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1 HEADER PROTEINASE INHIBITOR (TRYPSIN) 11-DEC-91 1BPT 1BPT 2
2 COMPND BOVINE PANCREATIC TRYPSIN INHIBITOR (/BPTI$) MUTANT (TYR 23 1BPT 3
3 COMPND 2 REPLACED BY ALA) (/Y23A$) 1BPT 4
4 SOURCE BOVINE (BOS $TAURUS) PANCREAS 1BPT 5
5 AUTHOR D.HOUSSET,A.WLODAWER,F.TAO,J.FUCHS,C.WOODWARD 1BPT 6
6 REVDAT 1 15-JAN-93 1BPT 0 1BPT 7
7 JRNL AUTH A.T.DANISHEFSKY,D.HOUSSET,K.-S.KIM,F.TAO,J.FUCHS, 1BPT 8
8 JRNL AUTH 2 C.WOODWARD,A.WLODAWER 1BPT 9
9 JRNL TITL CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES 1BPT 10
10 JRNL TITL 2 OF F22A, Y23A, N43G, AND F45A 1BPT 11
11 JRNL REF TO BE PUBLISHED 1BPT 12
12 JRNL REFN 353 1BPT 13
13 REMARK 1 1BPT 14
14 REMARK 1 REFERENCE 1 1BPT 15
15 REMARK 1 AUTH K.S.KIM,F.TAO,J.FUCHS,A.T.DANISHEFSKY,D.HOUSSET, 1BPT 16
16 REMARK 1 AUTH 2 A.WLODAWER,C.WOODWARD 1BPT 17
17 REMARK 1 TITL CREVICE-FORMING MUTANTS OF BPTI: STABILITY CHANGES 1BPT 18
18 REMARK 1 TITL 2 AND NEW HYDROPHOBIC SURFACE 1BPT 19
19 REMARK 1 REF TO BE PUBLISHED 1BPT 20
20 REMARK 1 REFN 353 1BPT 21
21 REMARK 1 REFERENCE 2 1BPT 22
22 REMARK 1 AUTH D.HOUSSET,K.-*S.KIM,J.FUCHS,C.WOODWARD,A.WLODAWER 1BPT 23
23 REMARK 1 TITL CRYSTAL STRUCTURE OF A /Y35G$ MUTANT OF BOVINE 1BPT 24
24 REMARK 1 TITL 2 PANCREATIC TRYPSIN INHIBITOR 1BPT 25
25 REMARK 1 REF J.MOL.BIOL. V. 220 757 1991 1BPT 26
26 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1BPT 27
27 REMARK 1 REFERENCE 3 1BPT 28
28 REMARK 1 AUTH C.EIGENBROT,M.RANDAL,A.A.KOSSIAKOFF 1BPT 29
29 REMARK 1 TITL STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A 1BPT 30
30 REMARK 1 TITL 2 DISULFIDE-BRIDGE. THE X-RAY STRUCTURE OF THE 1BPT 31
31 REMARK 1 TITL 3 /C30A(SLASH)C51A$ MUTANT OF BASIC PANCREATIC 1BPT 32
32 REMARK 1 TITL 4 TRYPSIN INHIBITOR AT 1.6 ANGSTROMS 1BPT 33
33 REMARK 1 REF PROTEIN ENG. V. 3 591 1990 1BPT 34
34 REMARK 1 REFN ASTM PRENE9 UK ISSN 0269-2139 859 1BPT 35
35 REMARK 1 REFERENCE 4 1BPT 36
36 REMARK 1 AUTH T.R.HYNES,M.RANDAL,L.A.KENNEDY,C.EIGENBROT, 1BPT 37
37 REMARK 1 AUTH 2 A.A.KOSSIAKOFF 1BPT 38
38 REMARK 1 TITL X-RAY CRYSTAL STRUCTURE OF THE PROTEASE INHIBITOR 1BPT 39
39 REMARK 1 TITL 2 DOMAIN OF ALZHEIMER'S AMYLOID BETA-*PROTEIN 1BPT 40
40 REMARK 1 TITL 3 PRECURSOR 1BPT 41
41 REMARK 1 REF BIOCHEMISTRY V. 29 10018 1990 1BPT 42
42 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 033 1BPT 43
43 REMARK 1 REFERENCE 5 1BPT 44
44 REMARK 1 AUTH A.WLODAWER,J.NACHMAN,G.L.GILLILAND,W.GALLAGHER 1BPT 45
45 REMARK 1 AUTH 2 C.WOODWARD 1BPT 46
46 REMARK 1 TITL STRUCTURE OF FORM /III$ CRYSTALS OF BOVINE 1BPT 47
47 REMARK 1 TITL 2 PANCREATIC TRYPSIN INHIBITOR. 1BPT 48
48 REMARK 1 REF J.MOL.BIOL. V. 198 469 1987 1BPT 49
49 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1BPT 50
50 REMARK 1 REFERENCE 6 1BPT 51
51 REMARK 1 AUTH A.WLODAWER,J.WALTER,R.HUBER,L.SJOLIN 1BPT 52
52 REMARK 1 TITL STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. 1BPT 53
53 REMARK 1 TITL 2 RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF 1BPT 54
54 REMARK 1 TITL 3 CRYSTAL FORM /II$ 1BPT 55
55 REMARK 1 REF J.MOL.BIOL. V. 180 307 1984 1BPT 56
56 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1BPT 57
57 REMARK 1 REFERENCE 7 1BPT 58
58 REMARK 1 AUTH A.WLODAWER,J.DEISENHOFER,R.HUBER 1BPT 59
59 REMARK 1 TITL COMPARISON OF TWO HIGHLY REFINED STRUCTURES OF 1BPT 60
60 REMARK 1 TITL 2 BOVINE PANCREATIC TRYPSIN INHIBITOR 1BPT 61
61 REMARK 1 REF J.MOL.BIOL. V. 193 145 1987 1BPT 62
62 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1BPT 63
63 REMARK 1 REFERENCE 8 1BPT 64
64 REMARK 1 AUTH J.WALTER,R.HUBER 1BPT 65
65 REMARK 1 TITL PANCREATIC TRYPSIN INHIBITOR. A NEW CRYSTAL FORM 1BPT 66
66 REMARK 1 TITL 2 AND ITS ANALYSIS 1BPT 67
67 REMARK 1 REF J.MOL.BIOL. V. 167 911 1983 1BPT 68
68 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1BPT 69
69 REMARK 2 1BPT 70
70 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1BPT 71
71 REMARK 3 1BPT 72
72 REMARK 3 REFINEMENT. 1BPT 73
73 REMARK 3 PROGRAM XPLOR 1BPT 74
74 REMARK 3 AUTHORS BRUENGER 1BPT 75
75 REMARK 3 R VALUE 0.165 1BPT 76
76 REMARK 3 RMSD BOND DISTANCES 0.018 ANGSTROMS 1BPT 77
77 REMARK 4 1BPT 78
78 REMARK 4 THERE WAS NO DENSITY FOR THE FINAL TWO CARBOXY-TERMINAL 1BPT 79
79 REMARK 4 RESIDUES (GLY 57 AND ALA 58) IN THE FINAL MAPS. 1BPT 80
80 REMARK 5 1BPT 81
81 REMARK 5 COORDINATES FOR 40 WATER MOLECULES ARE GIVEN FOLLOWING THE 1BPT 82
82 REMARK 5 MAIN BODY OF THE PROTEIN. THE NOMENCLATURE OF THE WATER 1BPT 83
83 REMARK 5 MOLECULES IS THAT OF THE DEPOSITORS. 1BPT 84
84 SEQRES 1 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO 1BPT 85
85 SEQRES 2 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE ALA ASN ALA LYS 1BPT 86
86 SEQRES 3 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG 1BPT 87
87 SEQRES 4 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET 1BPT 88
88 SEQRES 5 58 ARG THR CYS GLY GLY ALA 1BPT 89
89 HET PO4 70 5 PHOSPHATE ION 1BPT 90
90 FORMUL 2 PO4 O4 P1 -- 1BPT 91
91 FORMUL 3 HOH *40(H2 O1) 1BPT 92
92 HELIX 1 H1 PRO 2 GLU 7 5 ALL DONORS,ACCEPTORS INCLUDED 1BPT 93
93 HELIX 2 H2 SER 47 GLY 56 1 ALL DONORS,ACCEPTORS INCLUDED 1BPT 94
94 SHEET 1 S1 3 LEU 29 TYR 35 0 1BPT 95
95 SHEET 2 S1 3 ILE 18 ASN 24 -1 N ILE 18 O TYR 35 1BPT 96
96 SHEET 3 S1 3 PHE 45 PHE 45 -1 N PHE 45 O TYR 21 1BPT 97
97 SSBOND 1 CYS 5 CYS 55 1BPT 98
98 SSBOND 2 CYS 14 CYS 38 1BPT 99
99 SSBOND 3 CYS 30 CYS 51 1BPT 100
100 CRYST1 69.469 23.346 29.188 90.00 90.00 90.00 P 21 21 21 4 1BPT 101
101 ORIGX1 1.000000 0.000000 0.000000 0.00000 1BPT 102
102 ORIGX2 0.000000 1.000000 0.000000 0.00000 1BPT 103
103 ORIGX3 0.000000 0.000000 1.000000 0.00000 1BPT 104
104 SCALE1 0.014395 0.000000 0.000000 0.00000 1BPT 105
105 SCALE2 0.000000 0.042834 0.000000 0.00000 1BPT 106
106 SCALE3 0.000000 0.000000 0.034261 0.00000 1BPT 107
107 ATOM 1 N ARG 1 29.292 13.212 -12.751 1.00 33.78 1BPT 108
108 ATOM 2 CA ARG 1 29.057 12.019 -11.946 1.00 27.63 1BPT 109
109 ATOM 3 C ARG 1 30.419 11.466 -11.478 1.00 29.64 1BPT 110
110 ATOM 4 O ARG 1 31.064 10.670 -12.174 1.00 27.67 1BPT 111
111 ATOM 5 CB ARG 1 28.297 10.939 -12.700 1.00 28.82 1BPT 112
112 ATOM 6 CG ARG 1 27.925 9.695 -11.892 1.00 25.04 1BPT 113
113 ATOM 7 CD ARG 1 26.990 10.102 -10.814 1.00 36.35 1BPT 114
114 ATOM 8 NE ARG 1 25.671 9.509 -10.875 1.00 43.70 1BPT 115
115 ATOM 9 CZ ARG 1 25.299 8.414 -10.207 1.00 44.64 1BPT 116
116 ATOM 10 NH1 ARG 1 26.105 7.749 -9.392 1.00 44.80 1BPT 117
117 ATOM 11 NH2 ARG 1 24.055 7.949 -10.340 1.00 51.16 1BPT 118
118 ATOM 12 N PRO 2 30.790 11.942 -10.291 1.00 26.52 1BPT 119
119 ATOM 13 CA PRO 2 32.005 11.512 -9.585 1.00 25.70 1BPT 120
120 ATOM 14 C PRO 2 32.010 9.993 -9.473 1.00 22.30 1BPT 121
121 ATOM 15 O PRO 2 30.968 9.316 -9.390 1.00 22.80 1BPT 122
122 ATOM 16 CB PRO 2 31.892 12.166 -8.209 1.00 25.93 1BPT 123
123 ATOM 17 CG PRO 2 31.000 13.378 -8.442 1.00 26.12 1BPT 124
124 ATOM 18 CD PRO 2 29.997 12.890 -9.480 1.00 27.15 1BPT 125
125 ATOM 19 N ASP 3 33.188 9.438 -9.467 1.00 21.36 1BPT 126
126 ATOM 20 CA ASP 3 33.386 7.984 -9.444 1.00 21.85 1BPT 127
127 ATOM 21 C ASP 3 32.859 7.313 -8.187 1.00 18.86 1BPT 128
128 ATOM 22 O ASP 3 32.477 6.121 -8.298 1.00 9.03 1BPT 129
129 ATOM 23 CB ASP 3 34.849 7.659 -9.800 1.00 30.83 1BPT 130
130 ATOM 24 CG ASP 3 35.257 8.386 -11.083 1.00 41.90 1BPT 131
131 ATOM 25 OD1 ASP 3 34.882 7.832 -12.153 1.00 42.04 1BPT 132
132 ATOM 26 OD2 ASP 3 35.864 9.473 -10.980 1.00 43.78 1BPT 133
133 ATOM 27 N PHE 4 32.841 8.042 -7.067 1.00 14.13 1BPT 134
134 ATOM 28 CA PHE 4 32.406 7.481 -5.780 1.00 12.89 1BPT 135
135 ATOM 29 C PHE 4 30.894 7.286 -5.768 1.00 12.89 1BPT 136
136 ATOM 30 O PHE 4 30.393 6.509 -4.938 1.00 12.42 1BPT 137
137 ATOM 31 CB PHE 4 32.998 8.208 -4.578 1.00 13.83 1BPT 138
138 ATOM 32 CG PHE 4 32.588 9.662 -4.482 1.00 10.93 1BPT 139
139 ATOM 33 CD1 PHE 4 31.311 9.973 -3.991 1.00 12.72 1BPT 140
140 ATOM 34 CD2 PHE 4 33.414 10.650 -4.951 1.00 13.53 1BPT 141
141 ATOM 35 CE1 PHE 4 30.896 11.308 -3.928 1.00 15.82 1BPT 142
142 ATOM 36 CE2 PHE 4 33.041 12.001 -4.878 1.00 14.51 1BPT 143
143 ATOM 37 CZ PHE 4 31.765 12.300 -4.388 1.00 10.66 1BPT 144
144 ATOM 38 N CYS 5 30.213 7.889 -6.711 1.00 11.30 1BPT 145
145 ATOM 39 CA CYS 5 28.751 7.756 -6.894 1.00 8.91 1BPT 146
146 ATOM 40 C CYS 5 28.333 6.353 -7.318 1.00 9.64 1BPT 147
147 ATOM 41 O CYS 5 27.197 5.876 -7.108 1.00 7.73 1BPT 148
148 ATOM 42 CB CYS 5 28.387 8.851 -7.898 1.00 11.12 1BPT 149
149 ATOM 43 SG CYS 5 28.579 10.549 -7.280 1.00 12.16 1BPT 150
150 ATOM 44 N LEU 6 29.193 5.558 -7.897 1.00 4.74 1BPT 151
151 ATOM 45 CA LEU 6 29.077 4.189 -8.326 1.00 6.59 1BPT 152
152 ATOM 46 C LEU 6 29.483 3.225 -7.187 1.00 9.26 1BPT 153
153 ATOM 47 O LEU 6 29.266 1.982 -7.343 1.00 13.32 1BPT 154
154 ATOM 48 CB LEU 6 29.823 3.914 -9.616 1.00 11.74 1BPT 155
155 ATOM 49 CG LEU 6 29.250 4.089 -11.024 1.00 15.14 1BPT 156
156 ATOM 50 CD1 LEU 6 28.437 5.346 -11.272 1.00 16.39 1BPT 157
157 ATOM 51 CD2 LEU 6 30.480 4.138 -11.961 1.00 10.37 1BPT 158
158 ATOM 52 N GLU 7 29.975 3.690 -6.075 1.00 9.37 1BPT 159
159 ATOM 53 CA GLU 7 30.343 2.830 -4.930 1.00 13.11 1BPT 160
160 ATOM 54 C GLU 7 29.096 2.241 -4.249 1.00 10.70 1BPT 161
161 ATOM 55 O GLU 7 28.116 2.999 -4.165 1.00 9.68 1BPT 162
162 ATOM 56 CB GLU 7 30.967 3.613 -3.776 1.00 19.20 1BPT 163
163 ATOM 57 CG GLU 7 32.359 3.902 -3.452 1.00 23.47 1BPT 164
164 ATOM 58 CD GLU 7 32.867 5.001 -2.582 1.00 27.28 1BPT 165
165 ATOM 59 OE1 GLU 7 32.230 5.418 -1.584 1.00 20.35 1BPT 166
166 ATOM 60 OE2 GLU 7 33.979 5.507 -2.848 1.00 29.04 1BPT 167
167 ATOM 61 N PRO 8 29.242 1.021 -3.736 1.00 10.63 1BPT 168
168 ATOM 62 CA PRO 8 28.178 0.413 -2.939 1.00 11.56 1BPT 169
169 ATOM 63 C PRO 8 28.214 1.124 -1.566 1.00 8.44 1BPT 170
170 ATOM 64 O PRO 8 29.236 1.677 -1.137 1.00 6.60 1BPT 171
171 ATOM 65 CB PRO 8 28.549 -1.058 -2.811 1.00 11.83 1BPT 172
172 ATOM 66 CG PRO 8 30.015 -1.151 -3.101 1.00 11.19 1BPT 173
173 ATOM 67 CD PRO 8 30.413 0.125 -3.811 1.00 10.52 1BPT 174
174 ATOM 68 N PRO 9 27.095 1.120 -0.895 1.00 8.82 1BPT 175
175 ATOM 69 CA PRO 9 27.024 1.732 0.456 1.00 7.22 1BPT 176
176 ATOM 70 C PRO 9 27.918 0.926 1.409 1.00 8.58 1BPT 177
177 ATOM 71 O PRO 9 28.136 -0.308 1.289 1.00 9.21 1BPT 178
178 ATOM 72 CB PRO 9 25.565 1.704 0.830 1.00 8.50 1BPT 179
179 ATOM 73 CG PRO 9 24.820 0.922 -0.252 1.00 8.80 1BPT 180
180 ATOM 74 CD PRO 9 25.831 0.488 -1.289 1.00 8.43 1BPT 181
181 ATOM 75 N TYR 10 28.489 1.597 2.363 1.00 5.10 1BPT 182
182 ATOM 76 CA TYR 10 29.355 0.981 3.369 1.00 7.77 1BPT 183
183 ATOM 77 C TYR 10 28.862 1.292 4.801 1.00 6.47 1BPT 184
184 ATOM 78 O TYR 10 29.004 2.426 5.260 1.00 5.08 1BPT 185
185 ATOM 79 CB TYR 10 30.776 1.548 3.188 1.00 10.29 1BPT 186
186 ATOM 80 CG TYR 10 31.812 0.865 4.029 1.00 3.16 1BPT 187
187 ATOM 81 CD1 TYR 10 32.181 -0.458 3.705 1.00 8.41 1BPT 188
188 ATOM 82 CD2 TYR 10 32.424 1.521 5.086 1.00 6.18 1BPT 189
189 ATOM 83 CE1 TYR 10 33.149 -1.084 4.464 1.00 15.04 1BPT 190
190 ATOM 84 CE2 TYR 10 33.412 0.896 5.832 1.00 6.33 1BPT 191
191 ATOM 85 CZ TYR 10 33.728 -0.425 5.565 1.00 8.46 1BPT 192
192 ATOM 86 OH TYR 10 34.706 -1.029 6.302 1.00 18.91 1BPT 193
193 ATOM 87 N THR 11 28.424 0.231 5.434 1.00 6.57 1BPT 194
194 ATOM 88 CA THR 11 27.936 0.236 6.812 1.00 8.79 1BPT 195
195 ATOM 89 C THR 11 29.135 0.441 7.754 1.00 11.72 1BPT 196
196 ATOM 90 O THR 11 29.083 1.299 8.664 1.00 8.91 1BPT 197
197 ATOM 91 CB THR 11 27.128 -1.066 7.132 1.00 9.23 1BPT 198
198 ATOM 92 OG1 THR 11 25.915 -0.877 6.315 1.00 11.90 1BPT 199
199 ATOM 93 CG2 THR 11 26.632 -1.251 8.598 1.00 9.84 1BPT 200
200 ATOM 94 N GLY 12 30.177 -0.374 7.495 1.00 7.42 1BPT 201
201 ATOM 95 CA GLY 12 31.386 -0.224 8.306 1.00 5.96 1BPT 202
202 ATOM 96 C GLY 12 31.203 -1.147 9.527 1.00 12.57 1BPT 203
203 ATOM 97 O GLY 12 30.172 -1.792 9.683 1.00 8.90 1BPT 204
204 ATOM 98 N PRO 13 32.259 -1.145 10.334 1.00 9.49 1BPT 205
205 ATOM 99 CA PRO 13 32.384 -1.978 11.478 1.00 11.26 1BPT 206
206 ATOM 100 C PRO 13 31.761 -1.570 12.787 1.00 10.42 1BPT 207
207 ATOM 101 O PRO 13 31.739 -2.455 13.698 1.00 9.05 1BPT 208
208 ATOM 102 CB PRO 13 33.930 -2.112 11.625 1.00 12.73 1BPT 209
209 ATOM 103 CG PRO 13 34.418 -0.761 11.150 1.00 12.37 1BPT 210
210 ATOM 104 CD PRO 13 33.504 -0.375 10.028 1.00 9.04 1BPT 211
211 ATOM 105 N CYS 14 31.284 -0.361 12.916 1.00 9.07 1BPT 212
212 ATOM 106 CA CYS 14 30.645 0.049 14.197 1.00 10.05 1BPT 213
213 ATOM 107 C CYS 14 29.209 -0.417 14.208 1.00 13.02 1BPT 214
214 ATOM 108 O CYS 14 28.598 -0.805 13.198 1.00 11.90 1BPT 215
215 ATOM 109 CB CYS 14 30.904 1.510 14.446 1.00 7.60 1BPT 216
216 ATOM 110 SG CYS 14 32.618 1.798 14.807 1.00 11.36 1BPT 217
217 ATOM 111 N LYS 15 28.649 -0.419 15.375 1.00 15.92 1BPT 218
218 ATOM 112 CA LYS 15 27.336 -0.923 15.756 1.00 15.34 1BPT 219
219 ATOM 113 C LYS 15 26.228 0.042 16.097 1.00 15.21 1BPT 220
220 ATOM 114 O LYS 15 25.303 -0.309 16.854 1.00 19.24 1BPT 221
221 ATOM 115 CB LYS 15 27.580 -1.878 16.945 1.00 11.46 1BPT 222
222 ATOM 116 CG LYS 15 27.956 -3.321 16.572 1.00 19.41 1BPT 223
223 ATOM 117 CD LYS 15 29.204 -3.436 15.742 1.00 19.90 1BPT 224
224 ATOM 118 CE LYS 15 29.694 -4.836 15.472 1.00 20.37 1BPT 225
225 ATOM 119 NZ LYS 15 30.440 -5.364 16.680 1.00 25.63 1BPT 226
226 ATOM 120 N ALA 16 26.223 1.260 15.569 1.00 11.74 1BPT 227
227 ATOM 121 CA ALA 16 25.109 2.169 15.768 1.00 7.48 1BPT 228
228 ATOM 122 C ALA 16 24.174 1.935 14.571 1.00 4.01 1BPT 229
229 ATOM 123 O ALA 16 24.497 1.277 13.592 1.00 5.07 1BPT 230
230 ATOM 124 CB ALA 16 25.536 3.634 15.859 1.00 5.63 1BPT 231
231 ATOM 125 N ARG 17 22.998 2.500 14.683 1.00 8.74 1BPT 232
232 ATOM 126 CA ARG 17 21.990 2.475 13.592 1.00 11.74 1BPT 233
233 ATOM 127 C ARG 17 21.767 3.981 13.235 1.00 7.15 1BPT 234
234 ATOM 128 O ARG 17 21.022 4.658 13.964 1.00 10.78 1BPT 235
235 ATOM 129 CB ARG 17 20.614 1.926 13.959 1.00 6.42 1BPT 236
236 ATOM 130 CG ARG 17 20.105 0.880 12.983 1.00 15.99 1BPT 237
237 ATOM 131 CD ARG 17 19.624 -0.289 13.808 1.00 9.00 1BPT 238
238 ATOM 132 NE ARG 17 18.355 0.098 14.439 1.00 18.94 1BPT 239
239 ATOM 133 CZ ARG 17 17.708 -0.673 15.324 1.00 17.07 1BPT 240
240 ATOM 134 NH1 ARG 17 18.221 -1.843 15.720 1.00 10.96 1BPT 241
241 ATOM 135 NH2 ARG 17 16.495 -0.327 15.731 1.00 15.74 1BPT 242
242 ATOM 136 N ILE 18 22.497 4.428 12.250 1.00 8.62 1BPT 243
243 ATOM 137 CA ILE 18 22.423 5.788 11.715 1.00 10.26 1BPT 244
244 ATOM 138 C ILE 18 21.950 5.730 10.266 1.00 9.38 1BPT 245
245 ATOM 139 O ILE 18 22.480 5.004 9.421 1.00 8.61 1BPT 246
246 ATOM 140 CB ILE 18 23.762 6.554 11.785 1.00 13.44 1BPT 247
247 ATOM 141 CG1 ILE 18 24.274 6.512 13.260 1.00 10.02 1BPT 248
248 ATOM 142 CG2 ILE 18 23.602 8.014 11.254 1.00 10.50 1BPT 249
249 ATOM 143 CD1 ILE 18 25.764 6.903 13.344 1.00 10.74 1BPT 250
250 ATOM 144 N ILE 19 20.867 6.472 10.022 1.00 15.71 1BPT 251
251 ATOM 145 CA ILE 19 20.335 6.459 8.640 1.00 13.86 1BPT 252
252 ATOM 146 C ILE 19 20.970 7.606 7.855 1.00 13.32 1BPT 253
253 ATOM 147 O ILE 19 20.910 8.763 8.262 1.00 11.39 1BPT 254
254 ATOM 148 CB ILE 19 18.788 6.485 8.581 1.00 13.72 1BPT 255
255 ATOM 149 CG1 ILE 19 18.252 5.154 9.150 1.00 6.44 1BPT 256
256 ATOM 150 CG2 ILE 19 18.282 6.719 7.120 1.00 12.60 1BPT 257
257 ATOM 151 CD1 ILE 19 18.299 5.180 10.698 1.00 16.15 1BPT 258
258 ATOM 152 N ARG 20 21.588 7.204 6.751 1.00 11.35 1BPT 259
259 ATOM 153 CA ARG 20 22.236 8.068 5.785 1.00 9.74 1BPT 260
260 ATOM 154 C ARG 20 21.695 7.783 4.382 1.00 6.30 1BPT 261
261 ATOM 155 O ARG 20 20.944 6.791 4.218 1.00 9.59 1BPT 262
262 ATOM 156 CB ARG 20 23.771 7.817 5.751 1.00 9.39 1BPT 263
263 ATOM 157 CG ARG 20 24.296 7.949 7.188 1.00 2.00 1BPT 264
264 ATOM 158 CD ARG 20 24.046 9.346 7.751 1.00 11.19 1BPT 265
265 ATOM 159 NE ARG 20 25.357 9.939 7.653 1.00 16.42 1BPT 266
266 ATOM 160 CZ ARG 20 26.326 10.113 8.491 1.00 17.82 1BPT 267
267 ATOM 161 NH1 ARG 20 26.238 10.069 9.811 1.00 20.52 1BPT 268
268 ATOM 162 NH2 ARG 20 27.584 10.026 7.945 1.00 11.96 1BPT 269
269 ATOM 163 N TYR 21 22.153 8.566 3.449 1.00 3.50 1BPT 270
270 ATOM 164 CA TYR 21 21.802 8.399 2.032 1.00 4.17 1BPT 271
271 ATOM 165 C TYR 21 23.053 8.021 1.197 1.00 9.33 1BPT 272
272 ATOM 166 O TYR 21 24.153 8.520 1.489 1.00 9.71 1BPT 273
273 ATOM 167 CB TYR 21 21.233 9.689 1.363 1.00 2.47 1BPT 274
274 ATOM 168 CG TYR 21 19.856 9.977 1.902 1.00 5.78 1BPT 275
275 ATOM 169 CD1 TYR 21 18.714 9.405 1.346 1.00 8.74 1BPT 276
276 ATOM 170 CD2 TYR 21 19.722 10.802 3.013 1.00 5.70 1BPT 277
277 ATOM 171 CE1 TYR 21 17.462 9.666 1.913 1.00 8.01 1BPT 278
278 ATOM 172 CE2 TYR 21 18.482 11.081 3.558 1.00 11.15 1BPT 279
279 ATOM 173 CZ TYR 21 17.360 10.496 2.999 1.00 9.06 1BPT 280
280 ATOM 174 OH TYR 21 16.131 10.758 3.524 1.00 17.41 1BPT 281
281 ATOM 175 N PHE 22 22.829 7.168 0.207 1.00 4.91 1BPT 282
282 ATOM 176 CA PHE 22 23.752 6.692 -0.783 1.00 4.40 1BPT 283
283 ATOM 177 C PHE 22 23.022 6.846 -2.150 1.00 7.34 1BPT 284
284 ATOM 178 O PHE 22 21.797 6.782 -2.278 1.00 6.82 1BPT 285
285 ATOM 179 CB PHE 22 24.275 5.290 -0.661 1.00 2.00 1BPT 286
286 ATOM 180 CG PHE 22 23.364 4.150 -0.996 1.00 5.18 1BPT 287
287 ATOM 181 CD1 PHE 22 22.275 3.834 -0.223 1.00 2.00 1BPT 288
288 ATOM 182 CD2 PHE 22 23.583 3.377 -2.136 1.00 5.44 1BPT 289
289 ATOM 183 CE1 PHE 22 21.466 2.719 -0.446 1.00 6.36 1BPT 290
290 ATOM 184 CE2 PHE 22 22.782 2.296 -2.447 1.00 5.66 1BPT 291
291 ATOM 185 CZ PHE 22 21.709 1.949 -1.597 1.00 10.45 1BPT 292
292 ATOM 186 N ALA 23 23.845 7.069 -3.162 1.00 9.17 1BPT 293
293 ATOM 187 CA ALA 23 23.410 7.217 -4.539 1.00 7.19 1BPT 294
294 ATOM 188 C ALA 23 23.463 5.773 -5.115 1.00 9.37 1BPT 295
295 ATOM 189 O ALA 23 24.506 5.134 -4.936 1.00 8.29 1BPT 296
296 ATOM 190 CB ALA 23 24.352 8.087 -5.360 1.00 4.05 1BPT 297
297 ATOM 191 N ASN 24 22.400 5.354 -5.693 1.00 7.55 1BPT 298
298 ATOM 192 CA ASN 24 22.126 4.088 -6.326 1.00 15.15 1BPT 299
299 ATOM 193 C ASN 24 22.120 4.301 -7.848 1.00 14.72 1BPT 300
300 ATOM 194 O ASN 24 21.083 4.569 -8.463 1.00 22.72 1BPT 301
301 ATOM 195 CB ASN 24 20.788 3.517 -5.804 1.00 19.37 1BPT 302
302 ATOM 196 CG ASN 24 20.802 1.994 -5.932 1.00 26.23 1BPT 303
303 ATOM 197 OD1 ASN 24 21.039 1.448 -7.013 1.00 21.38 1BPT 304
304 ATOM 198 ND2 ASN 24 20.644 1.338 -4.770 1.00 31.83 1BPT 305
305 ATOM 199 N ALA 25 23.301 4.247 -8.411 1.00 17.58 1BPT 306
306 ATOM 200 CA ALA 25 23.706 4.425 -9.774 1.00 17.08 1BPT 307
307 ATOM 201 C ALA 25 22.839 3.573 -10.736 1.00 21.07 1BPT 308
308 ATOM 202 O ALA 25 22.702 3.982 -11.887 1.00 16.65 1BPT 309
309 ATOM 203 CB ALA 25 25.187 4.093 -9.933 1.00 11.69 1BPT 310
310 ATOM 204 N LYS 26 22.312 2.473 -10.242 1.00 19.28 1BPT 311
311 ATOM 205 CA LYS 26 21.466 1.487 -10.891 1.00 22.03 1BPT 312
312 ATOM 206 C LYS 26 20.014 1.952 -10.989 1.00 24.09 1BPT 313
313 ATOM 207 O LYS 26 19.442 1.857 -12.084 1.00 23.97 1BPT 314
314 ATOM 208 CB LYS 26 21.491 0.169 -10.130 1.00 22.95 1BPT 315
315 ATOM 209 CG LYS 26 21.106 -1.100 -10.859 1.00 28.77 1BPT 316
316 ATOM 210 CD LYS 26 22.013 -1.383 -12.055 1.00 29.92 1BPT 317
317 ATOM 211 CE LYS 26 22.610 -2.772 -11.994 1.00 25.89 1BPT 318
318 ATOM 212 NZ LYS 26 23.796 -2.860 -12.900 1.00 25.18 1BPT 319
319 ATOM 213 N ALA 27 19.497 2.488 -9.874 1.00 22.92 1BPT 320
320 ATOM 214 CA ALA 27 18.103 2.961 -9.823 1.00 19.83 1BPT 321
321 ATOM 215 C ALA 27 17.967 4.434 -10.123 1.00 20.29 1BPT 322
322 ATOM 216 O ALA 27 16.824 4.929 -10.240 1.00 23.87 1BPT 323
323 ATOM 217 CB ALA 27 17.441 2.549 -8.518 1.00 16.72 1BPT 324
324 ATOM 218 N GLY 28 19.057 5.153 -10.273 1.00 16.11 1BPT 325
325 ATOM 219 CA GLY 28 19.062 6.550 -10.586 1.00 17.38 1BPT 326
326 ATOM 220 C GLY 28 18.483 7.415 -9.466 1.00 18.84 1BPT 327
327 ATOM 221 O GLY 28 18.119 8.579 -9.690 1.00 16.95 1BPT 328
328 ATOM 222 N LEU 29 18.443 6.832 -8.287 1.00 21.25 1BPT 329
329 ATOM 223 CA LEU 29 17.947 7.407 -7.024 1.00 21.57 1BPT 330
330 ATOM 224 C LEU 29 18.945 7.497 -5.866 1.00 18.12 1BPT 331
331 ATOM 225 O LEU 29 19.896 6.727 -5.858 1.00 21.34 1BPT 332
332 ATOM 226 CB LEU 29 17.024 6.228 -6.528 1.00 23.29 1BPT 333
333 ATOM 227 CG LEU 29 15.567 6.158 -6.693 1.00 19.66 1BPT 334
334 ATOM 228 CD1 LEU 29 15.044 6.893 -7.909 1.00 21.45 1BPT 335
335 ATOM 229 CD2 LEU 29 15.225 4.662 -6.813 1.00 20.64 1BPT 336
336 ATOM 230 N CYS 30 18.644 8.243 -4.834 1.00 15.30 1BPT 337
337 ATOM 231 CA CYS 30 19.386 8.332 -3.584 1.00 13.07 1BPT 338
338 ATOM 232 C CYS 30 18.461 7.549 -2.587 1.00 11.85 1BPT 339
339 ATOM 233 O CYS 30 17.266 7.847 -2.545 1.00 9.49 1BPT 340
340 ATOM 234 CB CYS 30 19.618 9.746 -3.030 1.00 7.99 1BPT 341
341 ATOM 235 SG CYS 30 20.895 10.605 -3.992 1.00 11.01 1BPT 342
342 ATOM 236 N GLN 31 19.006 6.552 -1.970 1.00 8.48 1BPT 343
343 ATOM 237 CA GLN 31 18.317 5.700 -1.038 1.00 6.54 1BPT 344
344 ATOM 238 C GLN 31 19.100 5.705 0.281 1.00 5.06 1BPT 345
345 ATOM 239 O GLN 31 20.258 6.027 0.325 1.00 10.97 1BPT 346
346 ATOM 240 CB GLN 31 18.127 4.265 -1.486 1.00 6.08 1BPT 347
347 ATOM 241 CG GLN 31 17.649 4.129 -2.917 1.00 10.54 1BPT 348
348 ATOM 242 CD GLN 31 17.592 2.652 -3.291 1.00 15.80 1BPT 349
349 ATOM 243 OE1 GLN 31 18.591 1.933 -3.214 1.00 13.15 1BPT 350
350 ATOM 244 NE2 GLN 31 16.345 2.282 -3.638 1.00 16.64 1BPT 351
351 ATOM 245 N THR 32 18.377 5.323 1.264 1.00 6.87 1BPT 352
352 ATOM 246 CA THR 32 18.655 5.165 2.680 1.00 7.62 1BPT 353
353 ATOM 247 C THR 32 19.331 3.843 2.925 1.00 4.54 1BPT 354
354 ATOM 248 O THR 32 19.028 2.743 2.403 1.00 9.34 1BPT 355
355 ATOM 249 CB THR 32 17.212 5.330 3.366 1.00 11.68 1BPT 356
356 ATOM 250 OG1 THR 32 17.146 6.586 4.121 1.00 16.76 1BPT 357
357 ATOM 251 CG2 THR 32 16.592 4.169 4.025 1.00 11.13 1BPT 358
358 ATOM 252 N PHE 33 20.325 3.905 3.792 1.00 6.01 1BPT 359
359 ATOM 253 CA PHE 33 21.049 2.679 4.214 1.00 5.51 1BPT 360
360 ATOM 254 C PHE 33 21.391 2.964 5.697 1.00 5.03 1BPT 361
361 ATOM 255 O PHE 33 21.307 4.127 6.134 1.00 2.00 1BPT 362
362 ATOM 256 CB PHE 33 22.237 2.311 3.301 1.00 6.21 1BPT 363
363 ATOM 257 CG PHE 33 23.481 3.115 3.586 1.00 7.37 1BPT 364
364 ATOM 258 CD1 PHE 33 23.551 4.451 3.178 1.00 3.42 1BPT 365
365 ATOM 259 CD2 PHE 33 24.548 2.490 4.242 1.00 5.10 1BPT 366
366 ATOM 260 CE1 PHE 33 24.689 5.209 3.481 1.00 4.87 1BPT 367
367 ATOM 261 CE2 PHE 33 25.680 3.270 4.545 1.00 3.64 1BPT 368
368 ATOM 262 CZ PHE 33 25.736 4.604 4.188 1.00 4.11 1BPT 369
369 ATOM 263 N VAL 34 21.791 1.844 6.303 1.00 7.77 1BPT 370
370 ATOM 264 CA VAL 34 22.179 1.847 7.727 1.00 7.30 1BPT 371
371 ATOM 265 C VAL 34 23.698 2.016 7.870 1.00 5.82 1BPT 372
372 ATOM 266 O VAL 34 24.383 1.128 7.464 1.00 7.30 1BPT 373
373 ATOM 267 CB VAL 34 21.710 0.602 8.491 1.00 12.10 1BPT 374
374 ATOM 268 CG1 VAL 34 22.162 0.650 9.973 1.00 9.39 1BPT 375
375 ATOM 269 CG2 VAL 34 20.174 0.525 8.409 1.00 15.65 1BPT 376
376 ATOM 270 N TYR 35 24.091 3.158 8.410 1.00 5.38 1BPT 377
377 ATOM 271 CA TYR 35 25.512 3.474 8.630 1.00 4.86 1BPT 378
378 ATOM 272 C TYR 35 25.853 3.141 10.089 1.00 6.21 1BPT 379
379 ATOM 273 O TYR 35 25.096 3.564 11.002 1.00 5.98 1BPT 380
380 ATOM 274 CB TYR 35 25.736 4.938 8.236 1.00 5.98 1BPT 381
381 ATOM 275 CG TYR 35 27.123 5.423 8.667 1.00 8.66 1BPT 382
382 ATOM 276 CD1 TYR 35 28.268 4.755 8.295 1.00 5.52 1BPT 383
383 ATOM 277 CD2 TYR 35 27.254 6.531 9.488 1.00 5.03 1BPT 384
384 ATOM 278 CE1 TYR 35 29.512 5.168 8.668 1.00 4.71 1BPT 385
385 ATOM 279 CE2 TYR 35 28.510 6.966 9.884 1.00 5.81 1BPT 386
386 ATOM 280 CZ TYR 35 29.623 6.289 9.481 1.00 3.57 1BPT 387
387 ATOM 281 OH TYR 35 30.830 6.742 9.901 1.00 13.53 1BPT 388
388 ATOM 282 N GLY 36 26.877 2.383 10.299 1.00 9.83 1BPT 389
389 ATOM 283 CA GLY 36 27.457 1.871 11.546 1.00 11.89 1BPT 390
390 ATOM 284 C GLY 36 28.028 2.897 12.527 1.00 10.62 1BPT 391
391 ATOM 285 O GLY 36 28.257 2.623 13.728 1.00 6.24 1BPT 392
392 ATOM 286 N GLY 37 28.306 4.113 12.087 1.00 10.90 1BPT 393
393 ATOM 287 CA GLY 37 28.806 5.132 13.062 1.00 8.57 1BPT 394
394 ATOM 288 C GLY 37 30.264 5.436 12.901 1.00 11.39 1BPT 395
395 ATOM 289 O GLY 37 30.788 6.346 13.587 1.00 12.05 1BPT 396
396 ATOM 290 N CYS 38 30.958 4.608 12.100 1.00 11.97 1BPT 397
397 ATOM 291 CA CYS 38 32.402 4.846 11.895 1.00 10.71 1BPT 398
398 ATOM 292 C CYS 38 32.879 4.309 10.558 1.00 7.26 1BPT 399
399 ATOM 293 O CYS 38 32.377 3.284 10.069 1.00 10.85 1BPT 400
400 ATOM 294 CB CYS 38 33.254 4.254 13.025 1.00 5.40 1BPT 401
401 ATOM 295 SG CYS 38 33.463 2.472 13.064 1.00 11.31 1BPT 402
402 ATOM 296 N ARG 39 33.888 5.024 10.044 1.00 7.90 1BPT 403
403 ATOM 297 CA ARG 39 34.612 4.645 8.827 1.00 9.16 1BPT 404
404 ATOM 298 C ARG 39 33.852 4.820 7.536 1.00 5.75 1BPT 405
405 ATOM 299 O ARG 39 33.993 4.050 6.590 1.00 7.37 1BPT 406
406 ATOM 300 CB ARG 39 35.284 3.233 8.942 1.00 13.97 1BPT 407
407 ATOM 301 CG ARG 39 36.652 3.311 9.588 1.00 23.19 1BPT 408
408 ATOM 302 CD ARG 39 37.108 2.346 10.584 1.00 26.99 1BPT 409
409 ATOM 303 NE ARG 39 37.383 1.012 10.071 1.00 34.96 1BPT 410
410 ATOM 304 CZ ARG 39 38.017 0.015 10.712 1.00 34.64 1BPT 411
411 ATOM 305 NH1 ARG 39 38.490 0.185 11.953 1.00 32.55 1BPT 412
412 ATOM 306 NH2 ARG 39 38.178 -1.162 10.082 1.00 31.33 1BPT 413
413 ATOM 307 N ALA 40 33.087 5.902 7.525 1.00 6.82 1BPT 414
414 ATOM 308 CA ALA 40 32.280 6.346 6.408 1.00 6.05 1BPT 415
415 ATOM 309 C ALA 40 33.174 6.463 5.167 1.00 10.08 1BPT 416
416 ATOM 310 O ALA 40 34.349 6.857 5.267 1.00 9.96 1BPT 417
417 ATOM 311 CB ALA 40 31.763 7.754 6.764 1.00 2.00 1BPT 418
418 ATOM 312 N LYS 41 32.572 6.106 4.046 1.00 8.14 1BPT 419
419 ATOM 313 CA LYS 41 33.210 6.218 2.716 1.00 6.07 1BPT 420
420 ATOM 314 C LYS 41 32.548 7.399 2.044 1.00 12.83 1BPT 421
421 ATOM 315 O LYS 41 31.646 8.090 2.693 1.00 10.68 1BPT 422
422 ATOM 316 CB LYS 41 33.223 4.867 2.018 1.00 10.37 1BPT 423
423 ATOM 317 CG LYS 41 34.398 4.021 2.455 1.00 16.66 1BPT 424
424 ATOM 318 CD LYS 41 34.882 2.814 1.760 1.00 24.01 1BPT 425
425 ATOM 319 CE LYS 41 35.299 2.810 0.338 1.00 30.41 1BPT 426
426 ATOM 320 NZ LYS 41 36.465 3.643 -0.102 1.00 35.07 1BPT 427
427 ATOM 321 N ARG 42 32.884 7.785 0.815 1.00 10.98 1BPT 428
428 ATOM 322 CA ARG 42 32.283 8.966 0.211 1.00 9.54 1BPT 429
429 ATOM 323 C ARG 42 30.805 8.864 -0.204 1.00 6.66 1BPT 430
430 ATOM 324 O ARG 42 30.082 9.903 -0.070 1.00 3.97 1BPT 431
431 ATOM 325 CB ARG 42 33.012 9.583 -0.935 1.00 15.86 1BPT 432
432 ATOM 326 CG ARG 42 34.425 10.106 -0.842 1.00 20.34 1BPT 433
433 ATOM 327 CD ARG 42 35.312 9.161 -1.625 1.00 22.25 1BPT 434
434 ATOM 328 NE ARG 42 36.086 9.790 -2.633 1.00 21.50 1BPT 435
435 ATOM 329 CZ ARG 42 36.767 9.117 -3.589 1.00 27.18 1BPT 436
436 ATOM 330 NH1 ARG 42 36.779 7.793 -3.734 1.00 24.88 1BPT 437
437 ATOM 331 NH2 ARG 42 37.511 9.871 -4.403 1.00 23.05 1BPT 438
438 ATOM 332 N ASN 43 30.347 7.774 -0.685 1.00 4.96 1BPT 439
439 ATOM 333 CA ASN 43 28.913 7.618 -1.084 1.00 5.93 1BPT 440
440 ATOM 334 C ASN 43 28.074 7.439 0.214 1.00 6.01 1BPT 441
441 ATOM 335 O ASN 43 27.554 6.351 0.508 1.00 5.41 1BPT 442
442 ATOM 336 CB ASN 43 28.824 6.464 -2.040 1.00 2.00 1BPT 443
443 ATOM 337 CG ASN 43 27.504 6.530 -2.797 1.00 3.64 1BPT 444
444 ATOM 338 OD1 ASN 43 26.760 7.532 -2.643 1.00 2.67 1BPT 445
445 ATOM 339 ND2 ASN 43 27.301 5.537 -3.633 1.00 4.58 1BPT 446
446 ATOM 340 N ASN 44 27.999 8.522 0.982 1.00 9.31 1BPT 447
447 ATOM 341 CA ASN 44 27.314 8.619 2.297 1.00 2.00 1BPT 448
448 ATOM 342 C ASN 44 26.927 10.073 2.517 1.00 4.30 1BPT 449
449 ATOM 343 O ASN 44 27.772 10.923 2.793 1.00 4.82 1BPT 450
450 ATOM 344 CB ASN 44 28.276 8.091 3.338 1.00 8.38 1BPT 451
451 ATOM 345 CG ASN 44 27.789 8.066 4.782 1.00 2.00 1BPT 452
452 ATOM 346 OD1 ASN 44 28.115 7.107 5.498 1.00 3.04 1BPT 453
453 ATOM 347 ND2 ASN 44 27.094 9.111 5.123 1.00 7.22 1BPT 454
454 ATOM 348 N PHE 45 25.640 10.394 2.440 1.00 6.11 1BPT 455
455 ATOM 349 CA PHE 45 25.077 11.713 2.604 1.00 6.35 1BPT 456
456 ATOM 350 C PHE 45 24.138 11.761 3.822 1.00 5.91 1BPT 457
457 ATOM 351 O PHE 45 23.569 10.743 4.220 1.00 7.40 1BPT 458
458 ATOM 352 CB PHE 45 24.338 12.182 1.306 1.00 6.75 1BPT 459
459 ATOM 353 CG PHE 45 25.243 12.109 0.104 1.00 8.57 1BPT 460
460 ATOM 354 CD1 PHE 45 26.165 13.134 -0.110 1.00 4.49 1BPT 461
461 ATOM 355 CD2 PHE 45 25.243 10.988 -0.731 1.00 7.57 1BPT 462
462 ATOM 356 CE1 PHE 45 27.037 13.057 -1.206 1.00 5.81 1BPT 463
463 ATOM 357 CE2 PHE 45 26.116 10.886 -1.828 1.00 6.32 1BPT 464
464 ATOM 358 CZ PHE 45 27.017 11.915 -2.031 1.00 5.88 1BPT 465
465 ATOM 359 N LYS 46 24.017 12.955 4.372 1.00 5.18 1BPT 466
466 ATOM 360 CA LYS 46 23.137 13.170 5.515 1.00 7.22 1BPT 467
467 ATOM 361 C LYS 46 21.747 13.494 5.037 1.00 8.50 1BPT 468
468 ATOM 362 O LYS 46 20.775 13.277 5.777 1.00 8.81 1BPT 469
469 ATOM 363 CB LYS 46 23.719 14.097 6.569 1.00 17.67 1BPT 470
470 ATOM 364 CG LYS 46 24.807 13.401 7.450 1.00 17.14 1BPT 471
471 ATOM 365 CD LYS 46 25.667 14.430 8.162 1.00 22.39 1BPT 472
472 ATOM 366 CE LYS 46 26.849 13.763 8.823 1.00 33.75 1BPT 473
473 ATOM 367 NZ LYS 46 27.771 13.182 7.778 1.00 39.51 1BPT 474
474 ATOM 368 N SER 47 21.567 13.946 3.793 1.00 6.62 1BPT 475
475 ATOM 369 CA SER 47 20.237 14.215 3.241 1.00 7.92 1BPT 476
476 ATOM 370 C SER 47 20.291 13.788 1.753 1.00 9.35 1BPT 477
477 ATOM 371 O SER 47 21.389 13.808 1.198 1.00 6.05 1BPT 478
478 ATOM 372 CB SER 47 19.755 15.634 3.248 1.00 8.12 1BPT 479
479 ATOM 373 OG SER 47 20.635 16.520 2.615 1.00 10.87 1BPT 480
480 ATOM 374 N ALA 48 19.110 13.576 1.248 1.00 13.39 1BPT 481
481 ATOM 375 CA ALA 48 18.819 13.216 -0.137 1.00 14.31 1BPT 482
482 ATOM 376 C ALA 48 19.222 14.327 -1.097 1.00 9.87 1BPT 483
483 ATOM 377 O ALA 48 19.693 14.049 -2.219 1.00 10.59 1BPT 484
484 ATOM 378 CB ALA 48 17.317 12.910 -0.257 1.00 14.70 1BPT 485
485 ATOM 379 N GLU 49 19.096 15.564 -0.717 1.00 12.65 1BPT 486
486 ATOM 380 CA GLU 49 19.425 16.790 -1.459 1.00 16.19 1BPT 487
487 ATOM 381 C GLU 49 20.919 16.933 -1.769 1.00 13.71 1BPT 488
488 ATOM 382 O GLU 49 21.385 17.262 -2.881 1.00 12.61 1BPT 489
489 ATOM 383 CB GLU 49 18.987 18.000 -0.638 1.00 24.93 1BPT 490
490 ATOM 384 CG GLU 49 19.603 19.360 -0.977 1.00 32.70 1BPT 491
491 ATOM 385 CD GLU 49 18.593 20.478 -0.869 1.00 33.74 1BPT 492
492 ATOM 386 OE1 GLU 49 17.501 20.301 -0.357 1.00 37.68 1BPT 493
493 ATOM 387 OE2 GLU 49 19.011 21.524 -1.382 1.00 40.58 1BPT 494
494 ATOM 388 N ASP 50 21.678 16.685 -0.752 1.00 8.77 1BPT 495
495 ATOM 389 CA ASP 50 23.154 16.618 -0.749 1.00 5.33 1BPT 496
496 ATOM 390 C ASP 50 23.557 15.495 -1.741 1.00 7.91 1BPT 497
497 ATOM 391 O ASP 50 24.418 15.687 -2.574 1.00 10.59 1BPT 498
498 ATOM 392 CB ASP 50 23.469 16.208 0.652 1.00 7.72 1BPT 499
499 ATOM 393 CG ASP 50 24.677 16.768 1.310 1.00 22.77 1BPT 500
500 ATOM 394 OD1 ASP 50 25.784 16.205 1.218 1.00 29.45 1BPT 501
501 ATOM 395 OD2 ASP 50 24.437 17.805 1.976 1.00 27.42 1BPT 502
502 ATOM 396 N CYS 51 22.889 14.372 -1.606 1.00 7.15 1BPT 503
503 ATOM 397 CA CYS 51 23.118 13.191 -2.471 1.00 9.78 1BPT 504
504 ATOM 398 C CYS 51 22.817 13.463 -3.927 1.00 10.99 1BPT 505
505 ATOM 399 O CYS 51 23.624 13.202 -4.878 1.00 10.34 1BPT 506
506 ATOM 400 CB CYS 51 22.338 12.044 -1.832 1.00 7.72 1BPT 507
507 ATOM 401 SG CYS 51 22.556 10.517 -2.797 1.00 9.28 1BPT 508
508 ATOM 402 N MET 52 21.658 14.043 -4.168 1.00 11.69 1BPT 509
509 ATOM 403 CA MET 52 21.202 14.431 -5.526 1.00 18.65 1BPT 510
510 ATOM 404 C MET 52 22.077 15.525 -6.147 1.00 19.65 1BPT 511
511 ATOM 405 O MET 52 22.331 15.528 -7.377 1.00 21.47 1BPT 512
512 ATOM 406 CB MET 52 19.733 14.888 -5.520 1.00 18.64 1BPT 513
513 ATOM 407 CG MET 52 18.820 13.802 -5.029 1.00 25.08 1BPT 514
514 ATOM 408 SD MET 52 18.593 12.518 -6.298 1.00 36.21 1BPT 515
515 ATOM 409 CE MET 52 17.140 13.185 -7.164 1.00 31.81 1BPT 516
516 ATOM 410 N ARG 53 22.488 16.491 -5.340 1.00 15.68 1BPT 517
517 ATOM 411 CA ARG 53 23.357 17.550 -5.895 1.00 14.21 1BPT 518
518 ATOM 412 C ARG 53 24.665 16.936 -6.309 1.00 16.12 1BPT 519
519 ATOM 413 O ARG 53 25.128 17.198 -7.444 1.00 20.73 1BPT 520
520 ATOM 414 CB ARG 53 23.476 18.743 -4.963 1.00 18.66 1BPT 521
521 ATOM 415 CG ARG 53 24.712 19.585 -4.904 1.00 20.71 1BPT 522
522 ATOM 416 CD ARG 53 24.526 20.881 -4.194 1.00 20.48 1BPT 523
523 ATOM 417 NE ARG 53 24.137 20.759 -2.782 1.00 23.67 1BPT 524
524 ATOM 418 CZ ARG 53 22.949 21.116 -2.283 1.00 19.89 1BPT 525
525 ATOM 419 NH1 ARG 53 21.956 21.580 -3.045 1.00 21.51 1BPT 526
526 ATOM 420 NH2 ARG 53 22.797 21.076 -0.984 1.00 19.67 1BPT 527
527 ATOM 421 N THR 54 25.282 16.106 -5.486 1.00 15.94 1BPT 528
528 ATOM 422 CA THR 54 26.565 15.457 -5.745 1.00 15.33 1BPT 529
529 ATOM 423 C THR 54 26.567 14.390 -6.831 1.00 14.34 1BPT 530
530 ATOM 424 O THR 54 27.430 14.320 -7.727 1.00 15.03 1BPT 531
531 ATOM 425 CB THR 54 27.103 14.813 -4.378 1.00 15.64 1BPT 532
532 ATOM 426 OG1 THR 54 26.939 15.842 -3.350 1.00 14.11 1BPT 533
533 ATOM 427 CG2 THR 54 28.533 14.325 -4.493 1.00 13.03 1BPT 534
534 ATOM 428 N CYS 55 25.605 13.478 -6.742 1.00 14.03 1BPT 535
535 ATOM 429 CA CYS 55 25.487 12.381 -7.678 1.00 18.90 1BPT 536
536 ATOM 430 C CYS 55 24.327 12.243 -8.624 1.00 14.94 1BPT 537
537 ATOM 431 O CYS 55 24.416 11.321 -9.464 1.00 17.17 1BPT 538
538 ATOM 432 CB CYS 55 25.558 11.073 -6.799 1.00 13.60 1BPT 539
539 ATOM 433 SG CYS 55 27.108 10.842 -5.962 1.00 11.32 1BPT 540
540 ATOM 434 N GLY 56 23.250 12.959 -8.573 1.00 21.33 1BPT 541
541 ATOM 435 CA GLY 56 22.055 12.828 -9.404 1.00 21.71 1BPT 542
542 ATOM 436 C GLY 56 22.203 13.318 -10.815 1.00 29.25 1BPT 543
543 ATOM 437 O GLY 56 22.062 14.551 -11.007 1.00 36.32 1BPT 544
544 TER 438 GLY 56 1BPT 545
545 HETATM 439 P PO4 70 30.706 10.577 10.314 1.00 40.72 1BPT 546
546 HETATM 440 O1 PO4 70 31.880 11.494 10.318 1.00 40.10 1BPT 547
547 HETATM 441 O2 PO4 70 29.700 11.094 11.269 1.00 36.93 1BPT 548
548 HETATM 442 O3 PO4 70 30.132 10.507 8.949 1.00 36.50 1BPT 549
549 HETATM 443 O4 PO4 70 31.190 9.240 10.783 1.00 33.43 1BPT 550
550 HETATM 444 O HOH 80 20.819 13.100 8.431 1.00 24.07 1BPT 551
551 HETATM 445 O HOH 102 30.510 0.396 17.550 1.00 19.35 1BPT 552
552 HETATM 446 O HOH 110 35.009 6.459 -0.855 1.00 12.67 1BPT 553
553 HETATM 447 O HOH 111 30.611 3.654 -0.155 1.00 13.18 1BPT 554
554 HETATM 448 O HOH 112 28.828 4.406 1.730 1.00 8.47 1BPT 555
555 HETATM 449 O HOH 113 29.841 4.909 4.406 1.00 7.19 1BPT 556
556 HETATM 450 O HOH 117 21.848 -0.746 5.060 1.00 16.62 1BPT 557
557 HETATM 451 O HOH 119 21.823 5.979 -12.630 1.00 24.84 1BPT 558
558 HETATM 452 O HOH 122 30.511 1.654 10.647 1.00 7.89 1BPT 559
559 HETATM 453 O HOH 138 25.621 15.094 3.493 1.00 23.48 1BPT 560
560 HETATM 454 O HOH 143 26.160 3.139 -5.420 1.00 34.25 1BPT 561
561 HETATM 455 O HOH 145 33.316 1.413 18.097 1.00 25.90 1BPT 562
562 HETATM 456 O HOH 159 28.583 -2.632 3.791 1.00 39.81 1BPT 563
563 HETATM 457 O HOH 160 33.706 3.567 -8.762 1.00 24.53 1BPT 564
564 HETATM 458 O HOH 200 14.641 3.645 -11.171 1.00 43.15 1BPT 565
565 HETATM 459 O HOH 203 36.110 7.939 7.187 1.00 26.10 1BPT 566
566 HETATM 460 O HOH 204 37.573 6.383 4.119 1.00 34.45 1BPT 567
567 HETATM 461 O HOH 205 17.114 1.480 5.071 1.00 25.78 1BPT 568
568 HETATM 462 O HOH 210 29.293 -0.141 -8.753 1.00 31.97 1BPT 569
569 HETATM 463 O HOH 220 38.003 -0.043 7.446 1.00 39.37 1BPT 570
570 HETATM 464 O HOH 310 27.894 18.497 -3.763 1.00 43.65 1BPT 571
571 HETATM 465 O HOH 400 21.958 7.437 -8.430 1.00 19.20 1BPT 572
572 HETATM 466 O HOH 401 31.962 7.677 -12.750 1.00 38.68 1BPT 573
573 HETATM 467 O HOH 402 17.664 6.716 -13.231 1.00 33.38 1BPT 574
574 HETATM 468 O HOH 403 13.919 2.897 -4.054 1.00 16.38 1BPT 575
575 HETATM 469 O HOH 404 21.409 17.309 -9.673 1.00 36.53 1BPT 576
576 HETATM 470 O HOH 405 13.834 0.430 16.064 1.00 32.73 1BPT 577
577 HETATM 471 O HOH 406 28.339 15.647 -11.514 1.00 41.64 1BPT 578
578 HETATM 472 O HOH 407 15.124 9.979 -1.705 1.00 32.62 1BPT 579
579 HETATM 473 O HOH 408 15.714 0.107 18.383 1.00 27.81 1BPT 580
580 HETATM 474 O HOH 409 28.278 14.368 -14.656 1.00 28.15 1BPT 581
581 HETATM 475 O HOH 410 15.105 5.054 0.515 1.00 23.38 1BPT 582
582 HETATM 476 O HOH 411 23.761 -2.671 7.342 1.00 35.33 1BPT 583
583 HETATM 477 O HOH 412 32.010 -0.303 -0.690 1.00 43.06 1BPT 584
584 HETATM 478 O HOH 413 25.967 19.801 -1.055 1.00 37.89 1BPT 585
585 HETATM 479 O HOH 414 35.741 2.717 -2.480 1.00 39.48 1BPT 586
586 HETATM 480 O HOH 415 22.383 20.755 1.804 1.00 31.50 1BPT 587
587 HETATM 481 O HOH 416 26.289 11.963 -15.860 1.00 40.37 1BPT 588
588 HETATM 482 O HOH 417 28.681 15.680 -0.316 1.00 48.97 1BPT 589
589 HETATM 483 O HOH 418 28.804 19.336 -6.207 1.00 36.73 1BPT 590
590 CONECT 43 42 433 1BPT 591
591 CONECT 110 109 295 1BPT 592
592 CONECT 235 234 401 1BPT 593
593 CONECT 295 110 294 1BPT 594
594 CONECT 401 235 400 1BPT 595
595 CONECT 433 43 432 1BPT 596
596 CONECT 439 440 441 442 443 1BPT 597
597 CONECT 440 439 1BPT 598
598 CONECT 441 439 1BPT 599
599 CONECT 442 439 1BPT 600
600 CONECT 443 439 1BPT 601
601 MASTER 71 0 1 2 3 0 0 6 482 1 11 5 1BPT 602
602 END 1BPT 603