Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1455 | 1alf RC | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 175 H/Q atoms
Start of MODEL 1
1 1H SER 1 2H SER 1 15.518 -0.577 -6.534
2 2H SER 1 3H SER 1 15.843 -1.749 -7.695
3 3H SER 1 1H SER 1 14.669 -0.580 -7.985
4 HA SER 1 HA SER 1 13.511 -2.498 -7.493
5 1HB SER 1 1HB SER 1 15.794 -2.894 -5.592
6 2HB SER 1 2HB SER 1 14.246 -3.315 -4.876
7 HG SER 1 HG SER 1 13.913 -4.570 -6.922
8 H ALA 2 H ALA 2 11.934 -2.884 -5.787
9 HA ALA 2 HA ALA 2 11.448 -0.714 -3.834
10 1HB ALA 2 2HB ALA 2 11.010 0.587 -5.958
11 2HB ALA 2 3HB ALA 2 9.817 -0.625 -6.482
12 3HB ALA 2 1HB ALA 2 9.499 0.383 -5.050
13 H LYS 3 H LYS 3 11.294 -2.522 -2.612
14 HA LYS 3 HA LYS 3 8.935 -4.344 -3.118
15 1HB LYS 3 1HB LYS 3 11.268 -5.096 -2.186
16 2HB LYS 3 2HB LYS 3 10.846 -4.292 -0.680
17 1HG LYS 3 1HG LYS 3 8.762 -5.802 -0.503
18 2HG LYS 3 2HG LYS 3 9.251 -6.609 -1.992
19 1HD LYS 3 1HD LYS 3 10.111 -8.074 -0.389
20 2HD LYS 3 2HD LYS 3 11.531 -7.027 -0.579
21 1HE LYS 3 1HE LYS 3 9.991 -5.572 1.304
22 2HE LYS 3 2HE LYS 3 9.656 -7.244 1.781
23 1HZ LYS 3 3HZ LYS 3 12.327 -7.279 1.257
24 2HZ LYS 3 1HZ LYS 3 12.108 -5.769 1.963
25 3HZ LYS 3 2HZ LYS 3 11.619 -7.156 2.777
26 H MET 4 H MET 4 9.956 -1.791 -0.964
27 HA MET 4 HA MET 4 7.285 -2.003 0.491
28 1HB MET 4 1HB MET 4 9.576 -0.045 1.172
29 2HB MET 4 2HB MET 4 8.278 -0.594 2.220
30 1HG MET 4 2HG MET 4 9.276 -2.947 2.199
31 2HG MET 4 1HG MET 4 10.663 -2.323 1.284
32 1HE MET 4 1HE MET 4 9.984 -3.750 3.987
33 2HE MET 4 3HE MET 4 11.736 -3.475 4.246
34 3HE MET 4 2HE MET 4 10.552 -2.905 5.461
35 NH1 ARG 5 NH2 ARG 5 13.421 2.774 -1.181
36 NH2 ARG 5 NH1 ARG 5 13.121 0.576 -1.141
37 H ARG 5 H ARG 5 8.951 -0.105 -1.839
38 HA ARG 5 HA ARG 5 7.126 2.231 -1.522
39 1HB ARG 5 1HB ARG 5 9.234 1.355 -3.589
40 2HB ARG 5 2HB ARG 5 8.163 2.689 -3.978
41 1HG ARG 5 1HG ARG 5 9.220 4.152 -2.425
42 2HG ARG 5 2HG ARG 5 9.520 2.869 -1.257
43 1HD ARG 5 1HD ARG 5 11.052 3.015 -3.933
44 2HD ARG 5 2HD ARG 5 11.580 3.917 -2.488
45 HE ARG 5 HE ARG 5 11.159 0.894 -2.490
46 1HH1 ARG 5 2HH2 ARG 5 13.039 3.652 -1.536
47 2HH1 ARG 5 1HH2 ARG 5 14.248 2.607 -0.610
48 1HH2 ARG 5 1HH1 ARG 5 12.506 -0.170 -1.471
49 2HH2 ARG 5 2HH1 ARG 5 13.964 0.529 -0.573
50 H GLU 6 H GLU 6 7.446 -0.431 -3.827
51 HA GLU 6 HA GLU 6 5.024 0.281 -5.358
52 1HB GLU 6 1HB GLU 6 6.320 -2.489 -4.900
53 2HB GLU 6 2HB GLU 6 5.141 -2.134 -6.139
54 1HG GLU 6 1HG GLU 6 7.989 -0.908 -6.000
55 2HG GLU 6 2HG GLU 6 7.538 -2.255 -7.014
56 CH2 TRP 7 CH2 TRP 7 2.703 -1.418 4.303
57 H TRP 7 H TRP 7 5.665 -1.590 -2.482
58 HA TRP 7 HA TRP 7 2.850 -2.518 -2.178
59 1HB TRP 7 1HB TRP 7 4.728 -3.752 -1.080
60 2HB TRP 7 2HB TRP 7 5.282 -2.314 -0.253
61 HD1 TRP 7 HD1 TRP 7 2.840 -5.208 0.137
62 HE1 TRP 7 HE1 TRP 7 1.725 -5.202 2.550
63 HE3 TRP 7 HE3 TRP 7 4.421 -0.556 1.478
64 HZ2 TRP 7 HZ2 TRP 7 1.654 -3.276 4.641
65 HZ3 TRP 7 HZ3 TRP 7 3.821 0.322 3.713
66 HH2 TRP 7 HH2 TRP 7 2.454 -1.012 5.272
67 H PHE 8 H PHE 8 4.651 0.325 -1.315
68 HA PHE 8 HA PHE 8 2.897 1.398 0.727
69 1HB PHE 8 1HB PHE 8 5.144 2.404 -0.345
70 2HB PHE 8 2HB PHE 8 4.104 3.122 -1.542
71 HD1 PHE 8 HD1 PHE 8 1.739 3.981 0.134
72 HD2 PHE 8 HD2 PHE 8 5.958 4.277 0.893
73 HE1 PHE 8 HE1 PHE 8 1.335 5.886 1.636
74 HE2 PHE 8 HE2 PHE 8 5.548 6.201 2.380
75 HZ PHE 8 HZ PHE 8 3.238 7.019 2.742
76 H SER 9 H SER 9 2.677 1.405 -2.776
77 HA SER 9 HA SER 9 0.187 3.012 -2.825
78 1HB SER 9 2HB SER 9 1.747 2.749 -4.849
79 2HB SER 9 1HB SER 9 1.259 1.066 -4.970
80 HG SER 9 HG SER 9 -0.568 1.623 -5.836
81 H GLU 10 H GLU 10 0.974 -0.369 -2.606
82 HA GLU 10 HA GLU 10 -1.943 -1.128 -2.674
83 1HB GLU 10 1HB GLU 10 0.498 -2.862 -1.915
84 2HB GLU 10 2HB GLU 10 -1.067 -3.448 -2.426
85 1HG GLU 10 1HG GLU 10 -0.188 -1.830 -4.640
86 2HG GLU 10 2HG GLU 10 1.284 -2.586 -4.085
87 H THR 11 H THR 11 -0.440 0.531 -0.487
88 HA THR 11 HA THR 11 -1.653 -1.065 1.830
89 HB THR 11 HB THR 11 0.620 1.028 1.787
90 HG1 THR 11 HG1 THR 11 1.812 -0.720 2.565
91 1HG2 THR 11 3HG2 THR 11 -0.486 -0.463 4.280
92 2HG2 THR 11 1HG2 THR 11 0.984 0.543 4.244
93 3HG2 THR 11 2HG2 THR 11 -0.594 1.292 4.003
94 H PHE 12 H PHE 12 -1.339 2.039 0.252
95 HA PHE 12 HA PHE 12 -3.143 3.453 2.165
96 1HB PHE 12 1HB PHE 12 -1.384 4.466 0.424
97 2HB PHE 12 2HB PHE 12 -2.605 4.207 -0.789
98 HD1 PHE 12 HD1 PHE 12 -2.486 5.735 2.679
99 HD2 PHE 12 HD2 PHE 12 -3.888 6.099 -1.367
100 HE1 PHE 12 HE1 PHE 12 -3.401 7.957 3.197
101 HE2 PHE 12 HE2 PHE 12 -4.816 8.321 -0.836
102 HZ PHE 12 HZ PHE 12 -4.589 9.248 1.449
103 H GLN 13 H GLN 13 -3.442 1.845 -0.946
104 HA GLN 13 HA GLN 13 -6.389 2.365 -1.062
105 1HB GLN 13 1HB GLN 13 -4.800 0.240 -2.641
106 2HB GLN 13 2HB GLN 13 -6.323 0.997 -3.104
107 1HG GLN 13 1HG GLN 13 -4.366 3.162 -2.833
108 2HG GLN 13 2HG GLN 13 -3.556 1.873 -3.690
109 1HE2 GLN 13 2HE2 GLN 13 -6.175 2.430 -6.399
110 2HE2 GLN 13 1HE2 GLN 13 -5.873 1.024 -5.235
111 H LYS 14 H LYS 14 -4.341 0.093 0.448
112 HA LYS 14 HA LYS 14 -6.420 -2.001 0.755
113 1HB LYS 14 1HB LYS 14 -3.727 -2.012 1.166
114 2HB LYS 14 2HB LYS 14 -4.173 -1.546 2.801
115 1HG LYS 14 1HG LYS 14 -5.465 -4.009 1.442
116 2HG LYS 14 2HG LYS 14 -3.890 -4.122 2.224
117 1HD LYS 14 1HD LYS 14 -6.657 -3.576 3.423
118 2HD LYS 14 2HD LYS 14 -5.503 -4.858 3.839
119 1HE LYS 14 1HE LYS 14 -4.038 -3.373 5.049
120 2HE LYS 14 2HE LYS 14 -4.646 -1.923 4.236
121 1HZ LYS 14 1HZ LYS 14 -6.897 -2.772 5.337
122 2HZ LYS 14 2HZ LYS 14 -5.814 -3.415 6.451
123 3HZ LYS 14 3HZ LYS 14 -5.813 -1.763 6.134
124 H VAL 15 H VAL 15 -5.698 1.016 2.251
125 HA VAL 15 HA VAL 15 -7.449 0.418 4.640
126 HB VAL 15 HB VAL 15 -5.906 2.906 3.650
127 1HG1 VAL 15 1HG2 VAL 15 -7.573 2.845 6.264
128 2HG1 VAL 15 2HG2 VAL 15 -6.419 4.119 5.795
129 3HG1 VAL 15 3HG2 VAL 15 -7.877 3.881 4.849
130 1HG2 VAL 15 2HG1 VAL 15 -4.490 1.131 4.778
131 2HG2 VAL 15 3HG1 VAL 15 -4.496 2.650 5.680
132 3HG2 VAL 15 1HG1 VAL 15 -5.476 1.276 6.251
133 H LYS 16 H LYS 16 -7.567 2.080 1.576
134 HA LYS 16 HA LYS 16 -10.222 3.328 2.193
135 1HB LYS 16 1HB LYS 16 -8.844 2.901 -0.554
136 2HB LYS 16 2HB LYS 16 -10.201 3.975 -0.247
137 1HG LYS 16 1HG LYS 16 -8.412 4.990 1.626
138 2HG LYS 16 2HG LYS 16 -7.258 4.313 0.479
139 1HD LYS 16 1HD LYS 16 -9.498 6.346 -0.164
140 2HD LYS 16 2HD LYS 16 -7.798 6.759 0.134
141 1HE LYS 16 1HE LYS 16 -7.016 5.537 -1.845
142 2HE LYS 16 2HE LYS 16 -8.566 4.707 -2.059
143 1HZ LYS 16 2HZ LYS 16 -9.422 7.199 -2.146
144 2HZ LYS 16 3HZ LYS 16 -7.854 7.467 -2.691
145 3HZ LYS 16 1HZ LYS 16 -8.855 6.390 -3.507
146 H GLU 17 H GLU 17 -9.029 0.376 0.843
147 HA GLU 17 HA GLU 17 -11.647 -0.448 -0.324
148 1HB GLU 17 1HB GLU 17 -8.928 -1.321 -0.394
149 2HB GLU 17 2HB GLU 17 -9.727 -2.602 0.484
150 1HG GLU 17 1HG GLU 17 -11.160 -3.179 -1.410
151 2HG GLU 17 2HG GLU 17 -10.871 -1.666 -2.231
152 H LYS 18 H LYS 18 -10.105 -0.578 2.771
153 HA LYS 18 HA LYS 18 -11.860 -2.748 3.827
154 1HB LYS 18 1HB LYS 18 -9.902 -0.722 5.073
155 2HB LYS 18 2HB LYS 18 -10.954 -1.662 6.121
156 1HG LYS 18 1HG LYS 18 -9.365 -3.201 3.998
157 2HG LYS 18 2HG LYS 18 -8.457 -2.511 5.341
158 1HD LYS 18 1HD LYS 18 -10.634 -3.811 6.609
159 2HD LYS 18 2HD LYS 18 -10.318 -4.850 5.206
160 1HE LYS 18 1HE LYS 18 -8.650 -5.769 6.567
161 2HE LYS 18 2HE LYS 18 -7.690 -4.401 5.984
162 1HZ LYS 18 3HZ LYS 18 -9.452 -3.875 8.258
163 2HZ LYS 18 1HZ LYS 18 -8.107 -4.844 8.539
164 3HZ LYS 18 2HZ LYS 18 -7.911 -3.292 7.923
165 H LEU 19 H LEU 19 -11.880 0.735 3.710
166 HA LEU 19 HA LEU 19 -14.098 1.116 5.596
167 1HB LEU 19 1HB LEU 19 -13.210 2.809 3.165
168 2HB LEU 19 2HB LEU 19 -14.449 3.324 4.292
169 HG LEU 19 HG LEU 19 -11.565 2.717 5.167
170 1HD1 LEU 19 3HD2 LEU 19 -11.684 4.640 3.454
171 2HD1 LEU 19 1HD2 LEU 19 -12.740 5.518 4.566
172 3HD1 LEU 19 2HD2 LEU 19 -11.065 5.132 5.050
173 1HD2 LEU 19 2HD1 LEU 19 -13.365 2.683 6.965
174 2HD2 LEU 19 3HD1 LEU 19 -12.187 3.995 7.214
175 3HD2 LEU 19 1HD1 LEU 19 -13.798 4.350 6.545
Start of MODEL 2
Raw file had 175 H/Q atoms
Start of MODEL 2
1 1H SER 1 2H SER 1 11.814 -1.658 -8.630
2 2H SER 1 3H SER 1 12.966 -0.485 -8.981
3 3H SER 1 1H SER 1 13.280 -2.101 -9.324
4 HA SER 1 HA SER 1 13.375 -2.702 -7.088
5 1HB SER 1 1HB SER 1 14.968 -0.185 -7.842
6 2HB SER 1 2HB SER 1 15.214 -0.944 -6.278
7 HG SER 1 HG SER 1 15.272 -2.564 -8.597
8 H ALA 2 H ALA 2 11.629 -2.670 -5.951
9 HA ALA 2 HA ALA 2 11.429 -0.656 -3.839
10 1HB ALA 2 2HB ALA 2 10.597 0.818 -5.719
11 2HB ALA 2 3HB ALA 2 9.329 -0.366 -6.116
12 3HB ALA 2 1HB ALA 2 9.285 0.507 -4.566
13 H LYS 3 H LYS 3 11.351 -2.305 -2.546
14 HA LYS 3 HA LYS 3 9.170 -4.370 -2.875
15 1HB LYS 3 1HB LYS 3 11.599 -4.816 -1.979
16 2HB LYS 3 2HB LYS 3 11.123 -3.991 -0.501
17 1HG LYS 3 2HG LYS 3 9.016 -5.845 -0.798
18 2HG LYS 3 1HG LYS 3 10.356 -6.744 -1.505
19 1HD LYS 3 1HD LYS 3 10.879 -5.449 1.170
20 2HD LYS 3 2HD LYS 3 9.837 -6.884 1.112
21 1HE LYS 3 1HE LYS 3 11.679 -7.997 -0.414
22 2HE LYS 3 2HE LYS 3 12.747 -6.666 0.057
23 1HZ LYS 3 2HZ LYS 3 11.289 -8.077 2.184
24 2HZ LYS 3 3HZ LYS 3 12.613 -8.831 1.472
25 3HZ LYS 3 1HZ LYS 3 12.798 -7.336 2.220
26 H MET 4 H MET 4 10.030 -1.684 -0.788
27 HA MET 4 HA MET 4 7.341 -1.984 0.623
28 1HB MET 4 1HB MET 4 9.317 0.226 1.360
29 2HB MET 4 2HB MET 4 8.249 -0.705 2.399
30 1HG MET 4 2HG MET 4 9.733 -2.617 2.460
31 2HG MET 4 1HG MET 4 10.724 -2.023 1.113
32 1HE MET 4 1HE MET 4 10.668 -2.810 4.408
33 2HE MET 4 3HE MET 4 12.360 -2.790 3.822
34 3HE MET 4 2HE MET 4 11.888 -1.785 5.226
35 NH1 ARG 5 NH2 ARG 5 12.655 2.851 -0.870
36 NH2 ARG 5 NH1 ARG 5 12.580 0.648 -1.123
37 H ARG 5 H ARG 5 8.856 -0.196 -1.850
38 HA ARG 5 HA ARG 5 7.024 2.142 -1.609
39 1HB ARG 5 1HB ARG 5 9.154 1.156 -3.547
40 2HB ARG 5 2HB ARG 5 7.953 2.242 -4.222
41 1HG ARG 5 1HG ARG 5 8.786 4.103 -3.021
42 2HG ARG 5 2HG ARG 5 9.109 3.155 -1.572
43 1HD ARG 5 1HD ARG 5 10.839 3.146 -4.138
44 2HD ARG 5 2HD ARG 5 11.221 4.006 -2.624
45 HE ARG 5 HE ARG 5 10.985 0.981 -2.892
46 1HH1 ARG 5 2HH2 ARG 5 12.281 3.734 -1.220
47 2HH1 ARG 5 1HH2 ARG 5 13.326 2.678 -0.124
48 1HH2 ARG 5 2HH1 ARG 5 13.254 0.595 -0.362
49 2HH2 ARG 5 1HH1 ARG 5 12.144 -0.097 -1.671
50 H GLU 6 H GLU 6 7.243 -0.694 -3.711
51 HA GLU 6 HA GLU 6 4.735 -0.117 -5.161
52 1HB GLU 6 1HB GLU 6 5.023 -2.257 -6.133
53 2HB GLU 6 2HB GLU 6 6.662 -1.793 -5.745
54 1HG GLU 6 1HG GLU 6 6.773 -3.357 -3.845
55 2HG GLU 6 2HG GLU 6 5.044 -3.596 -3.816
56 CH2 TRP 7 CH2 TRP 7 2.758 -1.145 4.664
57 H TRP 7 H TRP 7 5.550 -1.748 -2.186
58 HA TRP 7 HA TRP 7 2.754 -2.657 -1.637
59 1HB TRP 7 1HB TRP 7 4.737 -3.797 -0.602
60 2HB TRP 7 2HB TRP 7 5.292 -2.305 0.122
61 HD1 TRP 7 HD1 TRP 7 2.986 -5.245 0.806
62 HE1 TRP 7 HE1 TRP 7 1.932 -5.102 3.243
63 HE3 TRP 7 HE3 TRP 7 4.387 -0.441 1.742
64 HZ2 TRP 7 HZ2 TRP 7 1.820 -3.021 5.181
65 HZ3 TRP 7 HZ3 TRP 7 3.771 0.596 3.906
66 HH2 TRP 7 HH2 TRP 7 2.501 -0.670 5.599
67 H PHE 8 H PHE 8 4.599 0.239 -1.134
68 HA PHE 8 HA PHE 8 2.897 1.464 0.891
69 1HB PHE 8 1HB PHE 8 5.201 2.289 -0.301
70 2HB PHE 8 2HB PHE 8 4.137 3.067 -1.440
71 HD1 PHE 8 HD2 PHE 8 5.237 3.091 2.137
72 HD2 PHE 8 HD1 PHE 8 2.903 5.082 -0.872
73 HE1 PHE 8 HE2 PHE 8 4.997 5.055 3.611
74 HE2 PHE 8 HE1 PHE 8 2.660 7.034 0.607
75 HZ PHE 8 HZ PHE 8 3.714 7.031 2.847
76 H SER 9 H SER 9 2.722 1.422 -2.624
77 HA SER 9 HA SER 9 0.305 3.154 -2.704
78 1HB SER 9 2HB SER 9 1.890 2.833 -4.708
79 2HB SER 9 1HB SER 9 1.315 1.180 -4.852
80 HG SER 9 HG SER 9 0.269 2.855 -6.190
81 H GLU 10 H GLU 10 0.911 -0.307 -2.849
82 HA GLU 10 HA GLU 10 -2.015 -0.914 -2.732
83 1HB GLU 10 1HB GLU 10 0.469 -2.706 -2.333
84 2HB GLU 10 2HB GLU 10 -1.152 -3.308 -2.576
85 1HG GLU 10 2HG GLU 10 -0.531 -1.504 -4.845
86 2HG GLU 10 1HG GLU 10 0.879 -2.490 -4.582
87 H THR 11 H THR 11 -0.372 0.524 -0.485
88 HA THR 11 HA THR 11 -1.626 -1.169 1.729
89 HB THR 11 HB THR 11 0.744 0.773 1.695
90 HG1 THR 11 HG1 THR 11 1.657 -0.932 2.849
91 1HG2 THR 11 3HG2 THR 11 -0.691 -0.116 4.300
92 2HG2 THR 11 1HG2 THR 11 0.892 0.695 4.216
93 3HG2 THR 11 2HG2 THR 11 -0.561 1.562 3.722
94 H PHE 12 H PHE 12 -1.323 2.007 0.303
95 HA PHE 12 HA PHE 12 -3.202 3.317 2.222
96 1HB PHE 12 1HB PHE 12 -1.415 4.437 0.581
97 2HB PHE 12 2HB PHE 12 -2.583 4.188 -0.689
98 HD1 PHE 12 HD2 PHE 12 -3.414 5.304 2.836
99 HD2 PHE 12 HD1 PHE 12 -3.036 6.418 -1.297
100 HE1 PHE 12 HE2 PHE 12 -4.478 7.475 3.316
101 HE2 PHE 12 HE1 PHE 12 -4.109 8.577 -0.814
102 HZ PHE 12 HZ PHE 12 -4.815 9.122 1.496
103 H GLN 13 H GLN 13 -3.387 1.802 -0.938
104 HA GLN 13 HA GLN 13 -6.342 2.283 -1.134
105 1HB GLN 13 1HB GLN 13 -4.721 0.194 -2.713
106 2HB GLN 13 2HB GLN 13 -6.197 1.018 -3.212
107 1HG GLN 13 1HG GLN 13 -3.817 2.856 -2.727
108 2HG GLN 13 2HG GLN 13 -3.601 1.719 -4.035
109 1HE2 GLN 13 2HE2 GLN 13 -5.733 5.071 -4.645
110 2HE2 GLN 13 1HE2 GLN 13 -4.872 4.689 -3.053
111 H LYS 14 H LYS 14 -4.284 0.059 0.409
112 HA LYS 14 HA LYS 14 -6.309 -2.100 0.633
113 1HB LYS 14 1HB LYS 14 -3.608 -1.981 1.121
114 2HB LYS 14 2HB LYS 14 -4.137 -1.612 2.754
115 1HG LYS 14 1HG LYS 14 -5.500 -4.017 1.472
116 2HG LYS 14 2HG LYS 14 -3.767 -4.193 1.745
117 1HD LYS 14 1HD LYS 14 -6.056 -3.799 3.741
118 2HD LYS 14 2HD LYS 14 -4.845 -5.095 3.681
119 1HE LYS 14 1HE LYS 14 -3.349 -2.606 3.912
120 2HE LYS 14 2HE LYS 14 -4.659 -2.498 5.098
121 1HZ LYS 14 2HZ LYS 14 -3.250 -5.063 4.907
122 2HZ LYS 14 3HZ LYS 14 -2.435 -3.770 5.608
123 3HZ LYS 14 1HZ LYS 14 -3.904 -4.282 6.246
124 H VAL 15 H VAL 15 -5.838 0.942 2.113
125 HA VAL 15 HA VAL 15 -7.607 0.149 4.478
126 HB VAL 15 HB VAL 15 -6.068 2.755 3.820
127 1HG1 VAL 15 1HG2 VAL 15 -7.598 2.172 6.454
128 2HG1 VAL 15 2HG2 VAL 15 -6.517 3.559 6.163
129 3HG1 VAL 15 3HG2 VAL 15 -8.012 3.420 5.254
130 1HG2 VAL 15 2HG1 VAL 15 -4.533 0.879 4.561
131 2HG2 VAL 15 3HG1 VAL 15 -4.550 2.219 5.712
132 3HG2 VAL 15 1HG1 VAL 15 -5.449 0.724 6.079
133 H LYS 16 H LYS 16 -7.438 1.985 1.542
134 HA LYS 16 HA LYS 16 -10.038 3.345 1.881
135 1HB LYS 16 2HB LYS 16 -8.279 2.594 -0.562
136 2HB LYS 16 1HB LYS 16 -9.801 3.440 -0.787
137 1HG LYS 16 1HG LYS 16 -8.612 5.056 1.201
138 2HG LYS 16 2HG LYS 16 -7.174 4.427 0.400
139 1HD LYS 16 1HD LYS 16 -9.469 5.710 -1.198
140 2HD LYS 16 2HD LYS 16 -8.287 6.721 -0.344
141 1HE LYS 16 1HE LYS 16 -6.418 5.250 -1.515
142 2HE LYS 16 2HE LYS 16 -7.700 4.660 -2.584
143 1HZ LYS 16 3HZ LYS 16 -7.285 7.562 -2.127
144 2HZ LYS 16 1HZ LYS 16 -6.458 6.710 -3.318
145 3HZ LYS 16 2HZ LYS 16 -8.136 6.808 -3.366
146 H GLU 17 H GLU 17 -8.999 0.284 0.581
147 HA GLU 17 HA GLU 17 -11.686 -0.415 -0.517
148 1HB GLU 17 1HB GLU 17 -8.973 -1.665 -0.225
149 2HB GLU 17 2HB GLU 17 -10.260 -2.829 -0.025
150 1HG GLU 17 1HG GLU 17 -10.274 -3.047 -2.316
151 2HG GLU 17 2HG GLU 17 -11.061 -1.492 -2.405
152 H LYS 18 H LYS 18 -10.147 -0.544 2.564
153 HA LYS 18 HA LYS 18 -11.946 -2.650 3.668
154 1HB LYS 18 2HB LYS 18 -9.921 -0.648 4.824
155 2HB LYS 18 1HB LYS 18 -11.038 -1.435 5.929
156 1HG LYS 18 1HG LYS 18 -9.492 -3.210 3.960
157 2HG LYS 18 2HG LYS 18 -8.629 -2.532 5.339
158 1HD LYS 18 1HD LYS 18 -11.284 -3.890 5.908
159 2HD LYS 18 2HD LYS 18 -9.984 -4.936 5.304
160 1HE LYS 18 1HE LYS 18 -8.736 -4.758 7.259
161 2HE LYS 18 2HE LYS 18 -8.974 -3.008 7.375
162 1HZ LYS 18 3HZ LYS 18 -11.384 -3.643 7.992
163 2HZ LYS 18 1HZ LYS 18 -10.747 -5.162 8.329
164 3HZ LYS 18 2HZ LYS 18 -10.170 -3.809 9.144
165 H LEU 19 H LEU 19 -11.910 0.835 3.464
166 HA LEU 19 HA LEU 19 -14.125 1.324 5.301
167 1HB LEU 19 1HB LEU 19 -13.235 2.856 2.769
168 2HB LEU 19 2HB LEU 19 -14.501 3.439 3.831
169 HG LEU 19 HG LEU 19 -11.556 3.020 4.621
170 1HD1 LEU 19 3HD2 LEU 19 -12.050 5.031 3.086
171 2HD1 LEU 19 1HD2 LEU 19 -13.111 5.682 4.339
172 3HD1 LEU 19 2HD2 LEU 19 -11.368 5.481 4.668
173 1HD2 LEU 19 2HD1 LEU 19 -13.186 2.623 6.535
174 2HD2 LEU 19 3HD1 LEU 19 -12.162 4.055 6.807
175 3HD2 LEU 19 1HD1 LEU 19 -13.853 4.247 6.286
Start of MODEL 3
Raw file had 175 H/Q atoms
Start of MODEL 3
1 1H SER 1 3H SER 1 13.696 -4.719 -5.112
2 2H SER 1 1H SER 1 15.281 -4.653 -5.671
3 3H SER 1 2H SER 1 14.826 -3.755 -4.324
4 HA SER 1 HA SER 1 14.929 -2.202 -5.971
5 1HB SER 1 1HB SER 1 13.455 -2.787 -8.163
6 2HB SER 1 2HB SER 1 15.149 -3.240 -8.064
7 HG SER 1 HG SER 1 12.954 -4.800 -8.251
8 H ALA 2 H ALA 2 13.864 -1.197 -4.431
9 HA ALA 2 HA ALA 2 11.836 -0.242 -3.357
10 1HB ALA 2 2HB ALA 2 11.864 0.874 -5.627
11 2HB ALA 2 3HB ALA 2 10.922 -0.468 -6.319
12 3HB ALA 2 1HB ALA 2 10.195 0.599 -5.094
13 H LYS 3 H LYS 3 11.644 -2.107 -2.131
14 HA LYS 3 HA LYS 3 9.470 -4.020 -3.023
15 1HB LYS 3 1HB LYS 3 11.691 -4.696 -1.791
16 2HB LYS 3 2HB LYS 3 11.014 -3.973 -0.339
17 1HG LYS 3 2HG LYS 3 8.960 -5.575 -0.639
18 2HG LYS 3 1HG LYS 3 9.862 -6.381 -1.922
19 1HD LYS 3 1HD LYS 3 11.793 -6.578 -0.070
20 2HD LYS 3 2HD LYS 3 10.416 -6.435 1.041
21 1HE LYS 3 1HE LYS 3 9.374 -8.435 0.286
22 2HE LYS 3 2HE LYS 3 10.046 -8.317 -1.348
23 1HZ LYS 3 1HZ LYS 3 11.804 -8.759 0.997
24 2HZ LYS 3 2HZ LYS 3 11.046 -10.030 0.197
25 3HZ LYS 3 3HZ LYS 3 12.128 -9.042 -0.629
26 H MET 4 H MET 4 10.095 -1.538 -0.635
27 HA MET 4 HA MET 4 7.288 -1.864 0.460
28 1HB MET 4 2HB MET 4 9.394 0.252 1.257
29 2HB MET 4 1HB MET 4 8.004 -0.259 2.202
30 1HG MET 4 1HG MET 4 9.091 -2.531 2.572
31 2HG MET 4 2HG MET 4 10.441 -2.045 1.529
32 1HE MET 4 2HE MET 4 8.157 -0.731 4.295
33 2HE MET 4 1HE MET 4 9.220 0.173 5.417
34 3HE MET 4 3HE MET 4 8.812 0.864 3.816
35 NH1 ARG 5 NH2 ARG 5 12.818 4.451 -1.768
36 NH2 ARG 5 NH1 ARG 5 13.129 2.557 -0.653
37 H ARG 5 H ARG 5 8.798 -0.101 -1.983
38 HA ARG 5 HA ARG 5 6.984 2.255 -1.763
39 1HB ARG 5 1HB ARG 5 9.063 1.225 -3.760
40 2HB ARG 5 2HB ARG 5 7.898 2.392 -4.357
41 1HG ARG 5 1HG ARG 5 8.834 4.170 -3.077
42 2HG ARG 5 2HG ARG 5 9.238 3.122 -1.720
43 1HD ARG 5 1HD ARG 5 10.793 2.524 -4.236
44 2HD ARG 5 2HD ARG 5 11.059 4.157 -3.572
45 HE ARG 5 HE ARG 5 11.387 1.575 -1.983
46 1HH1 ARG 5 2HH2 ARG 5 12.267 4.891 -2.505
47 2HH1 ARG 5 1HH2 ARG 5 13.560 4.838 -1.189
48 1HH2 ARG 5 1HH1 ARG 5 12.801 1.593 -0.574
49 2HH2 ARG 5 2HH1 ARG 5 13.854 3.049 -0.134
50 H GLU 6 H GLU 6 7.183 -0.581 -3.870
51 HA GLU 6 HA GLU 6 4.673 0.036 -5.302
52 1HB GLU 6 1HB GLU 6 5.201 -2.873 -4.960
53 2HB GLU 6 2HB GLU 6 5.069 -1.934 -6.429
54 1HG GLU 6 1HG GLU 6 7.443 -1.450 -6.497
55 2HG GLU 6 2HG GLU 6 7.678 -1.759 -4.796
56 CH2 TRP 7 CH2 TRP 7 2.773 -1.046 4.546
57 H TRP 7 H TRP 7 5.488 -1.636 -2.352
58 HA TRP 7 HA TRP 7 2.701 -2.549 -1.778
59 1HB TRP 7 1HB TRP 7 4.705 -3.664 -0.748
60 2HB TRP 7 2HB TRP 7 5.243 -2.162 -0.031
61 HD1 TRP 7 HD1 TRP 7 2.949 -5.119 0.656
62 HE1 TRP 7 HE1 TRP 7 1.930 -4.994 3.108
63 HE3 TRP 7 HE3 TRP 7 4.344 -0.313 1.599
64 HZ2 TRP 7 HZ2 TRP 7 1.840 -2.926 5.062
65 HZ3 TRP 7 HZ3 TRP 7 3.764 0.705 3.781
66 HH2 TRP 7 HH2 TRP 7 2.537 -0.582 5.492
67 H PHE 8 H PHE 8 4.539 0.355 -1.282
68 HA PHE 8 HA PHE 8 2.856 1.591 0.747
69 1HB PHE 8 1HB PHE 8 5.130 2.425 -0.482
70 2HB PHE 8 2HB PHE 8 4.051 3.164 -1.633
71 HD1 PHE 8 HD2 PHE 8 2.136 3.480 1.245
72 HD2 PHE 8 HD1 PHE 8 5.831 4.948 -0.384
73 HE1 PHE 8 HE2 PHE 8 1.955 5.504 2.640
74 HE2 PHE 8 HE1 PHE 8 5.635 6.974 0.997
75 HZ PHE 8 HZ PHE 8 3.715 7.244 2.537
76 H SER 9 H SER 9 2.612 1.510 -2.762
77 HA SER 9 HA SER 9 0.182 3.230 -2.803
78 1HB SER 9 1HB SER 9 1.732 2.920 -4.807
79 2HB SER 9 2HB SER 9 1.186 1.260 -4.981
80 HG SER 9 HG SER 9 -0.378 2.066 -6.114
81 H GLU 10 H GLU 10 0.801 -0.228 -2.956
82 HA GLU 10 HA GLU 10 -2.116 -0.853 -2.767
83 1HB GLU 10 1HB GLU 10 0.392 -2.618 -2.405
84 2HB GLU 10 2HB GLU 10 -1.230 -3.239 -2.594
85 1HG GLU 10 2HG GLU 10 -0.685 -1.458 -4.903
86 2HG GLU 10 1HG GLU 10 0.738 -2.431 -4.666
87 H THR 11 H THR 11 -0.439 0.616 -0.561
88 HA THR 11 HA THR 11 -1.618 -1.080 1.691
89 HB THR 11 HB THR 11 0.712 0.915 1.601
90 HG1 THR 11 HG1 THR 11 1.703 -0.784 2.699
91 1HG2 THR 11 3HG2 THR 11 -0.621 -0.054 4.232
92 2HG2 THR 11 1HG2 THR 11 0.937 0.800 4.115
93 3HG2 THR 11 2HG2 THR 11 -0.552 1.636 3.679
94 H PHE 12 H PHE 12 -1.377 2.112 0.269
95 HA PHE 12 HA PHE 12 -3.215 3.377 2.257
96 1HB PHE 12 1HB PHE 12 -1.457 4.539 0.616
97 2HB PHE 12 2HB PHE 12 -2.652 4.336 -0.633
98 HD1 PHE 12 HD1 PHE 12 -5.147 4.916 1.228
99 HD2 PHE 12 HD2 PHE 12 -1.438 6.971 0.531
100 HE1 PHE 12 HE1 PHE 12 -6.198 7.042 1.891
101 HE2 PHE 12 HE2 PHE 12 -2.504 9.099 1.170
102 HZ PHE 12 HZ PHE 12 -4.885 9.140 1.852
103 H GLN 13 H GLN 13 -3.450 1.985 -0.964
104 HA GLN 13 HA GLN 13 -6.396 2.489 -1.114
105 1HB GLN 13 1HB GLN 13 -4.836 0.407 -2.763
106 2HB GLN 13 2HB GLN 13 -6.272 1.311 -3.239
107 1HG GLN 13 1HG GLN 13 -4.307 3.364 -2.807
108 2HG GLN 13 2HG GLN 13 -3.372 2.061 -3.498
109 1HE2 GLN 13 2HE2 GLN 13 -4.410 3.069 -6.730
110 2HE2 GLN 13 1HE2 GLN 13 -3.237 2.131 -5.650
111 H LYS 14 H LYS 14 -4.371 0.125 0.303
112 HA LYS 14 HA LYS 14 -6.489 -1.949 0.469
113 1HB LYS 14 1HB LYS 14 -3.771 -1.972 0.942
114 2HB LYS 14 2HB LYS 14 -4.306 -1.732 2.599
115 1HG LYS 14 1HG LYS 14 -6.014 -3.825 1.794
116 2HG LYS 14 2HG LYS 14 -4.595 -4.157 0.804
117 1HD LYS 14 1HD LYS 14 -4.237 -5.420 2.779
118 2HD LYS 14 2HD LYS 14 -3.263 -3.971 3.095
119 1HE LYS 14 1HE LYS 14 -5.426 -2.935 4.209
120 2HE LYS 14 2HE LYS 14 -6.106 -4.569 4.181
121 1HZ LYS 14 2HZ LYS 14 -3.946 -5.283 5.280
122 2HZ LYS 14 3HZ LYS 14 -3.658 -3.652 5.572
123 3HZ LYS 14 1HZ LYS 14 -5.025 -4.393 6.215
124 H VAL 15 H VAL 15 -5.757 0.968 2.135
125 HA VAL 15 HA VAL 15 -7.537 0.250 4.469
126 HB VAL 15 HB VAL 15 -6.020 2.816 3.646
127 1HG1 VAL 15 1HG2 VAL 15 -7.629 2.502 6.278
128 2HG1 VAL 15 2HG2 VAL 15 -6.512 3.836 5.894
129 3HG1 VAL 15 3HG2 VAL 15 -7.985 3.644 4.961
130 1HG2 VAL 15 2HG1 VAL 15 -4.544 0.986 4.593
131 2HG2 VAL 15 3HG1 VAL 15 -4.562 2.424 5.619
132 3HG2 VAL 15 1HG1 VAL 15 -5.502 0.985 6.093
133 H LYS 16 H LYS 16 -7.603 2.060 1.491
134 HA LYS 16 HA LYS 16 -10.252 3.306 2.106
135 1HB LYS 16 1HB LYS 16 -9.136 2.904 -0.736
136 2HB LYS 16 2HB LYS 16 -10.151 4.212 -0.144
137 1HG LYS 16 1HG LYS 16 -7.929 4.604 1.488
138 2HG LYS 16 2HG LYS 16 -7.139 3.824 0.119
139 1HD LYS 16 2HD LYS 16 -8.918 6.352 0.019
140 2HD LYS 16 1HD LYS 16 -7.144 6.347 0.037
141 1HE LYS 16 1HE LYS 16 -7.023 5.261 -2.164
142 2HE LYS 16 2HE LYS 16 -8.711 4.728 -2.098
143 1HZ LYS 16 2HZ LYS 16 -8.196 7.610 -1.896
144 2HZ LYS 16 3HZ LYS 16 -8.014 6.872 -3.397
145 3HZ LYS 16 1HZ LYS 16 -9.488 6.789 -2.592
146 H GLU 17 H GLU 17 -9.065 0.394 0.653
147 HA GLU 17 HA GLU 17 -11.674 -0.396 -0.542
148 1HB GLU 17 1HB GLU 17 -8.933 -1.569 -0.114
149 2HB GLU 17 2HB GLU 17 -10.203 -2.766 -0.047
150 1HG GLU 17 1HG GLU 17 -10.646 -2.648 -2.355
151 2HG GLU 17 2HG GLU 17 -10.386 -0.925 -2.454
152 H LYS 18 H LYS 18 -10.184 -0.609 2.577
153 HA LYS 18 HA LYS 18 -12.033 -2.751 3.551
154 1HB LYS 18 1HB LYS 18 -9.917 -0.918 4.807
155 2HB LYS 18 2HB LYS 18 -11.073 -1.692 5.881
156 1HG LYS 18 1HG LYS 18 -9.826 -3.573 3.856
157 2HG LYS 18 2HG LYS 18 -8.667 -2.833 4.957
158 1HD LYS 18 1HD LYS 18 -11.148 -3.939 6.266
159 2HD LYS 18 2HD LYS 18 -10.181 -5.146 5.396
160 1HE LYS 18 1HE LYS 18 -8.849 -5.204 7.303
161 2HE LYS 18 2HE LYS 18 -8.137 -3.706 6.684
162 1HZ LYS 18 2HZ LYS 18 -10.641 -3.297 8.064
163 2HZ LYS 18 3HZ LYS 18 -9.427 -3.940 9.034
164 3HZ LYS 18 1HZ LYS 18 -9.172 -2.492 8.218
165 H LEU 19 H LEU 19 -11.765 0.749 3.836
166 HA LEU 19 HA LEU 19 -14.250 0.927 5.467
167 1HB LEU 19 1HB LEU 19 -12.733 3.109 3.883
168 2HB LEU 19 2HB LEU 19 -14.052 3.429 4.992
169 HG LEU 19 HG LEU 19 -11.557 1.991 6.013
170 1HD1 LEU 19 3HD2 LEU 19 -10.815 4.124 4.769
171 2HD1 LEU 19 1HD2 LEU 19 -11.810 5.074 5.877
172 3HD1 LEU 19 2HD2 LEU 19 -10.432 4.132 6.509
173 1HD2 LEU 19 2HD1 LEU 19 -13.635 2.189 7.469
174 2HD2 LEU 19 3HD1 LEU 19 -12.234 3.030 8.176
175 3HD2 LEU 19 1HD1 LEU 19 -13.522 3.956 7.368
Start of MODEL 4
Raw file had 175 H/Q atoms
Start of MODEL 4
1 1H SER 1 3H SER 1 12.504 -4.491 -6.031
2 2H SER 1 1H SER 1 12.627 -4.640 -7.702
3 3H SER 1 2H SER 1 14.017 -4.594 -6.758
4 HA SER 1 HA SER 1 13.966 -2.409 -6.413
5 1HB SER 1 1HB SER 1 13.682 -3.204 -9.050
6 2HB SER 1 2HB SER 1 12.292 -2.138 -8.938
7 HG SER 1 HG SER 1 14.655 -1.150 -7.820
8 H ALA 2 H ALA 2 13.065 -1.442 -4.907
9 HA ALA 2 HA ALA 2 11.283 -0.122 -3.786
10 1HB ALA 2 3HB ALA 2 9.893 -0.451 -6.543
11 2HB ALA 2 1HB ALA 2 9.395 0.683 -5.264
12 3HB ALA 2 2HB ALA 2 10.959 0.895 -6.075
13 H LYS 3 H LYS 3 11.408 -2.173 -2.639
14 HA LYS 3 HA LYS 3 9.034 -3.987 -3.021
15 1HB LYS 3 1HB LYS 3 11.376 -4.743 -2.184
16 2HB LYS 3 2HB LYS 3 11.072 -3.874 -0.687
17 1HG LYS 3 2HG LYS 3 8.801 -5.375 -0.644
18 2HG LYS 3 1HG LYS 3 9.699 -6.414 -1.749
19 1HD LYS 3 1HD LYS 3 11.641 -6.314 0.044
20 2HD LYS 3 2HD LYS 3 10.343 -5.827 1.152
21 1HE LYS 3 1HE LYS 3 9.211 -7.891 1.011
22 2HE LYS 3 2HE LYS 3 9.653 -8.161 -0.682
23 1HZ LYS 3 1HZ LYS 3 11.857 -8.128 1.238
24 2HZ LYS 3 2HZ LYS 3 10.808 -9.441 1.303
25 3HZ LYS 3 3HZ LYS 3 11.620 -9.084 -0.126
26 H MET 4 H MET 4 10.136 -1.489 -0.817
27 HA MET 4 HA MET 4 7.509 -1.682 0.699
28 1HB MET 4 2HB MET 4 9.946 0.174 1.160
29 2HB MET 4 1HB MET 4 8.580 0.009 2.253
30 1HG MET 4 2HG MET 4 9.291 -2.570 2.359
31 2HG MET 4 1HG MET 4 10.841 -2.009 1.700
32 1HE MET 4 1HE MET 4 10.235 -3.526 4.142
33 2HE MET 4 3HE MET 4 11.899 -2.957 4.483
34 3HE MET 4 2HE MET 4 10.608 -2.725 5.700
35 NH1 ARG 5 NH2 ARG 5 13.194 4.341 -1.333
36 NH2 ARG 5 NH1 ARG 5 13.452 2.279 -0.555
37 H ARG 5 H ARG 5 9.006 0.169 -1.772
38 HA ARG 5 HA ARG 5 7.143 2.475 -1.425
39 1HB ARG 5 1HB ARG 5 9.204 1.606 -3.537
40 2HB ARG 5 2HB ARG 5 8.070 2.881 -3.943
41 1HG ARG 5 1HG ARG 5 9.097 4.440 -2.452
42 2HG ARG 5 2HG ARG 5 9.527 3.199 -1.280
43 1HD ARG 5 1HD ARG 5 10.943 2.958 -3.942
44 2HD ARG 5 2HD ARG 5 11.309 4.440 -3.022
45 HE ARG 5 HE ARG 5 11.572 1.617 -1.896
46 1HH1 ARG 5 2HH2 ARG 5 12.629 4.923 -1.952
47 2HH1 ARG 5 1HH2 ARG 5 13.993 4.591 -0.753
48 1HH2 ARG 5 1HH1 ARG 5 13.069 1.333 -0.606
49 2HH2 ARG 5 2HH1 ARG 5 14.237 2.641 -0.018
50 H GLU 6 H GLU 6 7.427 -0.261 -3.644
51 HA GLU 6 HA GLU 6 4.929 0.364 -5.101
52 1HB GLU 6 1HB GLU 6 5.339 -1.628 -6.252
53 2HB GLU 6 2HB GLU 6 6.947 -1.292 -5.654
54 1HG GLU 6 1HG GLU 6 6.642 -2.986 -3.792
55 2HG GLU 6 2HG GLU 6 4.989 -3.271 -4.273
56 CH2 TRP 7 CH2 TRP 7 2.761 -1.229 4.625
57 H TRP 7 H TRP 7 5.733 -1.411 -2.208
58 HA TRP 7 HA TRP 7 2.950 -2.395 -1.735
59 1HB TRP 7 1HB TRP 7 4.963 -3.517 -0.719
60 2HB TRP 7 2HB TRP 7 5.437 -2.044 0.096
61 HD1 TRP 7 HD1 TRP 7 3.169 -5.078 0.529
62 HE1 TRP 7 HE1 TRP 7 2.045 -5.103 2.939
63 HE3 TRP 7 HE3 TRP 7 4.462 -0.321 1.802
64 HZ2 TRP 7 HZ2 TRP 7 1.840 -3.148 4.997
65 HZ3 TRP 7 HZ3 TRP 7 3.760 0.573 4.003
66 HH2 TRP 7 HH2 TRP 7 2.467 -0.816 5.578
67 H PHE 8 H PHE 8 4.754 0.497 -1.021
68 HA PHE 8 HA PHE 8 2.974 1.618 0.988
69 1HB PHE 8 1HB PHE 8 5.281 2.547 -0.044
70 2HB PHE 8 2HB PHE 8 4.285 3.286 -1.266
71 HD1 PHE 8 HD2 PHE 8 1.926 3.925 0.910
72 HD2 PHE 8 HD1 PHE 8 6.155 4.661 0.721
73 HE1 PHE 8 HE2 PHE 8 1.661 5.884 2.387
74 HE2 PHE 8 HE1 PHE 8 5.878 6.633 2.165
75 HZ PHE 8 HZ PHE 8 3.635 7.236 3.022
76 H SER 9 H SER 9 2.881 1.687 -2.528
77 HA SER 9 HA SER 9 0.442 3.381 -2.627
78 1HB SER 9 1HB SER 9 2.085 3.139 -4.563
79 2HB SER 9 2HB SER 9 1.570 1.479 -4.804
80 HG SER 9 HG SER 9 0.541 3.159 -6.127
81 H GLU 10 H GLU 10 1.089 -0.070 -2.875
82 HA GLU 10 HA GLU 10 -1.831 -0.709 -2.825
83 1HB GLU 10 1HB GLU 10 0.669 -2.483 -2.448
84 2HB GLU 10 2HB GLU 10 -0.942 -3.098 -2.728
85 1HG GLU 10 2HG GLU 10 -0.323 -1.213 -4.931
86 2HG GLU 10 1HG GLU 10 1.100 -2.186 -4.688
87 H THR 11 H THR 11 -0.249 0.670 -0.498
88 HA THR 11 HA THR 11 -1.516 -1.117 1.633
89 HB THR 11 HB THR 11 0.821 0.873 1.735
90 HG1 THR 11 HG1 THR 11 1.780 -0.891 2.761
91 1HG2 THR 11 3HG2 THR 11 -0.600 -0.261 4.251
92 2HG2 THR 11 1HG2 THR 11 0.958 0.602 4.243
93 3HG2 THR 11 2HG2 THR 11 -0.518 1.461 3.806
94 H PHE 12 H PHE 12 -1.212 2.108 0.325
95 HA PHE 12 HA PHE 12 -3.074 3.361 2.290
96 1HB PHE 12 1HB PHE 12 -1.324 4.547 0.678
97 2HB PHE 12 2HB PHE 12 -2.483 4.309 -0.601
98 HD1 PHE 12 HD2 PHE 12 -4.678 5.582 -0.593
99 HD2 PHE 12 HD1 PHE 12 -1.687 6.246 2.421
100 HE1 PHE 12 HE2 PHE 12 -5.713 7.747 -0.031
101 HE2 PHE 12 HE1 PHE 12 -2.724 8.406 2.974
102 HZ PHE 12 HZ PHE 12 -4.748 9.157 1.762
103 H GLN 13 H GLN 13 -3.285 1.944 -0.918
104 HA GLN 13 HA GLN 13 -6.231 2.405 -1.093
105 1HB GLN 13 1HB GLN 13 -4.605 0.310 -2.666
106 2HB GLN 13 2HB GLN 13 -6.085 1.123 -3.170
107 1HG GLN 13 1HG GLN 13 -4.245 3.294 -2.835
108 2HG GLN 13 2HG GLN 13 -3.222 2.017 -3.447
109 1HE2 GLN 13 2HE2 GLN 13 -4.344 2.674 -6.753
110 2HE2 GLN 13 1HE2 GLN 13 -3.185 1.779 -5.621
111 H LYS 14 H LYS 14 -4.170 0.066 0.346
112 HA LYS 14 HA LYS 14 -6.266 -2.010 0.598
113 1HB LYS 14 1HB LYS 14 -3.555 -2.011 1.038
114 2HB LYS 14 2HB LYS 14 -4.053 -1.684 2.692
115 1HG LYS 14 1HG LYS 14 -5.707 -3.892 1.618
116 2HG LYS 14 2HG LYS 14 -4.011 -4.234 1.284
117 1HD LYS 14 1HD LYS 14 -5.080 -5.102 3.502
118 2HD LYS 14 2HD LYS 14 -3.488 -4.329 3.626
119 1HE LYS 14 1HE LYS 14 -4.326 -2.363 4.649
120 2HE LYS 14 2HE LYS 14 -5.892 -2.452 3.828
121 1HZ LYS 14 3HZ LYS 14 -6.291 -4.527 5.205
122 2HZ LYS 14 1HZ LYS 14 -4.967 -4.065 6.133
123 3HZ LYS 14 2HZ LYS 14 -6.308 -3.057 6.021
124 H VAL 15 H VAL 15 -5.565 0.958 2.182
125 HA VAL 15 HA VAL 15 -7.332 0.261 4.543
126 HB VAL 15 HB VAL 15 -5.845 2.854 3.728
127 1HG1 VAL 15 1HG2 VAL 15 -7.249 2.360 6.449
128 2HG1 VAL 15 2HG2 VAL 15 -6.191 3.739 6.059
129 3HG1 VAL 15 3HG2 VAL 15 -7.724 3.562 5.226
130 1HG2 VAL 15 2HG1 VAL 15 -4.266 1.013 4.463
131 2HG2 VAL 15 3HG1 VAL 15 -4.238 2.393 5.566
132 3HG2 VAL 15 1HG1 VAL 15 -5.110 0.908 6.026
133 H LYS 16 H LYS 16 -7.382 2.029 1.542
134 HA LYS 16 HA LYS 16 -9.979 3.386 2.156
135 1HB LYS 16 2HB LYS 16 -9.458 4.571 0.255
136 2HB LYS 16 1HB LYS 16 -7.936 3.687 0.207
137 1HG LYS 16 1HG LYS 16 -8.709 2.112 -1.433
138 2HG LYS 16 2HG LYS 16 -10.404 2.337 -1.008
139 1HD LYS 16 1HD LYS 16 -9.727 3.260 -3.268
140 2HD LYS 16 2HD LYS 16 -10.451 4.490 -2.214
141 1HE LYS 16 2HE LYS 16 -7.759 4.730 -1.454
142 2HE LYS 16 1HE LYS 16 -7.571 4.243 -3.145
143 1HZ LYS 16 2HZ LYS 16 -9.472 6.025 -3.464
144 2HZ LYS 16 3HZ LYS 16 -8.863 6.629 -2.017
145 3HZ LYS 16 1HZ LYS 16 -7.856 6.481 -3.356
146 H GLU 17 H GLU 17 -8.906 0.395 0.765
147 HA GLU 17 HA GLU 17 -11.555 -0.339 -0.366
148 1HB GLU 17 1HB GLU 17 -8.847 -1.458 -0.157
149 2HB GLU 17 2HB GLU 17 -9.969 -2.679 0.394
150 1HG GLU 17 1HG GLU 17 -11.095 -2.800 -1.779
151 2HG GLU 17 2HG GLU 17 -10.436 -1.277 -2.323
152 H LYS 18 H LYS 18 -10.036 -0.513 2.745
153 HA LYS 18 HA LYS 18 -12.000 -2.460 3.849
154 1HB LYS 18 1HB LYS 18 -9.870 -0.585 5.044
155 2HB LYS 18 2HB LYS 18 -11.023 -1.364 6.118
156 1HG LYS 18 1HG LYS 18 -9.336 -2.987 4.085
157 2HG LYS 18 2HG LYS 18 -8.720 -2.570 5.683
158 1HD LYS 18 1HD LYS 18 -11.406 -3.781 5.892
159 2HD LYS 18 2HD LYS 18 -10.373 -4.789 4.860
160 1HE LYS 18 1HE LYS 18 -8.653 -5.032 6.574
161 2HE LYS 18 2HE LYS 18 -9.281 -3.687 7.539
162 1HZ LYS 18 2HZ LYS 18 -11.191 -5.817 7.015
163 2HZ LYS 18 3HZ LYS 18 -9.888 -6.234 7.993
164 3HZ LYS 18 1HZ LYS 18 -10.887 -4.952 8.425
165 H LEU 19 H LEU 19 -11.628 1.030 3.816
166 HA LEU 19 HA LEU 19 -13.963 1.548 5.554
167 1HB LEU 19 1HB LEU 19 -12.638 3.314 3.386
168 2HB LEU 19 2HB LEU 19 -13.891 3.882 4.472
169 HG LEU 19 HG LEU 19 -11.223 2.789 5.526
170 1HD1 LEU 19 2HD1 LEU 19 -10.743 4.651 3.909
171 2HD1 LEU 19 3HD1 LEU 19 -11.876 5.721 4.771
172 3HD1 LEU 19 1HD1 LEU 19 -10.393 5.152 5.574
173 1HD2 LEU 19 2HD2 LEU 19 -13.333 4.684 6.781
174 2HD2 LEU 19 3HD2 LEU 19 -12.969 3.013 7.277
175 3HD2 LEU 19 1HD2 LEU 19 -11.758 4.277 7.517
Start of MODEL 5
Raw file had 175 H/Q atoms
Start of MODEL 5
1 1H SER 1 3H SER 1 13.521 -4.665 -5.188
2 2H SER 1 1H SER 1 15.148 -4.322 -5.441
3 3H SER 1 2H SER 1 14.320 -3.586 -4.175
4 HA SER 1 HA SER 1 14.561 -1.987 -5.826
5 1HB SER 1 1HB SER 1 14.857 -3.952 -7.622
6 2HB SER 1 2HB SER 1 13.125 -3.794 -7.862
7 HG SER 1 HG SER 1 14.952 -2.377 -8.988
8 H ALA 2 H ALA 2 13.331 -0.820 -4.691
9 HA ALA 2 HA ALA 2 11.188 0.037 -3.767
10 1HB ALA 2 2HB ALA 2 11.140 0.779 -6.187
11 2HB ALA 2 3HB ALA 2 10.362 -0.751 -6.659
12 3HB ALA 2 1HB ALA 2 9.501 0.409 -5.618
13 H LYS 3 H LYS 3 11.572 -2.112 -2.579
14 HA LYS 3 HA LYS 3 9.346 -4.081 -3.063
15 1HB LYS 3 1HB LYS 3 11.691 -4.672 -2.100
16 2HB LYS 3 2HB LYS 3 11.245 -3.828 -0.624
17 1HG LYS 3 2HG LYS 3 9.083 -5.477 -0.697
18 2HG LYS 3 1HG LYS 3 10.101 -6.452 -1.755
19 1HD LYS 3 1HD LYS 3 10.904 -5.636 1.079
20 2HD LYS 3 2HD LYS 3 10.241 -7.210 0.597
21 1HE LYS 3 1HE LYS 3 12.208 -7.896 -0.493
22 2HE LYS 3 2HE LYS 3 12.583 -6.275 -1.099
23 1HZ LYS 3 3HZ LYS 3 12.688 -6.648 1.803
24 2HZ LYS 3 1HZ LYS 3 13.902 -7.363 0.886
25 3HZ LYS 3 2HZ LYS 3 13.648 -5.703 0.797
26 H MET 4 H MET 4 10.146 -1.458 -0.891
27 HA MET 4 HA MET 4 7.444 -1.782 0.466
28 1HB MET 4 2HB MET 4 9.749 0.209 1.031
29 2HB MET 4 1HB MET 4 8.314 0.026 2.027
30 1HG MET 4 2HG MET 4 9.128 -2.523 2.269
31 2HG MET 4 1HG MET 4 10.700 -1.892 1.739
32 1HE MET 4 1HE MET 4 7.634 -1.155 4.002
33 2HE MET 4 3HE MET 4 8.458 -2.558 4.752
34 3HE MET 4 2HE MET 4 8.388 -0.994 5.619
35 NH1 ARG 5 NH2 ARG 5 13.035 4.580 -2.811
36 NH2 ARG 5 NH1 ARG 5 13.514 2.758 -1.639
37 H ARG 5 H ARG 5 8.835 -0.035 -2.084
38 HA ARG 5 HA ARG 5 6.992 2.292 -1.819
39 1HB ARG 5 1HB ARG 5 8.984 1.252 -3.908
40 2HB ARG 5 2HB ARG 5 7.784 2.408 -4.454
41 1HG ARG 5 1HG ARG 5 8.718 4.195 -3.117
42 2HG ARG 5 2HG ARG 5 9.386 3.090 -1.920
43 1HD ARG 5 1HD ARG 5 10.546 2.704 -4.669
44 2HD ARG 5 2HD ARG 5 10.812 4.334 -3.998
45 HE ARG 5 HE ARG 5 11.471 1.789 -2.449
46 1HH1 ARG 5 2HH2 ARG 5 12.349 4.998 -3.441
47 2HH1 ARG 5 1HH2 ARG 5 13.906 4.963 -2.450
48 1HH2 ARG 5 1HH1 ARG 5 13.172 1.824 -1.406
49 2HH2 ARG 5 2HH1 ARG 5 14.359 3.241 -1.342
50 H GLU 6 H GLU 6 7.168 -0.521 -3.967
51 HA GLU 6 HA GLU 6 4.582 0.030 -5.280
52 1HB GLU 6 1HB GLU 6 4.958 -1.979 -6.394
53 2HB GLU 6 2HB GLU 6 6.587 -1.669 -5.845
54 1HG GLU 6 1HG GLU 6 6.329 -3.319 -3.965
55 2HG GLU 6 2HG GLU 6 4.631 -3.532 -4.311
56 CH2 TRP 7 CH2 TRP 7 2.913 -1.281 4.588
57 H TRP 7 H TRP 7 5.572 -1.623 -2.374
58 HA TRP 7 HA TRP 7 2.836 -2.620 -1.710
59 1HB TRP 7 1HB TRP 7 4.926 -3.688 -0.787
60 2HB TRP 7 2HB TRP 7 5.419 -2.189 -0.033
61 HD1 TRP 7 HD1 TRP 7 3.317 -5.277 0.634
62 HE1 TRP 7 HE1 TRP 7 2.312 -5.254 3.096
63 HE3 TRP 7 HE3 TRP 7 4.430 -0.415 1.651
64 HZ2 TRP 7 HZ2 TRP 7 2.110 -3.226 5.083
65 HZ3 TRP 7 HZ3 TRP 7 3.795 0.537 3.845
66 HH2 TRP 7 HH2 TRP 7 2.646 -0.843 5.538
67 H PHE 8 H PHE 8 4.614 0.332 -1.225
68 HA PHE 8 HA PHE 8 2.930 1.445 0.881
69 1HB PHE 8 1HB PHE 8 5.170 2.431 -0.251
70 2HB PHE 8 2HB PHE 8 4.107 3.117 -1.446
71 HD1 PHE 8 HD1 PHE 8 1.861 4.290 -0.121
72 HD2 PHE 8 HD2 PHE 8 5.912 4.048 1.293
73 HE1 PHE 8 HE1 PHE 8 1.490 6.277 1.285
74 HE2 PHE 8 HE2 PHE 8 5.537 6.044 2.689
75 HZ PHE 8 HZ PHE 8 3.326 7.162 2.688
76 H SER 9 H SER 9 2.658 1.515 -2.630
77 HA SER 9 HA SER 9 0.188 3.176 -2.574
78 1HB SER 9 2HB SER 9 1.735 2.976 -4.629
79 2HB SER 9 1HB SER 9 1.188 1.320 -4.830
80 HG SER 9 HG SER 9 0.013 3.554 -5.668
81 H GLU 10 H GLU 10 0.903 -0.253 -2.835
82 HA GLU 10 HA GLU 10 -2.002 -0.961 -2.696
83 1HB GLU 10 1HB GLU 10 0.543 -2.684 -2.382
84 2HB GLU 10 2HB GLU 10 -1.061 -3.327 -2.632
85 1HG GLU 10 2HG GLU 10 -0.521 -1.439 -4.848
86 2HG GLU 10 1HG GLU 10 0.926 -2.382 -4.628
87 H THR 11 H THR 11 -0.353 0.454 -0.428
88 HA THR 11 HA THR 11 -1.513 -1.353 1.750
89 HB THR 11 HB THR 11 0.852 0.591 1.719
90 HG1 THR 11 HG1 THR 11 1.794 -1.155 2.789
91 1HG2 THR 11 3HG2 THR 11 -0.507 -0.381 4.335
92 2HG2 THR 11 1HG2 THR 11 1.076 0.428 4.231
93 3HG2 THR 11 2HG2 THR 11 -0.388 1.315 3.809
94 H PHE 12 H PHE 12 -1.271 1.887 0.466
95 HA PHE 12 HA PHE 12 -3.099 3.064 2.531
96 1HB PHE 12 1HB PHE 12 -1.286 4.285 0.977
97 2HB PHE 12 2HB PHE 12 -2.478 4.190 -0.289
98 HD1 PHE 12 HD2 PHE 12 -1.684 5.807 2.976
99 HD2 PHE 12 HD1 PHE 12 -4.446 5.640 -0.311
100 HE1 PHE 12 HE2 PHE 12 -2.691 7.935 3.705
101 HE2 PHE 12 HE1 PHE 12 -5.448 7.763 0.424
102 HZ PHE 12 HZ PHE 12 -4.576 8.917 2.432
103 H GLN 13 H GLN 13 -3.317 1.847 -0.755
104 HA GLN 13 HA GLN 13 -6.249 2.413 -0.908
105 1HB GLN 13 1HB GLN 13 -4.655 0.388 -2.607
106 2HB GLN 13 2HB GLN 13 -6.141 1.223 -3.054
107 1HG GLN 13 1HG GLN 13 -4.116 3.288 -2.528
108 2HG GLN 13 2HG GLN 13 -3.345 2.058 -3.501
109 1HE2 GLN 13 2HE2 GLN 13 -5.197 3.117 -6.419
110 2HE2 GLN 13 1HE2 GLN 13 -4.342 1.674 -5.641
111 H LYS 14 H LYS 14 -4.272 -0.061 0.406
112 HA LYS 14 HA LYS 14 -6.442 -2.083 0.500
113 1HB LYS 14 1HB LYS 14 -3.671 -2.082 1.008
114 2HB LYS 14 2HB LYS 14 -4.296 -2.114 2.650
115 1HG LYS 14 1HG LYS 14 -5.193 -4.122 0.457
116 2HG LYS 14 2HG LYS 14 -3.851 -4.426 1.557
117 1HD LYS 14 1HD LYS 14 -6.853 -4.149 2.166
118 2HD LYS 14 2HD LYS 14 -5.813 -5.566 2.413
119 1HE LYS 14 1HE LYS 14 -4.434 -3.619 3.916
120 2HE LYS 14 2HE LYS 14 -6.111 -3.113 4.170
121 1HZ LYS 14 1HZ LYS 14 -6.314 -5.786 4.414
122 2HZ LYS 14 2HZ LYS 14 -4.778 -5.521 5.045
123 3HZ LYS 14 3HZ LYS 14 -6.105 -4.717 5.695
124 H VAL 15 H VAL 15 -5.820 0.803 2.173
125 HA VAL 15 HA VAL 15 -7.556 -0.101 4.521
126 HB VAL 15 HB VAL 15 -5.821 2.398 3.990
127 1HG1 VAL 15 1HG2 VAL 15 -7.624 2.056 6.490
128 2HG1 VAL 15 2HG2 VAL 15 -6.374 3.307 6.271
129 3HG1 VAL 15 3HG2 VAL 15 -7.792 3.310 5.238
130 1HG2 VAL 15 2HG1 VAL 15 -4.573 0.384 4.893
131 2HG2 VAL 15 3HG1 VAL 15 -4.538 1.748 6.016
132 3HG2 VAL 15 1HG1 VAL 15 -5.626 0.371 6.327
133 H LYS 16 H LYS 16 -7.382 1.959 1.732
134 HA LYS 16 HA LYS 16 -9.899 3.426 2.219
135 1HB LYS 16 2HB LYS 16 -8.257 2.714 -0.311
136 2HB LYS 16 1HB LYS 16 -9.745 3.636 -0.442
137 1HG LYS 16 1HG LYS 16 -8.455 5.123 1.560
138 2HG LYS 16 2HG LYS 16 -7.048 4.440 0.749
139 1HD LYS 16 2HD LYS 16 -9.278 5.952 -0.758
140 2HD LYS 16 1HD LYS 16 -7.941 6.798 0.045
141 1HE LYS 16 1HE LYS 16 -6.393 5.021 -1.300
142 2HE LYS 16 2HE LYS 16 -7.820 4.812 -2.328
143 1HZ LYS 16 1HZ LYS 16 -6.731 7.496 -1.671
144 2HZ LYS 16 2HZ LYS 16 -6.235 6.604 -3.008
145 3HZ LYS 16 3HZ LYS 16 -7.839 7.090 -2.870
146 H GLU 17 H GLU 17 -9.033 0.390 0.735
147 HA GLU 17 HA GLU 17 -11.721 -0.195 -0.357
148 1HB GLU 17 1HB GLU 17 -9.087 -1.505 -0.084
149 2HB GLU 17 2HB GLU 17 -10.329 -2.644 0.375
150 1HG GLU 17 1HG GLU 17 -11.265 -2.745 -1.834
151 2HG GLU 17 2HG GLU 17 -10.711 -1.152 -2.284
152 H LYS 18 H LYS 18 -10.227 -0.464 2.759
153 HA LYS 18 HA LYS 18 -12.286 -2.337 3.830
154 1HB LYS 18 1HB LYS 18 -9.958 -0.711 4.957
155 2HB LYS 18 2HB LYS 18 -11.202 -1.194 6.101
156 1HG LYS 18 1HG LYS 18 -10.036 -3.322 4.204
157 2HG LYS 18 2HG LYS 18 -9.063 -2.777 5.568
158 1HD LYS 18 1HD LYS 18 -11.413 -3.339 6.883
159 2HD LYS 18 2HD LYS 18 -11.639 -4.390 5.472
160 1HE LYS 18 1HE LYS 18 -10.423 -5.757 7.098
161 2HE LYS 18 2HE LYS 18 -9.232 -5.319 5.865
162 1HZ LYS 18 3HZ LYS 18 -8.974 -3.233 7.476
163 2HZ LYS 18 1HZ LYS 18 -9.468 -4.373 8.610
164 3HZ LYS 18 2HZ LYS 18 -8.101 -4.657 7.673
165 H LEU 19 H LEU 19 -11.813 1.112 3.666
166 HA LEU 19 HA LEU 19 -13.827 1.962 5.534
167 1HB LEU 19 1HB LEU 19 -13.041 3.152 2.793
168 2HB LEU 19 2HB LEU 19 -14.174 3.950 3.865
169 HG LEU 19 HG LEU 19 -11.213 3.375 4.470
170 1HD1 LEU 19 2HD1 LEU 19 -11.596 5.187 2.772
171 2HD1 LEU 19 3HD1 LEU 19 -12.687 6.037 3.894
172 3HD1 LEU 19 1HD1 LEU 19 -10.960 5.859 4.284
173 1HD2 LEU 19 2HD2 LEU 19 -13.311 4.841 6.222
174 2HD2 LEU 19 3HD2 LEU 19 -12.461 3.326 6.616
175 3HD2 LEU 19 1HD2 LEU 19 -11.551 4.837 6.522
No H/Q in entry = 175