHE 17 10.524 1.879 1.149
147 HE1 PHE 17 1HE PHE 17 14.855 4.297 1.262
148 HE2 PHE 17 2HE PHE 17 12.370 1.056 2.588
149 HZ PHE 17 HZ PHE 17 14.534 2.264 2.644
150 HN1 NH2 18 2H PHE 17 13.369 5.400 -3.007
151 HN2 NH2 18 1H PHE 17 11.791 5.889 -2.616
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -14.921 2.515 5.692
2 H2 MET 1 2HT MET 1 -13.431 3.258 6.035
3 H3 MET 1 3HT MET 1 -14.645 3.193 7.222
4 HA MET 1 HA MET 1 -12.973 1.537 7.722
5 HB2 MET 1 2HB MET 1 -15.669 1.300 7.675
6 HB3 MET 1 1HB MET 1 -15.241 -0.047 6.621
7 HG2 MET 1 2HG MET 1 -13.902 -1.072 8.310
8 HG3 MET 1 1HG MET 1 -13.932 0.378 9.313
9 HE1 MET 1 3HE MET 1 -14.550 -2.198 10.774
10 HE2 MET 1 1HE MET 1 -15.976 -1.683 11.685
11 HE3 MET 1 2HE MET 1 -14.649 -0.558 11.407
12 H ALA 2 H ALA 2 -11.559 2.013 5.609
13 HA ALA 2 HA ALA 2 -11.445 -0.556 4.096
14 HB1 ALA 2 1HB ALA 2 -10.976 1.928 2.547
15 HB2 ALA 2 2HB ALA 2 -12.639 1.672 3.072
16 HB3 ALA 2 3HB ALA 2 -11.832 0.459 2.079
17 H THR 3 H THR 3 -9.315 -1.123 3.500
18 HA THR 3 HA THR 3 -7.149 0.766 4.367
19 HB THR 3 HB THR 3 -7.474 -1.099 5.936
20 HG1 THR 3 1HG THR 3 -5.226 -1.622 4.297
21 HG21 THR 3 3HG2 THR 3 -8.562 -2.728 4.554
22 HG22 THR 3 1HG2 THR 3 -7.027 -3.441 5.057
23 HG23 THR 3 2HG2 THR 3 -7.200 -2.775 3.433
24 H LEU 4 H LEU 4 -8.103 0.711 1.706
25 HA LEU 4 HA LEU 4 -6.565 -1.086 0.045
26 HB2 LEU 4 2HB LEU 4 -8.482 1.120 -0.195
27 HB3 LEU 4 1HB LEU 4 -7.272 1.135 -1.478
28 HG LEU 4 HG LEU 4 -8.402 -1.528 -0.839
29 HD11 LEU 4 1HD1 LEU 4 -10.260 0.431 -0.853
30 HD12 LEU 4 2HD1 LEU 4 -10.566 -1.175 -1.515
31 HD13 LEU 4 3HD1 LEU 4 -10.123 0.153 -2.589
32 HD21 LEU 4 3HD2 LEU 4 -8.428 -0.349 -3.567
33 HD22 LEU 4 1HD2 LEU 4 -7.860 -1.930 -3.030
34 HD23 LEU 4 2HD2 LEU 4 -6.843 -0.505 -2.812
35 H GLU 5 H GLU 5 -6.250 2.444 0.674
36 HA GLU 5 HA GLU 5 -3.794 2.804 -0.692
37 HB2 GLU 5 2HB GLU 5 -5.550 4.378 0.640
38 HB3 GLU 5 1HB GLU 5 -4.275 4.282 1.854
39 HG2 GLU 5 2HG GLU 5 -3.298 5.971 0.701
40 HG3 GLU 5 1HG GLU 5 -2.841 4.724 -0.460
41 H LYS 6 H LYS 6 -4.475 1.668 2.584
42 HA LYS 6 HA LYS 6 -1.783 1.631 3.553
43 HB2 LYS 6 2HB LYS 6 -4.409 0.344 4.171
44 HB3 LYS 6 1HB LYS 6 -2.970 -0.368 4.900
45 HG2 LYS 6 2HG LYS 6 -2.443 1.591 6.085
46 HG3 LYS 6 1HG LYS 6 -3.428 2.606 5.030
47 HD2 LYS 6 2HD LYS 6 -5.457 1.808 5.973
48 HD3 LYS 6 1HD LYS 6 -4.650 0.447 6.753
49 HE2 LYS 6 2HE LYS 6 -3.274 2.534 7.856
50 HE3 LYS 6 1HE LYS 6 -4.885 3.254 7.662
51 HZ1 LYS 6 3HZ LYS 6 -4.209 0.689 8.998
52 HZ2 LYS 6 1HZ LYS 6 -5.795 1.153 8.615
53 HZ3 LYS 6 2HZ LYS 6 -4.885 2.075 9.714
54 H LEU 7 H LEU 7 -3.402 -0.224 1.144
55 HA LEU 7 HA LEU 7 -1.549 -2.508 1.385
56 HB2 LEU 7 2HB LEU 7 -3.243 -3.657 0.362
57 HB3 LEU 7 1HB LEU 7 -4.213 -2.263 0.819
58 HG LEU 7 HG LEU 7 -3.355 -1.284 -1.474
59 HD11 LEU 7 1HD1 LEU 7 -2.540 -4.118 -1.537
60 HD12 LEU 7 2HD1 LEU 7 -1.955 -2.757 -2.493
61 HD13 LEU 7 3HD1 LEU 7 -3.440 -3.585 -2.957
62 HD21 LEU 7 3HD2 LEU 7 -5.263 -3.030 -2.458
63 HD22 LEU 7 1HD2 LEU 7 -5.606 -1.514 -1.625
64 HD23 LEU 7 2HD2 LEU 7 -5.595 -3.030 -0.726
65 H MET 8 H MET 8 -2.158 0.325 -0.573
66 HA MET 8 HA MET 8 -0.353 -0.495 -2.730
67 HB2 MET 8 2HB MET 8 -2.522 0.922 -2.827
68 HB3 MET 8 1HB MET 8 -1.522 2.241 -2.220
69 HG2 MET 8 2HG MET 8 -1.250 2.564 -4.495
70 HG3 MET 8 1HG MET 8 0.089 1.458 -4.190
71 HE1 MET 8 3HE MET 8 -1.696 1.567 -7.400
72 HE2 MET 8 1HE MET 8 -0.600 0.180 -7.439
73 HE3 MET 8 2HE MET 8 -0.134 1.649 -6.588
74 H LYS 9 H LYS 9 -0.438 2.260 -0.434
75 HA LYS 9 HA LYS 9 2.158 3.254 -0.885
76 HB2 LYS 9 2HB LYS 9 0.031 3.432 1.088
77 HB3 LYS 9 1HB LYS 9 1.610 3.520 1.867
78 HG2 LYS 9 2HG LYS 9 1.450 5.731 1.304
79 HG3 LYS 9 1HG LYS 9 2.048 5.152 -0.251
80 HD2 LYS 9 2HD LYS 9 -0.630 4.693 -0.528
81 HD3 LYS 9 1HD LYS 9 -0.640 6.138 0.484
82 HE2 LYS 9 2HE LYS 9 0.930 5.874 -2.107
83 HE3 LYS 9 1HE LYS 9 -0.626 6.714 -1.946
84 HZ1 LYS 9 3HZ LYS 9 0.388 8.036 -0.136
85 HZ2 LYS 9 1HZ LYS 9 1.118 8.307 -1.642
86 HZ3 LYS 9 2HZ LYS 9 1.890 7.327 -0.490
87 H ALA 10 H ALA 10 1.152 0.376 0.831
88 HA ALA 10 HA ALA 10 3.568 -0.010 2.365
89 HB1 ALA 10 1HB ALA 10 2.539 -2.427 2.330
90 HB2 ALA 10 2HB ALA 10 1.189 -1.643 1.511
91 HB3 ALA 10 3HB ALA 10 1.652 -1.133 3.134
92 H PHE 11 H PHE 11 2.433 -1.159 -0.814
93 HA PHE 11 HA PHE 11 4.693 -2.897 -1.289
94 HB2 PHE 11 2HB PHE 11 2.758 -1.537 -3.189
95 HB3 PHE 11 1HB PHE 11 3.731 -2.958 -3.552
96 HD1 PHE 11 2HD PHE 11 3.137 -3.741 -0.357
97 HD2 PHE 11 1HD PHE 11 0.848 -3.092 -3.937
98 HE1 PHE 11 2HE PHE 11 1.329 -5.181 0.535
99 HE2 PHE 11 1HE PHE 11 -0.954 -4.536 -3.043
100 HZ PHE 11 HZ PHE 11 -0.716 -5.581 -0.808
101 H GLU 12 H GLU 12 4.364 0.503 -1.316
102 HA GLU 12 HA GLU 12 6.740 0.797 -3.127
103 HB2 GLU 12 2HB GLU 12 4.159 2.089 -2.883
104 HB3 GLU 12 1HB GLU 12 5.449 3.272 -2.676
105 HG2 GLU 12 2HG GLU 12 5.302 1.298 -4.972
106 HG3 GLU 12 1HG GLU 12 4.756 2.973 -5.062
107 H SER 13 H SER 13 5.226 1.998 -0.135
108 HA SER 13 HA SER 13 7.615 3.482 0.644
109 HB2 SER 13 2HB SER 13 5.142 2.827 2.249
110 HB3 SER 13 1HB SER 13 6.232 4.190 2.481
111 HG SER 13 HG SER 13 5.504 5.084 0.602
112 H LEU 14 H LEU 14 6.173 0.378 1.369
113 HA LEU 14 HA LEU 14 7.928 -0.095 3.670
114 HB2 LEU 14 2HB LEU 14 5.435 -0.883 3.005
115 HB3 LEU 14 1HB LEU 14 6.347 -2.272 2.415
116 HG LEU 14 HG LEU 14 7.490 -2.363 4.669
117 HD11 LEU 14 1HD1 LEU 14 7.233 -0.368 5.776
118 HD12 LEU 14 2HD1 LEU 14 5.799 -1.180 6.406
119 HD13 LEU 14 3HD1 LEU 14 5.653 -0.055 5.056
120 HD21 LEU 14 3HD2 LEU 14 5.859 -3.780 5.463
121 HD22 LEU 14 1HD2 LEU 14 5.203 -3.523 3.847
122 HD23 LEU 14 2HD2 LEU 14 4.570 -2.603 5.212
123 H LYS 15 H LYS 15 7.932 -0.765 0.238
124 HA LYS 15 HA LYS 15 10.290 -2.580 0.630
125 HB2 LYS 15 2HB LYS 15 8.267 -3.616 -0.345
126 HB3 LYS 15 1HB LYS 15 8.273 -2.406 -1.630
127 HG2 LYS 15 2HG LYS 15 10.546 -3.174 -2.300
128 HG3 LYS 15 1HG LYS 15 10.453 -4.439 -1.074
129 HD2 LYS 15 2HD LYS 15 8.208 -5.073 -2.251
130 HD3 LYS 15 1HD LYS 15 8.854 -4.147 -3.607
131 HE2 LYS 15 2HE LYS 15 9.600 -6.369 -4.026
132 HE3 LYS 15 1HE LYS 15 11.007 -5.593 -3.269
133 HZ1 LYS 15 3HZ LYS 15 10.321 -7.762 -2.243
134 HZ2 LYS 15 1HZ LYS 15 8.900 -6.996 -1.722
135 HZ3 LYS 15 2HZ LYS 15 10.411 -6.453 -1.163
136 H SER 16 H SER 16 9.016 0.206 -1.144
137 HA SER 16 HA SER 16 11.589 0.488 -2.575
138 HB2 SER 16 2HB SER 16 8.958 0.747 -3.336
139 HB3 SER 16 1HB SER 16 9.432 2.422 -3.067
140 HG SER 16 HG SER 16 11.291 1.934 -4.410
141 H PHE 17 H PHE 17 9.563 2.013 -0.176
142 HA PHE 17 HA PHE 17 9.803 4.170 0.883
143 HB2 PHE 17 2HB PHE 17 12.127 3.777 2.197
144 HB3 PHE 17 1HB PHE 17 10.658 2.888 2.578
145 HD1 PHE 17 2HD PHE 17 13.736 2.734 0.451
146 HD2 PHE 17 1HD PHE 17 10.608 0.544 2.418
147 HE1 PHE 17 2HE PHE 17 14.875 0.603 -0.108
148 HE2 PHE 17 1HE PHE 17 11.748 -1.588 1.860
149 HZ PHE 17 HZ PHE 17 13.884 -1.556 0.598
150 HN1 NH2 18 2H PHE 17 11.813 5.944 -1.640
151 HN2 NH2 18 1H PHE 17 10.345 5.097 -1.558
Start of MODEL 5
1 H1 MET 1 1HT MET 1 -13.573 -0.060 2.572
2 H2 MET 1 2HT MET 1 -12.315 -0.446 1.497
3 H3 MET 1 3HT MET 1 -13.923 -0.408 0.950
4 HA MET 1 HA MET 1 -12.586 1.587 0.300
5 HB2 MET 1 2HB MET 1 -15.084 1.399 0.476
6 HB3 MET 1 1HB MET 1 -14.971 1.986 2.136
7 HG2 MET 1 2HG MET 1 -14.337 4.127 1.484
8 HG3 MET 1 1HG MET 1 -13.675 3.572 -0.054
9 HE1 MET 1 3HE MET 1 -16.823 5.851 0.887
10 HE2 MET 1 1HE MET 1 -16.238 6.154 -0.755
11 HE3 MET 1 2HE MET 1 -15.092 5.911 0.562
12 H ALA 2 H ALA 2 -11.055 0.674 2.577
13 HA ALA 2 HA ALA 2 -10.390 3.282 3.770
14 HB1 ALA 2 1HB ALA 2 -10.624 1.838 6.069
15 HB2 ALA 2 2HB ALA 2 -11.938 1.142 5.121
16 HB3 ALA 2 3HB ALA 2 -11.904 2.877 5.442
17 H THR 3 H THR 3 -9.892 -0.256 3.921
18 HA THR 3 HA THR 3 -7.047 0.161 4.675
19 HB THR 3 HB THR 3 -8.593 -2.413 4.266
20 HG1 THR 3 1HG THR 3 -8.367 -0.761 6.560
21 HG21 THR 3 3HG2 THR 3 -6.055 -1.615 5.678
22 HG22 THR 3 1HG2 THR 3 -6.305 -2.912 4.509
23 HG23 THR 3 2HG2 THR 3 -6.933 -3.070 6.149
24 H LEU 4 H LEU 4 -7.689 1.033 2.057
25 HA LEU 4 HA LEU 4 -6.644 -1.116 0.297
26 HB2 LEU 4 2HB LEU 4 -8.298 1.368 -0.047
27 HB3 LEU 4 1HB LEU 4 -7.430 0.711 -1.435
28 HG LEU 4 HG LEU 4 -9.049 -1.167 0.242
29 HD11 LEU 4 1HD1 LEU 4 -10.431 0.930 -0.270
30 HD12 LEU 4 2HD1 LEU 4 -11.097 -0.601 -0.841
31 HD13 LEU 4 3HD1 LEU 4 -10.285 0.484 -1.969
32 HD21 LEU 4 3HD2 LEU 4 -8.410 -0.897 -2.713
33 HD22 LEU 4 1HD2 LEU 4 -9.397 -2.184 -2.021
34 HD23 LEU 4 2HD2 LEU 4 -7.694 -2.048 -1.587
35 H GLU 5 H GLU 5 -6.276 2.436 0.721
36 HA GLU 5 HA GLU 5 -3.869 2.686 -0.754
37 HB2 GLU 5 2HB GLU 5 -5.449 4.198 1.207
38 HB3 GLU 5 1HB GLU 5 -3.727 4.559 1.301
39 HG2 GLU 5 2HG GLU 5 -3.825 5.775 -0.592
40 HG3 GLU 5 1HG GLU 5 -4.541 4.422 -1.467
41 H LYS 6 H LYS 6 -4.451 1.722 2.587
42 HA LYS 6 HA LYS 6 -1.735 1.740 3.491
43 HB2 LYS 6 2HB LYS 6 -4.103 1.399 4.655
44 HB3 LYS 6 1HB LYS 6 -3.743 -0.305 4.378
45 HG2 LYS 6 2HG LYS 6 -1.985 -0.321 5.860
46 HG3 LYS 6 1HG LYS 6 -1.568 1.363 5.544
47 HD2 LYS 6 2HD LYS 6 -3.000 2.157 7.137
48 HD3 LYS 6 1HD LYS 6 -4.211 0.918 6.810
49 HE2 LYS 6 2HE LYS 6 -3.197 -0.640 8.231
50 HE3 LYS 6 1HE LYS 6 -1.606 0.137 8.107
51 HZ1 LYS 6 3HZ LYS 6 -2.515 2.078 9.245
52 HZ2 LYS 6 1HZ LYS 6 -2.646 0.692 10.214
53 HZ3 LYS 6 2HZ LYS 6 -4.015 1.297 9.409
54 H LEU 7 H LEU 7 -3.426 -0.231 1.226
55 HA LEU 7 HA LEU 7 -1.574 -2.505 1.506
56 HB2 LEU 7 2HB LEU 7 -3.286 -3.675 0.530
57 HB3 LEU 7 1HB LEU 7 -4.242 -2.265 0.968
58 HG LEU 7 HG LEU 7 -3.421 -1.346 -1.362
59 HD11 LEU 7 1HD1 LEU 7 -2.525 -4.132 -1.351
60 HD12 LEU 7 2HD1 LEU 7 -2.097 -2.819 -2.449
61 HD13 LEU 7 3HD1 LEU 7 -3.564 -3.758 -2.727
62 HD21 LEU 7 3HD2 LEU 7 -5.634 -3.146 -0.578
63 HD22 LEU 7 1HD2 LEU 7 -5.350 -3.031 -2.316
64 HD23 LEU 7 2HD2 LEU 7 -5.691 -1.575 -1.379
65 H MET 8 H MET 8 -2.199 0.263 -0.541
66 HA MET 8 HA MET 8 -0.401 -0.629 -2.676
67 HB2 MET 8 2HB MET 8 -2.570 0.722 -2.885
68 HB3 MET 8 1HB MET 8 -1.659 2.084 -2.233
69 HG2 MET 8 2HG MET 8 -0.146 2.083 -4.080
70 HG3 MET 8 1HG MET 8 -0.720 0.513 -4.640
71 HE1 MET 8 3HE MET 8 -1.295 3.173 -7.185
72 HE2 MET 8 1HE MET 8 -1.897 1.529 -7.442
73 HE3 MET 8 2HE MET 8 -0.376 1.792 -6.592
74 H LYS 9 H LYS 9 -0.507 2.174 -0.446
75 HA LYS 9 HA LYS 9 2.050 3.232 -0.960
76 HB2 LYS 9 2HB LYS 9 0.003 3.287 1.147
77 HB3 LYS 9 1HB LYS 9 1.629 3.594 1.759
78 HG2 LYS 9 2HG LYS 9 1.663 5.653 0.844
79 HG3 LYS 9 1HG LYS 9 1.178 5.023 -0.731
80 HD2 LYS 9 2HD LYS 9 -1.176 4.803 0.573
81 HD3 LYS 9 1HD LYS 9 -0.491 6.178 1.440
82 HE2 LYS 9 2HE LYS 9 0.094 6.880 -1.134
83 HE3 LYS 9 1HE LYS 9 -1.438 6.012 -1.361
84 HZ1 LYS 9 3HZ LYS 9 -0.963 8.118 0.684
85 HZ2 LYS 9 1HZ LYS 9 -2.429 7.314 0.393
86 HZ3 LYS 9 2HZ LYS 9 -1.787 8.361 -0.782
87 H ALA 10 H ALA 10 1.178 0.337 0.805
88 HA ALA 10 HA ALA 10 3.627 0.043 2.295
89 HB1 ALA 10 1HB ALA 10 1.198 -1.499 1.598
90 HB2 ALA 10 2HB ALA 10 2.015 -1.340 3.153
91 HB3 ALA 10 3HB ALA 10 2.618 -2.482 1.953
92 H PHE 11 H PHE 11 2.488 -1.370 -0.793
93 HA PHE 11 HA PHE 11 4.804 -2.914 -1.348
94 HB2 PHE 11 2HB PHE 11 2.919 -1.502 -3.255
95 HB3 PHE 11 1HB PHE 11 3.879 -2.934 -3.612
96 HD1 PHE 11 1HD PHE 11 3.280 -3.911 -0.544
97 HD2 PHE 11 2HD PHE 11 0.916 -2.847 -3.973
98 HE1 PHE 11 1HE PHE 11 1.426 -5.325 0.294
99 HE2 PHE 11 2HE PHE 11 -0.934 -4.265 -3.134
100 HZ PHE 11 HZ PHE 11 -0.680 -5.505 -1.002
101 H GLU 12 H GLU 12 4.339 0.508 -1.425
102 HA GLU 12 HA GLU 12 6.808 0.860 -3.088
103 HB2 GLU 12 2HB GLU 12 4.202 2.129 -2.877
104 HB3 GLU 12 1HB GLU 12 5.495 3.311 -2.680
105 HG2 GLU 12 2HG GLU 12 5.428 1.297 -4.940
106 HG3 GLU 12 1HG GLU 12 4.761 2.924 -5.075
107 H SER 13 H SER 13 5.168 2.007 -0.140
108 HA SER 13 HA SER 13 7.443 3.584 0.734
109 HB2 SER 13 2HB SER 13 6.000 4.210 2.490
110 HB3 SER 13 1HB SER 13 4.897 3.857 1.163
111 HG SER 13 HG SER 13 4.777 2.820 3.491
112 H LEU 14 H LEU 14 6.317 0.317 1.305
113 HA LEU 14 HA LEU 14 7.588 -0.347 3.723
114 HB2 LEU 14 2HB LEU 14 6.127 -1.840 2.435
115 HB3 LEU 14 1HB LEU 14 7.342 -1.957 1.161
116 HG LEU 14 HG LEU 14 8.733 -2.617 3.499
117 HD11 LEU 14 1HD1 LEU 14 6.013 -3.962 3.461
118 HD12 LEU 14 2HD1 LEU 14 6.581 -2.829 4.688
119 HD13 LEU 14 3HD1 LEU 14 7.361 -4.401 4.511
120 HD21 LEU 14 3HD2 LEU 14 7.509 -4.808 1.892
121 HD22 LEU 14 1HD2 LEU 14 9.198 -4.540 2.324
122 HD23 LEU 14 2HD2 LEU 14 8.466 -3.617 1.011
123 H LYS 15 H LYS 15 9.070 -1.157 0.561
124 HA LYS 15 HA LYS 15 11.732 -0.432 1.741
125 HB2 LYS 15 2HB LYS 15 11.080 -2.911 1.538
126 HB3 LYS 15 1HB LYS 15 11.205 -2.680 -0.207
127 HG2 LYS 15 2HG LYS 15 13.538 -1.528 0.672
128 HG3 LYS 15 1HG LYS 15 13.338 -2.850 1.822
129 HD2 LYS 15 2HD LYS 15 13.115 -4.453 -0.014
130 HD3 LYS 15 1HD LYS 15 13.225 -3.147 -1.194
131 HE2 LYS 15 2HE LYS 15 15.417 -3.680 0.834
132 HE3 LYS 15 1HE LYS 15 15.408 -4.407 -0.785
133 HZ1 LYS 15 3HZ LYS 15 15.035 -2.105 -1.657
134 HZ2 LYS 15 1HZ LYS 15 16.566 -2.362 -0.971
135 HZ3 LYS 15 2HZ LYS 15 15.376 -1.520 -0.098
136 H SER 16 H SER 16 9.662 -0.519 -1.110
137 HA SER 16 HA SER 16 11.562 0.263 -3.081
138 HB2 SER 16 2HB SER 16 8.638 0.173 -2.695
139 HB3 SER 16 1HB SER 16 9.180 1.345 -3.892
140 HG SER 16 HG SER 16 10.452 -0.425 -4.781
141 H PHE 17 H PHE 17 10.255 2.047 -0.441
142 HA PHE 17 HA PHE 17 10.086 4.681 -1.409
143 HB2 PHE 17 2HB PHE 17 10.405 5.298 0.908
144 HB3 PHE 17 1HB PHE 17 9.543 3.763 0.885
145 HD1 PHE 17 1HD PHE 17 12.868 5.344 1.382
146 HD2 PHE 17 2HD PHE 17 10.526 1.764 1.778
147 HE1 PHE 17 1HE PHE 17 14.667 4.317 2.746
148 HE2 PHE 17 2HE PHE 17 12.327 0.739 3.143
149 HZ PHE 17 HZ PHE 17 14.396 2.015 3.625
150 HN1 NH2 18 2H PHE 17 14.120 3.955 -1.213
151 HN2 NH2 18 1H PHE 17 13.010 2.770 -0.719
Start of MODEL 6
1 H1 MET 1 1HT MET 1 -13.097 -1.446 5.618
2 H2 MET 1 2HT MET 1 -13.389 -0.993 7.229
3 H3 MET 1 3HT MET 1 -11.854 -0.751 6.540
4 HA MET 1 HA MET 1 -14.353 0.622 5.682
5 HB2 MET 1 2HB MET 1 -13.016 0.964 7.997
6 HB3 MET 1 1HB MET 1 -12.020 1.976 6.950
7 HG2 MET 1 2HG MET 1 -13.625 3.566 6.779
8 HG3 MET 1 1HG MET 1 -14.896 2.373 6.524
9 HE1 MET 1 3HE MET 1 -15.260 0.568 8.686
10 HE2 MET 1 1HE MET 1 -16.546 1.655 8.144
11 HE3 MET 1 2HE MET 1 -16.238 1.438 9.864
12 H ALA 2 H ALA 2 -12.909 -0.675 3.732
13 HA ALA 2 HA ALA 2 -11.672 -0.318 1.752
14 HB1 ALA 2 1HB ALA 2 -13.079 2.141 2.535
15 HB2 ALA 2 2HB ALA 2 -13.009 1.343 0.964
16 HB3 ALA 2 3HB ALA 2 -11.715 2.435 1.457
17 H THR 3 H THR 3 -9.587 -0.943 2.578
18 HA THR 3 HA THR 3 -7.811 1.351 3.354
19 HB THR 3 HB THR 3 -6.547 -0.374 4.621
20 HG1 THR 3 1HG THR 3 -8.677 -2.097 3.910
21 HG21 THR 3 3HG2 THR 3 -9.439 -0.697 5.379
22 HG22 THR 3 1HG2 THR 3 -8.662 0.881 5.499
23 HG23 THR 3 2HG2 THR 3 -8.036 -0.482 6.426
24 H LEU 4 H LEU 4 -8.260 0.777 0.633
25 HA LEU 4 HA LEU 4 -6.400 -1.078 -0.507
26 HB2 LEU 4 2HB LEU 4 -8.136 1.173 -1.338
27 HB3 LEU 4 1HB LEU 4 -6.763 0.865 -2.402
28 HG LEU 4 HG LEU 4 -7.637 -1.679 -1.972
29 HD11 LEU 4 1HD1 LEU 4 -9.623 -0.356 -0.755
30 HD12 LEU 4 2HD1 LEU 4 -9.917 -1.833 -1.674
31 HD13 LEU 4 3HD1 LEU 4 -10.226 -0.260 -2.410
32 HD21 LEU 4 3HD2 LEU 4 -8.952 0.027 -4.081
33 HD22 LEU 4 1HD2 LEU 4 -8.333 -1.618 -4.221
34 HD23 LEU 4 2HD2 LEU 4 -7.212 -0.260 -4.123
35 H GLU 5 H GLU 5 -6.181 2.496 -0.166
36 HA GLU 5 HA GLU 5 -3.508 2.747 -1.081
37 HB2 GLU 5 2HB GLU 5 -5.477 4.285 0.501
38 HB3 GLU 5 1HB GLU 5 -3.797 4.719 0.816
39 HG2 GLU 5 2HG GLU 5 -3.469 5.548 -1.299
40 HG3 GLU 5 1HG GLU 5 -4.570 4.385 -2.037
41 H LYS 6 H LYS 6 -4.802 1.976 2.118
42 HA LYS 6 HA LYS 6 -2.315 2.032 3.541
43 HB2 LYS 6 2HB LYS 6 -5.092 1.171 3.889
44 HB3 LYS 6 1HB LYS 6 -3.958 0.105 4.718
45 HG2 LYS 6 2HG LYS 6 -3.279 2.930 5.066
46 HG3 LYS 6 1HG LYS 6 -4.889 2.548 5.675
47 HD2 LYS 6 2HD LYS 6 -4.082 1.001 7.230
48 HD3 LYS 6 1HD LYS 6 -2.581 0.741 6.338
49 HE2 LYS 6 2HE LYS 6 -1.541 2.510 7.343
50 HE3 LYS 6 1HE LYS 6 -2.997 3.524 7.269
51 HZ1 LYS 6 3HZ LYS 6 -2.471 2.848 9.557
52 HZ2 LYS 6 1HZ LYS 6 -2.614 1.219 9.107
53 HZ3 LYS 6 2HZ LYS 6 -3.973 2.238 9.046
54 H LEU 7 H LEU 7 -3.535 -0.067 1.110
55 HA LEU 7 HA LEU 7 -1.783 -2.297 1.952
56 HB2 LEU 7 2HB LEU 7 -3.396 -3.609 1.011
57 HB3 LEU 7 1HB LEU 7 -4.382 -2.152 1.047
58 HG LEU 7 HG LEU 7 -3.298 -1.638 -1.265
59 HD11 LEU 7 1HD1 LEU 7 -2.349 -4.372 -0.664
60 HD12 LEU 7 2HD1 LEU 7 -1.691 -3.164 -1.767
61 HD13 LEU 7 3HD1 LEU 7 -3.051 -4.168 -2.270
62 HD21 LEU 7 3HD2 LEU 7 -5.322 -2.262 -2.061
63 HD22 LEU 7 1HD2 LEU 7 -5.647 -2.913 -0.454
64 HD23 LEU 7 2HD2 LEU 7 -5.008 -3.963 -1.719
65 H MET 8 H MET 8 -2.228 0.145 -0.528
66 HA MET 8 HA MET 8 -0.200 -0.957 -2.323
67 HB2 MET 8 2HB MET 8 -2.235 0.310 -3.040
68 HB3 MET 8 1HB MET 8 -1.585 1.741 -2.238
69 HG2 MET 8 2HG MET 8 0.542 1.237 -3.713
70 HG3 MET 8 1HG MET 8 -0.609 0.351 -4.714
71 HE1 MET 8 3HE MET 8 0.947 3.113 -5.939
72 HE2 MET 8 1HE MET 8 -0.483 3.244 -6.971
73 HE3 MET 8 2HE MET 8 0.129 1.659 -6.505
74 H LYS 9 H LYS 9 -0.454 1.685 0.040
75 HA LYS 9 HA LYS 9 1.974 3.029 -0.403
76 HB2 LYS 9 2HB LYS 9 0.008 2.653 1.714
77 HB3 LYS 9 1HB LYS 9 1.626 2.864 2.381
78 HG2 LYS 9 2HG LYS 9 0.769 5.069 2.163
79 HG3 LYS 9 1HG LYS 9 1.847 4.864 0.783
80 HD2 LYS 9 2HD LYS 9 -0.861 3.946 0.194
81 HD3 LYS 9 1HD LYS 9 -0.828 5.643 0.667
82 HE2 LYS 9 2HE LYS 9 0.776 6.175 -1.063
83 HE3 LYS 9 1HE LYS 9 1.007 4.456 -1.443
84 HZ1 LYS 9 3HZ LYS 9 -0.581 5.328 -2.977
85 HZ2 LYS 9 1HZ LYS 9 -1.492 6.034 -1.734
86 HZ3 LYS 9 2HZ LYS 9 -1.422 4.343 -1.878
87 H ALA 10 H ALA 10 1.421 -0.140 1.004
88 HA ALA 10 HA ALA 10 4.051 -0.412 2.203
89 HB1 ALA 10 1HB ALA 10 3.082 -2.304 3.033
90 HB2 ALA 10 2HB ALA 10 2.590 -2.848 1.430
91 HB3 ALA 10 3HB ALA 10 1.595 -1.689 2.312
92 H PHE 11 H PHE 11 2.664 -1.031 -0.971
93 HA PHE 11 HA PHE 11 4.891 -2.696 -1.867
94 HB2 PHE 11 2HB PHE 11 2.705 -1.211 -3.360
95 HB3 PHE 11 1HB PHE 11 3.697 -2.509 -4.017
96 HD1 PHE 11 2HD PHE 11 3.466 -3.674 -0.861
97 HD2 PHE 11 1HD PHE 11 0.836 -2.839 -4.159
98 HE1 PHE 11 2HE PHE 11 1.842 -5.321 0.016
99 HE2 PHE 11 1HE PHE 11 -0.785 -4.490 -3.275
100 HZ PHE 11 HZ PHE 11 -0.282 -5.735 -1.193
101 H GLU 12 H GLU 12 4.515 0.593 -1.271
102 HA GLU 12 HA GLU 12 6.716 1.286 -3.194
103 HB2 GLU 12 2HB GLU 12 4.052 2.361 -2.720
104 HB3 GLU 12 1HB GLU 12 5.286 3.604 -2.520
105 HG2 GLU 12 2HG GLU 12 6.255 2.886 -4.738
106 HG3 GLU 12 1HG GLU 12 4.851 1.838 -4.944
107 H SER 13 H SER 13 5.204 2.006 -0.045
108 HA SER 13 HA SER 13 7.349 3.726 0.854
109 HB2 SER 13 2HB SER 13 6.036 3.895 2.808
110 HB3 SER 13 1HB SER 13 4.849 3.576 1.547
111 HG SER 13 HG SER 13 5.943 1.816 3.470
112 H LEU 14 H LEU 14 6.667 0.299 1.051
113 HA LEU 14 HA LEU 14 8.224 -0.600 3.183
114 HB2 LEU 14 2HB LEU 14 7.313 -1.583 0.591
115 HB3 LEU 14 1HB LEU 14 8.828 -2.335 1.074
116 HG LEU 14 HG LEU 14 6.848 -3.596 1.903
117 HD11 LEU 14 1HD1 LEU 14 7.698 -3.938 4.110
118 HD12 LEU 14 2HD1 LEU 14 8.315 -2.288 4.203
119 HD13 LEU 14 3HD1 LEU 14 9.082 -3.457 3.129
120 HD21 LEU 14 3HD2 LEU 14 5.921 -0.986 2.537
121 HD22 LEU 14 1HD2 LEU 14 6.140 -1.829 4.070
122 HD23 LEU 14 2HD2 LEU 14 5.097 -2.516 2.827
123 H LYS 15 H LYS 15 9.601 -0.608 -0.122
124 HA LYS 15 HA LYS 15 12.224 0.219 1.080
125 HB2 LYS 15 2HB LYS 15 11.997 -2.168 0.340
126 HB3 LYS 15 1HB LYS 15 11.688 -1.585 -1.296
127 HG2 LYS 15 2HG LYS 15 13.986 -0.213 -0.582
128 HG3 LYS 15 1HG LYS 15 14.227 -1.795 0.160
129 HD2 LYS 15 2HD LYS 15 14.427 -2.849 -1.849
130 HD3 LYS 15 1HD LYS 15 13.155 -1.879 -2.592
131 HE2 LYS 15 2HE LYS 15 15.865 -0.692 -1.951
132 HE3 LYS 15 1HE LYS 15 15.537 -1.502 -3.496
133 HZ1 LYS 15 3HZ LYS 15 13.635 -0.069 -3.826
134 HZ2 LYS 15 1HZ LYS 15 15.023 0.878 -3.599
135 HZ3 LYS 15 2HZ LYS 15 13.905 0.695 -2.333
136 H SER 16 H SER 16 9.969 0.578 -1.605
137 HA SER 16 HA SER 16 11.619 2.118 -3.355
138 HB2 SER 16 2HB SER 16 8.820 1.355 -3.007
139 HB3 SER 16 1HB SER 16 8.991 2.958 -3.716
140 HG SER 16 HG SER 16 10.320 0.607 -4.602
141 H PHE 17 H PHE 17 10.264 2.924 -0.309
142 HA PHE 17 HA PHE 17 9.552 5.619 -0.472
143 HB2 PHE 17 2HB PHE 17 10.150 5.685 1.883
144 HB3 PHE 17 1HB PHE 17 9.519 4.081 1.521
145 HD1 PHE 17 2HD PHE 17 12.643 6.038 2.024
146 HD2 PHE 17 1HD PHE 17 10.885 2.128 1.752
147 HE1 PHE 17 2HE PHE 17 14.758 5.029 2.835
148 HE2 PHE 17 1HE PHE 17 13.000 1.121 2.568
149 HZ PHE 17 HZ PHE 17 14.936 2.572 3.108
150 HN1 NH2 18 2H PHE 17 12.449 7.695 -0.685
151 HN2 NH2 18 1H PHE 17 10.800 7.631 -0.287
Start of MODEL 7
1 H1 MET 1 1HT MET 1 -15.068 -0.877 7.339
2 H2 MET 1 2HT MET 1 -14.654 0.558 8.149
3 H3 MET 1 3HT MET 1 -14.911 -0.873 9.028
4 HA MET 1 HA MET 1 -12.512 -0.276 8.735
5 HB2 MET 1 2HB MET 1 -13.847 -2.615 8.909
6 HB3 MET 1 1HB MET 1 -13.053 -2.861 7.353
7 HG2 MET 1 2HG MET 1 -10.921 -2.794 8.272
8 HG3 MET 1 1HG MET 1 -11.432 -1.808 9.643
9 HE1 MET 1 3HE MET 1 -10.177 -5.647 9.326
10 HE2 MET 1 1HE MET 1 -9.801 -4.878 10.874
11 HE3 MET 1 2HE MET 1 -9.598 -3.985 9.369
12 H ALA 2 H ALA 2 -10.951 0.351 7.269
13 HA ALA 2 HA ALA 2 -11.198 -0.327 4.405
14 HB1 ALA 2 1HB ALA 2 -10.973 2.294 4.037
15 HB2 ALA 2 2HB ALA 2 -11.735 2.361 5.625
16 HB3 ALA 2 3HB ALA 2 -12.558 1.562 4.285
17 H THR 3 H THR 3 -9.133 -0.699 3.700
18 HA THR 3 HA THR 3 -6.909 1.020 4.620
19 HB THR 3 HB THR 3 -7.149 -0.716 6.356
20 HG1 THR 3 1HG THR 3 -4.960 -1.275 4.646
21 HG21 THR 3 3HG2 THR 3 -7.521 -2.910 5.906
22 HG22 THR 3 1HG2 THR 3 -6.363 -2.929 4.576
23 HG23 THR 3 2HG2 THR 3 -7.999 -2.330 4.311
24 H LEU 4 H LEU 4 -8.018 0.741 2.034
25 HA LEU 4 HA LEU 4 -6.571 -1.193 0.444
26 HB2 LEU 4 2HB LEU 4 -8.155 1.323 -0.121
27 HB3 LEU 4 1HB LEU 4 -7.463 0.338 -1.409
28 HG LEU 4 HG LEU 4 -9.139 -0.968 0.715
29 HD11 LEU 4 1HD1 LEU 4 -11.163 -0.494 -0.458
30 HD12 LEU 4 2HD1 LEU 4 -10.292 0.211 -1.822
31 HD13 LEU 4 3HD1 LEU 4 -10.347 1.060 -0.277
32 HD21 LEU 4 3HD2 LEU 4 -9.695 -2.398 -1.327
33 HD22 LEU 4 1HD2 LEU 4 -8.019 -2.466 -0.784
34 HD23 LEU 4 2HD2 LEU 4 -8.452 -1.491 -2.188
35 H GLU 5 H GLU 5 -6.275 2.385 0.694
36 HA GLU 5 HA GLU 5 -3.889 2.612 -0.824
37 HB2 GLU 5 2HB GLU 5 -5.536 4.201 0.967
38 HB3 GLU 5 1HB GLU 5 -3.828 4.552 1.231
39 HG2 GLU 5 2HG GLU 5 -3.535 5.424 -0.877
40 HG3 GLU 5 1HG GLU 5 -4.750 4.367 -1.597
41 H LYS 6 H LYS 6 -4.422 1.791 2.560
42 HA LYS 6 HA LYS 6 -1.693 1.911 3.429
43 HB2 LYS 6 2HB LYS 6 -4.260 0.616 4.271
44 HB3 LYS 6 1HB LYS 6 -2.769 0.065 5.035
45 HG2 LYS 6 2HG LYS 6 -3.079 3.005 4.826
46 HG3 LYS 6 1HG LYS 6 -4.204 2.199 5.920
47 HD2 LYS 6 2HD LYS 6 -1.914 0.947 6.630
48 HD3 LYS 6 1HD LYS 6 -1.256 2.505 6.127
49 HE2 LYS 6 2HE LYS 6 -1.761 2.997 8.344
50 HE3 LYS 6 1HE LYS 6 -3.320 3.406 7.600
51 HZ1 LYS 6 3HZ LYS 6 -3.947 1.028 7.910
52 HZ2 LYS 6 1HZ LYS 6 -3.761 1.887 9.360
53 HZ3 LYS 6 2HZ LYS 6 -2.542 0.824 8.842
54 H LEU 7 H LEU 7 -3.367 -0.198 1.284
55 HA LEU 7 HA LEU 7 -1.476 -2.426 1.674
56 HB2 LEU 7 2HB LEU 7 -3.186 -3.683 0.815
57 HB3 LEU 7 1HB LEU 7 -4.161 -2.260 1.165
58 HG LEU 7 HG LEU 7 -3.398 -1.490 -1.230
59 HD11 LEU 7 1HD1 LEU 7 -2.020 -3.874 -1.103
60 HD12 LEU 7 2HD1 LEU 7 -2.431 -3.025 -2.593
61 HD13 LEU 7 3HD1 LEU 7 -3.467 -4.326 -2.004
62 HD21 LEU 7 3HD2 LEU 7 -5.643 -2.836 -0.182
63 HD22 LEU 7 1HD2 LEU 7 -5.274 -3.648 -1.704
64 HD23 LEU 7 2HD2 LEU 7 -5.567 -1.910 -1.680
65 H MET 8 H MET 8 -2.225 0.179 -0.550
66 HA MET 8 HA MET 8 -0.453 -0.791 -2.663
67 HB2 MET 8 2HB MET 8 -2.658 0.763 -2.593
68 HB3 MET 8 1HB MET 8 -1.423 2.022 -2.530
69 HG2 MET 8 2HG MET 8 -0.375 0.512 -4.493
70 HG3 MET 8 1HG MET 8 -2.078 0.117 -4.725
71 HE1 MET 8 3HE MET 8 -3.738 1.854 -4.140
72 HE2 MET 8 1HE MET 8 -3.919 2.201 -5.865
73 HE3 MET 8 2HE MET 8 -3.737 3.521 -4.711
74 H LYS 9 H LYS 9 -0.501 2.134 -0.590
75 HA LYS 9 HA LYS 9 2.094 3.086 -1.175
76 HB2 LYS 9 2HB LYS 9 -0.041 3.555 0.669
77 HB3 LYS 9 1HB LYS 9 1.459 3.498 1.596
78 HG2 LYS 9 2HG LYS 9 1.110 5.782 0.863
79 HG3 LYS 9 1HG LYS 9 2.463 5.109 -0.047
80 HD2 LYS 9 2HD LYS 9 0.044 4.494 -1.456
81 HD3 LYS 9 1HD LYS 9 0.037 6.215 -1.069
82 HE2 LYS 9 2HE LYS 9 2.126 6.576 -2.188
83 HE3 LYS 9 1HE LYS 9 2.436 4.832 -2.311
84 HZ1 LYS 9 3HZ LYS 9 0.054 6.156 -3.487
85 HZ2 LYS 9 1HZ LYS 9 0.577 4.562 -3.740
86 HZ3 LYS 9 2HZ LYS 9 1.479 5.860 -4.364
87 H ALA 10 H ALA 10 1.101 0.368 0.783
88 HA ALA 10 HA ALA 10 3.467 0.089 2.380
89 HB1 ALA 10 1HB ALA 10 1.645 -1.146 3.124
90 HB2 ALA 10 2HB ALA 10 2.525 -2.401 2.250
91 HB3 ALA 10 3HB ALA 10 1.155 -1.591 1.490
92 H PHE 11 H PHE 11 2.508 -1.253 -0.788
93 HA PHE 11 HA PHE 11 4.870 -2.859 -1.154
94 HB2 PHE 11 2HB PHE 11 2.996 -1.613 -3.186
95 HB3 PHE 11 1HB PHE 11 3.996 -3.042 -3.427
96 HD1 PHE 11 1HD PHE 11 3.383 -3.951 -0.390
97 HD2 PHE 11 2HD PHE 11 0.992 -2.934 -3.813
98 HE1 PHE 11 1HE PHE 11 1.537 -5.361 0.477
99 HE2 PHE 11 2HE PHE 11 -0.851 -4.345 -2.944
100 HZ PHE 11 HZ PHE 11 -0.578 -5.559 -0.800
101 H GLU 12 H GLU 12 4.237 0.535 -1.477
102 HA GLU 12 HA GLU 12 6.654 0.929 -3.187
103 HB2 GLU 12 2HB GLU 12 4.066 2.197 -2.775
104 HB3 GLU 12 1HB GLU 12 5.373 3.373 -2.647
105 HG2 GLU 12 2HG GLU 12 5.567 1.429 -4.888
106 HG3 GLU 12 1HG GLU 12 4.296 2.646 -5.012
107 H SER 13 H SER 13 5.216 2.068 -0.119
108 HA SER 13 HA SER 13 7.698 3.435 0.631
109 HB2 SER 13 2HB SER 13 5.030 3.822 1.090
110 HB3 SER 13 1HB SER 13 5.534 3.077 2.603
111 HG SER 13 HG SER 13 5.819 5.560 1.948
112 H LEU 14 H LEU 14 6.054 0.437 1.361
113 HA LEU 14 HA LEU 14 7.964 -0.152 3.545
114 HB2 LEU 14 2HB LEU 14 5.230 -0.590 3.114
115 HB3 LEU 14 1HB LEU 14 5.969 -2.183 2.945
116 HG LEU 14 HG LEU 14 6.617 -0.353 5.263
117 HD11 LEU 14 1HD1 LEU 14 4.438 -2.448 5.022
118 HD12 LEU 14 2HD1 LEU 14 4.226 -0.732 5.370
119 HD13 LEU 14 3HD1 LEU 14 4.998 -1.784 6.557
120 HD21 LEU 14 3HD2 LEU 14 7.161 -2.625 6.282
121 HD22 LEU 14 1HD2 LEU 14 8.218 -2.118 4.964
122 HD23 LEU 14 2HD2 LEU 14 6.948 -3.306 4.670
123 H LYS 15 H LYS 15 8.833 -0.136 0.725
124 HA LYS 15 HA LYS 15 9.009 -2.838 -0.285
125 HB2 LYS 15 2HB LYS 15 9.424 -0.353 -1.260
126 HB3 LYS 15 1HB LYS 15 11.093 -0.811 -0.918
127 HG2 LYS 15 2HG LYS 15 11.124 -2.428 -2.536
128 HG3 LYS 15 1HG LYS 15 9.436 -2.866 -2.276
129 HD2 LYS 15 2HD LYS 15 8.821 -0.638 -3.348
130 HD3 LYS 15 1HD LYS 15 10.513 -0.503 -3.830
131 HE2 LYS 15 2HE LYS 15 9.030 -3.043 -4.462
132 HE3 LYS 15 1HE LYS 15 8.791 -1.616 -5.491
133 HZ1 LYS 15 3HZ LYS 15 11.197 -1.400 -5.679
134 HZ2 LYS 15 1HZ LYS 15 10.685 -2.909 -6.259
135 HZ3 LYS 15 2HZ LYS 15 11.414 -2.791 -4.729
136 H SER 16 H SER 16 10.990 -0.860 1.830
137 HA SER 16 HA SER 16 12.245 -2.929 3.261
138 HB2 SER 16 2HB SER 16 13.351 -2.384 0.574
139 HB3 SER 16 1HB SER 16 14.556 -2.397 1.858
140 HG SER 16 HG SER 16 12.635 -4.422 1.309
141 H PHE 17 H PHE 17 12.453 0.224 1.822
142 HA PHE 17 HA PHE 17 14.333 1.271 3.817
143 HB2 PHE 17 2HB PHE 17 13.615 3.444 2.467
144 HB3 PHE 17 1HB PHE 17 14.686 2.253 1.732
145 HD1 PHE 17 1HD PHE 17 10.983 2.767 2.206
146 HD2 PHE 17 2HD PHE 17 14.165 1.591 -0.431
147 HE1 PHE 17 1HE PHE 17 9.340 2.373 0.391
148 HE2 PHE 17 2HE PHE 17 12.522 1.201 -2.243
149 HZ PHE 17 HZ PHE 17 10.110 1.593 -1.834
150 HN1 NH2 18 2H PHE 17 11.069 1.627 5.670
151 HN2 NH2 18 1H PHE 17 11.959 0.305 5.085
Start of MODEL 8
1 H1 MET 1 1HT MET 1 -15.116 2.517 1.594
2 H2 MET 1 2HT MET 1 -13.820 3.096 2.525
3 H3 MET 1 3HT MET 1 -15.402 3.152 3.139
4 HA MET 1 HA MET 1 -14.364 1.331 4.211
5 HB2 MET 1 2HB MET 1 -15.866 -0.428 3.432
6 HB3 MET 1 1HB MET 1 -16.692 1.124 3.310
7 HG2 MET 1 2HG MET 1 -15.280 0.705 0.860
8 HG3 MET 1 1HG MET 1 -16.162 -0.776 1.228
9 HE1 MET 1 3HE MET 1 -16.606 1.207 -1.262
10 HE2 MET 1 1HE MET 1 -16.181 2.591 -0.245
11 HE3 MET 1 2HE MET 1 -17.762 2.516 -1.020
12 H ALA 2 H ALA 2 -13.426 1.746 0.905
13 HA ALA 2 HA ALA 2 -12.048 -0.775 0.530
14 HB1 ALA 2 1HB ALA 2 -11.516 1.916 -0.763
15 HB2 ALA 2 2HB ALA 2 -12.874 0.884 -1.214
16 HB3 ALA 2 3HB ALA 2 -11.220 0.322 -1.456
17 H THR 3 H THR 3 -9.870 -1.260 0.936
18 HA THR 3 HA THR 3 -8.271 0.840 2.366
19 HB THR 3 HB THR 3 -7.393 -1.136 3.687
20 HG1 THR 3 1HG THR 3 -9.607 -2.453 2.512
21 HG21 THR 3 3HG2 THR 3 -9.850 -1.527 4.721
22 HG22 THR 3 1HG2 THR 3 -10.181 -0.105 3.731
23 HG23 THR 3 2HG2 THR 3 -8.936 -0.039 4.978
24 H LEU 4 H LEU 4 -8.053 0.470 -0.422
25 HA LEU 4 HA LEU 4 -5.925 -1.394 -1.072
26 HB2 LEU 4 2HB LEU 4 -7.272 0.937 -2.459
27 HB3 LEU 4 1HB LEU 4 -6.001 -0.010 -3.232
28 HG LEU 4 HG LEU 4 -8.204 -1.561 -1.981
29 HD11 LEU 4 1HD1 LEU 4 -8.583 -0.006 -4.560
30 HD12 LEU 4 2HD1 LEU 4 -9.424 0.316 -3.044
31 HD13 LEU 4 3HD1 LEU 4 -9.701 -1.200 -3.900
32 HD21 LEU 4 3HD2 LEU 4 -6.888 -1.723 -4.709
33 HD22 LEU 4 1HD2 LEU 4 -7.830 -2.980 -3.908
34 HD23 LEU 4 2HD2 LEU 4 -6.254 -2.517 -3.267
35 H GLU 5 H GLU 5 -6.061 2.197 -0.845
36 HA GLU 5 HA GLU 5 -3.288 2.661 -1.236
37 HB2 GLU 5 2HB GLU 5 -5.655 4.051 -0.168
38 HB3 GLU 5 1HB GLU 5 -4.137 4.614 0.535
39 HG2 GLU 5 2HG GLU 5 -3.236 5.155 -1.616
40 HG3 GLU 5 1HG GLU 5 -4.541 4.309 -2.448
41 H LYS 6 H LYS 6 -5.114 1.873 1.697
42 HA LYS 6 HA LYS 6 -2.960 2.150 3.559
43 HB2 LYS 6 2HB LYS 6 -5.640 1.555 3.614
44 HB3 LYS 6 1HB LYS 6 -4.929 -0.017 3.982
45 HG2 LYS 6 2HG LYS 6 -3.453 1.293 5.674
46 HG3 LYS 6 1HG LYS 6 -4.656 2.571 5.502
47 HD2 LYS 6 2HD LYS 6 -5.704 -0.175 5.954
48 HD3 LYS 6 1HD LYS 6 -4.892 0.590 7.320
49 HE2 LYS 6 2HE LYS 6 -6.832 2.292 5.827
50 HE3 LYS 6 1HE LYS 6 -7.513 0.990 6.821
51 HZ1 LYS 6 3HZ LYS 6 -5.490 2.970 7.732
52 HZ2 LYS 6 1HZ LYS 6 -6.158 1.728 8.674
53 HZ3 LYS 6 2HZ LYS 6 -7.141 3.003 8.133
54 H LEU 7 H LEU 7 -3.524 -0.073 0.996
55 HA LEU 7 HA LEU 7 -1.670 -2.067 2.161
56 HB2 LEU 7 2HB LEU 7 -3.080 -3.583 1.207
57 HB3 LEU 7 1HB LEU 7 -4.175 -2.232 0.947
58 HG LEU 7 HG LEU 7 -2.844 -1.842 -1.239
59 HD11 LEU 7 1HD1 LEU 7 -2.214 -4.453 -1.872
60 HD12 LEU 7 2HD1 LEU 7 -1.652 -4.322 -0.206
61 HD13 LEU 7 3HD1 LEU 7 -1.045 -3.210 -1.432
62 HD21 LEU 7 3HD2 LEU 7 -4.575 -2.879 -2.298
63 HD22 LEU 7 1HD2 LEU 7 -5.163 -3.169 -0.661
64 HD23 LEU 7 2HD2 LEU 7 -4.259 -4.423 -1.508
65 H MET 8 H MET 8 -2.232 0.097 -0.569
66 HA MET 8 HA MET 8 -0.070 -0.780 -2.239
67 HB2 MET 8 2HB MET 8 -2.060 0.602 -2.888
68 HB3 MET 8 1HB MET 8 -1.363 1.951 -1.990
69 HG2 MET 8 2HG MET 8 -0.484 2.440 -4.057
70 HG3 MET 8 1HG MET 8 0.767 1.329 -3.500
71 HE1 MET 8 3HE MET 8 -2.745 0.959 -6.112
72 HE2 MET 8 1HE MET 8 -1.370 1.602 -7.020
73 HE3 MET 8 2HE MET 8 -1.855 2.349 -5.500
74 H LYS 9 H LYS 9 -0.306 1.723 0.285
75 HA LYS 9 HA LYS 9 2.161 3.027 0.003
76 HB2 LYS 9 2HB LYS 9 0.118 2.646 1.972
77 HB3 LYS 9 1HB LYS 9 1.676 2.477 2.778
78 HG2 LYS 9 2HG LYS 9 1.036 4.821 2.814
79 HG3 LYS 9 1HG LYS 9 2.402 4.625 1.716
80 HD2 LYS 9 2HD LYS 9 0.387 4.238 -0.032
81 HD3 LYS 9 1HD LYS 9 -0.432 5.301 1.112
82 HE2 LYS 9 2HE LYS 9 1.293 7.001 0.860
83 HE3 LYS 9 1HE LYS 9 2.257 5.917 -0.163
84 HZ1 LYS 9 3HZ LYS 9 -0.519 6.799 -0.753
85 HZ2 LYS 9 1HZ LYS 9 0.441 5.800 -1.731
86 HZ3 LYS 9 2HZ LYS 9 0.877 7.425 -1.492
87 H ALA 10 H ALA 10 1.524 -0.229 1.140
88 HA ALA 10 HA ALA 10 4.172 -0.682 2.269
89 HB1 ALA 10 1HB ALA 10 1.772 -1.761 2.665
90 HB2 ALA 10 2HB ALA 10 3.236 -2.720 2.878
91 HB3 ALA 10 3HB ALA 10 2.309 -2.848 1.383
92 H PHE 11 H PHE 11 2.751 -0.826 -0.882
93 HA PHE 11 HA PHE 11 4.794 -2.692 -1.924
94 HB2 PHE 11 2HB PHE 11 2.392 -1.247 -3.085
95 HB3 PHE 11 1HB PHE 11 3.404 -2.351 -4.013
96 HD1 PHE 11 2HD PHE 11 1.924 -2.427 -0.544
97 HD2 PHE 11 1HD PHE 11 2.378 -4.417 -4.321
98 HE1 PHE 11 2HE PHE 11 0.622 -4.334 0.320
99 HE2 PHE 11 1HE PHE 11 1.064 -6.332 -3.453
100 HZ PHE 11 HZ PHE 11 0.189 -6.298 -1.137
101 H GLU 12 H GLU 12 4.692 0.518 -1.183
102 HA GLU 12 HA GLU 12 6.686 1.189 -3.317
103 HB2 GLU 12 2HB GLU 12 4.012 2.180 -2.930
104 HB3 GLU 12 1HB GLU 12 5.153 3.496 -2.649
105 HG2 GLU 12 2HG GLU 12 5.870 3.523 -4.825
106 HG3 GLU 12 1HG GLU 12 5.702 1.776 -5.009
107 H SER 13 H SER 13 5.283 2.029 -0.154
108 HA SER 13 HA SER 13 7.611 3.687 0.530
109 HB2 SER 13 2HB SER 13 5.282 2.946 2.288
110 HB3 SER 13 1HB SER 13 6.261 4.408 2.341
111 HG SER 13 HG SER 13 4.268 3.634 0.509
112 H LEU 14 H LEU 14 6.474 0.456 1.076
113 HA LEU 14 HA LEU 14 7.785 -0.129 3.545
114 HB2 LEU 14 2HB LEU 14 6.014 -1.449 2.322
115 HB3 LEU 14 1HB LEU 14 7.270 -1.976 1.202
116 HG LEU 14 HG LEU 14 8.561 -2.862 3.165
117 HD11 LEU 14 1HD1 LEU 14 6.816 -3.253 5.167
118 HD12 LEU 14 2HD1 LEU 14 6.180 -1.725 4.555
119 HD13 LEU 14 3HD1 LEU 14 7.855 -1.828 5.098
120 HD21 LEU 14 3HD2 LEU 14 7.457 -4.600 2.109
121 HD22 LEU 14 1HD2 LEU 14 5.871 -3.857 2.318
122 HD23 LEU 14 2HD2 LEU 14 6.652 -4.663 3.677
123 H LYS 15 H LYS 15 9.126 0.536 0.454
124 HA LYS 15 HA LYS 15 11.460 -1.176 0.590
125 HB2 LYS 15 2HB LYS 15 10.209 0.622 -1.194
126 HB3 LYS 15 1HB LYS 15 11.816 1.284 -0.899
127 HG2 LYS 15 2HG LYS 15 12.688 -0.255 -2.287
128 HG3 LYS 15 1HG LYS 15 12.122 -1.529 -1.208
129 HD2 LYS 15 2HD LYS 15 10.214 -1.927 -2.450
130 HD3 LYS 15 1HD LYS 15 10.131 -0.271 -3.049
131 HE2 LYS 15 2HE LYS 15 11.614 -0.678 -4.785
132 HE3 LYS 15 1HE LYS 15 12.472 -1.947 -3.888
133 HZ1 LYS 15 3HZ LYS 15 10.403 -3.285 -4.015
134 HZ2 LYS 15 1HZ LYS 15 11.112 -3.001 -5.530
135 HZ3 LYS 15 2HZ LYS 15 9.744 -2.113 -5.053
136 H SER 16 H SER 16 11.286 2.377 0.804
137 HA SER 16 HA SER 16 12.484 2.831 3.297
138 HB2 SER 16 2HB SER 16 14.308 1.767 1.244
139 HB3 SER 16 1HB SER 16 14.896 3.241 2.006
140 HG SER 16 HG SER 16 13.918 0.969 3.402
141 H PHE 17 H PHE 17 11.947 3.768 0.029
142 HA PHE 17 HA PHE 17 13.075 6.325 -0.186
143 HB2 PHE 17 2HB PHE 17 10.260 5.806 -1.109
144 HB3 PHE 17 1HB PHE 17 11.583 6.588 -1.966
145 HD1 PHE 17 1HD PHE 17 13.786 4.740 -1.857
146 HD2 PHE 17 2HD PHE 17 9.593 3.904 -2.272
147 HE1 PHE 17 1HE PHE 17 14.324 2.579 -2.951
148 HE2 PHE 17 2HE PHE 17 10.131 1.745 -3.368
149 HZ PHE 17 HZ PHE 17 12.496 1.086 -3.712
150 HN1 NH2 18 2H PHE 17 11.358 8.546 1.952
151 HN2 NH2 18 1H PHE 17 12.714 8.236 0.979
Start of MODEL 9
1 H1 MET 1 1HT MET 1 -9.628 -5.852 1.254
2 H2 MET 1 2HT MET 1 -10.066 -7.452 1.624
3 H3 MET 1 3HT MET 1 -9.440 -6.437 2.835
4 HA MET 1 HA MET 1 -12.098 -6.284 1.521
5 HB2 MET 1 2HB MET 1 -10.884 -7.011 4.141
6 HB3 MET 1 1HB MET 1 -12.427 -6.159 4.201
7 HG2 MET 1 2HG MET 1 -12.287 -8.342 2.210
8 HG3 MET 1 1HG MET 1 -12.190 -8.864 3.891
9 HE1 MET 1 3HE MET 1 -14.092 -6.868 1.224
10 HE2 MET 1 1HE MET 1 -13.930 -5.650 2.495
11 HE3 MET 1 2HE MET 1 -15.522 -6.271 2.062
12 H ALA 2 H ALA 2 -9.659 -4.561 3.448
13 HA ALA 2 HA ALA 2 -10.961 -1.986 2.723
14 HB1 ALA 2 1HB ALA 2 -11.753 -3.055 4.976
15 HB2 ALA 2 2HB ALA 2 -11.302 -1.350 4.966
16 HB3 ALA 2 3HB ALA 2 -10.169 -2.558 5.574
17 H THR 3 H THR 3 -9.391 -0.334 4.320
18 HA THR 3 HA THR 3 -7.297 0.764 4.163
19 HB THR 3 HB THR 3 -5.520 -0.670 5.107
20 HG1 THR 3 1HG THR 3 -5.926 -2.544 3.942
21 HG21 THR 3 3HG2 THR 3 -6.530 -0.906 7.170
22 HG22 THR 3 1HG2 THR 3 -7.993 -1.617 6.489
23 HG23 THR 3 2HG2 THR 3 -7.722 0.123 6.374
24 H LEU 4 H LEU 4 -8.112 0.310 1.584
25 HA LEU 4 HA LEU 4 -6.388 -1.321 -0.013
26 HB2 LEU 4 2HB LEU 4 -8.102 1.126 -0.490
27 HB3 LEU 4 1HB LEU 4 -7.216 0.352 -1.804
28 HG LEU 4 HG LEU 4 -9.154 -1.102 0.017
29 HD11 LEU 4 1HD1 LEU 4 -9.918 0.768 -1.777
30 HD12 LEU 4 2HD1 LEU 4 -10.854 -0.694 -1.469
31 HD13 LEU 4 3HD1 LEU 4 -9.767 -0.620 -2.855
32 HD21 LEU 4 3HD2 LEU 4 -7.725 -2.729 -0.866
33 HD22 LEU 4 1HD2 LEU 4 -7.469 -1.834 -2.363
34 HD23 LEU 4 2HD2 LEU 4 -8.994 -2.673 -2.090
35 H GLU 5 H GLU 5 -6.310 2.227 0.557
36 HA GLU 5 HA GLU 5 -3.837 2.696 -0.766
37 HB2 GLU 5 2HB GLU 5 -5.536 4.387 0.024
38 HB3 GLU 5 1HB GLU 5 -4.978 4.102 1.673
39 HG2 GLU 5 2HG GLU 5 -2.656 4.564 0.109
40 HG3 GLU 5 1HG GLU 5 -3.824 5.805 -0.346
41 H LYS 6 H LYS 6 -4.583 1.635 2.511
42 HA LYS 6 HA LYS 6 -1.924 1.812 3.575
43 HB2 LYS 6 2HB LYS 6 -4.489 1.149 4.435
44 HB3 LYS 6 1HB LYS 6 -3.614 -0.377 4.559
45 HG2 LYS 6 2HG LYS 6 -1.818 0.806 5.834
46 HG3 LYS 6 1HG LYS 6 -2.802 2.270 5.796
47 HD2 LYS 6 2HD LYS 6 -4.665 0.868 6.856
48 HD3 LYS 6 1HD LYS 6 -3.431 -0.356 7.156
49 HE2 LYS 6 2HE LYS 6 -2.899 0.770 9.053
50 HE3 LYS 6 1HE LYS 6 -2.306 2.093 8.029
51 HZ1 LYS 6 3HZ LYS 6 -5.157 1.695 8.764
52 HZ2 LYS 6 1HZ LYS 6 -4.501 3.009 7.916
53 HZ3 LYS 6 2HZ LYS 6 -4.115 2.779 9.555
54 H LEU 7 H LEU 7 -3.354 -0.224 1.209
55 HA LEU 7 HA LEU 7 -1.371 -2.378 1.632
56 HB2 LEU 7 2HB LEU 7 -3.020 -3.725 0.801
57 HB3 LEU 7 1HB LEU 7 -4.071 -2.345 1.095
58 HG LEU 7 HG LEU 7 -3.318 -1.588 -1.295
59 HD11 LEU 7 1HD1 LEU 7 -1.870 -3.000 -2.294
60 HD12 LEU 7 2HD1 LEU 7 -3.192 -4.162 -2.398
61 HD13 LEU 7 3HD1 LEU 7 -2.082 -4.208 -1.028
62 HD21 LEU 7 3HD2 LEU 7 -5.021 -3.891 -1.760
63 HD22 LEU 7 1HD2 LEU 7 -5.438 -2.178 -1.793
64 HD23 LEU 7 2HD2 LEU 7 -5.485 -3.069 -0.271
65 H MET 8 H MET 8 -2.247 0.228 -0.531
66 HA MET 8 HA MET 8 -0.527 -0.615 -2.722
67 HB2 MET 8 2HB MET 8 -2.514 1.409 -2.088
68 HB3 MET 8 1HB MET 8 -1.135 2.126 -2.921
69 HG2 MET 8 2HG MET 8 -1.466 0.870 -4.844
70 HG3 MET 8 1HG MET 8 -2.266 -0.439 -3.976
71 HE1 MET 8 3HE MET 8 -2.780 0.601 -6.505
72 HE2 MET 8 1HE MET 8 -3.726 2.076 -6.746
73 HE3 MET 8 2HE MET 8 -4.539 0.522 -6.580
74 H LYS 9 H LYS 9 -0.437 2.293 -0.627
75 HA LYS 9 HA LYS 9 2.196 3.114 -1.223
76 HB2 LYS 9 2HB LYS 9 0.134 3.552 0.809
77 HB3 LYS 9 1HB LYS 9 1.762 3.744 1.460
78 HG2 LYS 9 2HG LYS 9 1.469 5.872 0.633
79 HG3 LYS 9 1HG LYS 9 2.088 5.102 -0.830
80 HD2 LYS 9 2HD LYS 9 -0.283 4.622 -1.504
81 HD3 LYS 9 1HD LYS 9 -0.821 5.569 -0.116
82 HE2 LYS 9 2HE LYS 9 0.906 7.344 -1.214
83 HE3 LYS 9 1HE LYS 9 0.369 6.495 -2.678
84 HZ1 LYS 9 3HZ LYS 9 -1.911 6.810 -2.023
85 HZ2 LYS 9 1HZ LYS 9 -1.140 8.319 -2.053
86 HZ3 LYS 9 2HZ LYS 9 -1.440 7.551 -0.568
87 H ALA 10 H ALA 10 1.095 0.467 0.777
88 HA ALA 10 HA ALA 10 3.410 0.110 2.413
89 HB1 ALA 10 1HB ALA 10 1.044 -1.437 1.492
90 HB2 ALA 10 2HB ALA 10 1.637 -1.163 3.131
91 HB3 ALA 10 3HB ALA 10 2.397 -2.386 2.111
92 H PHE 11 H PHE 11 2.518 -1.280 -0.762
93 HA PHE 11 HA PHE 11 4.902 -2.867 -1.058
94 HB2 PHE 11 2HB PHE 11 3.041 -1.675 -3.137
95 HB3 PHE 11 1HB PHE 11 4.074 -3.084 -3.352
96 HD1 PHE 11 1HD PHE 11 3.398 -3.916 -0.273
97 HD2 PHE 11 2HD PHE 11 1.112 -3.112 -3.824
98 HE1 PHE 11 1HE PHE 11 1.569 -5.359 0.573
99 HE2 PHE 11 2HE PHE 11 -0.713 -4.555 -2.974
100 HZ PHE 11 HZ PHE 11 -0.485 -5.679 -0.777
101 H GLU 12 H GLU 12 4.211 0.513 -1.533
102 HA GLU 12 HA GLU 12 6.625 0.907 -3.226
103 HB2 GLU 12 2HB GLU 12 4.056 2.148 -2.810
104 HB3 GLU 12 1HB GLU 12 5.325 3.344 -2.549
105 HG2 GLU 12 2HG GLU 12 5.356 1.521 -4.954
106 HG3 GLU 12 1HG GLU 12 4.467 3.044 -4.964
107 H SER 13 H SER 13 5.281 2.059 -0.118
108 HA SER 13 HA SER 13 7.811 3.355 0.588
109 HB2 SER 13 2HB SER 13 5.270 2.947 2.177
110 HB3 SER 13 1HB SER 13 6.528 4.135 2.502
111 HG SER 13 HG SER 13 4.485 4.159 0.664
112 H LEU 14 H LEU 14 6.022 0.461 1.473
113 HA LEU 14 HA LEU 14 8.018 -0.213 3.544
114 HB2 LEU 14 2HB LEU 14 5.224 -0.616 3.108
115 HB3 LEU 14 1HB LEU 14 5.988 -2.203 3.185
116 HG LEU 14 HG LEU 14 5.314 -1.473 5.431
117 HD11 LEU 14 1HD1 LEU 14 7.542 -2.711 4.928
118 HD12 LEU 14 2HD1 LEU 14 7.329 -2.000 6.528
119 HD13 LEU 14 3HD1 LEU 14 8.310 -1.172 5.319
120 HD21 LEU 14 3HD2 LEU 14 5.321 0.799 5.667
121 HD22 LEU 14 1HD2 LEU 14 6.650 1.013 4.529
122 HD23 LEU 14 2HD2 LEU 14 6.983 0.546 6.196
123 H LYS 15 H LYS 15 9.100 -0.263 0.965
124 HA LYS 15 HA LYS 15 8.955 -2.942 -0.188
125 HB2 LYS 15 2HB LYS 15 9.512 -0.542 -1.179
126 HB3 LYS 15 1HB LYS 15 11.158 -0.990 -0.728
127 HG2 LYS 15 2HG LYS 15 10.322 -3.288 -1.939
128 HG3 LYS 15 1HG LYS 15 9.426 -2.082 -2.864
129 HD2 LYS 15 2HD LYS 15 11.520 -0.853 -3.299
130 HD3 LYS 15 1HD LYS 15 12.419 -2.057 -2.376
131 HE2 LYS 15 2HE LYS 15 12.181 -3.693 -4.018
132 HE3 LYS 15 1HE LYS 15 10.681 -2.982 -4.648
133 HZ1 LYS 15 3HZ LYS 15 12.704 -2.559 -6.041
134 HZ2 LYS 15 1HZ LYS 15 13.311 -1.613 -4.771
135 HZ3 LYS 15 2HZ LYS 15 11.871 -1.161 -5.553
136 H SER 16 H SER 16 11.473 -1.097 1.528
137 HA SER 16 HA SER 16 12.416 -3.208 3.169
138 HB2 SER 16 2HB SER 16 13.233 -3.257 0.350
139 HB3 SER 16 1HB SER 16 14.599 -3.304 1.461
140 HG SER 16 HG SER 16 12.799 -5.222 0.862
141 H PHE 17 H PHE 17 12.755 -0.151 1.691
142 HA PHE 17 HA PHE 17 15.249 0.870 2.274
143 HB2 PHE 17 2HB PHE 17 12.864 2.434 3.195
144 HB3 PHE 17 1HB PHE 17 14.214 2.950 2.196
145 HD1 PHE 17 1HD PHE 17 14.384 1.844 -0.184
146 HD2 PHE 17 2HD PHE 17 10.816 1.923 2.203
147 HE1 PHE 17 1HE PHE 17 13.017 1.439 -2.214
148 HE2 PHE 17 2HE PHE 17 9.449 1.519 0.175
149 HZ PHE 17 HZ PHE 17 10.550 1.278 -2.034
150 HN1 NH2 18 2H PHE 17 15.800 0.438 5.750
151 HN2 NH2 18 1H PHE 17 16.359 0.153 4.174
Start of MODEL 10
1 H1 MET 1 1HT MET 1 -14.539 0.209 6.456
2 H2 MET 1 2HT MET 1 -14.303 0.991 7.945
3 H3 MET 1 3HT MET 1 -13.044 0.087 7.246
4 HA MET 1 HA MET 1 -14.210 2.498 5.956
5 HB2 MET 1 2HB MET 1 -13.168 2.702 8.325
6 HB3 MET 1 1HB MET 1 -11.638 2.334 7.530
7 HG2 MET 1 2HG MET 1 -11.904 4.248 6.041
8 HG3 MET 1 1HG MET 1 -13.498 4.587 6.717
9 HE1 MET 1 3HE MET 1 -9.903 5.328 6.716
10 HE2 MET 1 1HE MET 1 -9.955 6.717 7.810
11 HE3 MET 1 2HE MET 1 -11.067 6.624 6.448
12 H ALA 2 H ALA 2 -13.159 -0.305 5.109
13 HA ALA 2 HA ALA 2 -11.777 -1.171 3.400
14 HB1 ALA 2 1HB ALA 2 -11.439 1.620 2.374
15 HB2 ALA 2 2HB ALA 2 -13.077 0.974 2.483
16 HB3 ALA 2 3HB ALA 2 -11.868 0.151 1.496
17 H THR 3 H THR 3 -9.523 -0.670 2.259
18 HA THR 3 HA THR 3 -7.628 0.981 3.719
19 HB THR 3 HB THR 3 -8.027 -0.782 5.379
20 HG1 THR 3 1HG THR 3 -5.907 -1.394 5.619
21 HG21 THR 3 3HG2 THR 3 -7.288 -2.647 3.108
22 HG22 THR 3 1HG2 THR 3 -8.850 -2.542 3.921
23 HG23 THR 3 2HG2 THR 3 -7.441 -3.145 4.794
24 H LEU 4 H LEU 4 -8.235 0.676 0.973
25 HA LEU 4 HA LEU 4 -6.441 -1.127 -0.375
26 HB2 LEU 4 2HB LEU 4 -7.974 1.372 -1.114
27 HB3 LEU 4 1HB LEU 4 -6.978 0.519 -2.293
28 HG LEU 4 HG LEU 4 -8.647 -1.358 -0.847
29 HD11 LEU 4 1HD1 LEU 4 -10.779 -0.465 -2.066
30 HD12 LEU 4 2HD1 LEU 4 -9.950 1.091 -2.016
31 HD13 LEU 4 3HD1 LEU 4 -10.328 0.245 -0.516
32 HD21 LEU 4 3HD2 LEU 4 -9.239 -2.046 -3.097
33 HD22 LEU 4 1HD2 LEU 4 -7.523 -1.643 -3.083
34 HD23 LEU 4 2HD2 LEU 4 -8.689 -0.506 -3.758
35 H GLU 5 H GLU 5 -6.273 2.431 0.124
36 HA GLU 5 HA GLU 5 -3.665 2.788 -0.929
37 HB2 GLU 5 2HB GLU 5 -5.557 4.196 0.869
38 HB3 GLU 5 1HB GLU 5 -3.870 4.683 1.030
39 HG2 GLU 5 2HG GLU 5 -3.761 5.055 -1.422
40 HG3 GLU 5 1HG GLU 5 -5.469 4.630 -1.546
41 H LYS 6 H LYS 6 -4.759 1.793 2.273
42 HA LYS 6 HA LYS 6 -2.199 1.876 3.569
43 HB2 LYS 6 2HB LYS 6 -4.898 1.216 4.140
44 HB3 LYS 6 1HB LYS 6 -3.950 -0.219 4.531
45 HG2 LYS 6 2HG LYS 6 -3.663 0.889 6.518
46 HG3 LYS 6 1HG LYS 6 -2.356 1.665 5.622
47 HD2 LYS 6 2HD LYS 6 -3.864 3.509 4.997
48 HD3 LYS 6 1HD LYS 6 -5.182 2.735 5.876
49 HE2 LYS 6 2HE LYS 6 -4.439 4.121 7.568
50 HE3 LYS 6 1HE LYS 6 -3.294 2.791 7.831
51 HZ1 LYS 6 3HZ LYS 6 -1.759 3.842 6.296
52 HZ2 LYS 6 1HZ LYS 6 -2.133 4.906 7.562
53 HZ3 LYS 6 2HZ LYS 6 -2.849 5.119 6.037
54 H LEU 7 H LEU 7 -3.486 -0.129 1.103
55 HA LEU 7 HA LEU 7 -1.659 -2.365 1.749
56 HB2 LEU 7 2HB LEU 7 -3.280 -3.652 0.787
57 HB3 LEU 7 1HB LEU 7 -4.290 -2.222 0.960
58 HG LEU 7 HG LEU 7 -3.283 -1.546 -1.361
59 HD11 LEU 7 1HD1 LEU 7 -1.786 -3.769 -1.028
60 HD12 LEU 7 2HD1 LEU 7 -2.245 -3.160 -2.617
61 HD13 LEU 7 3HD1 LEU 7 -3.162 -4.472 -1.877
62 HD21 LEU 7 3HD2 LEU 7 -5.033 -3.770 -1.972
63 HD22 LEU 7 1HD2 LEU 7 -5.381 -2.042 -2.027
64 HD23 LEU 7 2HD2 LEU 7 -5.598 -2.937 -0.524
65 H MET 8 H MET 8 -2.198 0.231 -0.536
66 HA MET 8 HA MET 8 -0.268 -0.753 -2.497
67 HB2 MET 8 2HB MET 8 -2.368 0.617 -2.926
68 HB3 MET 8 1HB MET 8 -1.521 1.987 -2.208
69 HG2 MET 8 2HG MET 8 0.039 2.106 -3.943
70 HG3 MET 8 1HG MET 8 -0.212 0.425 -4.415
71 HE1 MET 8 3HE MET 8 -1.336 0.265 -6.999
72 HE2 MET 8 1HE MET 8 0.033 1.302 -6.575
73 HE3 MET 8 2HE MET 8 -1.258 1.918 -7.604
74 H LYS 9 H LYS 9 -0.421 1.972 -0.179
75 HA LYS 9 HA LYS 9 2.105 3.123 -0.617
76 HB2 LYS 9 2HB LYS 9 0.093 2.936 1.519
77 HB3 LYS 9 1HB LYS 9 1.721 3.246 2.124
78 HG2 LYS 9 2HG LYS 9 1.825 5.322 1.173
79 HG3 LYS 9 1HG LYS 9 0.911 4.827 -0.252
80 HD2 LYS 9 2HD LYS 9 -1.098 4.655 1.422
81 HD3 LYS 9 1HD LYS 9 -0.111 5.712 2.433
82 HE2 LYS 9 2HE LYS 9 -1.416 7.222 1.140
83 HE3 LYS 9 1HE LYS 9 0.130 7.164 0.270
84 HZ1 LYS 9 3HZ LYS 9 -2.124 5.321 -0.298
85 HZ2 LYS 9 1HZ LYS 9 -0.714 5.542 -1.215
86 HZ3 LYS 9 2HZ LYS 9 -1.883 6.773 -1.147
87 H ALA 10 H ALA 10 1.306 0.089 0.942
88 HA ALA 10 HA ALA 10 3.816 -0.292 2.316
89 HB1 ALA 10 1HB ALA 10 2.157 -1.649 3.161
90 HB2 ALA 10 2HB ALA 10 2.817 -2.779 1.979
91 HB3 ALA 10 3HB ALA 10 1.378 -1.837 1.590
92 H PHE 11 H PHE 11 2.583 -1.144 -0.904
93 HA PHE 11 HA PHE 11 4.866 -2.785 -1.625
94 HB2 PHE 11 2HB PHE 11 2.784 -1.357 -3.305
95 HB3 PHE 11 1HB PHE 11 3.788 -2.702 -3.833
96 HD1 PHE 11 1HD PHE 11 3.425 -3.828 -0.733
97 HD2 PHE 11 2HD PHE 11 0.862 -2.857 -4.045
98 HE1 PHE 11 1HE PHE 11 1.719 -5.409 0.120
99 HE2 PHE 11 2HE PHE 11 -0.841 -4.440 -3.188
100 HZ PHE 11 HZ PHE 11 -0.412 -5.717 -1.107
101 H GLU 12 H GLU 12 4.434 0.580 -1.311
102 HA GLU 12 HA GLU 12 6.686 1.114 -3.223
103 HB2 GLU 12 2HB GLU 12 4.063 2.252 -2.807
104 HB3 GLU 12 1HB GLU 12 5.292 3.488 -2.542
105 HG2 GLU 12 2HG GLU 12 6.133 3.308 -4.719
106 HG3 GLU 12 1HG GLU 12 5.482 1.683 -4.941
107 H SER 13 H SER 13 5.290 1.998 -0.061
108 HA SER 13 HA SER 13 7.708 3.501 0.662
109 HB2 SER 13 2HB SER 13 5.107 3.881 1.156
110 HB3 SER 13 1HB SER 13 5.499 2.914 2.575
111 HG SER 13 HG SER 13 6.232 5.483 1.902
112 H LEU 14 H LEU 14 6.341 0.349 1.230
113 HA LEU 14 HA LEU 14 8.054 -0.172 3.557
114 HB2 LEU 14 2HB LEU 14 5.606 -1.025 2.784
115 HB3 LEU 14 1HB LEU 14 6.595 -2.354 2.175
116 HG LEU 14 HG LEU 14 7.682 -2.449 4.469
117 HD11 LEU 14 1HD1 LEU 14 5.897 -1.462 6.200
118 HD12 LEU 14 2HD1 LEU 14 5.627 -0.322 4.882
119 HD13 LEU 14 3HD1 LEU 14 7.233 -0.484 5.593
120 HD21 LEU 14 3HD2 LEU 14 4.819 -3.104 3.869
121 HD22 LEU 14 1HD2 LEU 14 5.412 -3.359 5.511
122 HD23 LEU 14 2HD2 LEU 14 6.178 -4.191 4.157
123 H LYS 15 H LYS 15 9.030 0.247 0.592
124 HA LYS 15 HA LYS 15 10.172 -2.195 -0.343
125 HB2 LYS 15 2HB LYS 15 9.931 0.316 -1.259
126 HB3 LYS 15 1HB LYS 15 11.600 0.390 -0.692
127 HG2 LYS 15 2HG LYS 15 11.939 -0.395 -2.846
128 HG3 LYS 15 1HG LYS 15 11.788 -1.923 -1.978
129 HD2 LYS 15 2HD LYS 15 9.187 -1.484 -2.491
130 HD3 LYS 15 1HD LYS 15 9.886 -0.619 -3.860
131 HE2 LYS 15 2HE LYS 15 11.164 -2.630 -4.502
132 HE3 LYS 15 1HE LYS 15 10.481 -3.506 -3.118
133 HZ1 LYS 15 3HZ LYS 15 8.985 -2.296 -5.381
134 HZ2 LYS 15 1HZ LYS 15 8.248 -2.910 -3.983
135 HZ3 LYS 15 2HZ LYS 15 9.114 -3.949 -5.012
136 H SER 16 H SER 16 11.685 0.454 1.472
137 HA SER 16 HA SER 16 13.096 -1.093 3.374
138 HB2 SER 16 2HB SER 16 15.386 -0.658 2.012
139 HB3 SER 16 1HB SER 16 14.466 -2.148 1.832
140 HG SER 16 HG SER 16 14.816 -0.031 0.092
141 H PHE 17 H PHE 17 13.302 1.572 1.130
142 HA PHE 17 HA PHE 17 14.842 3.338 2.822
143 HB2 PHE 17 2HB PHE 17 13.869 5.051 1.122
144 HB3 PHE 17 1HB PHE 17 14.912 3.775 0.501
145 HD1 PHE 17 1HD PHE 17 11.260 4.287 1.302
146 HD2 PHE 17 2HD PHE 17 14.184 2.646 -1.384
147 HE1 PHE 17 1HE PHE 17 9.451 3.504 -0.198
148 HE2 PHE 17 2HE PHE 17 12.373 1.865 -2.883
149 HZ PHE 17 HZ PHE 17 10.007 2.298 -2.292
150 HN1 NH2 18 2H PHE 17 12.254 5.482 4.238
151 HN2 NH2 18 1H PHE 17 13.767 5.584 3.476
Start of MODEL 11
1 H1 MET 1 1HT MET 1 -16.043 -1.004 2.881
2 H2 MET 1 2HT MET 1 -14.963 0.105 3.579
3 H3 MET 1 3HT MET 1 -15.994 -0.815 4.565
4 HA MET 1 HA MET 1 -13.789 -1.757 4.674
5 HB2 MET 1 2HB MET 1 -16.110 -3.086 3.346
6 HB3 MET 1 1HB MET 1 -14.595 -3.988 3.409
7 HG2 MET 1 2HG MET 1 -14.605 -3.208 5.937
8 HG3 MET 1 1HG MET 1 -16.340 -3.056 5.661
9 HE1 MET 1 3HE MET 1 -16.579 -5.640 3.330
10 HE2 MET 1 1HE MET 1 -17.626 -4.673 4.377
11 HE3 MET 1 2HE MET 1 -17.545 -6.421 4.579
12 H ALA 2 H ALA 2 -12.151 -0.709 3.421
13 HA ALA 2 HA ALA 2 -11.714 -1.918 0.722
14 HB1 ALA 2 1HB ALA 2 -11.935 0.097 -0.290
15 HB2 ALA 2 2HB ALA 2 -10.909 0.883 0.911
16 HB3 ALA 2 3HB ALA 2 -12.634 0.676 1.222
17 H THR 3 H THR 3 -10.094 0.573 2.721
18 HA THR 3 HA THR 3 -7.847 0.721 3.442
19 HB THR 3 HB THR 3 -8.085 -2.294 3.573
20 HG1 THR 3 1HG THR 3 -9.713 -1.975 4.833
21 HG21 THR 3 3HG2 THR 3 -5.991 -0.749 4.231
22 HG22 THR 3 1HG2 THR 3 -6.415 -2.197 5.144
23 HG23 THR 3 2HG2 THR 3 -6.913 -0.609 5.727
24 H LEU 4 H LEU 4 -8.150 0.674 0.621
25 HA LEU 4 HA LEU 4 -6.280 -1.246 -0.526
26 HB2 LEU 4 2HB LEU 4 -8.008 1.025 -1.418
27 HB3 LEU 4 1HB LEU 4 -6.690 0.530 -2.482
28 HG LEU 4 HG LEU 4 -8.312 -1.679 -1.356
29 HD11 LEU 4 1HD1 LEU 4 -9.450 0.489 -3.086
30 HD12 LEU 4 2HD1 LEU 4 -10.227 -0.439 -1.803
31 HD13 LEU 4 3HD1 LEU 4 -9.944 -1.177 -3.379
32 HD21 LEU 4 3HD2 LEU 4 -7.873 -1.334 -4.267
33 HD22 LEU 4 1HD2 LEU 4 -7.587 -2.743 -3.245
34 HD23 LEU 4 2HD2 LEU 4 -6.406 -1.434 -3.291
35 H GLU 5 H GLU 5 -6.268 2.324 -0.107
36 HA GLU 5 HA GLU 5 -3.614 2.768 -0.989
37 HB2 GLU 5 2HB GLU 5 -5.675 4.120 0.643
38 HB3 GLU 5 1HB GLU 5 -4.025 4.648 0.975
39 HG2 GLU 5 2HG GLU 5 -3.662 5.255 -1.315
40 HG3 GLU 5 1HG GLU 5 -5.152 4.463 -1.826
41 H LYS 6 H LYS 6 -4.862 1.827 2.181
42 HA LYS 6 HA LYS 6 -2.378 1.975 3.607
43 HB2 LYS 6 2HB LYS 6 -5.103 1.187 4.006
44 HB3 LYS 6 1HB LYS 6 -4.074 -0.126 4.577
45 HG2 LYS 6 2HG LYS 6 -2.838 1.397 6.012
46 HG3 LYS 6 1HG LYS 6 -3.718 2.781 5.362
47 HD2 LYS 6 2HD LYS 6 -5.029 2.436 7.210
48 HD3 LYS 6 1HD LYS 6 -5.806 1.258 6.152
49 HE2 LYS 6 2HE LYS 6 -5.009 -0.514 7.353
50 HE3 LYS 6 1HE LYS 6 -3.416 0.239 7.571
51 HZ1 LYS 6 3HZ LYS 6 -4.821 0.091 9.635
52 HZ2 LYS 6 1HZ LYS 6 -5.865 1.222 8.925
53 HZ3 LYS 6 2HZ LYS 6 -4.254 1.647 9.254
54 H LEU 7 H LEU 7 -3.476 -0.111 1.113
55 HA LEU 7 HA LEU 7 -1.601 -2.262 1.906
56 HB2 LEU 7 2HB LEU 7 -3.177 -3.648 1.018
57 HB3 LEU 7 1HB LEU 7 -4.231 -2.241 1.060
58 HG LEU 7 HG LEU 7 -3.211 -1.695 -1.273
59 HD11 LEU 7 1HD1 LEU 7 -2.048 -3.327 -2.393
60 HD12 LEU 7 2HD1 LEU 7 -2.900 -4.638 -1.577
61 HD13 LEU 7 3HD1 LEU 7 -1.590 -3.791 -0.753
62 HD21 LEU 7 3HD2 LEU 7 -4.822 -4.111 -1.652
63 HD22 LEU 7 1HD2 LEU 7 -5.206 -2.437 -2.049
64 HD23 LEU 7 2HD2 LEU 7 -5.489 -3.043 -0.418
65 H MET 8 H MET 8 -2.241 0.177 -0.534
66 HA MET 8 HA MET 8 -0.294 -0.811 -2.454
67 HB2 MET 8 2HB MET 8 -2.400 1.089 -2.293
68 HB3 MET 8 1HB MET 8 -0.944 1.985 -2.727
69 HG2 MET 8 2HG MET 8 -0.536 0.145 -4.477
70 HG3 MET 8 1HG MET 8 -2.207 -0.340 -4.184
71 HE1 MET 8 3HE MET 8 -1.078 1.010 -7.265
72 HE2 MET 8 1HE MET 8 -2.827 1.206 -7.440
73 HE3 MET 8 2HE MET 8 -2.174 -0.184 -6.575
74 H LYS 9 H LYS 9 -0.395 1.961 -0.185
75 HA LYS 9 HA LYS 9 2.140 3.074 -0.656
76 HB2 LYS 9 2HB LYS 9 0.160 2.915 1.521
77 HB3 LYS 9 1HB LYS 9 1.799 3.251 2.079
78 HG2 LYS 9 2HG LYS 9 1.308 5.409 1.564
79 HG3 LYS 9 1HG LYS 9 1.613 4.910 -0.100
80 HD2 LYS 9 2HD LYS 9 -0.854 4.233 -0.195
81 HD3 LYS 9 1HD LYS 9 -1.049 5.119 1.318
82 HE2 LYS 9 2HE LYS 9 0.113 6.327 -1.217
83 HE3 LYS 9 1HE LYS 9 -1.566 6.537 -0.684
84 HZ1 LYS 9 3HZ LYS 9 -0.334 8.341 0.211
85 HZ2 LYS 9 1HZ LYS 9 0.901 7.320 0.768
86 HZ3 LYS 9 2HZ LYS 9 -0.633 7.274 1.499
87 H ALA 10 H ALA 10 1.314 0.089 0.999
88 HA ALA 10 HA ALA 10 3.821 -0.314 2.346
89 HB1 ALA 10 1HB ALA 10 2.229 -2.632 1.387
90 HB2 ALA 10 2HB ALA 10 1.356 -1.449 2.361
91 HB3 ALA 10 3HB ALA 10 2.783 -2.252 3.018
92 H PHE 11 H PHE 11 2.603 -1.150 -0.882
93 HA PHE 11 HA PHE 11 4.919 -2.762 -1.601
94 HB2 PHE 11 2HB PHE 11 2.782 -1.400 -3.271
95 HB3 PHE 11 1HB PHE 11 3.824 -2.713 -3.806
96 HD1 PHE 11 1HD PHE 11 3.511 -3.840 -0.695
97 HD2 PHE 11 2HD PHE 11 0.912 -2.969 -4.007
98 HE1 PHE 11 1HE PHE 11 1.859 -5.474 0.166
99 HE2 PHE 11 2HE PHE 11 -0.735 -4.604 -3.142
100 HZ PHE 11 HZ PHE 11 -0.262 -5.858 -1.056
101 H GLU 12 H GLU 12 4.390 0.595 -1.312
102 HA GLU 12 HA GLU 12 6.562 1.193 -3.293
103 HB2 GLU 12 2HB GLU 12 3.962 2.298 -2.703
104 HB3 GLU 12 1HB GLU 12 5.193 3.536 -2.461
105 HG2 GLU 12 2HG GLU 12 6.116 2.575 -4.764
106 HG3 GLU 12 1HG GLU 12 4.434 2.079 -4.961
107 H SER 13 H SER 13 5.350 2.012 -0.032
108 HA SER 13 HA SER 13 7.860 3.432 0.570
109 HB2 SER 13 2HB SER 13 5.099 3.400 1.474
110 HB3 SER 13 1HB SER 13 6.219 3.367 2.832
111 HG SER 13 HG SER 13 6.348 5.175 0.643
112 H LEU 14 H LEU 14 6.329 0.375 1.255
113 HA LEU 14 HA LEU 14 8.147 -0.213 3.489
114 HB2 LEU 14 2HB LEU 14 5.582 -0.907 2.841
115 HB3 LEU 14 1HB LEU 14 6.467 -2.346 2.335
116 HG LEU 14 HG LEU 14 7.650 -1.916 4.724
117 HD11 LEU 14 1HD1 LEU 14 4.837 -1.334 5.493
118 HD12 LEU 14 2HD1 LEU 14 5.766 0.015 4.842
119 HD13 LEU 14 3HD1 LEU 14 6.341 -0.844 6.272
120 HD21 LEU 14 3HD2 LEU 14 4.991 -3.261 4.856
121 HD22 LEU 14 1HD2 LEU 14 6.575 -3.853 5.358
122 HD23 LEU 14 2HD2 LEU 14 6.132 -3.858 3.651
123 H LYS 15 H LYS 15 9.069 0.120 0.565
124 HA LYS 15 HA LYS 15 9.855 -2.402 -0.511
125 HB2 LYS 15 2HB LYS 15 10.030 0.273 -1.163
126 HB3 LYS 15 1HB LYS 15 11.715 -0.158 -0.867
127 HG2 LYS 15 2HG LYS 15 11.580 -0.792 -3.076
128 HG3 LYS 15 1HG LYS 15 11.019 -2.290 -2.332
129 HD2 LYS 15 2HD LYS 15 8.657 -1.331 -2.503
130 HD3 LYS 15 1HD LYS 15 9.343 -0.081 -3.541
131 HE2 LYS 15 2HE LYS 15 9.671 -1.534 -5.293
132 HE3 LYS 15 1HE LYS 15 10.063 -2.893 -4.220
133 HZ1 LYS 15 3HZ LYS 15 7.912 -3.306 -5.115
134 HZ2 LYS 15 1HZ LYS 15 7.381 -1.736 -4.751
135 HZ3 LYS 15 2HZ LYS 15 7.693 -2.838 -3.496
136 H SER 16 H SER 16 11.742 -0.074 1.402
137 HA SER 16 HA SER 16 12.955 -1.823 3.237
138 HB2 SER 16 2HB SER 16 13.992 -1.971 0.480
139 HB3 SER 16 1HB SER 16 15.243 -1.739 1.698
140 HG SER 16 HG SER 16 14.698 -3.617 2.631
141 H PHE 17 H PHE 17 12.909 1.071 1.418
142 HA PHE 17 HA PHE 17 15.194 2.502 2.150
143 HB2 PHE 17 2HB PHE 17 12.462 3.768 2.256
144 HB3 PHE 17 1HB PHE 17 13.938 4.383 1.524
145 HD1 PHE 17 1HD PHE 17 14.876 2.238 -0.178
146 HD2 PHE 17 2HD PHE 17 10.846 3.521 0.580
147 HE1 PHE 17 1HE PHE 17 14.164 1.294 -2.359
148 HE2 PHE 17 2HE PHE 17 10.139 2.581 -1.603
149 HZ PHE 17 HZ PHE 17 11.798 1.474 -3.075
150 HN1 NH2 18 2H PHE 17 12.825 2.805 5.524
151 HN2 NH2 18 1H PHE 17 12.108 2.392 4.042
Start of MODEL 12
1 H1 MET 1 1HT MET 1 -15.110 -0.882 6.140
2 H2 MET 1 2HT MET 1 -15.363 0.708 5.599
3 H3 MET 1 3HT MET 1 -15.575 0.322 7.240
4 HA MET 1 HA MET 1 -13.485 1.418 7.087
5 HB2 MET 1 2HB MET 1 -13.969 -1.130 8.058
6 HB3 MET 1 1HB MET 1 -12.496 -1.352 7.115
7 HG2 MET 1 2HG MET 1 -11.251 0.042 8.468
8 HG3 MET 1 1HG MET 1 -12.642 1.034 8.904
9 HE1 MET 1 3HE MET 1 -10.559 0.439 10.665
10 HE2 MET 1 1HE MET 1 -10.154 -1.283 10.669
11 HE3 MET 1 2HE MET 1 -10.941 -0.556 12.068
12 H ALA 2 H ALA 2 -12.223 2.261 5.481
13 HA ALA 2 HA ALA 2 -11.708 0.646 3.030
14 HB1 ALA 2 1HB ALA 2 -11.718 2.680 1.977
15 HB2 ALA 2 2HB ALA 2 -10.793 3.455 3.263
16 HB3 ALA 2 3HB ALA 2 -12.532 3.217 3.447
17 H THR 3 H THR 3 -9.749 -0.364 2.858
18 HA THR 3 HA THR 3 -7.368 0.902 4.155
19 HB THR 3 HB THR 3 -8.248 -0.855 5.625
20 HG1 THR 3 1HG THR 3 -6.017 -1.841 4.186
21 HG21 THR 3 3HG2 THR 3 -7.916 -3.258 4.380
22 HG22 THR 3 1HG2 THR 3 -8.506 -2.272 3.042
23 HG23 THR 3 2HG2 THR 3 -9.465 -2.426 4.513
24 H LEU 4 H LEU 4 -8.076 1.039 1.401
25 HA LEU 4 HA LEU 4 -6.577 -1.010 -0.050
26 HB2 LEU 4 2HB LEU 4 -8.183 1.453 -0.669
27 HB3 LEU 4 1HB LEU 4 -7.141 0.779 -1.920
28 HG LEU 4 HG LEU 4 -9.440 -0.124 -2.072
29 HD11 LEU 4 1HD1 LEU 4 -7.315 -1.492 -2.584
30 HD12 LEU 4 2HD1 LEU 4 -8.816 -2.390 -2.363
31 HD13 LEU 4 3HD1 LEU 4 -7.631 -2.319 -1.060
32 HD21 LEU 4 3HD2 LEU 4 -9.756 0.052 0.485
33 HD22 LEU 4 1HD2 LEU 4 -8.926 -1.502 0.567
34 HD23 LEU 4 2HD2 LEU 4 -10.447 -1.360 -0.316
35 H GLU 5 H GLU 5 -6.242 2.535 0.422
36 HA GLU 5 HA GLU 5 -3.708 2.807 -0.823
37 HB2 GLU 5 2HB GLU 5 -5.561 4.382 0.573
38 HB3 GLU 5 1HB GLU 5 -4.086 4.497 1.532
39 HG2 GLU 5 2HG GLU 5 -2.999 5.699 -0.059
40 HG3 GLU 5 1HG GLU 5 -3.642 4.714 -1.374
41 H LYS 6 H LYS 6 -4.599 1.818 2.445
42 HA LYS 6 HA LYS 6 -1.963 1.807 3.570
43 HB2 LYS 6 2HB LYS 6 -4.541 1.381 4.412
44 HB3 LYS 6 1HB LYS 6 -3.895 -0.261 4.432
45 HG2 LYS 6 2HG LYS 6 -2.337 0.219 6.071
46 HG3 LYS 6 1HG LYS 6 -2.222 1.918 5.611
47 HD2 LYS 6 2HD LYS 6 -3.382 1.822 7.725
48 HD3 LYS 6 1HD LYS 6 -4.571 2.227 6.486
49 HE2 LYS 6 2HE LYS 6 -5.770 0.483 7.346
50 HE3 LYS 6 1HE LYS 6 -4.611 -0.550 6.486
51 HZ1 LYS 6 3HZ LYS 6 -4.207 0.540 9.222
52 HZ2 LYS 6 1HZ LYS 6 -3.167 -0.515 8.396
53 HZ3 LYS 6 2HZ LYS 6 -4.706 -1.048 8.882
54 H LEU 7 H LEU 7 -3.464 -0.129 1.159
55 HA LEU 7 HA LEU 7 -1.650 -2.414 1.621
56 HB2 LEU 7 2HB LEU 7 -3.343 -3.624 0.676
57 HB3 LEU 7 1HB LEU 7 -4.309 -2.180 0.959
58 HG LEU 7 HG LEU 7 -3.361 -1.433 -1.377
59 HD11 LEU 7 1HD1 LEU 7 -3.409 -4.359 -1.961
60 HD12 LEU 7 2HD1 LEU 7 -1.945 -3.700 -1.231
61 HD13 LEU 7 3HD1 LEU 7 -2.523 -3.067 -2.772
62 HD21 LEU 7 3HD2 LEU 7 -5.233 -3.284 -2.258
63 HD22 LEU 7 1HD2 LEU 7 -5.598 -1.681 -1.623
64 HD23 LEU 7 2HD2 LEU 7 -5.640 -3.083 -0.554
65 H MET 8 H MET 8 -2.227 0.277 -0.543
66 HA MET 8 HA MET 8 -0.418 -0.670 -2.628
67 HB2 MET 8 2HB MET 8 -2.464 0.756 -2.962
68 HB3 MET 8 1HB MET 8 -1.624 2.065 -2.127
69 HG2 MET 8 2HG MET 8 -0.179 2.441 -3.876
70 HG3 MET 8 1HG MET 8 -0.179 0.751 -4.377
71 HE1 MET 8 3HE MET 8 -2.663 3.652 -3.748
72 HE2 MET 8 1HE MET 8 -3.191 4.044 -5.390
73 HE3 MET 8 2HE MET 8 -1.503 4.252 -4.931
74 H LYS 9 H LYS 9 -0.388 2.095 -0.343
75 HA LYS 9 HA LYS 9 2.218 3.047 -0.810
76 HB2 LYS 9 2HB LYS 9 0.203 3.055 1.353
77 HB3 LYS 9 1HB LYS 9 1.852 3.364 1.895
78 HG2 LYS 9 2HG LYS 9 1.839 5.437 1.006
79 HG3 LYS 9 1HG LYS 9 1.265 4.830 -0.547
80 HD2 LYS 9 2HD LYS 9 -1.027 4.898 0.182
81 HD3 LYS 9 1HD LYS 9 -0.547 5.225 1.848
82 HE2 LYS 9 2HE LYS 9 0.544 7.170 -0.082
83 HE3 LYS 9 1HE LYS 9 -1.229 7.177 0.027
84 HZ1 LYS 9 3HZ LYS 9 0.693 7.352 2.287
85 HZ2 LYS 9 1HZ LYS 9 -0.981 7.163 2.474
86 HZ3 LYS 9 2HZ LYS 9 -0.363 8.572 1.755
87 H ALA 10 H ALA 10 1.173 0.179 0.925
88 HA ALA 10 HA ALA 10 3.538 -0.370 2.416
89 HB1 ALA 10 1HB ALA 10 2.615 -2.754 2.201
90 HB2 ALA 10 2HB ALA 10 1.358 -2.061 1.175
91 HB3 ALA 10 3HB ALA 10 1.504 -1.551 2.857
92 H PHE 11 H PHE 11 2.592 -1.197 -0.919
93 HA PHE 11 HA PHE 11 5.018 -2.719 -1.462
94 HB2 PHE 11 2HB PHE 11 3.031 -1.470 -3.378
95 HB3 PHE 11 1HB PHE 11 4.039 -2.885 -3.661
96 HD1 PHE 11 1HD PHE 11 3.515 -3.951 -0.699
97 HD2 PHE 11 2HD PHE 11 0.991 -2.700 -3.942
98 HE1 PHE 11 1HE PHE 11 1.688 -5.392 0.163
99 HE2 PHE 11 2HE PHE 11 -0.831 -4.140 -3.081
100 HZ PHE 11 HZ PHE 11 -0.483 -5.487 -1.028
101 H GLU 12 H GLU 12 4.179 0.628 -1.414
102 HA GLU 12 HA GLU 12 6.322 1.373 -3.336
103 HB2 GLU 12 2HB GLU 12 3.771 2.322 -2.696
104 HB3 GLU 12 1HB GLU 12 4.861 3.520 -1.999
105 HG2 GLU 12 2HG GLU 12 5.860 4.002 -4.081
106 HG3 GLU 12 1HG GLU 12 5.265 2.510 -4.811
107 H SER 13 H SER 13 5.385 1.997 0.071
108 HA SER 13 HA SER 13 8.130 3.036 0.534
109 HB2 SER 13 2HB SER 13 5.630 4.083 1.068
110 HB3 SER 13 1HB SER 13 6.112 3.418 2.626
111 HG SER 13 HG SER 13 7.934 4.673 2.582
112 H LEU 14 H LEU 14 5.985 0.446 1.339
113 HA LEU 14 HA LEU 14 7.735 -0.361 3.600
114 HB2 LEU 14 2HB LEU 14 5.093 -0.008 3.600
115 HB3 LEU 14 1HB LEU 14 5.118 -1.665 2.992
116 HG LEU 14 HG LEU 14 6.736 -2.142 4.960
117 HD11 LEU 14 1HD1 LEU 14 5.338 0.203 6.223
118 HD12 LEU 14 2HD1 LEU 14 6.857 0.445 5.359
119 HD13 LEU 14 3HD1 LEU 14 6.797 -0.635 6.752
120 HD21 LEU 14 3HD2 LEU 14 4.095 -2.540 4.645
121 HD22 LEU 14 1HD2 LEU 14 4.040 -1.439 6.021
122 HD23 LEU 14 2HD2 LEU 14 4.932 -2.955 6.140
123 H LYS 15 H LYS 15 8.310 -0.779 0.677
124 HA LYS 15 HA LYS 15 7.854 -3.585 0.072
125 HB2 LYS 15 2HB LYS 15 8.323 -1.509 -1.444
126 HB3 LYS 15 1HB LYS 15 10.018 -1.847 -1.092
127 HG2 LYS 15 2HG LYS 15 8.357 -4.175 -1.903
128 HG3 LYS 15 1HG LYS 15 8.703 -2.986 -3.159
129 HD2 LYS 15 2HD LYS 15 11.161 -3.146 -2.285
130 HD3 LYS 15 1HD LYS 15 10.628 -4.672 -1.579
131 HE2 LYS 15 2HE LYS 15 10.143 -4.017 -4.497
132 HE3 LYS 15 1HE LYS 15 11.620 -4.831 -3.942
133 HZ1 LYS 15 3HZ LYS 15 9.820 -6.405 -4.505
134 HZ2 LYS 15 1HZ LYS 15 8.859 -5.717 -3.288
135 HZ3 LYS 15 2HZ LYS 15 10.303 -6.514 -2.880
136 H SER 16 H SER 16 10.726 -1.720 1.039
137 HA SER 16 HA SER 16 11.794 -3.586 2.872
138 HB2 SER 16 2HB SER 16 12.176 -4.182 0.006
139 HB3 SER 16 1HB SER 16 13.665 -4.213 0.948
140 HG SER 16 HG SER 16 12.119 -6.168 0.785
141 H PHE 17 H PHE 17 12.357 -1.202 0.394
142 HA PHE 17 HA PHE 17 14.960 -0.341 1.328
143 HB2 PHE 17 2HB PHE 17 14.188 1.735 -0.125
144 HB3 PHE 17 1HB PHE 17 14.568 0.203 -0.901
145 HD1 PHE 17 2HD PHE 17 11.558 1.550 0.932
146 HD2 PHE 17 1HD PHE 17 13.109 -0.280 -2.632
147 HE1 PHE 17 2HE PHE 17 9.269 1.434 -0.008
148 HE2 PHE 17 1HE PHE 17 10.818 -0.395 -3.570
149 HZ PHE 17 HZ PHE 17 8.898 0.461 -2.258
150 HN1 NH2 18 2H PHE 17 13.210 1.203 4.206
151 HN2 NH2 18 1H PHE 17 13.632 -0.361 3.702
Start of MODEL 13
1 H1 MET 1 1HT MET 1 -9.658 -3.233 6.410
2 H2 MET 1 2HT MET 1 -10.782 -3.588 7.633
3 H3 MET 1 3HT MET 1 -10.561 -1.984 7.119
4 HA MET 1 HA MET 1 -11.673 -4.188 5.452
5 HB2 MET 1 2HB MET 1 -12.924 -3.189 7.509
6 HB3 MET 1 1HB MET 1 -13.071 -1.736 6.519
7 HG2 MET 1 2HG MET 1 -13.813 -4.367 5.299
8 HG3 MET 1 1HG MET 1 -14.937 -3.625 6.439
9 HE1 MET 1 3HE MET 1 -15.308 -4.526 3.805
10 HE2 MET 1 1HE MET 1 -14.813 -3.553 2.412
11 HE3 MET 1 2HE MET 1 -16.406 -3.326 3.129
12 H ALA 2 H ALA 2 -11.561 -0.611 5.757
13 HA ALA 2 HA ALA 2 -11.386 -0.426 2.783
14 HB1 ALA 2 1HB ALA 2 -11.829 1.769 4.822
15 HB2 ALA 2 2HB ALA 2 -13.142 0.753 4.226
16 HB3 ALA 2 3HB ALA 2 -12.250 1.787 3.110
17 H THR 3 H THR 3 -8.995 -1.280 3.857
18 HA THR 3 HA THR 3 -7.294 1.169 4.131
19 HB THR 3 HB THR 3 -5.640 -0.671 4.902
20 HG1 THR 3 1HG THR 3 -6.827 -2.545 5.643
21 HG21 THR 3 3HG2 THR 3 -6.508 0.690 6.604
22 HG22 THR 3 1HG2 THR 3 -7.002 -0.926 7.111
23 HG23 THR 3 2HG2 THR 3 -8.162 0.146 6.325
24 H LEU 4 H LEU 4 -8.213 0.579 1.525
25 HA LEU 4 HA LEU 4 -6.527 -1.108 -0.009
26 HB2 LEU 4 2HB LEU 4 -7.347 0.360 -1.875
27 HB3 LEU 4 1HB LEU 4 -8.630 -0.213 -0.814
28 HG LEU 4 HG LEU 4 -7.978 2.113 0.430
29 HD11 LEU 4 1HD1 LEU 4 -6.430 2.378 -1.743
30 HD12 LEU 4 2HD1 LEU 4 -7.242 3.760 -1.008
31 HD13 LEU 4 3HD1 LEU 4 -7.941 2.979 -2.426
32 HD21 LEU 4 3HD2 LEU 4 -9.975 1.320 -1.639
33 HD22 LEU 4 1HD2 LEU 4 -9.867 3.034 -1.237
34 HD23 LEU 4 2HD2 LEU 4 -10.231 1.853 0.022
35 H GLU 5 H GLU 5 -6.241 2.399 0.654
36 HA GLU 5 HA GLU 5 -3.798 2.768 -0.780
37 HB2 GLU 5 2HB GLU 5 -5.623 4.320 0.594
38 HB3 GLU 5 1HB GLU 5 -4.210 4.396 1.647
39 HG2 GLU 5 2HG GLU 5 -2.943 5.526 0.097
40 HG3 GLU 5 1HG GLU 5 -3.732 4.743 -1.272
41 H LYS 6 H LYS 6 -4.519 1.737 2.511
42 HA LYS 6 HA LYS 6 -1.831 1.778 3.511
43 HB2 LYS 6 2HB LYS 6 -4.381 1.279 4.454
44 HB3 LYS 6 1HB LYS 6 -3.650 -0.325 4.493
45 HG2 LYS 6 2HG LYS 6 -1.676 1.423 5.490
46 HG3 LYS 6 1HG LYS 6 -3.184 1.933 6.250
47 HD2 LYS 6 2HD LYS 6 -2.238 -0.944 6.160
48 HD3 LYS 6 1HD LYS 6 -1.953 0.138 7.522
49 HE2 LYS 6 2HE LYS 6 -4.541 0.530 7.445
50 HE3 LYS 6 1HE LYS 6 -4.565 -0.991 6.531
51 HZ1 LYS 6 3HZ LYS 6 -4.686 -1.538 8.837
52 HZ2 LYS 6 1HZ LYS 6 -3.374 -0.531 9.212
53 HZ3 LYS 6 2HZ LYS 6 -3.127 -1.943 8.301
54 H LEU 7 H LEU 7 -3.425 -0.184 1.177
55 HA LEU 7 HA LEU 7 -1.567 -2.451 1.558
56 HB2 LEU 7 2HB LEU 7 -3.267 -3.671 0.640
57 HB3 LEU 7 1HB LEU 7 -4.242 -2.244 0.975
58 HG LEU 7 HG LEU 7 -3.370 -1.449 -1.378
59 HD11 LEU 7 1HD1 LEU 7 -2.200 -4.026 -1.188
60 HD12 LEU 7 2HD1 LEU 7 -2.208 -2.951 -2.586
61 HD13 LEU 7 3HD1 LEU 7 -3.489 -4.146 -2.386
62 HD21 LEU 7 3HD2 LEU 7 -5.257 -3.370 -2.176
63 HD22 LEU 7 1HD2 LEU 7 -5.595 -1.722 -1.649
64 HD23 LEU 7 2HD2 LEU 7 -5.632 -3.045 -0.484
65 H MET 8 H MET 8 -2.151 0.297 -0.501
66 HA MET 8 HA MET 8 -0.394 -0.649 -2.651
67 HB2 MET 8 2HB MET 8 -2.571 0.992 -2.494
68 HB3 MET 8 1HB MET 8 -1.264 2.177 -2.497
69 HG2 MET 8 2HG MET 8 -0.574 1.620 -4.628
70 HG3 MET 8 1HG MET 8 -1.114 -0.053 -4.479
71 HE1 MET 8 3HE MET 8 -1.473 1.926 -6.960
72 HE2 MET 8 1HE MET 8 -1.706 3.319 -5.895
73 HE3 MET 8 2HE MET 8 -2.973 2.848 -7.025
74 H LYS 9 H LYS 9 -0.439 2.174 -0.449
75 HA LYS 9 HA LYS 9 2.157 3.154 -0.940
76 HB2 LYS 9 2HB LYS 9 0.821 4.518 0.384
77 HB3 LYS 9 1HB LYS 9 0.177 3.163 1.306
78 HG2 LYS 9 2HG LYS 9 3.088 3.781 1.592
79 HG3 LYS 9 1HG LYS 9 1.935 4.861 2.376
80 HD2 LYS 9 2HD LYS 9 1.062 2.196 2.880
81 HD3 LYS 9 1HD LYS 9 2.792 2.254 3.224
82 HE2 LYS 9 2HE LYS 9 1.975 4.595 4.379
83 HE3 LYS 9 1HE LYS 9 0.557 3.563 4.653
84 HZ1 LYS 9 3HZ LYS 9 3.381 2.893 5.290
85 HZ2 LYS 9 1HZ LYS 9 2.084 1.811 5.426
86 HZ3 LYS 9 2HZ LYS 9 2.140 3.195 6.409
87 H ALA 10 H ALA 10 1.141 0.325 0.860
88 HA ALA 10 HA ALA 10 3.532 -0.084 2.395
89 HB1 ALA 10 1HB ALA 10 1.925 -2.387 1.410
90 HB2 ALA 10 2HB ALA 10 1.049 -1.143 2.303
91 HB3 ALA 10 3HB ALA 10 2.405 -1.980 3.057
92 H PHE 11 H PHE 11 2.498 -1.154 -0.840
93 HA PHE 11 HA PHE 11 4.815 -2.828 -1.318
94 HB2 PHE 11 2HB PHE 11 2.865 -1.503 -3.225
95 HB3 PHE 11 1HB PHE 11 3.867 -2.907 -3.576
96 HD1 PHE 11 1HD PHE 11 3.328 -3.868 -0.489
97 HD2 PHE 11 2HD PHE 11 0.906 -2.920 -3.911
98 HE1 PHE 11 1HE PHE 11 1.530 -5.340 0.372
99 HE2 PHE 11 2HE PHE 11 -0.888 -4.395 -3.048
100 HZ PHE 11 HZ PHE 11 -0.577 -5.605 -0.906
101 H GLU 12 H GLU 12 4.292 0.575 -1.390
102 HA GLU 12 HA GLU 12 6.634 0.986 -3.212
103 HB2 GLU 12 2HB GLU 12 4.057 2.216 -2.820
104 HB3 GLU 12 1HB GLU 12 5.315 3.417 -2.533
105 HG2 GLU 12 2HG GLU 12 6.343 2.334 -4.745
106 HG3 GLU 12 1HG GLU 12 4.651 1.931 -5.037
107 H SER 13 H SER 13 5.282 2.019 -0.071
108 HA SER 13 HA SER 13 7.795 3.360 0.643
109 HB2 SER 13 2HB SER 13 5.316 4.056 1.104
110 HB3 SER 13 1HB SER 13 5.429 2.914 2.441
111 HG SER 13 HG SER 13 6.031 5.128 2.942
112 H LEU 14 H LEU 14 6.046 0.425 1.410
113 HA LEU 14 HA LEU 14 8.006 -0.294 3.503
114 HB2 LEU 14 2HB LEU 14 5.271 -0.561 3.239
115 HB3 LEU 14 1HB LEU 14 5.850 -2.174 2.822
116 HG LEU 14 HG LEU 14 5.436 -2.020 5.237
117 HD11 LEU 14 1HD1 LEU 14 7.357 -3.380 4.341
118 HD12 LEU 14 2HD1 LEU 14 7.579 -2.841 6.006
119 HD13 LEU 14 3HD1 LEU 14 8.417 -2.015 4.692
120 HD21 LEU 14 3HD2 LEU 14 7.478 -0.395 6.215
121 HD22 LEU 14 1HD2 LEU 14 5.763 0.011 6.179
122 HD23 LEU 14 2HD2 LEU 14 6.820 0.532 4.867
123 H LYS 15 H LYS 15 9.142 -0.244 0.952
124 HA LYS 15 HA LYS 15 9.046 -2.915 -0.257
125 HB2 LYS 15 2HB LYS 15 9.491 -0.462 -1.213
126 HB3 LYS 15 1HB LYS 15 11.162 -0.893 -0.848
127 HG2 LYS 15 2HG LYS 15 11.172 -2.681 -2.358
128 HG3 LYS 15 1HG LYS 15 9.414 -2.824 -2.349
129 HD2 LYS 15 2HD LYS 15 9.294 -0.575 -3.474
130 HD3 LYS 15 1HD LYS 15 11.051 -0.616 -3.626
131 HE2 LYS 15 2HE LYS 15 9.970 -3.121 -4.574
132 HE3 LYS 15 1HE LYS 15 9.163 -1.772 -5.400
133 HZ1 LYS 15 3HZ LYS 15 11.255 -0.815 -5.951
134 HZ2 LYS 15 1HZ LYS 15 11.324 -2.444 -6.419
135 HZ3 LYS 15 2HZ LYS 15 12.101 -1.937 -4.996
136 H SER 16 H SER 16 11.639 -0.973 1.240
137 HA SER 16 HA SER 16 12.672 -2.996 2.946
138 HB2 SER 16 2HB SER 16 13.288 -3.217 0.091
139 HB3 SER 16 1HB SER 16 14.739 -3.177 1.090
140 HG SER 16 HG SER 16 14.257 -5.219 1.355
141 H PHE 17 H PHE 17 12.914 -0.018 1.304
142 HA PHE 17 HA PHE 17 15.409 1.060 1.601
143 HB2 PHE 17 2HB PHE 17 13.113 2.580 2.800
144 HB3 PHE 17 1HB PHE 17 14.339 3.129 1.664
145 HD1 PHE 17 2HD PHE 17 14.284 2.060 -0.724
146 HD2 PHE 17 1HD PHE 17 10.985 1.991 2.028
147 HE1 PHE 17 2HE PHE 17 12.723 1.624 -2.603
148 HE2 PHE 17 1HE PHE 17 9.428 1.554 0.151
149 HZ PHE 17 HZ PHE 17 10.296 1.373 -2.166
150 HN1 NH2 18 2H PHE 17 16.448 0.787 4.972
151 HN2 NH2 18 1H PHE 17 16.826 0.571 3.331
Start of MODEL 14
1 H1 MET 1 1HT MET 1 -12.764 3.143 6.338
2 H2 MET 1 2HT MET 1 -14.323 3.419 6.952
3 H3 MET 1 3HT MET 1 -14.055 3.427 5.275
4 HA MET 1 HA MET 1 -13.737 1.048 7.038
5 HB2 MET 1 2HB MET 1 -16.049 2.166 6.609
6 HB3 MET 1 1HB MET 1 -15.859 1.574 4.958
7 HG2 MET 1 2HG MET 1 -15.756 -0.700 5.683
8 HG3 MET 1 1HG MET 1 -15.562 -0.225 7.371
9 HE1 MET 1 3HE MET 1 -19.010 -1.980 6.041
10 HE2 MET 1 1HE MET 1 -17.300 -2.072 5.600
11 HE3 MET 1 2HE MET 1 -18.416 -1.127 4.619
12 H ALA 2 H ALA 2 -11.615 1.694 5.411
13 HA ALA 2 HA ALA 2 -11.675 -0.467 3.426
14 HB1 ALA 2 1HB ALA 2 -12.494 0.950 1.834
15 HB2 ALA 2 2HB ALA 2 -10.848 1.584 1.796
16 HB3 ALA 2 3HB ALA 2 -12.079 2.385 2.772
17 H THR 3 H THR 3 -9.596 -1.256 3.174
18 HA THR 3 HA THR 3 -7.345 0.432 4.219
19 HB THR 3 HB THR 3 -7.583 -2.589 4.239
20 HG1 THR 3 1HG THR 3 -8.165 -0.750 6.317
21 HG21 THR 3 3HG2 THR 3 -5.708 -2.566 5.630
22 HG22 THR 3 1HG2 THR 3 -5.972 -0.893 6.122
23 HG23 THR 3 2HG2 THR 3 -5.345 -1.250 4.512
24 H LEU 4 H LEU 4 -8.093 0.543 1.492
25 HA LEU 4 HA LEU 4 -6.454 -1.316 -0.047
26 HB2 LEU 4 2HB LEU 4 -8.565 0.602 -0.445
27 HB3 LEU 4 1HB LEU 4 -7.250 0.959 -1.565
28 HG LEU 4 HG LEU 4 -7.963 -1.908 -1.285
29 HD11 LEU 4 1HD1 LEU 4 -10.205 -1.155 -1.338
30 HD12 LEU 4 2HD1 LEU 4 -9.826 -1.481 -3.028
31 HD13 LEU 4 3HD1 LEU 4 -9.821 0.177 -2.428
32 HD21 LEU 4 3HD2 LEU 4 -7.134 -2.008 -3.432
33 HD22 LEU 4 1HD2 LEU 4 -6.332 -0.524 -2.918
34 HD23 LEU 4 2HD2 LEU 4 -7.809 -0.441 -3.876
35 H GLU 5 H GLU 5 -6.360 2.239 0.491
36 HA GLU 5 HA GLU 5 -3.865 2.701 -0.769
37 HB2 GLU 5 2HB GLU 5 -5.657 4.018 1.176
38 HB3 GLU 5 1HB GLU 5 -3.972 4.529 1.287
39 HG2 GLU 5 2HG GLU 5 -4.660 5.985 -0.356
40 HG3 GLU 5 1HG GLU 5 -4.240 4.611 -1.382
41 H LYS 6 H LYS 6 -4.635 1.625 2.506
42 HA LYS 6 HA LYS 6 -1.978 1.765 3.574
43 HB2 LYS 6 2HB LYS 6 -4.609 0.577 4.201
44 HB3 LYS 6 1HB LYS 6 -3.239 -0.307 4.876
45 HG2 LYS 6 2HG LYS 6 -2.398 2.038 5.637
46 HG3 LYS 6 1HG LYS 6 -4.065 2.546 5.371
47 HD2 LYS 6 2HD LYS 6 -4.579 0.346 6.788
48 HD3 LYS 6 1HD LYS 6 -2.960 0.666 7.412
49 HE2 LYS 6 2HE LYS 6 -5.059 2.844 7.284
50 HE3 LYS 6 1HE LYS 6 -4.897 1.775 8.693
51 HZ1 LYS 6 3HZ LYS 6 -2.766 3.461 7.489
52 HZ2 LYS 6 1HZ LYS 6 -2.502 2.324 8.719
53 HZ3 LYS 6 2HZ LYS 6 -3.489 3.677 9.011
54 H LEU 7 H LEU 7 -3.402 -0.242 1.178
55 HA LEU 7 HA LEU 7 -1.451 -2.421 1.603
56 HB2 LEU 7 2HB LEU 7 -3.088 -3.730 0.693
57 HB3 LEU 7 1HB LEU 7 -4.131 -2.347 1.004
58 HG LEU 7 HG LEU 7 -3.290 -1.540 -1.353
59 HD11 LEU 7 1HD1 LEU 7 -3.235 -4.367 -2.147
60 HD12 LEU 7 2HD1 LEU 7 -1.851 -3.889 -1.166
61 HD13 LEU 7 3HD1 LEU 7 -2.203 -3.034 -2.666
62 HD21 LEU 7 3HD2 LEU 7 -5.065 -3.593 -2.114
63 HD22 LEU 7 1HD2 LEU 7 -5.487 -1.941 -1.666
64 HD23 LEU 7 2HD2 LEU 7 -5.476 -3.211 -0.442
65 H MET 8 H MET 8 -2.218 0.237 -0.539
66 HA MET 8 HA MET 8 -0.405 -0.619 -2.665
67 HB2 MET 8 2HB MET 8 -2.560 0.680 -2.928
68 HB3 MET 8 1HB MET 8 -1.746 2.052 -2.176
69 HG2 MET 8 2HG MET 8 -0.806 2.606 -4.143
70 HG3 MET 8 1HG MET 8 -0.048 1.018 -4.244
71 HE1 MET 8 3HE MET 8 -2.337 -1.295 -5.577
72 HE2 MET 8 1HE MET 8 -0.746 -0.817 -4.970
73 HE3 MET 8 2HE MET 8 -1.107 -0.704 -6.691
74 H LYS 9 H LYS 9 -0.502 2.169 -0.411
75 HA LYS 9 HA LYS 9 2.049 3.244 -0.967
76 HB2 LYS 9 2HB LYS 9 0.064 3.247 1.238
77 HB3 LYS 9 1HB LYS 9 1.696 3.737 1.689
78 HG2 LYS 9 2HG LYS 9 1.256 5.773 0.833
79 HG3 LYS 9 1HG LYS 9 1.175 5.028 -0.764
80 HD2 LYS 9 2HD LYS 9 -1.282 4.374 0.177
81 HD3 LYS 9 1HD LYS 9 -1.023 5.895 1.034
82 HE2 LYS 9 2HE LYS 9 -1.945 6.683 -0.964
83 HE3 LYS 9 1HE LYS 9 -0.220 6.709 -1.382
84 HZ1 LYS 9 3HZ LYS 9 -1.667 5.484 -2.999
85 HZ2 LYS 9 1HZ LYS 9 -1.961 4.338 -1.783
86 HZ3 LYS 9 2HZ LYS 9 -0.382 4.572 -2.365
87 H ALA 10 H ALA 10 1.202 0.338 0.769
88 HA ALA 10 HA ALA 10 3.619 0.067 2.309
89 HB1 ALA 10 1HB ALA 10 2.009 -2.247 1.272
90 HB2 ALA 10 2HB ALA 10 1.245 -1.101 2.375
91 HB3 ALA 10 3HB ALA 10 2.677 -1.996 2.885
92 H PHE 11 H PHE 11 2.565 -1.487 -0.749
93 HA PHE 11 HA PHE 11 4.948 -2.889 -1.310
94 HB2 PHE 11 2HB PHE 11 3.033 -1.545 -3.236
95 HB3 PHE 11 1HB PHE 11 4.044 -2.944 -3.581
96 HD1 PHE 11 1HD PHE 11 3.468 -3.984 -0.551
97 HD2 PHE 11 2HD PHE 11 1.061 -2.909 -3.946
98 HE1 PHE 11 1HE PHE 11 1.653 -5.460 0.266
99 HE2 PHE 11 2HE PHE 11 -0.749 -4.389 -3.128
100 HZ PHE 11 HZ PHE 11 -0.454 -5.666 -1.023
101 H GLU 12 H GLU 12 4.274 0.515 -1.520
102 HA GLU 12 HA GLU 12 6.709 0.995 -3.175
103 HB2 GLU 12 2HB GLU 12 4.098 2.186 -2.781
104 HB3 GLU 12 1HB GLU 12 5.358 3.389 -2.518
105 HG2 GLU 12 2HG GLU 12 5.833 1.663 -4.858
106 HG3 GLU 12 1HG GLU 12 4.382 2.659 -4.987
107 H SER 13 H SER 13 5.191 2.040 -0.114
108 HA SER 13 HA SER 13 7.511 3.536 0.753
109 HB2 SER 13 2HB SER 13 5.159 2.466 2.329
110 HB3 SER 13 1HB SER 13 6.198 3.812 2.788
111 HG SER 13 HG SER 13 4.014 3.997 1.458
112 H LEU 14 H LEU 14 6.290 0.283 1.343
113 HA LEU 14 HA LEU 14 7.978 -0.438 3.521
114 HB2 LEU 14 2HB LEU 14 5.996 -1.680 2.574
115 HB3 LEU 14 1HB LEU 14 7.032 -2.198 1.243
116 HG LEU 14 HG LEU 14 8.119 -2.629 3.971
117 HD11 LEU 14 1HD1 LEU 14 5.606 -3.914 2.949
118 HD12 LEU 14 2HD1 LEU 14 6.015 -3.416 4.591
119 HD13 LEU 14 3HD1 LEU 14 6.735 -4.872 3.906
120 HD21 LEU 14 3HD2 LEU 14 8.979 -3.331 1.564
121 HD22 LEU 14 1HD2 LEU 14 7.872 -4.683 1.799
122 HD23 LEU 14 2HD2 LEU 14 9.193 -4.415 2.937
123 H LYS 15 H LYS 15 8.720 0.066 0.166
124 HA LYS 15 HA LYS 15 11.063 -1.592 -0.057
125 HB2 LYS 15 2HB LYS 15 9.743 0.656 -1.474
126 HB3 LYS 15 1HB LYS 15 11.462 0.440 -1.803
127 HG2 LYS 15 2HG LYS 15 9.569 -1.903 -1.879
128 HG3 LYS 15 1HG LYS 15 9.778 -0.860 -3.286
129 HD2 LYS 15 2HD LYS 15 12.018 -1.461 -3.567
130 HD3 LYS 15 1HD LYS 15 12.196 -1.963 -1.885
131 HE2 LYS 15 2HE LYS 15 11.960 -4.078 -2.733
132 HE3 LYS 15 1HE LYS 15 10.230 -3.680 -2.785
133 HZ1 LYS 15 3HZ LYS 15 11.124 -4.387 -4.966
134 HZ2 LYS 15 1HZ LYS 15 12.162 -3.045 -4.951
135 HZ3 LYS 15 2HZ LYS 15 10.479 -2.816 -4.989
136 H SER 16 H SER 16 10.823 1.945 0.300
137 HA SER 16 HA SER 16 12.569 2.344 2.466
138 HB2 SER 16 2HB SER 16 13.864 1.588 -0.074
139 HB3 SER 16 1HB SER 16 14.532 3.043 0.658
140 HG SER 16 HG SER 16 15.602 1.375 1.593
141 H PHE 17 H PHE 17 11.430 3.383 -0.645
142 HA PHE 17 HA PHE 17 11.876 6.235 -0.018
143 HB2 PHE 17 2HB PHE 17 10.868 6.333 -2.460
144 HB3 PHE 17 1HB PHE 17 12.528 5.795 -2.219
145 HD1 PHE 17 2HD PHE 17 9.019 4.568 -2.629
146 HD2 PHE 17 1HD PHE 17 13.203 3.610 -2.822
147 HE1 PHE 17 2HE PHE 17 8.473 2.372 -3.651
148 HE2 PHE 17 1HE PHE 17 12.656 1.416 -3.841
149 HZ PHE 17 HZ PHE 17 10.291 0.801 -4.261
150 HN1 NH2 18 2H PHE 17 8.248 6.998 -0.498
151 HN2 NH2 18 1H PHE 17 9.691 7.429 -1.280
Start of MODEL 15
1 H1 MET 1 1HT MET 1 -15.458 -1.325 2.650
2 H2 MET 1 2HT MET 1 -16.034 0.127 3.318
3 H3 MET 1 3HT MET 1 -16.264 -1.339 4.143
4 HA MET 1 HA MET 1 -14.481 -0.265 5.248
5 HB2 MET 1 2HB MET 1 -13.790 -2.459 3.290
6 HB3 MET 1 1HB MET 1 -12.612 -1.891 4.474
7 HG2 MET 1 2HG MET 1 -15.382 -2.629 5.376
8 HG3 MET 1 1HG MET 1 -14.191 -3.898 5.089
9 HE1 MET 1 3HE MET 1 -15.311 -4.076 7.425
10 HE2 MET 1 1HE MET 1 -15.601 -2.514 8.205
11 HE3 MET 1 2HE MET 1 -14.415 -3.632 8.876
12 H ALA 2 H ALA 2 -11.898 0.087 4.684
13 HA ALA 2 HA ALA 2 -11.454 1.459 2.126
14 HB1 ALA 2 1HB ALA 2 -11.323 3.675 3.043
15 HB2 ALA 2 2HB ALA 2 -11.425 3.065 4.695
16 HB3 ALA 2 3HB ALA 2 -12.835 2.989 3.638
17 H THR 3 H THR 3 -9.881 -0.515 2.696
18 HA THR 3 HA THR 3 -7.463 0.631 4.056
19 HB THR 3 HB THR 3 -8.192 -2.297 3.853
20 HG1 THR 3 1HG THR 3 -9.366 -2.108 5.640
21 HG21 THR 3 3HG2 THR 3 -6.677 -1.009 6.089
22 HG22 THR 3 1HG2 THR 3 -5.858 -1.257 4.547
23 HG23 THR 3 2HG2 THR 3 -6.523 -2.634 5.424
24 H LEU 4 H LEU 4 -8.016 0.964 1.277
25 HA LEU 4 HA LEU 4 -6.455 -1.057 -0.171
26 HB2 LEU 4 2HB LEU 4 -8.345 1.117 -0.720
27 HB3 LEU 4 1HB LEU 4 -7.012 1.070 -1.872
28 HG LEU 4 HG LEU 4 -7.657 -1.595 -1.653
29 HD11 LEU 4 1HD1 LEU 4 -9.734 -0.496 -0.347
30 HD12 LEU 4 2HD1 LEU 4 -9.912 -1.931 -1.356
31 HD13 LEU 4 3HD1 LEU 4 -10.340 -0.344 -1.996
32 HD21 LEU 4 3HD2 LEU 4 -7.334 0.032 -3.672
33 HD22 LEU 4 1HD2 LEU 4 -9.090 0.189 -3.615
34 HD23 LEU 4 2HD2 LEU 4 -8.354 -1.390 -3.891
35 H GLU 5 H GLU 5 -6.223 2.459 0.500
36 HA GLU 5 HA GLU 5 -3.693 2.882 -0.706
37 HB2 GLU 5 2HB GLU 5 -5.583 4.358 0.640
38 HB3 GLU 5 1HB GLU 5 -4.252 4.350 1.796
39 HG2 GLU 5 2HG GLU 5 -3.910 6.259 0.386
40 HG3 GLU 5 1HG GLU 5 -2.734 5.046 -0.121
41 H LYS 6 H LYS 6 -4.560 1.747 2.530
42 HA LYS 6 HA LYS 6 -1.919 1.703 3.635
43 HB2 LYS 6 2HB LYS 6 -4.398 1.337 4.574
44 HB3 LYS 6 1HB LYS 6 -3.978 -0.358 4.322
45 HG2 LYS 6 2HG LYS 6 -2.587 -0.377 6.103
46 HG3 LYS 6 1HG LYS 6 -1.811 1.126 5.603
47 HD2 LYS 6 2HD LYS 6 -2.823 1.747 7.620
48 HD3 LYS 6 1HD LYS 6 -4.030 2.243 6.433
49 HE2 LYS 6 2HE LYS 6 -5.458 0.453 6.942
50 HE3 LYS 6 1HE LYS 6 -4.143 -0.529 7.616
51 HZ1 LYS 6 3HZ LYS 6 -5.611 0.582 9.305
52 HZ2 LYS 6 1HZ LYS 6 -4.983 2.066 8.780
53 HZ3 LYS 6 2HZ LYS 6 -3.950 0.906 9.467
54 H LEU 7 H LEU 7 -3.411 -0.161 1.158
55 HA LEU 7 HA LEU 7 -1.551 -2.431 1.539
56 HB2 LEU 7 2HB LEU 7 -3.247 -3.657 0.631
57 HB3 LEU 7 1HB LEU 7 -4.232 -2.232 0.942
58 HG LEU 7 HG LEU 7 -3.366 -1.447 -1.402
59 HD11 LEU 7 1HD1 LEU 7 -2.234 -2.934 -2.668
60 HD12 LEU 7 2HD1 LEU 7 -3.379 -4.222 -2.295
61 HD13 LEU 7 3HD1 LEU 7 -2.034 -3.896 -1.204
62 HD21 LEU 7 3HD2 LEU 7 -5.191 -3.609 -2.008
63 HD22 LEU 7 1HD2 LEU 7 -5.511 -1.876 -1.948
64 HD23 LEU 7 2HD2 LEU 7 -5.642 -2.849 -0.483
65 H MET 8 H MET 8 -2.232 0.285 -0.565
66 HA MET 8 HA MET 8 -0.474 -0.600 -2.719
67 HB2 MET 8 2HB MET 8 -2.546 0.825 -2.936
68 HB3 MET 8 1HB MET 8 -1.663 2.125 -2.136
69 HG2 MET 8 2HG MET 8 -0.266 2.478 -3.940
70 HG3 MET 8 1HG MET 8 -0.370 0.803 -4.482
71 HE1 MET 8 3HE MET 8 -2.228 4.373 -6.029
72 HE2 MET 8 1HE MET 8 -1.102 4.136 -4.686
73 HE3 MET 8 2HE MET 8 -2.833 4.242 -4.380
74 H LYS 9 H LYS 9 -0.385 2.259 -0.554
75 HA LYS 9 HA LYS 9 2.255 3.083 -1.065
76 HB2 LYS 9 2HB LYS 9 0.195 3.384 1.013
77 HB3 LYS 9 1HB LYS 9 1.836 3.608 1.622
78 HG2 LYS 9 2HG LYS 9 1.038 5.760 0.865
79 HG3 LYS 9 1HG LYS 9 2.244 5.198 -0.293
80 HD2 LYS 9 2HD LYS 9 0.083 4.128 -1.450
81 HD3 LYS 9 1HD LYS 9 -0.712 5.462 -0.613
82 HE2 LYS 9 2HE LYS 9 1.725 5.818 -2.392
83 HE3 LYS 9 1HE LYS 9 0.054 6.075 -2.934
84 HZ1 LYS 9 3HZ LYS 9 -0.250 7.613 -1.068
85 HZ2 LYS 9 1HZ LYS 9 0.969 8.145 -2.120
86 HZ3 LYS 9 2HZ LYS 9 1.384 7.421 -0.640
87 H ALA 10 H ALA 10 1.101 0.380 0.842
88 HA ALA 10 HA ALA 10 3.418 -0.104 2.436
89 HB1 ALA 10 1HB ALA 10 1.691 -1.428 3.130
90 HB2 ALA 10 2HB ALA 10 2.324 -2.570 1.944
91 HB3 ALA 10 3HB ALA 10 0.986 -1.503 1.516
92 H PHE 11 H PHE 11 2.515 -1.183 -0.839
93 HA PHE 11 HA PHE 11 4.889 -2.820 -1.210
94 HB2 PHE 11 2HB PHE 11 2.978 -1.605 -3.226
95 HB3 PHE 11 1HB PHE 11 3.988 -3.026 -3.462
96 HD1 PHE 11 1HD PHE 11 3.353 -3.877 -0.386
97 HD2 PHE 11 2HD PHE 11 1.013 -2.995 -3.882
98 HE1 PHE 11 1HE PHE 11 1.515 -5.297 0.482
99 HE2 PHE 11 2HE PHE 11 -0.819 -4.417 -3.014
100 HZ PHE 11 HZ PHE 11 -0.569 -5.568 -0.831
101 H GLU 12 H GLU 12 4.221 0.562 -1.412
102 HA GLU 12 HA GLU 12 6.512 1.047 -3.257
103 HB2 GLU 12 2HB GLU 12 3.965 2.279 -2.603
104 HB3 GLU 12 1HB GLU 12 5.273 3.457 -2.489
105 HG2 GLU 12 2HG GLU 12 6.021 2.888 -4.750
106 HG3 GLU 12 1HG GLU 12 4.779 1.641 -4.869
107 H SER 13 H SER 13 5.342 2.022 -0.013
108 HA SER 13 HA SER 13 7.972 3.229 0.562
109 HB2 SER 13 2HB SER 13 5.437 4.022 1.056
110 HB3 SER 13 1HB SER 13 5.781 3.176 2.561
111 HG SER 13 HG SER 13 7.532 4.509 2.884
112 H LEU 14 H LEU 14 5.984 0.502 1.492
113 HA LEU 14 HA LEU 14 7.849 -0.235 3.658
114 HB2 LEU 14 2HB LEU 14 5.123 -0.350 3.343
115 HB3 LEU 14 1HB LEU 14 5.597 -2.009 2.982
116 HG LEU 14 HG LEU 14 5.148 -1.757 5.383
117 HD11 LEU 14 1HD1 LEU 14 8.135 -1.971 4.924
118 HD12 LEU 14 2HD1 LEU 14 6.997 -3.264 4.549
119 HD13 LEU 14 3HD1 LEU 14 7.196 -2.721 6.215
120 HD21 LEU 14 3HD2 LEU 14 7.522 0.029 5.714
121 HD22 LEU 14 1HD2 LEU 14 6.072 -0.104 6.709
122 HD23 LEU 14 2HD2 LEU 14 6.012 0.765 5.175
123 H LYS 15 H LYS 15 8.623 -0.395 0.761
124 HA LYS 15 HA LYS 15 8.595 -3.154 -0.087
125 HB2 LYS 15 2HB LYS 15 9.124 -0.781 -1.236
126 HB3 LYS 15 1HB LYS 15 10.776 -1.290 -0.888
127 HG2 LYS 15 2HG LYS 15 8.908 -3.265 -2.145
128 HG3 LYS 15 1HG LYS 15 9.600 -1.997 -3.157
129 HD2 LYS 15 2HD LYS 15 11.829 -2.783 -1.849
130 HD3 LYS 15 1HD LYS 15 10.932 -4.302 -1.835
131 HE2 LYS 15 2HE LYS 15 10.612 -4.099 -4.308
132 HE3 LYS 15 1HE LYS 15 11.632 -2.648 -4.287
133 HZ1 LYS 15 3HZ LYS 15 13.331 -4.013 -3.107
134 HZ2 LYS 15 1HZ LYS 15 13.049 -4.497 -4.708
135 HZ3 LYS 15 2HZ LYS 15 12.384 -5.388 -3.424
136 H SER 16 H SER 16 10.967 -1.143 1.601
137 HA SER 16 HA SER 16 12.056 -3.135 3.271
138 HB2 SER 16 2HB SER 16 12.972 -3.150 0.460
139 HB3 SER 16 1HB SER 16 14.276 -3.152 1.643
140 HG SER 16 HG SER 16 12.043 -4.908 1.684
141 H PHE 17 H PHE 17 12.607 -0.328 1.287
142 HA PHE 17 HA PHE 17 14.787 0.739 2.908
143 HB2 PHE 17 2HB PHE 17 14.117 2.820 1.413
144 HB3 PHE 17 1HB PHE 17 14.911 1.429 0.683
145 HD1 PHE 17 2HD PHE 17 11.385 2.307 1.685
146 HD2 PHE 17 1HD PHE 17 14.018 0.803 -1.359
147 HE1 PHE 17 2HE PHE 17 9.449 1.964 0.175
148 HE2 PHE 17 1HE PHE 17 12.081 0.459 -2.865
149 HZ PHE 17 HZ PHE 17 9.798 1.040 -2.101
150 HN1 NH2 18 2H PHE 17 12.940 3.447 4.575
151 HN2 NH2 18 1H PHE 17 14.335 3.246 3.629
Start of MODEL 16
1 H1 MET 1 1HT MET 1 -15.307 -0.144 6.775
2 H2 MET 1 2HT MET 1 -15.675 -1.102 5.420
3 H3 MET 1 3HT MET 1 -14.923 0.408 5.217
4 HA MET 1 HA MET 1 -13.012 -0.529 6.592
5 HB2 MET 1 2HB MET 1 -14.655 -2.983 5.888
6 HB3 MET 1 1HB MET 1 -13.012 -3.043 6.527
7 HG2 MET 1 2HG MET 1 -14.108 -3.149 8.536
8 HG3 MET 1 1HG MET 1 -14.144 -1.396 8.350
9 HE1 MET 1 3HE MET 1 -17.619 -1.838 9.808
10 HE2 MET 1 1HE MET 1 -16.175 -0.821 9.712
11 HE3 MET 1 2HE MET 1 -16.048 -2.486 10.275
12 H ALA 2 H ALA 2 -11.880 0.405 4.852
13 HA ALA 2 HA ALA 2 -11.927 -1.094 2.254
14 HB1 ALA 2 1HB ALA 2 -12.481 1.533 2.791
15 HB2 ALA 2 2HB ALA 2 -11.899 0.951 1.232
16 HB3 ALA 2 3HB ALA 2 -10.764 1.623 2.402
17 H THR 3 H THR 3 -9.647 1.071 3.980
18 HA THR 3 HA THR 3 -7.308 0.901 4.272
19 HB THR 3 HB THR 3 -7.925 -2.065 4.312
20 HG1 THR 3 1HG THR 3 -8.965 -1.780 6.121
21 HG21 THR 3 3HG2 THR 3 -5.537 -1.127 4.532
22 HG22 THR 3 1HG2 THR 3 -6.086 -2.228 5.795
23 HG23 THR 3 2HG2 THR 3 -6.064 -0.489 6.089
24 H LEU 4 H LEU 4 -8.079 1.109 1.558
25 HA LEU 4 HA LEU 4 -6.693 -0.951 0.014
26 HB2 LEU 4 2HB LEU 4 -8.100 1.659 -0.593
27 HB3 LEU 4 1HB LEU 4 -7.331 0.691 -1.853
28 HG LEU 4 HG LEU 4 -9.215 -0.670 0.033
29 HD11 LEU 4 1HD1 LEU 4 -10.115 1.608 -1.067
30 HD12 LEU 4 2HD1 LEU 4 -11.138 0.179 -0.909
31 HD13 LEU 4 3HD1 LEU 4 -10.353 0.535 -2.447
32 HD21 LEU 4 3HD2 LEU 4 -9.515 -2.151 -1.802
33 HD22 LEU 4 1HD2 LEU 4 -7.795 -1.758 -1.828
34 HD23 LEU 4 2HD2 LEU 4 -8.897 -0.971 -2.958
35 H GLU 5 H GLU 5 -6.244 2.592 0.451
36 HA GLU 5 HA GLU 5 -3.737 2.772 -0.857
37 HB2 GLU 5 2HB GLU 5 -5.353 4.309 1.088
38 HB3 GLU 5 1HB GLU 5 -3.624 4.660 1.139
39 HG2 GLU 5 2HG GLU 5 -3.928 4.713 -1.510
40 HG3 GLU 5 1HG GLU 5 -5.587 5.118 -1.067
41 H LYS 6 H LYS 6 -4.555 1.853 2.456
42 HA LYS 6 HA LYS 6 -1.891 1.770 3.500
43 HB2 LYS 6 2HB LYS 6 -4.509 1.301 4.359
44 HB3 LYS 6 1HB LYS 6 -3.734 -0.276 4.499
45 HG2 LYS 6 2HG LYS 6 -3.383 0.884 6.584
46 HG3 LYS 6 1HG LYS 6 -1.841 0.857 5.727
47 HD2 LYS 6 2HD LYS 6 -1.976 3.124 5.143
48 HD3 LYS 6 1HD LYS 6 -3.726 3.175 5.366
49 HE2 LYS 6 2HE LYS 6 -2.926 2.485 7.887
50 HE3 LYS 6 1HE LYS 6 -1.572 3.509 7.369
51 HZ1 LYS 6 3HZ LYS 6 -3.252 4.944 8.214
52 HZ2 LYS 6 1HZ LYS 6 -4.463 4.181 7.304
53 HZ3 LYS 6 2HZ LYS 6 -3.271 5.105 6.523
54 H LEU 7 H LEU 7 -3.516 -0.150 1.152
55 HA LEU 7 HA LEU 7 -1.767 -2.488 1.567
56 HB2 LEU 7 2HB LEU 7 -3.478 -3.618 0.544
57 HB3 LEU 7 1HB LEU 7 -4.401 -2.161 0.894
58 HG LEU 7 HG LEU 7 -3.425 -1.337 -1.412
59 HD11 LEU 7 1HD1 LEU 7 -2.608 -2.924 -2.857
60 HD12 LEU 7 2HD1 LEU 7 -3.592 -4.212 -2.162
61 HD13 LEU 7 3HD1 LEU 7 -2.118 -3.693 -1.347
62 HD21 LEU 7 3HD2 LEU 7 -5.688 -1.492 -1.597
63 HD22 LEU 7 1HD2 LEU 7 -5.749 -2.999 -0.684
64 HD23 LEU 7 2HD2 LEU 7 -5.359 -3.025 -2.403
65 H MET 8 H MET 8 -2.163 0.294 -0.499
66 HA MET 8 HA MET 8 -0.293 -0.702 -2.539
67 HB2 MET 8 2HB MET 8 -2.488 0.987 -2.479
68 HB3 MET 8 1HB MET 8 -1.135 2.112 -2.588
69 HG2 MET 8 2HG MET 8 -1.271 1.693 -4.823
70 HG3 MET 8 1HG MET 8 -0.379 0.228 -4.414
71 HE1 MET 8 3HE MET 8 -0.807 -1.701 -4.752
72 HE2 MET 8 1HE MET 8 -1.582 -1.696 -6.342
73 HE3 MET 8 2HE MET 8 -2.307 -2.588 -5.006
74 H LYS 9 H LYS 9 -0.477 1.982 -0.184
75 HA LYS 9 HA LYS 9 2.030 3.177 -0.630
76 HB2 LYS 9 2HB LYS 9 -0.048 3.114 1.365
77 HB3 LYS 9 1HB LYS 9 1.520 3.110 2.172
78 HG2 LYS 9 2HG LYS 9 1.322 5.377 1.875
79 HG3 LYS 9 1HG LYS 9 2.012 4.982 0.300
80 HD2 LYS 9 2HD LYS 9 -0.596 4.545 -0.242
81 HD3 LYS 9 1HD LYS 9 -0.763 5.782 1.004
82 HE2 LYS 9 2HE LYS 9 1.268 6.825 -0.537
83 HE3 LYS 9 1HE LYS 9 0.242 6.041 -1.755
84 HZ1 LYS 9 3HZ LYS 9 -1.695 7.090 -0.678
85 HZ2 LYS 9 1HZ LYS 9 -0.614 8.231 -1.317
86 HZ3 LYS 9 2HZ LYS 9 -0.646 7.936 0.356
87 H ALA 10 H ALA 10 1.281 0.119 0.905
88 HA ALA 10 HA ALA 10 3.810 -0.216 2.270
89 HB1 ALA 10 1HB ALA 10 1.348 -1.738 1.647
90 HB2 ALA 10 2HB ALA 10 2.246 -1.633 3.161
91 HB3 ALA 10 3HB ALA 10 2.789 -2.726 1.887
92 H PHE 11 H PHE 11 2.539 -1.205 -0.909
93 HA PHE 11 HA PHE 11 4.798 -2.834 -1.629
94 HB2 PHE 11 2HB PHE 11 2.814 -1.318 -3.348
95 HB3 PHE 11 1HB PHE 11 3.757 -2.720 -3.844
96 HD1 PHE 11 2HD PHE 11 3.318 -3.860 -0.792
97 HD2 PHE 11 1HD PHE 11 0.794 -2.659 -4.058
98 HE1 PHE 11 2HE PHE 11 1.519 -5.338 0.054
99 HE2 PHE 11 1HE PHE 11 -1.001 -4.142 -3.211
100 HZ PHE 11 HZ PHE 11 -0.640 -5.482 -1.157
101 H GLU 12 H GLU 12 4.453 0.553 -1.338
102 HA GLU 12 HA GLU 12 6.837 0.988 -3.114
103 HB2 GLU 12 2HB GLU 12 4.215 2.230 -2.858
104 HB3 GLU 12 1HB GLU 12 5.507 3.415 -2.680
105 HG2 GLU 12 2HG GLU 12 5.862 1.458 -4.878
106 HG3 GLU 12 1HG GLU 12 4.542 2.607 -5.084
107 H SER 13 H SER 13 5.206 2.002 -0.118
108 HA SER 13 HA SER 13 7.452 3.630 0.756
109 HB2 SER 13 2HB SER 13 5.099 2.638 2.364
110 HB3 SER 13 1HB SER 13 6.035 4.107 2.626
111 HG SER 13 HG SER 13 4.864 5.071 1.174
112 H LEU 14 H LEU 14 6.428 0.326 1.225
113 HA LEU 14 HA LEU 14 7.677 -0.372 3.647
114 HB2 LEU 14 2HB LEU 14 6.307 -1.902 2.356
115 HB3 LEU 14 1HB LEU 14 7.455 -1.868 1.018
116 HG LEU 14 HG LEU 14 9.181 -2.857 2.529
117 HD11 LEU 14 1HD1 LEU 14 8.003 -3.988 4.617
118 HD12 LEU 14 2HD1 LEU 14 6.890 -2.631 4.449
119 HD13 LEU 14 3HD1 LEU 14 8.607 -2.334 4.717
120 HD21 LEU 14 3HD2 LEU 14 8.041 -4.417 1.136
121 HD22 LEU 14 1HD2 LEU 14 6.562 -4.304 2.091
122 HD23 LEU 14 2HD2 LEU 14 7.979 -5.119 2.753
123 H LYS 15 H LYS 15 9.242 -1.040 0.494
124 HA LYS 15 HA LYS 15 11.838 -0.149 1.695
125 HB2 LYS 15 2HB LYS 15 11.281 -2.686 1.624
126 HB3 LYS 15 1HB LYS 15 11.553 -2.543 -0.113
127 HG2 LYS 15 2HG LYS 15 13.696 -1.186 1.176
128 HG3 LYS 15 1HG LYS 15 13.504 -2.739 1.990
129 HD2 LYS 15 2HD LYS 15 13.597 -3.904 -0.171
130 HD3 LYS 15 1HD LYS 15 13.746 -2.359 -1.009
131 HE2 LYS 15 2HE LYS 15 15.805 -2.030 0.643
132 HE3 LYS 15 1HE LYS 15 15.775 -3.805 0.657
133 HZ1 LYS 15 3HZ LYS 15 17.102 -2.910 -1.197
134 HZ2 LYS 15 1HZ LYS 15 15.722 -2.127 -1.796
135 HZ3 LYS 15 2HZ LYS 15 15.776 -3.824 -1.736
136 H SER 16 H SER 16 9.850 -0.585 -1.187
137 HA SER 16 HA SER 16 11.723 0.142 -3.188
138 HB2 SER 16 2HB SER 16 9.083 -0.583 -3.023
139 HB3 SER 16 1HB SER 16 8.954 1.106 -3.508
140 HG SER 16 HG SER 16 9.485 0.445 -5.421
141 H PHE 17 H PHE 17 10.330 2.073 -0.694
142 HA PHE 17 HA PHE 17 10.075 4.628 -1.805
143 HB2 PHE 17 2HB PHE 17 10.426 5.397 0.454
144 HB3 PHE 17 1HB PHE 17 9.657 3.815 0.565
145 HD1 PHE 17 2HD PHE 17 12.877 5.634 0.861
146 HD2 PHE 17 1HD PHE 17 10.812 1.922 1.506
147 HE1 PHE 17 2HE PHE 17 14.784 4.807 2.210
148 HE2 PHE 17 1HE PHE 17 12.722 1.097 2.857
149 HZ PHE 17 HZ PHE 17 14.707 2.539 3.208
150 HN1 NH2 18 2H PHE 17 13.257 6.015 -2.513
151 HN2 NH2 18 1H PHE 17 11.575 6.238 -2.488
Start of MODEL 17
1 H1 MET 1 1HT MET 1 -13.427 -1.611 7.006
2 H2 MET 1 2HT MET 1 -12.210 -0.850 6.096
3 H3 MET 1 3HT MET 1 -12.389 -2.538 6.036
4 HA MET 1 HA MET 1 -14.679 -2.157 5.087
5 HB2 MET 1 2HB MET 1 -13.475 0.604 5.248
6 HB3 MET 1 1HB MET 1 -14.733 0.238 4.065
7 HG2 MET 1 2HG MET 1 -15.941 -0.810 6.189
8 HG3 MET 1 1HG MET 1 -14.905 0.328 7.051
9 HE1 MET 1 3HE MET 1 -15.680 3.676 6.084
10 HE2 MET 1 1HE MET 1 -14.673 2.449 6.864
11 HE3 MET 1 2HE MET 1 -16.224 2.897 7.568
12 H ALA 2 H ALA 2 -11.505 -0.765 4.229
13 HA ALA 2 HA ALA 2 -11.385 -2.498 1.842
14 HB1 ALA 2 1HB ALA 2 -12.650 -0.152 1.540
15 HB2 ALA 2 2HB ALA 2 -11.626 -0.820 0.270
16 HB3 ALA 2 3HB ALA 2 -10.993 0.422 1.350
17 H THR 3 H THR 3 -9.896 0.315 3.483
18 HA THR 3 HA THR 3 -7.614 0.880 3.785
19 HB THR 3 HB THR 3 -6.406 -0.982 4.854
20 HG1 THR 3 1HG THR 3 -7.005 -2.608 3.398
21 HG21 THR 3 3HG2 THR 3 -8.059 -1.524 6.579
22 HG22 THR 3 1HG2 THR 3 -9.365 -1.023 5.506
23 HG23 THR 3 2HG2 THR 3 -8.211 0.168 6.104
24 H LEU 4 H LEU 4 -8.220 0.568 1.038
25 HA LEU 4 HA LEU 4 -6.389 -1.213 -0.294
26 HB2 LEU 4 2HB LEU 4 -7.977 1.243 -1.062
27 HB3 LEU 4 1HB LEU 4 -6.970 0.387 -2.230
28 HG LEU 4 HG LEU 4 -8.889 -1.203 -0.572
29 HD11 LEU 4 1HD1 LEU 4 -9.612 0.545 -2.939
30 HD12 LEU 4 2HD1 LEU 4 -10.330 0.572 -1.328
31 HD13 LEU 4 3HD1 LEU 4 -10.607 -0.805 -2.395
32 HD21 LEU 4 3HD2 LEU 4 -7.736 -1.345 -3.371
33 HD22 LEU 4 1HD2 LEU 4 -9.004 -2.430 -2.804
34 HD23 LEU 4 2HD2 LEU 4 -7.424 -2.438 -2.023
35 H GLU 5 H GLU 5 -6.298 2.338 0.251
36 HA GLU 5 HA GLU 5 -3.729 2.785 -0.856
37 HB2 GLU 5 2HB GLU 5 -5.650 4.115 0.933
38 HB3 GLU 5 1HB GLU 5 -3.977 4.585 1.238
39 HG2 GLU 5 2HG GLU 5 -3.706 5.078 -1.190
40 HG3 GLU 5 1HG GLU 5 -5.412 4.701 -1.431
41 H LYS 6 H LYS 6 -4.705 1.744 2.379
42 HA LYS 6 HA LYS 6 -2.109 1.838 3.590
43 HB2 LYS 6 2HB LYS 6 -4.670 1.376 4.384
44 HB3 LYS 6 1HB LYS 6 -4.048 -0.274 4.367
45 HG2 LYS 6 2HG LYS 6 -2.018 1.250 5.575
46 HG3 LYS 6 1HG LYS 6 -3.520 1.863 6.267
47 HD2 LYS 6 2HD LYS 6 -3.678 -1.003 6.130
48 HD3 LYS 6 1HD LYS 6 -2.162 -0.556 6.912
49 HE2 LYS 6 2HE LYS 6 -3.580 -0.500 8.754
50 HE3 LYS 6 1HE LYS 6 -3.785 1.170 8.186
51 HZ1 LYS 6 3HZ LYS 6 -5.918 -0.037 8.486
52 HZ2 LYS 6 1HZ LYS 6 -5.441 -1.119 7.269
53 HZ3 LYS 6 2HZ LYS 6 -5.675 0.523 6.900
54 H LEU 7 H LEU 7 -3.443 -0.167 1.141
55 HA LEU 7 HA LEU 7 -1.542 -2.366 1.705
56 HB2 LEU 7 2HB LEU 7 -3.180 -3.687 0.828
57 HB3 LEU 7 1HB LEU 7 -4.210 -2.275 1.025
58 HG LEU 7 HG LEU 7 -3.298 -1.604 -1.337
59 HD11 LEU 7 1HD1 LEU 7 -2.265 -3.205 -2.607
60 HD12 LEU 7 2HD1 LEU 7 -3.154 -4.526 -1.848
61 HD13 LEU 7 3HD1 LEU 7 -1.765 -3.813 -1.029
62 HD21 LEU 7 3HD2 LEU 7 -5.403 -2.150 -1.942
63 HD22 LEU 7 1HD2 LEU 7 -5.563 -3.002 -0.406
64 HD23 LEU 7 2HD2 LEU 7 -5.034 -3.871 -1.846
65 H MET 8 H MET 8 -2.174 0.259 -0.506
66 HA MET 8 HA MET 8 -0.366 -0.722 -2.585
67 HB2 MET 8 2HB MET 8 -2.445 0.630 -2.973
68 HB3 MET 8 1HB MET 8 -1.660 1.987 -2.165
69 HG2 MET 8 2HG MET 8 0.257 1.617 -3.880
70 HG3 MET 8 1HG MET 8 -0.938 0.689 -4.786
71 HE1 MET 8 3HE MET 8 0.265 2.797 -6.298
72 HE2 MET 8 1HE MET 8 -1.042 3.821 -6.909
73 HE3 MET 8 2HE MET 8 -1.227 2.069 -6.884
74 H LYS 9 H LYS 9 -0.410 2.125 -0.415
75 HA LYS 9 HA LYS 9 2.171 3.119 -0.921
76 HB2 LYS 9 2HB LYS 9 0.861 4.481 0.417
77 HB3 LYS 9 1HB LYS 9 0.193 3.123 1.318
78 HG2 LYS 9 2HG LYS 9 3.106 3.716 1.649
79 HG3 LYS 9 1HG LYS 9 1.948 4.792 2.432
80 HD2 LYS 9 2HD LYS 9 1.089 2.092 2.864
81 HD3 LYS 9 1HD LYS 9 2.797 2.203 3.291
82 HE2 LYS 9 2HE LYS 9 2.294 4.181 4.725
83 HE3 LYS 9 1HE LYS 9 0.570 3.987 4.344
84 HZ1 LYS 9 3HZ LYS 9 2.299 1.864 5.500
85 HZ2 LYS 9 1HZ LYS 9 0.634 1.753 5.200
86 HZ3 LYS 9 2HZ LYS 9 1.210 2.813 6.396
87 H ALA 10 H ALA 10 1.210 0.264 0.862
88 HA ALA 10 HA ALA 10 3.612 -0.119 2.387
89 HB1 ALA 10 1HB ALA 10 1.935 -1.475 3.153
90 HB2 ALA 10 2HB ALA 10 2.590 -2.614 1.975
91 HB3 ALA 10 3HB ALA 10 1.196 -1.616 1.559
92 H PHE 11 H PHE 11 2.584 -1.213 -0.848
93 HA PHE 11 HA PHE 11 4.942 -2.817 -1.350
94 HB2 PHE 11 2HB PHE 11 2.958 -1.519 -3.243
95 HB3 PHE 11 1HB PHE 11 3.989 -2.900 -3.605
96 HD1 PHE 11 1HD PHE 11 3.501 -3.935 -0.556
97 HD2 PHE 11 2HD PHE 11 1.001 -2.926 -3.904
98 HE1 PHE 11 1HE PHE 11 1.737 -5.452 0.300
99 HE2 PHE 11 2HE PHE 11 -0.759 -4.444 -3.047
100 HZ PHE 11 HZ PHE 11 -0.392 -5.708 -0.945
101 H GLU 12 H GLU 12 4.321 0.578 -1.420
102 HA GLU 12 HA GLU 12 6.640 1.057 -3.250
103 HB2 GLU 12 2HB GLU 12 4.054 2.141 -2.987
104 HB3 GLU 12 1HB GLU 12 5.142 3.394 -2.391
105 HG2 GLU 12 2HG GLU 12 6.112 3.719 -4.440
106 HG3 GLU 12 1HG GLU 12 5.984 2.016 -4.885
107 H SER 13 H SER 13 5.316 2.024 -0.076
108 HA SER 13 HA SER 13 7.909 3.266 0.617
109 HB2 SER 13 2HB SER 13 5.453 4.205 0.899
110 HB3 SER 13 1HB SER 13 5.484 3.241 2.373
111 HG SER 13 HG SER 13 6.357 5.593 2.230
112 H LEU 14 H LEU 14 5.983 0.462 1.309
113 HA LEU 14 HA LEU 14 7.785 -0.240 3.567
114 HB2 LEU 14 2HB LEU 14 5.139 0.006 3.645
115 HB3 LEU 14 1HB LEU 14 5.202 -1.640 3.012
116 HG LEU 14 HG LEU 14 7.085 -1.699 5.038
117 HD11 LEU 14 1HD1 LEU 14 6.166 -0.619 6.964
118 HD12 LEU 14 2HD1 LEU 14 4.677 -0.214 6.110
119 HD13 LEU 14 3HD1 LEU 14 6.184 0.599 5.689
120 HD21 LEU 14 3HD2 LEU 14 4.990 -2.721 6.323
121 HD22 LEU 14 1HD2 LEU 14 5.673 -3.536 4.916
122 HD23 LEU 14 2HD2 LEU 14 4.226 -2.542 4.744
123 H LYS 15 H LYS 15 8.638 -0.644 0.856
124 HA LYS 15 HA LYS 15 8.107 -3.361 -0.010
125 HB2 LYS 15 2HB LYS 15 9.053 -1.130 -1.168
126 HB3 LYS 15 1HB LYS 15 10.591 -1.898 -0.772
127 HG2 LYS 15 2HG LYS 15 8.413 -3.487 -2.108
128 HG3 LYS 15 1HG LYS 15 9.467 -2.447 -3.067
129 HD2 LYS 15 2HD LYS 15 11.387 -3.648 -1.716
130 HD3 LYS 15 1HD LYS 15 10.162 -4.895 -1.475
131 HE2 LYS 15 2HE LYS 15 10.311 -3.934 -4.258
132 HE3 LYS 15 1HE LYS 15 11.793 -4.733 -3.694
133 HZ1 LYS 15 3HZ LYS 15 9.020 -5.788 -3.555
134 HZ2 LYS 15 1HZ LYS 15 10.335 -6.499 -2.751
135 HZ3 LYS 15 2HZ LYS 15 10.318 -6.426 -4.448
136 H SER 16 H SER 16 10.767 -1.776 1.714
137 HA SER 16 HA SER 16 11.460 -3.919 3.415
138 HB2 SER 16 2HB SER 16 12.389 -4.126 0.620
139 HB3 SER 16 1HB SER 16 13.660 -4.354 1.819
140 HG SER 16 HG SER 16 12.854 -6.292 1.954
141 H PHE 17 H PHE 17 12.174 -0.985 1.819
142 HA PHE 17 HA PHE 17 14.756 -0.237 2.487
143 HB2 PHE 17 2HB PHE 17 12.511 1.662 3.091
144 HB3 PHE 17 1HB PHE 17 13.987 1.939 2.177
145 HD1 PHE 17 2HD PHE 17 14.209 0.537 -0.065
146 HD2 PHE 17 1HD PHE 17 10.505 1.379 1.939
147 HE1 PHE 17 2HE PHE 17 12.971 0.104 -2.170
148 HE2 PHE 17 1HE PHE 17 9.268 0.943 -0.163
149 HZ PHE 17 HZ PHE 17 10.501 0.309 -2.220
150 HN1 NH2 18 2H PHE 17 12.883 0.397 6.116
151 HN2 NH2 18 1H PHE 17 11.982 0.529 4.683
Start of MODEL 18
1 H1 MET 1 1HT MET 1 -15.487 0.912 5.236
2 H2 MET 1 2HT MET 1 -16.180 -0.634 5.103
3 H3 MET 1 3HT MET 1 -16.214 0.432 3.780
4 HA MET 1 HA MET 1 -13.792 -0.846 4.949
5 HB2 MET 1 2HB MET 1 -15.513 -1.201 2.491
6 HB3 MET 1 1HB MET 1 -13.854 -1.796 2.541
7 HG2 MET 1 2HG MET 1 -14.651 -2.841 4.846
8 HG3 MET 1 1HG MET 1 -16.243 -2.709 4.098
9 HE1 MET 1 3HE MET 1 -12.536 -4.912 2.944
10 HE2 MET 1 1HE MET 1 -13.409 -5.567 4.336
11 HE3 MET 1 2HE MET 1 -12.927 -3.874 4.312
12 H ALA 2 H ALA 2 -11.910 0.234 4.470
13 HA ALA 2 HA ALA 2 -11.580 1.841 2.062
14 HB1 ALA 2 1HB ALA 2 -13.052 3.217 3.603
15 HB2 ALA 2 2HB ALA 2 -11.545 4.007 3.137
16 HB3 ALA 2 3HB ALA 2 -11.698 3.271 4.733
17 H THR 3 H THR 3 -9.986 -0.210 2.853
18 HA THR 3 HA THR 3 -7.562 1.139 3.998
19 HB THR 3 HB THR 3 -8.545 -0.500 5.535
20 HG1 THR 3 1HG THR 3 -6.734 -1.951 5.599
21 HG21 THR 3 3HG2 THR 3 -8.305 -2.980 4.499
22 HG22 THR 3 1HG2 THR 3 -8.710 -2.090 3.031
23 HG23 THR 3 2HG2 THR 3 -9.802 -2.052 4.416
24 H LEU 4 H LEU 4 -8.171 1.127 1.214
25 HA LEU 4 HA LEU 4 -6.664 -1.043 -0.043
26 HB2 LEU 4 2HB LEU 4 -8.199 1.397 -0.891
27 HB3 LEU 4 1HB LEU 4 -7.139 0.600 -2.053
28 HG LEU 4 HG LEU 4 -8.363 -1.582 -1.223
29 HD11 LEU 4 1HD1 LEU 4 -9.761 -0.871 0.496
30 HD12 LEU 4 2HD1 LEU 4 -10.862 -0.791 -0.880
31 HD13 LEU 4 3HD1 LEU 4 -10.095 0.678 -0.278
32 HD21 LEU 4 3HD2 LEU 4 -8.436 -0.565 -3.516
33 HD22 LEU 4 1HD2 LEU 4 -9.797 0.427 -2.988
34 HD23 LEU 4 2HD2 LEU 4 -9.955 -1.329 -3.048
35 H GLU 5 H GLU 5 -6.285 2.522 0.190
36 HA GLU 5 HA GLU 5 -3.715 2.675 -0.991
37 HB2 GLU 5 2HB GLU 5 -5.559 4.337 0.425
38 HB3 GLU 5 1HB GLU 5 -3.976 4.556 1.171
39 HG2 GLU 5 2HG GLU 5 -3.804 6.098 -0.541
40 HG3 GLU 5 1HG GLU 5 -3.192 4.669 -1.373
41 H LYS 6 H LYS 6 -4.689 1.959 2.333
42 HA LYS 6 HA LYS 6 -2.081 1.946 3.506
43 HB2 LYS 6 2HB LYS 6 -4.805 1.270 4.158
44 HB3 LYS 6 1HB LYS 6 -3.751 -0.037 4.698
45 HG2 LYS 6 2HG LYS 6 -2.279 2.032 5.554
46 HG3 LYS 6 1HG LYS 6 -3.864 2.804 5.601
47 HD2 LYS 6 2HD LYS 6 -4.466 0.417 6.747
48 HD3 LYS 6 1HD LYS 6 -2.788 0.595 7.263
49 HE2 LYS 6 2HE LYS 6 -4.550 2.998 7.521
50 HE3 LYS 6 1HE LYS 6 -4.782 1.677 8.683
51 HZ1 LYS 6 3HZ LYS 6 -2.240 3.072 8.043
52 HZ2 LYS 6 1HZ LYS 6 -2.327 1.657 8.973
53 HZ3 LYS 6 2HZ LYS 6 -3.068 3.083 9.527
54 H LEU 7 H LEU 7 -3.568 -0.120 1.191
55 HA LEU 7 HA LEU 7 -1.804 -2.399 1.836
56 HB2 LEU 7 2HB LEU 7 -3.478 -3.637 0.886
57 HB3 LEU 7 1HB LEU 7 -4.431 -2.173 1.092
58 HG LEU 7 HG LEU 7 -3.393 -1.548 -1.265
59 HD11 LEU 7 1HD1 LEU 7 -1.988 -3.709 -1.142
60 HD12 LEU 7 2HD1 LEU 7 -2.853 -3.399 -2.647
61 HD13 LEU 7 3HD1 LEU 7 -3.495 -4.559 -1.484
62 HD21 LEU 7 3HD2 LEU 7 -5.783 -2.959 -0.379
63 HD22 LEU 7 1HD2 LEU 7 -5.359 -3.391 -2.036
64 HD23 LEU 7 2HD2 LEU 7 -5.621 -1.702 -1.604
65 H MET 8 H MET 8 -2.231 0.185 -0.483
66 HA MET 8 HA MET 8 -0.312 -0.936 -2.400
67 HB2 MET 8 2HB MET 8 -2.516 0.642 -2.586
68 HB3 MET 8 1HB MET 8 -1.251 1.872 -2.574
69 HG2 MET 8 2HG MET 8 -1.468 1.354 -4.859
70 HG3 MET 8 1HG MET 8 -0.089 0.377 -4.355
71 HE1 MET 8 3HE MET 8 -1.363 -1.236 -7.034
72 HE2 MET 8 1HE MET 8 -1.854 0.427 -6.683
73 HE3 MET 8 2HE MET 8 -3.071 -0.828 -6.901
74 H LYS 9 H LYS 9 -0.514 1.829 -0.151
75 HA LYS 9 HA LYS 9 1.941 3.094 -0.682
76 HB2 LYS 9 2HB LYS 9 -0.093 3.044 1.331
77 HB3 LYS 9 1HB LYS 9 1.468 3.007 2.147
78 HG2 LYS 9 2HG LYS 9 1.509 5.248 1.838
79 HG3 LYS 9 1HG LYS 9 1.867 4.886 0.150
80 HD2 LYS 9 2HD LYS 9 -0.998 4.772 0.915
81 HD3 LYS 9 1HD LYS 9 -0.262 6.375 0.927
82 HE2 LYS 9 2HE LYS 9 0.714 5.354 -1.433
83 HE3 LYS 9 1HE LYS 9 -0.909 4.638 -1.368
84 HZ1 LYS 9 3HZ LYS 9 -1.725 6.894 -0.715
85 HZ2 LYS 9 1HZ LYS 9 -1.150 6.790 -2.306
86 HZ3 LYS 9 2HZ LYS 9 -0.188 7.506 -1.103
87 H ALA 10 H ALA 10 1.357 0.022 0.892
88 HA ALA 10 HA ALA 10 3.903 -0.198 2.229
89 HB1 ALA 10 1HB ALA 10 3.172 -2.706 2.059
90 HB2 ALA 10 2HB ALA 10 1.695 -2.053 1.350
91 HB3 ALA 10 3HB ALA 10 2.163 -1.598 2.989
92 H PHE 11 H PHE 11 2.680 -1.402 -0.912
93 HA PHE 11 HA PHE 11 5.022 -2.786 -1.719
94 HB2 PHE 11 2HB PHE 11 3.035 -1.252 -3.418
95 HB3 PHE 11 1HB PHE 11 3.996 -2.640 -3.922
96 HD1 PHE 11 2HD PHE 11 3.696 -4.242 -1.309
97 HD2 PHE 11 1HD PHE 11 0.857 -2.177 -3.785
98 HE1 PHE 11 2HE PHE 11 1.898 -5.748 -0.506
99 HE2 PHE 11 1HE PHE 11 -0.937 -3.684 -2.983
100 HZ PHE 11 HZ PHE 11 -0.419 -5.471 -1.344
101 H GLU 12 H GLU 12 4.383 0.616 -1.497
102 HA GLU 12 HA GLU 12 6.796 1.227 -3.164
103 HB2 GLU 12 2HB GLU 12 4.142 2.343 -2.799
104 HB3 GLU 12 1HB GLU 12 5.377 3.567 -2.513
105 HG2 GLU 12 2HG GLU 12 6.425 3.018 -4.683
106 HG3 GLU 12 1HG GLU 12 5.181 1.802 -4.973
107 H SER 13 H SER 13 5.186 2.016 -0.082
108 HA SER 13 HA SER 13 7.378 3.648 0.880
109 HB2 SER 13 2HB SER 13 4.896 3.754 1.473
110 HB3 SER 13 1HB SER 13 5.178 2.335 2.478
111 HG SER 13 HG SER 13 5.424 4.647 3.347
112 H LEU 14 H LEU 14 6.513 0.263 1.135
113 HA LEU 14 HA LEU 14 8.014 -0.525 3.396
114 HB2 LEU 14 2HB LEU 14 6.481 -1.960 2.099
115 HB3 LEU 14 1HB LEU 14 7.620 -1.963 0.752
116 HG LEU 14 HG LEU 14 9.330 -2.855 2.503
117 HD11 LEU 14 1HD1 LEU 14 8.008 -4.309 4.202
118 HD12 LEU 14 2HD1 LEU 14 6.675 -3.198 3.888
119 HD13 LEU 14 3HD1 LEU 14 8.192 -2.591 4.550
120 HD21 LEU 14 3HD2 LEU 14 8.407 -4.173 0.619
121 HD22 LEU 14 1HD2 LEU 14 6.996 -4.574 1.599
122 HD23 LEU 14 2HD2 LEU 14 8.591 -5.167 2.065
123 H LYS 15 H LYS 15 9.202 -0.935 0.030
124 HA LYS 15 HA LYS 15 11.946 -0.260 1.041
125 HB2 LYS 15 2HB LYS 15 11.446 -2.703 0.657
126 HB3 LYS 15 1HB LYS 15 11.195 -2.322 -1.047
127 HG2 LYS 15 2HG LYS 15 13.620 -1.102 -0.499
128 HG3 LYS 15 1HG LYS 15 13.702 -2.582 0.455
129 HD2 LYS 15 2HD LYS 15 13.596 -3.956 -1.405
130 HD3 LYS 15 1HD LYS 15 12.698 -2.771 -2.356
131 HE2 LYS 15 2HE LYS 15 15.076 -1.445 -1.912
132 HE3 LYS 15 1HE LYS 15 15.610 -3.127 -2.099
133 HZ1 LYS 15 3HZ LYS 15 15.409 -2.143 -4.266
134 HZ2 LYS 15 1HZ LYS 15 13.833 -1.611 -3.937
135 HZ3 LYS 15 2HZ LYS 15 14.156 -3.274 -4.073
136 H SER 16 H SER 16 9.653 -0.137 -1.649
137 HA SER 16 HA SER 16 11.346 0.956 -3.649
138 HB2 SER 16 2HB SER 16 8.655 0.285 -3.286
139 HB3 SER 16 1HB SER 16 8.630 2.003 -3.670
140 HG SER 16 HG SER 16 8.945 -0.006 -5.326
141 H PHE 17 H PHE 17 10.217 2.390 -0.726
142 HA PHE 17 HA PHE 17 9.904 5.107 -1.366
143 HB2 PHE 17 2HB PHE 17 10.432 5.475 0.972
144 HB3 PHE 17 1HB PHE 17 9.582 3.938 0.846
145 HD1 PHE 17 2HD PHE 17 12.961 5.478 1.143
146 HD2 PHE 17 1HD PHE 17 10.620 1.895 1.505
147 HE1 PHE 17 2HE PHE 17 14.879 4.334 2.220
148 HE2 PHE 17 1HE PHE 17 12.538 0.753 2.585
149 HZ PHE 17 HZ PHE 17 14.668 1.972 2.940
150 HN1 NH2 18 2H PHE 17 13.078 6.614 -1.896
151 HN2 NH2 18 1H PHE 17 11.416 6.862 -1.656
Start of MODEL 19
1 H1 MET 1 1HT MET 1 -14.939 0.143 4.721
2 H2 MET 1 2HT MET 1 -15.469 -1.007 5.854
3 H3 MET 1 3HT MET 1 -15.088 -1.485 4.268
4 HA MET 1 HA MET 1 -13.097 -0.319 6.143
5 HB2 MET 1 2HB MET 1 -14.474 -2.754 6.311
6 HB3 MET 1 1HB MET 1 -12.937 -3.176 5.555
7 HG2 MET 1 2HG MET 1 -11.900 -1.666 7.430
8 HG3 MET 1 1HG MET 1 -13.439 -1.940 8.249
9 HE1 MET 1 3HE MET 1 -11.566 -4.314 10.331
10 HE2 MET 1 1HE MET 1 -12.100 -2.653 10.043
11 HE3 MET 1 2HE MET 1 -10.491 -3.164 9.540
12 H ALA 2 H ALA 2 -12.997 0.734 3.717
13 HA ALA 2 HA ALA 2 -11.627 -0.979 1.759
14 HB1 ALA 2 1HB ALA 2 -13.119 0.683 0.925
15 HB2 ALA 2 2HB ALA 2 -11.507 1.315 0.590
16 HB3 ALA 2 3HB ALA 2 -12.428 1.931 1.963
17 H THR 3 H THR 3 -9.644 -1.574 2.810
18 HA THR 3 HA THR 3 -7.802 0.665 3.551
19 HB THR 3 HB THR 3 -6.562 -1.326 4.612
20 HG1 THR 3 1HG THR 3 -7.670 -3.209 4.733
21 HG21 THR 3 3HG2 THR 3 -8.215 0.322 5.730
22 HG22 THR 3 1HG2 THR 3 -7.878 -1.195 6.566
23 HG23 THR 3 2HG2 THR 3 -9.374 -1.006 5.651
24 H LEU 4 H LEU 4 -8.207 0.197 0.790
25 HA LEU 4 HA LEU 4 -6.201 -1.589 -0.290
26 HB2 LEU 4 2HB LEU 4 -8.292 0.235 -1.180
27 HB3 LEU 4 1HB LEU 4 -6.853 0.375 -2.190
28 HG LEU 4 HG LEU 4 -7.670 -2.391 -1.501
29 HD11 LEU 4 1HD1 LEU 4 -9.247 -1.998 -3.686
30 HD12 LEU 4 2HD1 LEU 4 -9.470 -0.461 -2.849
31 HD13 LEU 4 3HD1 LEU 4 -9.852 -1.975 -2.029
32 HD21 LEU 4 3HD2 LEU 4 -6.619 -2.866 -3.492
33 HD22 LEU 4 1HD2 LEU 4 -5.853 -1.311 -3.170
34 HD23 LEU 4 2HD2 LEU 4 -7.221 -1.406 -4.278
35 H GLU 5 H GLU 5 -6.389 1.992 -0.031
36 HA GLU 5 HA GLU 5 -3.793 2.541 -1.029
37 HB2 GLU 5 2HB GLU 5 -5.874 3.860 0.611
38 HB3 GLU 5 1HB GLU 5 -4.247 4.502 0.833
39 HG2 GLU 5 2HG GLU 5 -4.883 5.771 -0.984
40 HG3 GLU 5 1HG GLU 5 -4.246 4.367 -1.840
41 H LYS 6 H LYS 6 -4.891 1.680 2.221
42 HA LYS 6 HA LYS 6 -2.383 2.044 3.562
43 HB2 LYS 6 2HB LYS 6 -5.028 0.860 4.009
44 HB3 LYS 6 1HB LYS 6 -3.746 -0.044 4.815
45 HG2 LYS 6 2HG LYS 6 -3.959 2.964 5.022
46 HG3 LYS 6 1HG LYS 6 -4.787 1.886 6.147
47 HD2 LYS 6 2HD LYS 6 -2.830 1.182 7.132
48 HD3 LYS 6 1HD LYS 6 -1.895 1.363 5.647
49 HE2 LYS 6 2HE LYS 6 -1.100 3.141 6.991
50 HE3 LYS 6 1HE LYS 6 -2.337 3.933 5.994
51 HZ1 LYS 6 3HZ LYS 6 -2.659 4.393 8.366
52 HZ2 LYS 6 1HZ LYS 6 -2.808 2.733 8.673
53 HZ3 LYS 6 2HZ LYS 6 -3.966 3.525 7.714
54 H LEU 7 H LEU 7 -3.429 -0.215 1.195
55 HA LEU 7 HA LEU 7 -1.376 -2.196 1.987
56 HB2 LEU 7 2HB LEU 7 -2.882 -3.722 1.209
57 HB3 LEU 7 1HB LEU 7 -4.030 -2.391 1.248
58 HG LEU 7 HG LEU 7 -3.141 -1.862 -1.143
59 HD11 LEU 7 1HD1 LEU 7 -1.949 -3.475 -2.273
60 HD12 LEU 7 2HD1 LEU 7 -2.628 -4.793 -1.318
61 HD13 LEU 7 3HD1 LEU 7 -1.344 -3.789 -0.646
62 HD21 LEU 7 3HD2 LEU 7 -4.596 -4.389 -1.383
63 HD22 LEU 7 1HD2 LEU 7 -5.115 -2.756 -1.800
64 HD23 LEU 7 2HD2 LEU 7 -5.282 -3.339 -0.144
65 H MET 8 H MET 8 -2.273 0.109 -0.495
66 HA MET 8 HA MET 8 -0.365 -0.795 -2.484
67 HB2 MET 8 2HB MET 8 -2.547 0.539 -2.758
68 HB3 MET 8 1HB MET 8 -1.625 1.939 -2.208
69 HG2 MET 8 2HG MET 8 -1.516 1.969 -4.601
70 HG3 MET 8 1HG MET 8 0.057 1.398 -4.043
71 HE1 MET 8 3HE MET 8 -1.552 1.019 -6.976
72 HE2 MET 8 1HE MET 8 -0.740 -0.496 -7.396
73 HE3 MET 8 2HE MET 8 0.161 0.807 -6.624
74 H LYS 9 H LYS 9 -0.489 2.021 -0.270
75 HA LYS 9 HA LYS 9 2.016 3.175 -0.852
76 HB2 LYS 9 2HB LYS 9 0.056 3.106 1.349
77 HB3 LYS 9 1HB LYS 9 1.691 3.516 1.867
78 HG2 LYS 9 2HG LYS 9 1.136 5.625 1.226
79 HG3 LYS 9 1HG LYS 9 1.446 5.031 -0.406
80 HD2 LYS 9 2HD LYS 9 -0.802 4.832 -0.911
81 HD3 LYS 9 1HD LYS 9 -1.261 4.552 0.769
82 HE2 LYS 9 2HE LYS 9 -0.677 6.969 1.248
83 HE3 LYS 9 1HE LYS 9 -0.493 7.199 -0.501
84 HZ1 LYS 9 3HZ LYS 9 -2.759 7.683 0.168
85 HZ2 LYS 9 1HZ LYS 9 -2.909 6.151 0.878
86 HZ3 LYS 9 2HZ LYS 9 -2.726 6.290 -0.804
87 H ALA 10 H ALA 10 1.314 0.200 0.836
88 HA ALA 10 HA ALA 10 3.784 -0.029 2.295
89 HB1 ALA 10 1HB ALA 10 2.108 -2.294 1.202
90 HB2 ALA 10 2HB ALA 10 1.526 -1.276 2.520
91 HB3 ALA 10 3HB ALA 10 2.995 -2.231 2.725
92 H PHE 11 H PHE 11 2.703 -1.631 -0.729
93 HA PHE 11 HA PHE 11 5.118 -2.885 -1.424
94 HB2 PHE 11 2HB PHE 11 3.080 -1.573 -3.246
95 HB3 PHE 11 1HB PHE 11 4.138 -2.916 -3.665
96 HD1 PHE 11 2HD PHE 11 3.712 -4.053 -0.642
97 HD2 PHE 11 1HD PHE 11 1.149 -3.013 -3.930
98 HE1 PHE 11 2HE PHE 11 1.994 -5.630 0.196
99 HE2 PHE 11 1HE PHE 11 -0.566 -4.591 -3.092
100 HZ PHE 11 HZ PHE 11 -0.143 -5.903 -1.030
101 H GLU 12 H GLU 12 4.326 0.505 -1.518
102 HA GLU 12 HA GLU 12 6.698 1.083 -3.237
103 HB2 GLU 12 2HB GLU 12 4.041 2.159 -2.825
104 HB3 GLU 12 1HB GLU 12 5.249 3.420 -2.589
105 HG2 GLU 12 2HG GLU 12 6.252 2.905 -4.769
106 HG3 GLU 12 1HG GLU 12 5.097 1.593 -5.005
107 H SER 13 H SER 13 5.211 2.004 -0.119
108 HA SER 13 HA SER 13 7.534 3.595 0.644
109 HB2 SER 13 2HB SER 13 5.113 4.059 1.203
110 HB3 SER 13 1HB SER 13 5.173 2.681 2.299
111 HG SER 13 HG SER 13 6.080 5.202 2.643
112 H LEU 14 H LEU 14 6.379 0.339 1.239
113 HA LEU 14 HA LEU 14 7.821 -0.308 3.594
114 HB2 LEU 14 2HB LEU 14 6.097 -1.677 2.346
115 HB3 LEU 14 1HB LEU 14 7.349 -2.084 1.177
116 HG LEU 14 HG LEU 14 6.953 -3.802 3.014
117 HD11 LEU 14 1HD1 LEU 14 9.273 -3.026 1.734
118 HD12 LEU 14 2HD1 LEU 14 9.077 -4.495 2.690
119 HD13 LEU 14 3HD1 LEU 14 9.756 -3.045 3.430
120 HD21 LEU 14 3HD2 LEU 14 6.772 -1.898 4.775
121 HD22 LEU 14 1HD2 LEU 14 8.535 -1.932 4.774
122 HD23 LEU 14 2HD2 LEU 14 7.624 -3.372 5.230
123 H LYS 15 H LYS 15 8.932 0.111 0.292
124 HA LYS 15 HA LYS 15 11.483 -1.210 0.545
125 HB2 LYS 15 2HB LYS 15 10.134 0.748 -1.262
126 HB3 LYS 15 1HB LYS 15 11.885 0.584 -1.392
127 HG2 LYS 15 2HG LYS 15 10.353 -1.955 -1.248
128 HG3 LYS 15 1HG LYS 15 10.150 -1.013 -2.726
129 HD2 LYS 15 2HD LYS 15 12.113 -1.845 -3.452
130 HD3 LYS 15 1HD LYS 15 12.912 -0.944 -2.164
131 HE2 LYS 15 2HE LYS 15 12.165 -2.997 -0.669
132 HE3 LYS 15 1HE LYS 15 12.117 -3.839 -2.230
133 HZ1 LYS 15 3HZ LYS 15 14.396 -2.236 -1.194
134 HZ2 LYS 15 1HZ LYS 15 14.343 -3.009 -2.702
135 HZ3 LYS 15 2HZ LYS 15 14.340 -3.932 -1.276
136 H SER 16 H SER 16 10.767 2.271 0.370
137 HA SER 16 HA SER 16 12.077 3.182 2.685
138 HB2 SER 16 2HB SER 16 14.147 2.261 2.037
139 HB3 SER 16 1HB SER 16 13.854 2.575 0.329
140 HG SER 16 HG SER 16 14.400 4.474 2.371
141 H PHE 17 H PHE 17 11.464 3.646 -0.711
142 HA PHE 17 HA PHE 17 11.435 6.580 -0.500
143 HB2 PHE 17 2HB PHE 17 10.782 6.224 -3.006
144 HB3 PHE 17 1HB PHE 17 12.417 5.807 -2.500
145 HD1 PHE 17 2HD PHE 17 9.001 4.313 -2.941
146 HD2 PHE 17 1HD PHE 17 13.245 3.645 -2.852
147 HE1 PHE 17 2HE PHE 17 8.653 1.968 -3.677
148 HE2 PHE 17 1HE PHE 17 12.894 1.301 -3.585
149 HZ PHE 17 HZ PHE 17 10.597 0.467 -4.003
150 HN1 NH2 18 2H PHE 17 7.919 7.120 -0.706
151 HN2 NH2 18 1H PHE 17 9.457 7.827 -0.825
Start of MODEL 20
1 H1 MET 1 1HT MET 1 -12.957 -3.560 1.375
2 H2 MET 1 2HT MET 1 -11.447 -3.355 0.624
3 H3 MET 1 3HT MET 1 -12.737 -4.053 -0.233
4 HA MET 1 HA MET 1 -12.281 -1.676 -0.822
5 HB2 MET 1 2HB MET 1 -14.730 -1.201 -0.781
6 HB3 MET 1 1HB MET 1 -14.386 -2.860 -1.268
7 HG2 MET 1 2HG MET 1 -14.998 -3.726 0.861
8 HG3 MET 1 1HG MET 1 -14.959 -2.130 1.609
9 HE1 MET 1 3HE MET 1 -17.786 -1.767 2.459
10 HE2 MET 1 1HE MET 1 -18.009 -0.505 1.239
11 HE3 MET 1 2HE MET 1 -16.420 -0.777 1.949
12 H ALA 2 H ALA 2 -11.370 -2.012 2.058
13 HA ALA 2 HA ALA 2 -12.157 0.716 2.967
14 HB1 ALA 2 1HB ALA 2 -12.596 -0.228 5.232
15 HB2 ALA 2 2HB ALA 2 -12.329 -1.847 4.584
16 HB3 ALA 2 3HB ALA 2 -13.695 -0.885 4.018
17 H THR 3 H THR 3 -9.664 -0.812 1.935
18 HA THR 3 HA THR 3 -7.736 0.487 3.672
19 HB THR 3 HB THR 3 -8.392 -1.401 5.103
20 HG1 THR 3 1HG THR 3 -5.893 -1.918 3.875
21 HG21 THR 3 3HG2 THR 3 -8.346 -2.806 2.559
22 HG22 THR 3 1HG2 THR 3 -9.083 -3.288 4.087
23 HG23 THR 3 2HG2 THR 3 -7.387 -3.652 3.774
24 H LEU 4 H LEU 4 -8.172 0.547 0.891
25 HA LEU 4 HA LEU 4 -6.342 -1.262 -0.474
26 HB2 LEU 4 2HB LEU 4 -8.132 1.051 -1.120
27 HB3 LEU 4 1HB LEU 4 -6.889 0.620 -2.292
28 HG LEU 4 HG LEU 4 -9.158 -0.505 -2.617
29 HD11 LEU 4 1HD1 LEU 4 -6.657 -1.366 -3.185
30 HD12 LEU 4 2HD1 LEU 4 -8.108 -2.270 -3.619
31 HD13 LEU 4 3HD1 LEU 4 -7.207 -2.694 -2.163
32 HD21 LEU 4 3HD2 LEU 4 -9.745 -2.343 -1.164
33 HD22 LEU 4 1HD2 LEU 4 -9.478 -0.932 -0.139
34 HD23 LEU 4 2HD2 LEU 4 -8.238 -2.180 -0.262
35 H GLU 5 H GLU 5 -6.331 2.300 0.061
36 HA GLU 5 HA GLU 5 -3.702 2.755 -0.899
37 HB2 GLU 5 2HB GLU 5 -5.694 4.082 0.861
38 HB3 GLU 5 1HB GLU 5 -4.030 4.638 1.041
39 HG2 GLU 5 2HG GLU 5 -4.042 4.736 -1.570
40 HG3 GLU 5 1HG GLU 5 -5.798 4.736 -1.391
41 H LYS 6 H LYS 6 -4.870 1.685 2.250
42 HA LYS 6 HA LYS 6 -2.363 1.857 3.644
43 HB2 LYS 6 2HB LYS 6 -5.068 0.983 4.060
44 HB3 LYS 6 1HB LYS 6 -3.984 -0.299 4.599
45 HG2 LYS 6 2HG LYS 6 -2.686 1.747 5.703
46 HG3 LYS 6 1HG LYS 6 -4.284 2.491 5.635
47 HD2 LYS 6 2HD LYS 6 -5.082 0.205 6.660
48 HD3 LYS 6 1HD LYS 6 -3.394 0.057 7.152
49 HE2 LYS 6 2HE LYS 6 -4.040 1.284 8.971
50 HE3 LYS 6 1HE LYS 6 -3.981 2.667 7.861
51 HZ1 LYS 6 3HZ LYS 6 -6.258 2.330 7.282
52 HZ2 LYS 6 1HZ LYS 6 -6.167 2.385 8.976
53 HZ3 LYS 6 2HZ LYS 6 -6.341 0.892 8.183
54 H LEU 7 H LEU 7 -3.472 -0.161 1.108
55 HA LEU 7 HA LEU 7 -1.555 -2.313 1.790
56 HB2 LEU 7 2HB LEU 7 -3.150 -3.686 0.914
57 HB3 LEU 7 1HB LEU 7 -4.211 -2.286 1.014
58 HG LEU 7 HG LEU 7 -3.262 -1.670 -1.322
59 HD11 LEU 7 1HD1 LEU 7 -1.636 -3.825 -0.860
60 HD12 LEU 7 2HD1 LEU 7 -2.015 -3.198 -2.463
61 HD13 LEU 7 3HD1 LEU 7 -2.921 -4.565 -1.814
62 HD21 LEU 7 3HD2 LEU 7 -4.837 -4.131 -1.680
63 HD22 LEU 7 1HD2 LEU 7 -5.232 -2.470 -2.120
64 HD23 LEU 7 2HD2 LEU 7 -5.506 -3.033 -0.471
65 H MET 8 H MET 8 -2.218 0.250 -0.492
66 HA MET 8 HA MET 8 -0.365 -0.701 -2.533
67 HB2 MET 8 2HB MET 8 -2.532 0.846 -2.581
68 HB3 MET 8 1HB MET 8 -1.340 2.119 -2.322
69 HG2 MET 8 2HG MET 8 -0.059 0.887 -4.279
70 HG3 MET 8 1HG MET 8 -1.669 0.285 -4.669
71 HE1 MET 8 3HE MET 8 -3.817 3.349 -5.052
72 HE2 MET 8 1HE MET 8 -3.644 1.758 -4.298
73 HE3 MET 8 2HE MET 8 -3.525 1.925 -6.048
74 H LYS 9 H LYS 9 -0.390 2.094 -0.282
75 HA LYS 9 HA LYS 9 2.166 3.119 -0.827
76 HB2 LYS 9 2HB LYS 9 0.705 2.881 1.825
77 HB3 LYS 9 1HB LYS 9 1.964 4.048 1.450
78 HG2 LYS 9 2HG LYS 9 -0.826 3.891 0.313
79 HG3 LYS 9 1HG LYS 9 -0.065 5.241 1.146
80 HD2 LYS 9 2HD LYS 9 0.686 4.189 -1.599
81 HD3 LYS 9 1HD LYS 9 -0.167 5.693 -1.262
82 HE2 LYS 9 2HE LYS 9 1.755 6.683 -0.246
83 HE3 LYS 9 1HE LYS 9 2.589 5.119 -0.131
84 HZ1 LYS 9 3HZ LYS 9 2.713 4.967 -2.480
85 HZ2 LYS 9 1HZ LYS 9 3.261 6.521 -2.079
86 HZ3 LYS 9 2HZ LYS 9 1.694 6.308 -2.700
87 H ALA 10 H ALA 10 1.289 0.192 0.879
88 HA ALA 10 HA ALA 10 3.739 -0.177 2.338
89 HB1 ALA 10 1HB ALA 10 1.426 -1.281 2.600
90 HB2 ALA 10 2HB ALA 10 2.827 -2.341 2.765
91 HB3 ALA 10 3HB ALA 10 1.904 -2.326 1.262
92 H PHE 11 H PHE 11 2.621 -1.245 -0.879
93 HA PHE 11 HA PHE 11 4.964 -2.816 -1.481
94 HB2 PHE 11 2HB PHE 11 2.952 -1.446 -3.289
95 HB3 PHE 11 1HB PHE 11 3.981 -2.804 -3.730
96 HD1 PHE 11 2HD PHE 11 3.507 -3.891 -0.655
97 HD2 PHE 11 1HD PHE 11 1.037 -2.919 -4.037
98 HE1 PHE 11 2HE PHE 11 1.768 -5.453 0.163
99 HE2 PHE 11 1HE PHE 11 -0.698 -4.486 -3.216
100 HZ PHE 11 HZ PHE 11 -0.333 -5.754 -1.118
101 H GLU 12 H GLU 12 4.375 0.579 -1.426
102 HA GLU 12 HA GLU 12 6.702 1.089 -3.241
103 HB2 GLU 12 2HB GLU 12 4.103 2.294 -2.717
104 HB3 GLU 12 1HB GLU 12 5.394 3.485 -2.582
105 HG2 GLU 12 2HG GLU 12 5.218 3.619 -4.842
106 HG3 GLU 12 1HG GLU 12 6.151 2.123 -4.838
107 H SER 13 H SER 13 5.327 2.028 -0.081
108 HA SER 13 HA SER 13 7.802 3.431 0.649
109 HB2 SER 13 2HB SER 13 5.167 3.845 1.132
110 HB3 SER 13 1HB SER 13 5.625 2.997 2.606
111 HG SER 13 HG SER 13 6.094 5.078 3.027
112 H LEU 14 H LEU 14 6.286 0.350 1.252
113 HA LEU 14 HA LEU 14 8.057 -0.200 3.547
114 HB2 LEU 14 2HB LEU 14 5.473 -0.828 2.975
115 HB3 LEU 14 1HB LEU 14 6.289 -2.301 2.450
116 HG LEU 14 HG LEU 14 7.556 -2.014 4.769
117 HD11 LEU 14 1HD1 LEU 14 5.036 -1.175 5.942
118 HD12 LEU 14 2HD1 LEU 14 5.684 0.082 4.888
119 HD13 LEU 14 3HD1 LEU 14 6.658 -0.541 6.221
120 HD21 LEU 14 3HD2 LEU 14 5.926 -3.545 5.755
121 HD22 LEU 14 1HD2 LEU 14 6.111 -3.925 4.042
122 HD23 LEU 14 2HD2 LEU 14 4.699 -3.027 4.600
123 H LYS 15 H LYS 15 9.311 0.107 0.917
124 HA LYS 15 HA LYS 15 9.890 -2.502 -0.212
125 HB2 LYS 15 2HB LYS 15 10.106 0.006 -1.085
126 HB3 LYS 15 1HB LYS 15 11.740 -0.163 -0.441
127 HG2 LYS 15 2HG LYS 15 12.234 -1.994 -1.878
128 HG3 LYS 15 1HG LYS 15 10.534 -2.224 -2.294
129 HD2 LYS 15 2HD LYS 15 10.730 0.263 -3.166
130 HD3 LYS 15 1HD LYS 15 12.450 -0.123 -3.247
131 HE2 LYS 15 2HE LYS 15 10.730 -2.240 -4.365
132 HE3 LYS 15 1HE LYS 15 10.641 -0.700 -5.244
133 HZ1 LYS 15 3HZ LYS 15 13.064 -2.269 -4.568
134 HZ2 LYS 15 1HZ LYS 15 13.138 -0.647 -5.059
135 HZ3 LYS 15 2HZ LYS 15 12.509 -1.824 -6.110
136 H SER 16 H SER 16 11.530 -0.353 2.064
137 HA SER 16 HA SER 16 12.734 -2.325 3.674
138 HB2 SER 16 2HB SER 16 14.007 -1.861 1.072
139 HB3 SER 16 1HB SER 16 15.123 -1.635 2.416
140 HG SER 16 HG SER 16 14.084 -3.910 1.400
141 H PHE 17 H PHE 17 13.022 0.780 2.116
142 HA PHE 17 HA PHE 17 14.669 2.004 4.179
143 HB2 PHE 17 2HB PHE 17 13.767 4.115 2.874
144 HB3 PHE 17 1HB PHE 17 14.901 3.021 2.087
145 HD1 PHE 17 2HD PHE 17 11.182 3.292 2.641
146 HD2 PHE 17 1HD PHE 17 14.381 2.345 -0.066
147 HE1 PHE 17 2HE PHE 17 9.537 2.837 0.845
148 HE2 PHE 17 1HE PHE 17 12.732 1.890 -1.858
149 HZ PHE 17 HZ PHE 17 10.309 2.139 -1.403
150 HN1 NH2 18 2H PHE 17 12.224 3.771 6.136
151 HN2 NH2 18 1H PHE 17 13.831 3.818 5.591