1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
|
ATOM 1 N SER X 1 0.078 3.174 -8.844 1.00 0.00 N
ATOM 2 H1 SER X 1 0.999 3.431 -8.521 1.00 0.00 H
ATOM 3 H2 SER X 1 -0.183 2.306 -8.398 1.00 0.00 H
ATOM 4 H3 SER X 1 -0.593 3.841 -8.489 1.00 0.00 H
ATOM 5 CA SER X 1 0.098 3.075 -10.322 1.00 0.00 C
ATOM 6 HA SER X 1 -0.779 2.538 -10.682 1.00 0.00 H
ATOM 7 CB SER X 1 0.153 4.463 -10.860 1.00 0.00 C
ATOM 8 HB2 SER X 1 -0.841 4.761 -10.526 1.00 0.00 H
ATOM 9 HB3 SER X 1 1.011 4.880 -10.332 1.00 0.00 H
ATOM 10 OG SER X 1 0.365 4.499 -12.266 1.00 0.00 O
ATOM 11 HG SER X 1 -0.294 5.139 -12.545 1.00 0.00 H
ATOM 12 C SER X 1 1.247 2.200 -10.778 1.00 0.00 C
ATOM 13 O SER X 1 2.360 2.377 -10.231 1.00 0.00 O
ATOM 14 N TRP X 2 1.044 1.464 -11.869 1.00 0.00 N
ATOM 15 H TRP X 2 0.133 1.489 -12.305 1.00 0.00 H
ATOM 16 CA TRP X 2 2.104 0.639 -12.432 1.00 0.00 C
ATOM 17 HA TRP X 2 2.786 0.289 -11.657 1.00 0.00 H
ATOM 18 CB TRP X 2 1.487 -0.653 -12.960 1.00 0.00 C
ATOM 19 HB2 TRP X 2 0.630 -0.448 -13.602 1.00 0.00 H
ATOM 20 HB3 TRP X 2 2.254 -1.127 -13.572 1.00 0.00 H
ATOM 21 CG TRP X 2 1.092 -1.584 -11.914 1.00 0.00 C
ATOM 22 CD1 TRP X 2 -0.167 -2.074 -11.499 1.00 0.00 C
ATOM 23 HD1 TRP X 2 -1.082 -1.694 -11.928 1.00 0.00 H
ATOM 24 NE1 TRP X 2 0.034 -2.946 -10.443 1.00 0.00 N
ATOM 25 HE1 TRP X 2 -0.742 -3.404 -9.987 1.00 0.00 H
ATOM 26 CE2 TRP X 2 1.353 -3.275 -10.279 1.00 0.00 C
ATOM 27 CZ2 TRP X 2 2.009 -4.362 -9.735 1.00 0.00 C
ATOM 28 HZ2 TRP X 2 1.326 -5.070 -9.289 1.00 0.00 H
ATOM 29 CH2 TRP X 2 3.401 -4.481 -9.806 1.00 0.00 C
ATOM 30 HH2 TRP X 2 3.847 -5.364 -9.371 1.00 0.00 H
ATOM 31 CZ3 TRP X 2 4.134 -3.504 -10.495 1.00 0.00 C
ATOM 32 HZ3 TRP X 2 5.197 -3.695 -10.527 1.00 0.00 H
ATOM 33 CE3 TRP X 2 3.468 -2.597 -11.213 1.00 0.00 C
ATOM 34 HE3 TRP X 2 4.037 -1.968 -11.881 1.00 0.00 H
ATOM 35 CD2 TRP X 2 2.054 -2.408 -11.171 1.00 0.00 C
ATOM 36 C TRP X 2 2.783 1.383 -13.617 1.00 0.00 C
ATOM 37 O TRP X 2 2.166 2.071 -14.421 1.00 0.00 O
ATOM 38 N THR X 3 4.126 1.266 -13.806 1.00 0.00 N
ATOM 39 H THR X 3 4.657 0.696 -13.163 1.00 0.00 H
ATOM 40 CA THR X 3 4.842 2.076 -14.754 1.00 0.00 C
ATOM 41 HA THR X 3 4.205 2.372 -15.588 1.00 0.00 H
ATOM 42 CB THR X 3 5.470 3.225 -13.924 1.00 0.00 C
ATOM 43 HB THR X 3 6.031 2.847 -13.069 1.00 0.00 H
ATOM 44 CG2 THR X 3 6.498 4.029 -14.751 1.00 0.00 C
ATOM 45 HG21 THR X 3 7.339 3.404 -15.055 1.00 0.00 H
ATOM 46 HG22 THR X 3 6.090 4.375 -15.700 1.00 0.00 H
ATOM 47 HG23 THR X 3 6.894 4.869 -14.181 1.00 0.00 H
ATOM 48 OG1 THR X 3 4.432 4.051 -13.366 1.00 0.00 O
ATOM 49 HG1 THR X 3 3.998 3.452 -12.753 1.00 0.00 H
ATOM 50 C THR X 3 5.829 1.040 -15.377 1.00 0.00 C
ATOM 51 O THR X 3 6.244 0.087 -14.670 1.00 0.00 O
ATOM 52 N TRP X 4 6.200 1.253 -16.612 1.00 0.00 N
ATOM 53 H TRP X 4 5.905 2.125 -17.028 1.00 0.00 H
ATOM 54 CA TRP X 4 7.210 0.481 -17.378 1.00 0.00 C
ATOM 55 HA TRP X 4 7.429 -0.491 -16.935 1.00 0.00 H
ATOM 56 CB TRP X 4 6.757 0.161 -18.799 1.00 0.00 C
ATOM 57 HB2 TRP X 4 5.848 -0.441 -18.814 1.00 0.00 H
ATOM 58 HB3 TRP X 4 6.574 1.135 -19.254 1.00 0.00 H
ATOM 59 CG TRP X 4 7.757 -0.663 -19.575 1.00 0.00 C
ATOM 60 CD1 TRP X 4 8.538 -0.285 -20.599 1.00 0.00 C
ATOM 61 HD1 TRP X 4 8.549 0.695 -21.052 1.00 0.00 H
ATOM 62 NE1 TRP X 4 9.172 -1.368 -21.151 1.00 0.00 N
ATOM 63 HE1 TRP X 4 9.867 -1.368 -21.884 1.00 0.00 H
ATOM 64 CE2 TRP X 4 8.950 -2.481 -20.381 1.00 0.00 C
ATOM 65 CZ2 TRP X 4 9.509 -3.777 -20.453 1.00 0.00 C
ATOM 66 HZ2 TRP X 4 10.215 -4.035 -21.228 1.00 0.00 H
ATOM 67 CH2 TRP X 4 9.136 -4.737 -19.512 1.00 0.00 C
ATOM 68 HH2 TRP X 4 9.382 -5.788 -19.530 1.00 0.00 H
ATOM 69 CZ3 TRP X 4 8.308 -4.357 -18.400 1.00 0.00 C
ATOM 70 HZ3 TRP X 4 7.953 -5.095 -17.696 1.00 0.00 H
ATOM 71 CE3 TRP X 4 7.701 -3.100 -18.447 1.00 0.00 C
ATOM 72 HE3 TRP X 4 6.908 -2.824 -17.768 1.00 0.00 H
ATOM 73 CD2 TRP X 4 8.007 -2.073 -19.402 1.00 0.00 C
ATOM 74 C TRP X 4 8.442 1.297 -17.375 1.00 0.00 C
ATOM 75 O TRP X 4 8.539 2.184 -18.181 1.00 0.00 O
ATOM 76 N GLU X 5 9.441 1.019 -16.557 1.00 0.00 N
ATOM 77 H GLU X 5 9.389 0.318 -15.832 1.00 0.00 H
ATOM 78 CA GLU X 5 10.624 1.872 -16.599 1.00 0.00 C
ATOM 79 HA GLU X 5 10.647 2.530 -17.468 1.00 0.00 H
ATOM 80 CB GLU X 5 10.541 2.701 -15.339 1.00 0.00 C
ATOM 81 HB2 GLU X 5 9.657 3.338 -15.335 1.00 0.00 H
ATOM 82 HB3 GLU X 5 10.355 2.068 -14.472 1.00 0.00 H
ATOM 83 CG GLU X 5 11.678 3.650 -15.105 1.00 0.00 C
ATOM 84 HG2 GLU X 5 12.625 3.111 -15.086 1.00 0.00 H
ATOM 85 HG3 GLU X 5 11.634 4.387 -15.907 1.00 0.00 H
ATOM 86 CD GLU X 5 11.574 4.381 -13.767 1.00 0.00 C
ATOM 87 OE1 GLU X 5 11.542 3.693 -12.715 1.00 0.00 O
ATOM 88 OE2 GLU X 5 11.625 5.604 -13.760 1.00 0.00 O
ATOM 89 C GLU X 5 11.839 1.063 -16.553 1.00 0.00 C
ATOM 90 O GLU X 5 11.951 0.149 -15.675 1.00 0.00 O
ATOM 91 N ASN X 6 12.806 1.387 -17.464 1.00 0.00 N
ATOM 92 H ASN X 6 12.573 2.103 -18.137 1.00 0.00 H
ATOM 93 CA ASN X 6 14.069 0.715 -17.663 1.00 0.00 C
ATOM 94 HA ASN X 6 14.448 0.992 -18.646 1.00 0.00 H
ATOM 95 CB ASN X 6 15.148 1.280 -16.726 1.00 0.00 C
ATOM 96 HB2 ASN X 6 14.689 1.294 -15.737 1.00 0.00 H
ATOM 97 HB3 ASN X 6 15.964 0.557 -16.716 1.00 0.00 H
ATOM 98 CG ASN X 6 15.712 2.623 -17.048 1.00 0.00 C
ATOM 99 OD1 ASN X 6 15.745 3.019 -18.173 1.00 0.00 O
ATOM 100 ND2 ASN X 6 16.266 3.236 -16.029 1.00 0.00 N
ATOM 101 HD21 ASN X 6 16.166 2.801 -15.123 1.00 0.00 H
ATOM 102 HD22 ASN X 6 16.882 4.027 -16.151 1.00 0.00 H
ATOM 103 C ASN X 6 13.953 -0.882 -17.641 1.00 0.00 C
ATOM 104 O ASN X 6 14.782 -1.536 -17.018 1.00 0.00 O
ATOM 105 N GLY X 7 12.988 -1.522 -18.311 1.00 0.00 N
ATOM 106 H GLY X 7 12.253 -1.054 -18.821 1.00 0.00 H
ATOM 107 CA GLY X 7 12.941 -2.965 -18.404 1.00 0.00 C
ATOM 108 HA2 GLY X 7 12.670 -3.316 -19.400 1.00 0.00 H
ATOM 109 HA3 GLY X 7 13.889 -3.490 -18.292 1.00 0.00 H
ATOM 110 C GLY X 7 11.995 -3.707 -17.487 1.00 0.00 C
ATOM 111 O GLY X 7 11.969 -4.976 -17.529 1.00 0.00 O
ATOM 112 N LYS X 8 11.364 -2.991 -16.517 1.00 0.00 N
ATOM 113 H LYS X 8 11.612 -2.019 -16.399 1.00 0.00 H
ATOM 114 CA LYS X 8 10.557 -3.625 -15.474 1.00 0.00 C
ATOM 115 HA LYS X 8 10.321 -4.645 -15.775 1.00 0.00 H
ATOM 116 CB LYS X 8 11.443 -3.614 -14.182 1.00 0.00 C
ATOM 117 HB2 LYS X 8 12.524 -3.638 -14.319 1.00 0.00 H
ATOM 118 HB3 LYS X 8 11.278 -2.724 -13.574 1.00 0.00 H
ATOM 119 CG LYS X 8 11.137 -4.841 -13.296 1.00 0.00 C
ATOM 120 HG2 LYS X 8 11.618 -4.716 -12.326 1.00 0.00 H
ATOM 121 HG3 LYS X 8 10.072 -4.839 -13.063 1.00 0.00 H
ATOM 122 CD LYS X 8 11.519 -6.210 -13.881 1.00 0.00 C
ATOM 123 HD2 LYS X 8 11.129 -6.445 -14.871 1.00 0.00 H
ATOM 124 HD3 LYS X 8 12.592 -6.260 -14.068 1.00 0.00 H
ATOM 125 CE LYS X 8 11.276 -7.393 -13.023 1.00 0.00 C
ATOM 126 HE2 LYS X 8 11.807 -8.243 -13.451 1.00 0.00 H
ATOM 127 HE3 LYS X 8 11.661 -7.296 -12.008 1.00 0.00 H
ATOM 128 NZ LYS X 8 9.852 -7.803 -13.078 1.00 0.00 N
ATOM 129 HZ1 LYS X 8 9.264 -7.152 -12.577 1.00 0.00 H
ATOM 130 HZ2 LYS X 8 9.520 -7.775 -14.032 1.00 0.00 H
ATOM 131 HZ3 LYS X 8 9.758 -8.715 -12.656 1.00 0.00 H
ATOM 132 C LYS X 8 9.238 -2.881 -15.153 1.00 0.00 C
ATOM 133 O LYS X 8 9.259 -1.656 -14.960 1.00 0.00 O
ATOM 134 N TRP X 9 8.146 -3.609 -15.005 1.00 0.00 N
ATOM 135 H TRP X 9 8.194 -4.595 -15.221 1.00 0.00 H
ATOM 136 CA TRP X 9 6.987 -3.067 -14.351 1.00 0.00 C
ATOM 137 HA TRP X 9 6.746 -2.108 -14.809 1.00 0.00 H
ATOM 138 CB TRP X 9 5.776 -4.025 -14.351 1.00 0.00 C
ATOM 139 HB2 TRP X 9 6.038 -4.983 -13.902 1.00 0.00 H
ATOM 140 HB3 TRP X 9 5.011 -3.519 -13.761 1.00 0.00 H
ATOM 141 CG TRP X 9 5.274 -4.348 -15.733 1.00 0.00 C
ATOM 142 CD1 TRP X 9 5.266 -5.584 -16.346 1.00 0.00 C
ATOM 143 HD1 TRP X 9 5.681 -6.479 -15.908 1.00 0.00 H
ATOM 144 NE1 TRP X 9 4.751 -5.416 -17.609 1.00 0.00 N
ATOM 145 HE1 TRP X 9 4.571 -6.148 -18.281 1.00 0.00 H
ATOM 146 CE2 TRP X 9 4.225 -4.175 -17.846 1.00 0.00 C
ATOM 147 CZ2 TRP X 9 3.547 -3.662 -18.938 1.00 0.00 C
ATOM 148 HZ2 TRP X 9 3.286 -4.231 -19.818 1.00 0.00 H
ATOM 149 CH2 TRP X 9 3.038 -2.398 -18.801 1.00 0.00 C
ATOM 150 HH2 TRP X 9 2.536 -1.988 -19.665 1.00 0.00 H
ATOM 151 CZ3 TRP X 9 3.174 -1.653 -17.614 1.00 0.00 C
ATOM 152 HZ3 TRP X 9 2.601 -0.737 -17.582 1.00 0.00 H
ATOM 153 CE3 TRP X 9 4.077 -2.123 -16.683 1.00 0.00 C
ATOM 154 HE3 TRP X 9 4.235 -1.507 -15.810 1.00 0.00 H
ATOM 155 CD2 TRP X 9 4.605 -3.440 -16.711 1.00 0.00 C
ATOM 156 C TRP X 9 7.322 -2.806 -12.833 1.00 0.00 C
ATOM 157 O TRP X 9 7.801 -3.710 -12.105 1.00 0.00 O
ATOM 158 N THR X 10 7.186 -1.546 -12.469 1.00 0.00 N
ATOM 159 H THR X 10 6.811 -0.968 -13.208 1.00 0.00 H
ATOM 160 CA THR X 10 7.428 -1.085 -11.087 1.00 0.00 C
ATOM 161 HA THR X 10 7.440 -1.889 -10.352 1.00 0.00 H
ATOM 162 CB THR X 10 8.856 -0.494 -10.899 1.00 0.00 C
ATOM 163 HB THR X 10 9.554 -1.301 -11.123 1.00 0.00 H
ATOM 164 CG2 THR X 10 9.151 0.723 -11.755 1.00 0.00 C
ATOM 165 HG21 THR X 10 10.088 1.191 -11.450 1.00 0.00 H
ATOM 166 HG22 THR X 10 9.294 0.338 -12.765 1.00 0.00 H
ATOM 167 HG23 THR X 10 8.434 1.544 -11.758 1.00 0.00 H
ATOM 168 OG1 THR X 10 9.109 -0.127 -9.568 1.00 0.00 O
ATOM 169 HG1 THR X 10 10.022 -0.353 -9.374 1.00 0.00 H
ATOM 170 C THR X 10 6.336 -0.160 -10.616 1.00 0.00 C
ATOM 171 O THR X 10 5.576 0.387 -11.412 1.00 0.00 O
ATOM 172 N TRP X 11 6.283 0.017 -9.292 1.00 0.00 N
ATOM 173 H TRP X 11 6.958 -0.517 -8.763 1.00 0.00 H
ATOM 174 CA TRP X 11 5.234 0.792 -8.597 1.00 0.00 C
ATOM 175 HA TRP X 11 4.362 0.764 -9.251 1.00 0.00 H
ATOM 176 CB TRP X 11 4.850 0.127 -7.266 1.00 0.00 C
ATOM 177 HB2 TRP X 11 4.640 -0.921 -7.478 1.00 0.00 H
ATOM 178 HB3 TRP X 11 5.675 0.118 -6.554 1.00 0.00 H
ATOM 179 CG TRP X 11 3.638 0.807 -6.649 1.00 0.00 C
ATOM 180 CD1 TRP X 11 3.602 1.748 -5.710 1.00 0.00 C
ATOM 181 HD1 TRP X 11 4.360 2.171 -5.069 1.00 0.00 H
ATOM 182 NE1 TRP X 11 2.382 2.273 -5.563 1.00 0.00 N
ATOM 183 HE1 TRP X 11 2.177 3.099 -5.021 1.00 0.00 H
ATOM 184 CE2 TRP X 11 1.505 1.505 -6.276 1.00 0.00 C
ATOM 185 CZ2 TRP X 11 0.087 1.493 -6.257 1.00 0.00 C
ATOM 186 HZ2 TRP X 11 -0.526 2.206 -5.725 1.00 0.00 H
ATOM 187 CH2 TRP X 11 -0.538 0.542 -7.122 1.00 0.00 C
ATOM 188 HH2 TRP X 11 -1.600 0.527 -7.317 1.00 0.00 H
ATOM 189 CZ3 TRP X 11 0.257 -0.295 -7.984 1.00 0.00 C
ATOM 190 HZ3 TRP X 11 -0.243 -1.027 -8.600 1.00 0.00 H
ATOM 191 CE3 TRP X 11 1.673 -0.256 -8.026 1.00 0.00 C
ATOM 192 HE3 TRP X 11 2.269 -1.023 -8.497 1.00 0.00 H
ATOM 193 CD2 TRP X 11 2.292 0.607 -7.049 1.00 0.00 C
ATOM 194 C TRP X 11 5.641 2.253 -8.427 1.00 0.00 C
ATOM 195 O TRP X 11 6.799 2.484 -8.024 1.00 0.00 O
ATOM 196 N LYS X 12 4.727 3.197 -8.589 1.00 0.00 N
ATOM 197 H LYS X 12 3.823 2.843 -8.867 1.00 0.00 H
ATOM 198 CA LYS X 12 4.877 4.656 -8.500 1.00 0.00 C
ATOM 199 HA LYS X 12 5.707 4.821 -7.813 1.00 0.00 H
ATOM 200 CB LYS X 12 5.111 5.335 -9.823 1.00 0.00 C
ATOM 201 HB2 LYS X 12 4.236 5.372 -10.472 1.00 0.00 H
ATOM 202 HB3 LYS X 12 5.447 6.366 -9.717 1.00 0.00 H
ATOM 203 CG LYS X 12 6.266 4.731 -10.712 1.00 0.00 C
ATOM 204 HG2 LYS X 12 6.082 3.684 -10.950 1.00 0.00 H
ATOM 205 HG3 LYS X 12 6.328 5.107 -11.734 1.00 0.00 H
ATOM 206 CD LYS X 12 7.719 4.862 -10.069 1.00 0.00 C
ATOM 207 HD2 LYS X 12 7.917 5.919 -9.890 1.00 0.00 H
ATOM 208 HD3 LYS X 12 7.755 4.364 -9.100 1.00 0.00 H
ATOM 209 CE LYS X 12 8.826 4.451 -10.953 1.00 0.00 C
ATOM 210 HE2 LYS X 12 8.632 3.545 -11.528 1.00 0.00 H
ATOM 211 HE3 LYS X 12 8.862 5.271 -11.670 1.00 0.00 H
ATOM 212 NZ LYS X 12 10.132 4.402 -10.278 1.00 0.00 N
ATOM 213 HZ1 LYS X 12 10.895 4.381 -10.940 1.00 0.00 H
ATOM 214 HZ2 LYS X 12 10.238 5.210 -9.681 1.00 0.00 H
ATOM 215 HZ3 LYS X 12 10.186 3.611 -9.653 1.00 0.00 H
ATOM 216 C LYS X 12 3.613 5.276 -7.856 1.00 0.00 C
ATOM 217 O LYS X 12 2.530 4.759 -8.048 1.00 0.00 O
ATOM 218 N NHE X 13 3.690 6.391 -7.216 1.00 0.00 N
ATOM 219 HN1 NHE X 13 4.562 6.844 -6.978 1.00 0.00 H
ATOM 220 HN2 NHE X 13 2.780 6.591 -6.826 1.00 0.00 H
TER 221 NHE X 13
ATOM 221 O WAT X 17 2.408 -11.996 7.298 1.00 0.00 O
ATOM 222 H1 WAT X 17 2.852 -11.888 6.457 1.00 0.00 H
ATOM 223 H2 WAT X 17 2.186 -11.105 7.568 1.00 0.00 H
TER 224 WAT X 17
END
|
