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83PROD_density_static.pdb
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8167 lines (8167 loc) · 582 KB
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HEADER
@------------------------------------------------------------------------
@ QM/MM Energy
@------------------------------------------------------------------------
@ quantum energy -2475.148640786 (-.649850E+07 kjoule/mol)
@ quantum energy adjusted -2475.148640786 (-.649850E+07 kjoule/mol)
@ quantum energy internal -2474.601714396 (-.649707E+07 kjoule/mol)
@ Bq-nuclear energy -22.491877562 (-.590524E+05 kjoule/mol)
@ Bq-electron energy 21.944951172 (0.576165E+05 kjoule/mol)
@ classical energy -39.182691233 (-.102874E+06 kjoule/mol)
@ total qmmm energy -2514.331332020 (-.660138E+07 kjoule/mol)
@------------------------------------------------------------------------
REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996
CRYST1 57.148 40.610 49.562 90.00 90.00 90.00
ATOM 1 C1 JRY 401 -10.369 1.557 18.061 0.00 C
ATOM 2 F1 JRY 401 -10.064 2.625 18.856 0.00 F
ATOM 3 C2 JRY 401 -10.032 0.243 18.524 0.00 C
ATOM 4 O2 JRY 401 -9.559 -0.067 19.613 0.00 O
ATOM 5 N3 JRY 401 -10.314 -0.689 17.533 0.00 N
ATOM 6 H3 JRY 401 -10.167 -1.668 17.789 0.00 H
ATOM 7 C4 JRY 401 -10.650 -0.433 16.204 0.00 C
ATOM 8 O4 JRY 401 -10.615 -1.375 15.387 0.00 O
ATOM 9 N5 JRY 401 -11.011 0.829 15.865 0.00 N
ATOM 10 C6 JRY 401 -10.900 1.764 16.826 0.00 C
ATOM 11 H6 JRY 401 -11.213 2.774 16.560 0.00 H
ATOM 12 C7 JRY 401 -10.616 -0.082 12.592 0.00 C
ATOM 13 O7 JRY 401 -10.732 -1.296 12.379 0.00 O
ATOM 14 N7 JRY 401 -11.615 0.786 12.590 0.00 N
ATOM 15 H7 JRY 401 -12.525 0.432 12.287 0.00 H
ATOM 16 CK JRY 401 -11.492 2.210 12.851 0.00 C
ATOM 17 2HK JRY 401 -10.671 2.336 13.559 0.00 H
ATOM 18 3HK JRY 401 -11.217 2.725 11.924 0.00 H
ATOM 19 CL JRY 401 -12.740 2.814 13.472 0.00 C
ATOM 20 2HL JRY 401 -13.534 2.918 12.724 0.00 H
ATOM 21 3HL JRY 401 -13.105 2.137 14.252 0.00 H
ATOM 22 CM JRY 401 -12.414 4.175 14.084 0.00 C
ATOM 23 2HM JRY 401 -13.337 4.633 14.456 0.00 H
ATOM 24 3HM JRY 401 -11.780 4.011 14.967 0.00 H
ATOM 25 CN JRY 401 -11.706 5.143 13.140 0.00 C
ATOM 26 2HN JRY 401 -10.803 4.675 12.725 0.00 H
ATOM 27 3HN JRY 401 -12.351 5.356 12.281 0.00 H
ATOM 28 CP JRY 401 -11.280 6.439 13.829 0.00 C
ATOM 29 2HP JRY 401 -11.138 7.225 13.082 0.00 H
ATOM 30 3HP JRY 401 -12.080 6.787 14.497 0.00 H
ATOM 31 CQ JRY 401 -9.983 6.260 14.603 0.00 C
ATOM 32 2HQ JRY 401 -9.706 7.154 15.163 0.00 H
ATOM 33 3HQ JRY 401 -9.169 6.035 13.905 0.00 H
ATOM 34 4HQ JRY 401 -10.053 5.425 15.312 0.00 H
ATOM 35 N SER 1 6.147 -16.859 -17.087 0.18 N
ATOM 36 2H SER 1 6.076 -17.522 -16.324 0.19 H
ATOM 37 3H SER 1 6.457 -15.966 -16.722 0.19 H
ATOM 38 4H SER 1 6.828 -17.199 -17.752 0.19 H
ATOM 39 CA SER 1 4.836 -16.704 -17.745 0.06 C
ATOM 40 HA SER 1 4.904 -15.893 -18.469 0.08 H
ATOM 41 CB SER 1 4.452 -17.985 -18.488 0.26 C
ATOM 42 2HB SER 1 3.447 -17.891 -18.901 0.03 H
ATOM 43 3HB SER 1 5.150 -18.153 -19.308 0.03 H
ATOM 44 OG SER 1 4.504 -19.083 -17.603 -0.67 O
ATOM 45 HG SER 1 4.291 -19.887 -18.089 0.42 H
ATOM 46 C SER 1 3.766 -16.332 -16.728 0.62 C
ATOM 47 O SER 1 4.000 -16.445 -15.524 -0.57 O
ATOM 48 N GLY 2 2.593 -15.899 -17.204 -0.42 N
ATOM 49 H GLY 2 2.483 -15.804 -18.209 0.27 H
ATOM 50 CA GLY 2 1.469 -15.441 -16.381 -0.03 C
ATOM 51 2HA GLY 2 1.265 -16.168 -15.595 0.07 H
ATOM 52 3HA GLY 2 0.583 -15.367 -17.011 0.07 H
ATOM 53 C GLY 2 1.702 -14.077 -15.725 0.60 C
ATOM 54 O GLY 2 2.840 -13.664 -15.488 -0.57 O
ATOM 55 N PHE 3 0.623 -13.362 -15.401 -0.42 N
ATOM 56 H PHE 3 -0.298 -13.755 -15.560 0.27 H
ATOM 57 CA PHE 3 0.720 -12.083 -14.694 -0.00 C
ATOM 58 HA PHE 3 1.486 -12.177 -13.927 0.10 H
ATOM 59 CB PHE 3 1.158 -10.981 -15.670 -0.03 C
ATOM 60 2HB PHE 3 1.820 -11.393 -16.431 0.03 H
ATOM 61 3HB PHE 3 0.287 -10.588 -16.187 0.03 H
ATOM 62 CG PHE 3 1.891 -9.859 -14.974 0.01 C
ATOM 63 CD1 PHE 3 1.186 -8.769 -14.430 -0.13 C
ATOM 64 HD1 PHE 3 0.110 -8.716 -14.509 0.13 H
ATOM 65 CE1 PHE 3 1.883 -7.743 -13.773 -0.17 C
ATOM 66 HE1 PHE 3 1.343 -6.895 -13.383 0.14 H
ATOM 67 CZ PHE 3 3.277 -7.818 -13.624 -0.11 C
ATOM 68 HZ PHE 3 3.803 -7.041 -13.089 0.13 H
ATOM 69 CE2 PHE 3 3.981 -8.901 -14.178 -0.17 C
ATOM 70 HE2 PHE 3 5.055 -8.948 -14.101 0.14 H
ATOM 71 CD2 PHE 3 3.289 -9.924 -14.845 -0.13 C
ATOM 72 HD2 PHE 3 3.833 -10.763 -15.256 0.13 H
ATOM 73 C PHE 3 -0.587 -11.684 -14.003 0.60 C
ATOM 74 O PHE 3 -1.645 -11.670 -14.630 -0.57 O
ATOM 75 N ARG 4 -0.494 -11.324 -12.721 -0.35 N
ATOM 76 H ARG 4 0.431 -11.378 -12.305 0.27 H
ATOM 77 CA ARG 4 -1.567 -10.764 -11.876 -0.26 C
ATOM 78 HA ARG 4 -2.119 -10.016 -12.450 0.16 H
ATOM 79 CB ARG 4 -2.548 -11.878 -11.452 -0.00 C
ATOM 80 2HB ARG 4 -3.343 -11.431 -10.859 0.03 H
ATOM 81 3HB ARG 4 -3.008 -12.299 -12.347 0.03 H
ATOM 82 CG ARG 4 -1.907 -13.029 -10.653 0.04 C
ATOM 83 2HG ARG 4 -1.207 -13.556 -11.298 0.03 H
ATOM 84 3HG ARG 4 -1.351 -12.640 -9.802 0.03 H
ATOM 85 CD ARG 4 -2.960 -14.031 -10.157 0.05 C
ATOM 86 2HD ARG 4 -3.634 -14.261 -10.983 0.07 H
ATOM 87 3HD ARG 4 -2.451 -14.950 -9.859 0.07 H
ATOM 88 NE ARG 4 -3.723 -13.511 -9.007 -0.53 N
ATOM 89 HE ARG 4 -3.380 -12.665 -8.572 0.35 H
ATOM 90 CZ ARG 4 -4.844 -13.997 -8.499 0.81 C
ATOM 91 NH1 ARG 4 -5.484 -15.023 -8.976 -0.86 N
ATOM 92 2HH1 ARG 4 -6.351 -15.290 -8.537 0.45 H
ATOM 93 3HH1 ARG 4 -5.122 -15.528 -9.781 0.45 H
ATOM 94 NH2 ARG 4 -5.378 -13.442 -7.460 -0.86 N
ATOM 95 2HH2 ARG 4 -6.266 -13.793 -7.113 0.45 H
ATOM 96 3HH2 ARG 4 -4.894 -12.690 -6.993 0.45 H
ATOM 97 C ARG 4 -0.971 -10.066 -10.647 0.73 C
ATOM 98 O ARG 4 0.217 -10.235 -10.366 -0.59 O
ATOM 99 N LYS 5 -1.780 -9.343 -9.864 -0.35 N
ATOM 100 H LYS 5 -2.746 -9.222 -10.149 0.27 H
ATOM 101 CA LYS 5 -1.376 -8.905 -8.514 -0.24 C
ATOM 102 HA LYS 5 -0.482 -8.284 -8.588 0.14 H
ATOM 103 CB LYS 5 -2.480 -8.073 -7.847 -0.01 C
ATOM 104 2HB LYS 5 -3.439 -8.580 -7.939 0.04 H
ATOM 105 3HB LYS 5 -2.251 -7.966 -6.787 0.04 H
ATOM 106 CG LYS 5 -2.552 -6.675 -8.479 0.02 C
ATOM 107 2HG LYS 5 -1.556 -6.229 -8.465 0.01 H
ATOM 108 3HG LYS 5 -2.880 -6.756 -9.515 0.01 H
ATOM 109 CD LYS 5 -3.496 -5.734 -7.730 -0.05 C
ATOM 110 2HD LYS 5 -3.198 -5.679 -6.683 0.06 H
ATOM 111 3HD LYS 5 -3.388 -4.744 -8.169 0.06 H
ATOM 112 CE LYS 5 -4.963 -6.162 -7.832 -0.01 C
ATOM 113 2HE LYS 5 -5.252 -6.186 -8.885 0.11 H
ATOM 114 3HE LYS 5 -5.083 -7.166 -7.416 0.11 H
ATOM 115 NZ LYS 5 -5.827 -5.217 -7.098 -0.39 N
ATOM 116 2HZ LYS 5 -5.655 -5.284 -6.098 0.34 H
ATOM 117 3HZ LYS 5 -5.657 -4.254 -7.386 0.34 H
ATOM 118 4HZ LYS 5 -6.812 -5.435 -7.230 0.34 H
ATOM 119 C LYS 5 -0.994 -10.127 -7.682 0.73 C
ATOM 120 O LYS 5 -1.725 -11.121 -7.674 -0.59 O
ATOM 121 N MET 6 0.167 -10.081 -7.034 -0.42 N
ATOM 122 H MET 6 0.712 -9.224 -7.096 0.27 H
ATOM 123 CA MET 6 0.816 -11.259 -6.452 -0.02 C
ATOM 124 HA MET 6 0.061 -11.988 -6.166 0.09 H
ATOM 125 CB MET 6 1.721 -11.896 -7.521 0.03 C
ATOM 126 2HB MET 6 1.129 -12.107 -8.412 0.02 H
ATOM 127 3HB MET 6 2.493 -11.181 -7.806 0.02 H
ATOM 128 CG MET 6 2.396 -13.196 -7.066 0.00 C
ATOM 129 2HG MET 6 2.997 -13.569 -7.895 0.04 H
ATOM 130 3HG MET 6 3.076 -12.960 -6.248 0.04 H
ATOM 131 SD MET 6 1.316 -14.549 -6.517 -0.27 S
ATOM 132 CE MET 6 0.174 -14.689 -7.918 -0.05 C
ATOM 133 2HE MET 6 0.736 -14.783 -8.847 0.07 H
ATOM 134 3HE MET 6 -0.454 -15.571 -7.789 0.07 H
ATOM 135 4HE MET 6 -0.461 -13.805 -7.963 0.07 H
ATOM 136 C MET 6 1.596 -10.857 -5.199 0.60 C
ATOM 137 O MET 6 2.651 -10.226 -5.292 -0.57 O
ATOM 138 N ALA 7 1.059 -11.164 -4.019 -0.42 N
ATOM 139 H ALA 7 0.220 -11.729 -4.000 0.27 H
ATOM 140 CA ALA 7 1.657 -10.764 -2.746 0.03 C
ATOM 141 HA ALA 7 1.797 -9.687 -2.772 0.08 H
ATOM 142 CB ALA 7 0.674 -11.088 -1.615 -0.18 C
ATOM 143 2HB ALA 7 1.090 -10.760 -0.661 0.06 H
ATOM 144 3HB ALA 7 -0.270 -10.567 -1.781 0.06 H
ATOM 145 4HB ALA 7 0.499 -12.163 -1.570 0.06 H
ATOM 146 C ALA 7 3.036 -11.406 -2.495 0.60 C
ATOM 147 O ALA 7 3.313 -12.512 -2.967 -0.57 O
ATOM 148 N PHE 8 3.876 -10.746 -1.696 -0.42 N
ATOM 149 H PHE 8 3.578 -9.845 -1.341 0.27 H
ATOM 150 CA PHE 8 5.033 -11.373 -1.051 -0.00 C
ATOM 151 HA PHE 8 5.663 -11.816 -1.822 0.10 H
ATOM 152 CB PHE 8 5.841 -10.303 -0.297 -0.03 C
ATOM 153 2HB PHE 8 5.175 -9.783 0.393 0.03 H
ATOM 154 3HB PHE 8 6.604 -10.795 0.306 0.03 H
ATOM 155 CG PHE 8 6.538 -9.281 -1.176 0.01 C
ATOM 156 CD1 PHE 8 7.758 -9.596 -1.803 -0.13 C
ATOM 157 HD1 PHE 8 8.196 -10.578 -1.679 0.13 H
ATOM 158 CE1 PHE 8 8.411 -8.638 -2.600 -0.17 C
ATOM 159 HE1 PHE 8 9.341 -8.891 -3.092 0.14 H
ATOM 160 CZ PHE 8 7.846 -7.365 -2.783 -0.11 C
ATOM 161 HZ PHE 8 8.341 -6.634 -3.410 0.13 H
ATOM 162 CE2 PHE 8 6.617 -7.058 -2.176 -0.17 C
ATOM 163 HE2 PHE 8 6.153 -6.098 -2.338 0.14 H
ATOM 164 CD2 PHE 8 5.975 -8.006 -1.363 -0.13 C
ATOM 165 HD2 PHE 8 5.046 -7.745 -0.881 0.13 H
ATOM 166 C PHE 8 4.572 -12.478 -0.072 0.60 C
ATOM 167 O PHE 8 3.427 -12.443 0.400 -0.57 O
ATOM 168 N PRO 9 5.431 -13.453 0.279 -0.25 N
ATOM 169 CA PRO 9 5.156 -14.406 1.355 -0.03 C
ATOM 170 HA PRO 9 4.366 -15.074 1.022 0.06 H
ATOM 171 CB PRO 9 6.449 -15.211 1.532 -0.01 C
ATOM 172 2HB PRO 9 6.245 -16.246 1.806 0.03 H
ATOM 173 3HB PRO 9 7.087 -14.738 2.279 0.03 H
ATOM 174 CG PRO 9 7.128 -15.110 0.167 0.02 C
ATOM 175 2HG PRO 9 6.707 -15.856 -0.509 0.02 H
ATOM 176 3HG PRO 9 8.211 -15.223 0.241 0.02 H
ATOM 177 CD PRO 9 6.737 -13.713 -0.307 0.02 C
ATOM 178 2HD PRO 9 7.460 -12.984 0.062 0.04 H
ATOM 179 3HD PRO 9 6.698 -13.691 -1.396 0.04 H
ATOM 180 C PRO 9 4.742 -13.700 2.656 0.59 C
ATOM 181 O PRO 9 5.429 -12.781 3.103 -0.57 O
ATOM 182 N SER 10 3.645 -14.122 3.290 -0.42 N
ATOM 183 H SER 10 3.079 -14.848 2.860 0.27 H
ATOM 184 CA SER 10 3.132 -13.503 4.525 -0.02 C
ATOM 185 HA SER 10 3.447 -12.459 4.548 0.08 H
ATOM 186 CB SER 10 1.599 -13.499 4.512 0.21 C
ATOM 187 2HB SER 10 1.223 -13.114 5.460 0.04 H
ATOM 188 3HB SER 10 1.268 -12.832 3.718 0.04 H
ATOM 189 OG SER 10 1.057 -14.783 4.268 -0.65 O
ATOM 190 HG SER 10 1.160 -15.325 5.095 0.43 H
ATOM 191 C SER 10 3.652 -14.135 5.824 0.60 C
ATOM 192 O SER 10 3.504 -13.527 6.883 -0.57 O
ATOM 193 N GLY 11 4.277 -15.317 5.766 -0.42 N
ATOM 194 H GLY 11 4.320 -15.762 4.857 0.27 H
ATOM 195 CA GLY 11 4.658 -16.138 6.926 -0.03 C
ATOM 196 2HA GLY 11 5.288 -16.952 6.571 0.07 H
ATOM 197 3HA GLY 11 3.753 -16.576 7.346 0.07 H
ATOM 198 C GLY 11 5.411 -15.439 8.070 0.60 C
ATOM 199 O GLY 11 5.207 -15.791 9.234 -0.57 O
ATOM 200 N LYS 12 6.266 -14.445 7.794 -0.35 N
ATOM 201 H LYS 12 6.409 -14.189 6.818 0.27 H
ATOM 202 CA LYS 12 6.901 -13.621 8.840 -0.24 C
ATOM 203 HA LYS 12 7.250 -14.262 9.650 0.14 H
ATOM 204 CB LYS 12 8.088 -12.826 8.276 -0.01 C
ATOM 205 2HB LYS 12 7.744 -12.174 7.472 0.04 H
ATOM 206 3HB LYS 12 8.472 -12.188 9.072 0.04 H
ATOM 207 CG LYS 12 9.248 -13.678 7.750 0.02 C
ATOM 208 2HG LYS 12 8.935 -14.200 6.847 0.01 H
ATOM 209 3HG LYS 12 10.054 -12.996 7.487 0.01 H
ATOM 210 CD LYS 12 9.763 -14.707 8.769 -0.05 C
ATOM 211 2HD LYS 12 9.828 -14.241 9.752 0.06 H
ATOM 212 3HD LYS 12 9.051 -15.530 8.828 0.06 H
ATOM 213 CE LYS 12 11.146 -15.267 8.421 -0.01 C
ATOM 214 2HE LYS 12 11.897 -14.487 8.577 0.11 H
ATOM 215 3HE LYS 12 11.367 -16.090 9.106 0.11 H
ATOM 216 NZ LYS 12 11.227 -15.744 7.023 -0.39 N
ATOM 217 2HZ LYS 12 10.487 -16.403 6.804 0.34 H
ATOM 218 3HZ LYS 12 11.168 -14.950 6.386 0.34 H
ATOM 219 4HZ LYS 12 12.125 -16.183 6.852 0.34 H
ATOM 220 C LYS 12 5.917 -12.645 9.471 0.73 C
ATOM 221 O LYS 12 5.853 -12.557 10.693 -0.59 O
ATOM 222 N VAL 13 5.131 -11.937 8.661 -0.42 N
ATOM 223 H VAL 13 5.175 -12.142 7.671 0.27 H
ATOM 224 CA VAL 13 4.128 -10.964 9.129 -0.09 C
ATOM 225 HA VAL 13 4.629 -10.252 9.784 0.10 H
ATOM 226 CB VAL 13 3.514 -10.172 7.957 0.30 C
ATOM 227 HB VAL 13 2.847 -10.820 7.390 -0.03 H
ATOM 228 CG1 VAL 13 2.720 -8.966 8.475 -0.32 C
ATOM 229 2HG1 VAL 13 1.948 -9.284 9.169 0.08 H
ATOM 230 3HG1 VAL 13 3.374 -8.276 9.004 0.08 H
ATOM 231 4HG1 VAL 13 2.246 -8.446 7.642 0.08 H
ATOM 232 CG2 VAL 13 4.589 -9.646 6.995 -0.32 C
ATOM 233 2HG2 VAL 13 4.133 -8.979 6.266 0.08 H
ATOM 234 3HG2 VAL 13 5.358 -9.104 7.544 0.08 H
ATOM 235 4HG2 VAL 13 5.047 -10.469 6.447 0.08 H
ATOM 236 C VAL 13 3.041 -11.661 9.956 0.60 C
ATOM 237 O VAL 13 2.693 -11.182 11.031 -0.57 O
ATOM 238 N GLU 14 2.613 -12.859 9.548 -0.52 N
ATOM 239 H GLU 14 2.930 -13.185 8.638 0.29 H
ATOM 240 CA GLU 14 1.747 -13.762 10.327 0.04 C
ATOM 241 HA GLU 14 0.800 -13.261 10.525 0.11 H
ATOM 242 CB GLU 14 1.470 -15.038 9.519 0.06 C
ATOM 243 2HB GLU 14 2.421 -15.478 9.218 -0.02 H
ATOM 244 3HB GLU 14 0.951 -15.756 10.155 -0.02 H
ATOM 245 CG GLU 14 0.610 -14.796 8.276 0.01 C
ATOM 246 2HG GLU 14 -0.392 -14.497 8.576 -0.04 H
ATOM 247 3HG GLU 14 1.034 -13.991 7.676 -0.04 H
ATOM 248 CD GLU 14 0.527 -16.069 7.442 0.81 C
ATOM 249 OE1 GLU 14 -0.225 -16.999 7.811 -0.82 O
ATOM 250 OE2 GLU 14 1.227 -16.154 6.408 -0.82 O
ATOM 251 C GLU 14 2.333 -14.162 11.694 0.54 C
ATOM 252 O GLU 14 1.593 -14.554 12.595 -0.58 O
ATOM 253 N GLY 15 3.650 -14.040 11.877 -0.42 N
ATOM 254 H GLY 15 4.211 -13.742 11.089 0.27 H
ATOM 255 CA GLY 15 4.329 -14.201 13.162 -0.03 C
ATOM 256 2HA GLY 15 5.309 -14.633 12.969 0.07 H
ATOM 257 3HA GLY 15 3.762 -14.876 13.799 0.07 H
ATOM 258 C GLY 15 4.537 -12.887 13.921 0.60 C
ATOM 259 O GLY 15 4.690 -12.900 15.143 -0.57 O
ATOM 260 N CYS 16 4.502 -11.747 13.235 -0.42 N
ATOM 261 H CYS 16 4.351 -11.799 12.235 0.27 H
ATOM 262 CA CYS 16 4.596 -10.420 13.841 0.02 C
ATOM 263 HA CYS 16 5.306 -10.442 14.667 0.11 H
ATOM 264 CB CYS 16 5.134 -9.431 12.800 -0.12 C
ATOM 265 2HB CYS 16 4.425 -9.343 11.975 0.11 H
ATOM 266 3HB CYS 16 5.254 -8.455 13.274 0.11 H
ATOM 267 SG CYS 16 6.751 -9.972 12.175 -0.31 S
ATOM 268 HG CYS 16 6.384 -11.209 11.809 0.19 H
ATOM 269 C CYS 16 3.253 -9.935 14.417 0.60 C
ATOM 270 O CYS 16 3.256 -9.202 15.399 -0.57 O
ATOM 271 N MET 17 2.105 -10.331 13.854 -0.42 N
ATOM 272 H MET 17 2.144 -10.871 12.997 0.27 H
ATOM 273 CA MET 17 0.801 -9.845 14.336 -0.02 C
ATOM 274 HA MET 17 0.822 -8.757 14.288 0.09 H
ATOM 275 CB MET 17 -0.358 -10.339 13.455 0.03 C
ATOM 276 2HB MET 17 -0.422 -11.425 13.517 0.02 H
ATOM 277 3HB MET 17 -1.281 -9.931 13.866 0.02 H
ATOM 278 CG MET 17 -0.277 -9.927 11.980 0.00 C
ATOM 279 2HG MET 17 0.376 -10.629 11.470 0.04 H
ATOM 280 3HG MET 17 -1.268 -10.036 11.538 0.04 H
ATOM 281 SD MET 17 0.332 -8.250 11.639 -0.27 S
ATOM 282 CE MET 17 -0.944 -7.229 12.434 -0.05 C
ATOM 283 2HE MET 17 -1.904 -7.389 11.946 0.07 H
ATOM 284 3HE MET 17 -1.031 -7.485 13.488 0.07 H
ATOM 285 4HE MET 17 -0.673 -6.176 12.344 0.07 H
ATOM 286 C MET 17 0.502 -10.224 15.795 0.60 C
ATOM 287 O MET 17 0.821 -11.333 16.241 -0.57 O
ATOM 288 N VAL 18 -0.197 -9.334 16.503 -0.42 N
ATOM 289 H VAL 18 -0.357 -8.428 16.068 0.27 H
ATOM 290 CA VAL 18 -0.766 -9.512 17.853 -0.09 C
ATOM 291 HA VAL 18 -1.019 -10.562 17.996 0.10 H
ATOM 292 CB VAL 18 0.235 -9.103 18.959 0.30 C
ATOM 293 HB VAL 18 -0.257 -9.200 19.925 -0.03 H
ATOM 294 CG1 VAL 18 1.443 -10.038 18.984 -0.32 C
ATOM 295 2HG1 VAL 18 2.074 -9.861 18.114 0.08 H
ATOM 296 3HG1 VAL 18 2.023 -9.871 19.892 0.08 H
ATOM 297 4HG1 VAL 18 1.102 -11.069 18.957 0.08 H
ATOM 298 CG2 VAL 18 0.736 -7.661 18.846 -0.32 C
ATOM 299 2HG2 VAL 18 1.304 -7.528 17.925 0.08 H
ATOM 300 3HG2 VAL 18 -0.103 -6.966 18.860 0.08 H
ATOM 301 4HG2 VAL 18 1.382 -7.446 19.695 0.08 H
ATOM 302 C VAL 18 -2.066 -8.710 18.014 0.60 C
ATOM 303 O VAL 18 -2.412 -7.894 17.163 -0.57 O
ATOM 304 N GLN 19 -2.786 -8.932 19.113 -0.42 N
ATOM 305 H GLN 19 -2.415 -9.596 19.782 0.27 H
ATOM 306 CA GLN 19 -3.964 -8.171 19.548 -0.00 C
ATOM 307 HA GLN 19 -4.429 -7.666 18.700 0.09 H
ATOM 308 CB GLN 19 -4.953 -9.169 20.170 -0.00 C
ATOM 309 2HB GLN 19 -5.056 -10.022 19.506 0.02 H
ATOM 310 3HB GLN 19 -4.533 -9.536 21.109 0.02 H
ATOM 311 CG GLN 19 -6.358 -8.605 20.434 -0.06 C
ATOM 312 2HG GLN 19 -6.303 -7.781 21.144 0.04 H
ATOM 313 3HG GLN 19 -6.772 -8.228 19.498 0.04 H
ATOM 314 CD GLN 19 -7.290 -9.674 21.006 0.70 C
ATOM 315 OE1 GLN 19 -6.876 -10.573 21.730 -0.61 O
ATOM 316 NE2 GLN 19 -8.563 -9.648 20.690 -0.94 N
ATOM 317 2HE2 GLN 19 -9.199 -10.329 21.097 0.43 H
ATOM 318 3HE2 GLN 19 -8.955 -8.910 20.110 0.43 H
ATOM 319 C GLN 19 -3.535 -7.146 20.605 0.60 C
ATOM 320 O GLN 19 -2.667 -7.460 21.419 -0.57 O
ATOM 321 N VAL 20 -4.156 -5.963 20.636 -0.42 N
ATOM 322 H VAL 20 -4.866 -5.775 19.932 0.27 H
ATOM 323 CA VAL 20 -3.852 -4.866 21.574 -0.09 C
ATOM 324 HA VAL 20 -3.341 -5.273 22.446 0.10 H
ATOM 325 CB VAL 20 -2.928 -3.813 20.920 0.30 C
ATOM 326 HB VAL 20 -3.452 -3.341 20.091 -0.03 H
ATOM 327 CG1 VAL 20 -2.543 -2.723 21.930 -0.32 C
ATOM 328 2HG1 VAL 20 -1.801 -2.057 21.494 0.08 H
ATOM 329 3HG1 VAL 20 -3.413 -2.122 22.190 0.08 H
ATOM 330 4HG1 VAL 20 -2.132 -3.173 22.833 0.08 H
ATOM 331 CG2 VAL 20 -1.632 -4.419 20.361 -0.32 C
ATOM 332 2HG2 VAL 20 -1.859 -5.092 19.536 0.08 H
ATOM 333 3HG2 VAL 20 -0.985 -3.628 19.981 0.08 H
ATOM 334 4HG2 VAL 20 -1.107 -4.966 21.141 0.08 H
ATOM 335 C VAL 20 -5.149 -4.194 22.041 0.60 C
ATOM 336 O VAL 20 -6.047 -3.932 21.243 -0.57 O
ATOM 337 N THR 21 -5.249 -3.883 23.334 -0.42 N
ATOM 338 H THR 21 -4.478 -4.141 23.946 0.27 H
ATOM 339 CA THR 21 -6.420 -3.249 23.967 -0.04 C
ATOM 340 HA THR 21 -6.961 -2.677 23.213 0.10 H
ATOM 341 CB THR 21 -7.380 -4.327 24.517 0.37 C
ATOM 342 HB THR 21 -7.769 -4.907 23.684 0.00 H
ATOM 343 CG2 THR 21 -6.720 -5.286 25.499 -0.24 C
ATOM 344 2HG2 THR 21 -6.281 -4.713 26.313 0.06 H
ATOM 345 3HG2 THR 21 -7.458 -5.983 25.897 0.06 H
ATOM 346 4HG2 THR 21 -5.945 -5.861 24.995 0.06 H
ATOM 347 OG1 THR 21 -8.471 -3.776 25.223 -0.68 O
ATOM 348 HG1 THR 21 -9.003 -3.272 24.566 0.41 H
ATOM 349 C THR 21 -5.999 -2.272 25.071 0.60 C
ATOM 350 O THR 21 -4.914 -2.391 25.644 -0.57 O
ATOM 351 N CYS 22 -6.873 -1.310 25.385 -0.42 N
ATOM 352 H CYS 22 -7.737 -1.273 24.857 0.27 H
ATOM 353 CA CYS 22 -6.714 -0.366 26.499 0.02 C
ATOM 354 HA CYS 22 -6.092 -0.837 27.261 0.11 H
ATOM 355 CB CYS 22 -5.974 0.877 25.969 -0.12 C
ATOM 356 2HB CYS 22 -5.183 0.559 25.288 0.11 H
ATOM 357 3HB CYS 22 -6.664 1.521 25.425 0.11 H
ATOM 358 SG CYS 22 -5.198 1.805 27.326 -0.31 S
ATOM 359 HG CYS 22 -6.321 2.183 27.954 0.19 H
ATOM 360 C CYS 22 -8.072 -0.042 27.169 0.60 C
ATOM 361 O CYS 22 -8.265 1.046 27.724 -0.57 O
ATOM 362 N GLY 23 -9.053 -0.944 27.060 -0.42 N
ATOM 363 H GLY 23 -8.848 -1.838 26.632 0.27 H
ATOM 364 CA GLY 23 -10.403 -0.770 27.597 -0.03 C
ATOM 365 2HA GLY 23 -10.664 0.283 27.581 0.07 H
ATOM 366 3HA GLY 23 -10.444 -1.123 28.628 0.07 H
ATOM 367 C GLY 23 -11.450 -1.516 26.780 0.60 C
ATOM 368 O GLY 23 -11.215 -2.626 26.302 -0.57 O
ATOM 369 N THR 24 -12.601 -0.877 26.570 -0.42 N
ATOM 370 H THR 24 -12.739 0.014 27.038 0.27 H
ATOM 371 CA THR 24 -13.613 -1.277 25.573 -0.04 C
ATOM 372 HA THR 24 -13.918 -2.303 25.778 0.10 H
ATOM 373 CB THR 24 -14.850 -0.374 25.761 0.37 C
ATOM 374 HB THR 24 -14.524 0.604 26.116 0.00 H
ATOM 375 CG2 THR 24 -15.752 -0.143 24.553 -0.24 C
ATOM 376 2HG2 THR 24 -16.111 -1.094 24.169 0.06 H
ATOM 377 3HG2 THR 24 -16.608 0.466 24.845 0.06 H
ATOM 378 4HG2 THR 24 -15.205 0.385 23.772 0.06 H
ATOM 379 OG1 THR 24 -15.648 -0.977 26.756 -0.68 O
ATOM 380 HG1 THR 24 -16.072 -0.264 27.273 0.41 H
ATOM 381 C THR 24 -13.056 -1.279 24.136 0.60 C
ATOM 382 O THR 24 -13.576 -1.988 23.274 -0.57 O
ATOM 383 N THR 25 -11.959 -0.559 23.889 -0.42 N
ATOM 384 H THR 25 -11.566 -0.027 24.651 0.27 H
ATOM 385 CA THR 25 -11.147 -0.586 22.663 -0.04 C
ATOM 386 HA THR 25 -11.794 -0.512 21.791 0.10 H
ATOM 387 CB THR 25 -10.174 0.605 22.663 0.37 C
ATOM 388 HB THR 25 -9.342 0.397 21.994 0.00 H
ATOM 389 CG2 THR 25 -10.840 1.893 22.207 -0.24 C
ATOM 390 2HG2 THR 25 -10.120 2.706 22.263 0.06 H
ATOM 391 3HG2 THR 25 -11.148 1.788 21.170 0.06 H
ATOM 392 4HG2 THR 25 -11.713 2.115 22.821 0.06 H
ATOM 393 OG1 THR 25 -9.645 0.879 23.948 -0.68 O
ATOM 394 HG1 THR 25 -8.828 1.393 23.771 0.41 H
ATOM 395 C THR 25 -10.294 -1.851 22.518 0.60 C
ATOM 396 O THR 25 -9.492 -2.161 23.406 -0.57 O
ATOM 397 N THR 26 -10.376 -2.523 21.365 -0.42 N
ATOM 398 H THR 26 -11.079 -2.240 20.686 0.27 H
ATOM 399 CA THR 26 -9.416 -3.560 20.935 -0.04 C
ATOM 400 HA THR 26 -8.474 -3.397 21.453 0.10 H
ATOM 401 CB THR 26 -9.906 -4.982 21.266 0.37 C
ATOM 402 HB THR 26 -10.738 -5.244 20.612 0.00 H
ATOM 403 CG2 THR 26 -8.802 -6.030 21.120 -0.24 C
ATOM 404 2HG2 THR 26 -7.922 -5.742 21.689 0.06 H
ATOM 405 3HG2 THR 26 -9.166 -6.988 21.489 0.06 H
ATOM 406 4HG2 THR 26 -8.526 -6.140 20.072 0.06 H
ATOM 407 OG1 THR 26 -10.343 -5.077 22.600 -0.68 O
ATOM 408 HG1 THR 26 -11.297 -4.848 22.568 0.41 H
ATOM 409 C THR 26 -9.153 -3.474 19.429 0.60 C
ATOM 410 O THR 26 -10.073 -3.275 18.632 -0.57 O
ATOM 411 N LEU 27 -7.899 -3.664 19.022 -0.42 N
ATOM 412 H LEU 27 -7.196 -3.848 19.734 0.27 H
ATOM 413 CA LEU 27 -7.446 -3.754 17.629 -0.05 C
ATOM 414 HA LEU 27 -8.214 -4.264 17.043 0.09 H
ATOM 415 CB LEU 27 -7.282 -2.335 17.026 -0.11 C
ATOM 416 2HB LEU 27 -6.748 -2.399 16.083 0.05 H
ATOM 417 3HB LEU 27 -8.277 -1.995 16.765 0.05 H
ATOM 418 CG LEU 27 -6.620 -1.238 17.884 0.35 C
ATOM 419 HG LEU 27 -7.194 -1.077 18.794 -0.04 H
ATOM 420 CD1 LEU 27 -5.185 -1.584 18.259 -0.41 C
ATOM 421 2HD1 LEU 27 -4.618 -1.783 17.356 0.10 H
ATOM 422 3HD1 LEU 27 -4.712 -0.761 18.790 0.10 H
ATOM 423 4HD1 LEU 27 -5.176 -2.463 18.900 0.10 H
ATOM 424 CD2 LEU 27 -6.601 0.066 17.082 -0.41 C
ATOM 425 2HD2 LEU 27 -6.020 -0.072 16.173 0.10 H
ATOM 426 3HD2 LEU 27 -7.620 0.350 16.825 0.10 H
ATOM 427 4HD2 LEU 27 -6.152 0.861 17.676 0.10 H
ATOM 428 C LEU 27 -6.191 -4.643 17.519 0.60 C
ATOM 429 O LEU 27 -5.843 -5.354 18.464 -0.57 O
ATOM 430 N ASN 28 -5.519 -4.638 16.369 -0.42 N
ATOM 431 H ASN 28 -5.834 -4.028 15.624 0.27 H
ATOM 432 CA ASN 28 -4.315 -5.430 16.121 0.01 C
ATOM 433 HA ASN 28 -4.279 -6.258 16.829 0.10 H
ATOM 434 CB ASN 28 -4.384 -6.032 14.705 -0.20 C
ATOM 435 2HB ASN 28 -4.225 -5.247 13.969 0.08 H
ATOM 436 3HB ASN 28 -3.590 -6.768 14.586 0.08 H
ATOM 437 CG ASN 28 -5.707 -6.717 14.412 0.71 C
ATOM 438 OD1 ASN 28 -5.916 -7.881 14.719 -0.59 O
ATOM 439 ND2 ASN 28 -6.622 -6.008 13.801 -0.92 N
ATOM 440 2HD2 ASN 28 -7.515 -6.435 13.606 0.42 H
ATOM 441 3HD2 ASN 28 -6.461 -5.023 13.634 0.42 H
ATOM 442 C ASN 28 -3.039 -4.589 16.316 0.60 C
ATOM 443 O ASN 28 -3.069 -3.363 16.404 -0.57 O
ATOM 444 N GLY 29 -1.888 -5.249 16.336 -0.42 N
ATOM 445 H GLY 29 -1.913 -6.262 16.292 0.27 H
ATOM 446 CA GLY 29 -0.581 -4.606 16.384 -0.03 C
ATOM 447 2HA GLY 29 -0.353 -4.312 17.408 0.07 H
ATOM 448 3HA GLY 29 -0.589 -3.710 15.761 0.07 H
ATOM 449 C GLY 29 0.522 -5.526 15.878 0.60 C
ATOM 450 O GLY 29 0.278 -6.681 15.527 -0.57 O
ATOM 451 N LEU 30 1.744 -5.007 15.861 -0.42 N
ATOM 452 H LEU 30 1.839 -4.042 16.163 0.27 H
ATOM 453 CA LEU 30 2.908 -5.628 15.240 -0.05 C
ATOM 454 HA LEU 30 2.635 -6.617 14.874 0.09 H
ATOM 455 CB LEU 30 3.321 -4.746 14.044 -0.11 C
ATOM 456 2HB LEU 30 2.430 -4.450 13.487 0.05 H
ATOM 457 3HB LEU 30 3.781 -3.834 14.426 0.05 H
ATOM 458 CG LEU 30 4.290 -5.436 13.073 0.35 C
ATOM 459 HG LEU 30 5.088 -5.922 13.632 -0.04 H
ATOM 460 CD1 LEU 30 3.563 -6.478 12.222 -0.41 C
ATOM 461 2HD1 LEU 30 2.723 -6.016 11.706 0.10 H
ATOM 462 3HD1 LEU 30 4.249 -6.897 11.486 0.10 H
ATOM 463 4HD1 LEU 30 3.178 -7.279 12.849 0.10 H
ATOM 464 CD2 LEU 30 4.911 -4.404 12.133 -0.41 C
ATOM 465 2HD2 LEU 30 5.436 -3.643 12.711 0.10 H
ATOM 466 3HD2 LEU 30 5.625 -4.897 11.476 0.10 H
ATOM 467 4HD2 LEU 30 4.145 -3.931 11.527 0.10 H
ATOM 468 C LEU 30 4.015 -5.791 16.290 0.60 C
ATOM 469 O LEU 30 4.660 -4.822 16.673 -0.57 O
ATOM 470 N TRP 31 4.185 -7.006 16.803 -0.42 N
ATOM 471 H TRP 31 3.632 -7.757 16.407 0.27 H
ATOM 472 CA TRP 31 5.191 -7.397 17.793 -0.03 C
ATOM 473 HA TRP 31 5.363 -6.575 18.485 0.11 H
ATOM 474 CB TRP 31 4.614 -8.590 18.569 -0.01 C
ATOM 475 2HB TRP 31 3.639 -8.284 18.943 0.03 H
ATOM 476 3HB TRP 31 4.450 -9.407 17.866 0.03 H
ATOM 477 CG TRP 31 5.350 -9.154 19.749 -0.14 C
ATOM 478 CD1 TRP 31 6.208 -8.505 20.573 -0.16 C
ATOM 479 HD1 TRP 31 6.518 -7.470 20.473 0.21 H
ATOM 480 NE1 TRP 31 6.630 -9.363 21.573 -0.34 N
ATOM 481 HE1 TRP 31 7.299 -9.111 22.295 0.34 H
ATOM 482 CE2 TRP 31 6.079 -10.614 21.436 0.14 C
ATOM 483 CZ2 TRP 31 6.218 -11.804 22.162 -0.26 C
ATOM 484 HZ2 TRP 31 6.848 -11.832 23.033 0.16 H
ATOM 485 CH2 TRP 31 5.540 -12.956 21.734 -0.11 C
ATOM 486 HH2 TRP 31 5.639 -13.881 22.286 0.14 H
ATOM 487 CZ3 TRP 31 4.727 -12.897 20.591 -0.20 C
ATOM 488 HZ3 TRP 31 4.195 -13.782 20.278 0.14 H
ATOM 489 CE3 TRP 31 4.590 -11.695 19.868 -0.24 C
ATOM 490 HE3 TRP 31 3.965 -11.664 18.989 0.17 H
ATOM 491 CD2 TRP 31 5.261 -10.518 20.272 0.12 C
ATOM 492 C TRP 31 6.509 -7.744 17.091 0.60 C
ATOM 493 O TRP 31 6.568 -8.674 16.284 -0.57 O
ATOM 494 N LEU 32 7.565 -6.989 17.382 -0.42 N
ATOM 495 H LEU 32 7.450 -6.256 18.079 0.27 H
ATOM 496 CA LEU 32 8.882 -7.094 16.752 -0.05 C
ATOM 497 HA LEU 32 9.000 -8.075 16.293 0.09 H
ATOM 498 CB LEU 32 9.036 -5.995 15.686 -0.11 C
ATOM 499 2HB LEU 32 8.846 -5.035 16.162 0.05 H
ATOM 500 3HB LEU 32 10.069 -5.991 15.340 0.05 H
ATOM 501 CG LEU 32 8.116 -6.118 14.462 0.35 C
ATOM 502 HG LEU 32 7.084 -6.246 14.781 -0.04 H
ATOM 503 CD1 LEU 32 8.202 -4.838 13.634 -0.41 C
ATOM 504 2HD1 LEU 32 7.833 -3.997 14.220 0.10 H
ATOM 505 3HD1 LEU 32 9.233 -4.651 13.345 0.10 H
ATOM 506 4HD1 LEU 32 7.597 -4.938 12.737 0.10 H
ATOM 507 CD2 LEU 32 8.517 -7.291 13.569 -0.41 C
ATOM 508 2HD2 LEU 32 8.384 -8.226 14.111 0.10 H
ATOM 509 3HD2 LEU 32 7.872 -7.311 12.692 0.10 H
ATOM 510 4HD2 LEU 32 9.555 -7.186 13.254 0.10 H
ATOM 511 C LEU 32 9.949 -6.933 17.834 0.60 C
ATOM 512 O LEU 32 10.031 -5.879 18.470 -0.57 O
ATOM 513 N ASP 33 10.752 -7.976 18.053 -0.52 N
ATOM 514 H ASP 33 10.642 -8.795 17.467 0.29 H
ATOM 515 CA ASP 33 11.488 -8.155 19.311 0.04 C
ATOM 516 HA ASP 33 11.828 -9.190 19.351 0.09 H
ATOM 517 CB ASP 33 12.751 -7.274 19.328 -0.03 C
ATOM 518 2HB ASP 33 12.466 -6.222 19.374 -0.01 H
ATOM 519 3HB ASP 33 13.333 -7.501 20.222 -0.01 H
ATOM 520 CG ASP 33 13.629 -7.513 18.098 0.80 C
ATOM 521 OD1 ASP 33 14.037 -8.679 17.872 -0.80 O
ATOM 522 OD2 ASP 33 13.922 -6.534 17.369 -0.80 O
ATOM 523 C ASP 33 10.531 -7.980 20.511 0.54 C
ATOM 524 O ASP 33 9.440 -8.546 20.496 -0.58 O
ATOM 525 N ASP 34 10.891 -7.241 21.560 -0.52 N
ATOM 526 H ASP 34 11.796 -6.783 21.551 0.29 H
ATOM 527 CA ASP 34 10.067 -7.034 22.764 0.04 C
ATOM 528 HA ASP 34 9.316 -7.822 22.812 0.09 H
ATOM 529 CB ASP 34 10.949 -7.198 24.009 -0.03 C
ATOM 530 2HB ASP 34 10.305 -7.211 24.887 -0.01 H
ATOM 531 3HB ASP 34 11.457 -8.160 23.967 -0.01 H
ATOM 532 CG ASP 34 11.999 -6.101 24.157 0.80 C
ATOM 533 OD1 ASP 34 12.142 -5.526 25.261 -0.80 O
ATOM 534 OD2 ASP 34 12.749 -5.828 23.193 -0.80 O
ATOM 535 C ASP 34 9.265 -5.715 22.757 0.54 C
ATOM 536 O ASP 34 8.928 -5.179 23.814 -0.58 O
ATOM 537 N VAL 35 8.939 -5.192 21.570 -0.42 N
ATOM 538 H VAL 35 9.241 -5.684 20.735 0.27 H
ATOM 539 CA VAL 35 8.119 -3.980 21.376 -0.09 C
ATOM 540 HA VAL 35 7.667 -3.697 22.325 0.10 H
ATOM 541 CB VAL 35 8.980 -2.792 20.890 0.30 C
ATOM 542 HB VAL 35 9.473 -3.070 19.959 -0.03 H
ATOM 543 CG1 VAL 35 8.169 -1.508 20.648 -0.32 C
ATOM 544 2HG1 VAL 35 8.845 -0.691 20.393 0.08 H
ATOM 545 3HG1 VAL 35 7.484 -1.640 19.811 0.08 H
ATOM 546 4HG1 VAL 35 7.611 -1.238 21.545 0.08 H
ATOM 547 CG2 VAL 35 10.052 -2.433 21.925 -0.32 C
ATOM 548 2HG2 VAL 35 10.684 -1.635 21.534 0.08 H
ATOM 549 3HG2 VAL 35 9.582 -2.094 22.847 0.08 H
ATOM 550 4HG2 VAL 35 10.683 -3.294 22.133 0.08 H
ATOM 551 C VAL 35 6.977 -4.274 20.404 0.60 C
ATOM 552 O VAL 35 7.106 -5.088 19.489 -0.57 O
ATOM 553 N VAL 36 5.840 -3.614 20.617 -0.42 N
ATOM 554 H VAL 36 5.789 -3.028 21.443 0.27 H
ATOM 555 CA VAL 36 4.588 -3.811 19.882 -0.09 C
ATOM 556 HA VAL 36 4.766 -4.462 19.032 0.10 H
ATOM 557 CB VAL 36 3.530 -4.474 20.783 0.30 C
ATOM 558 HB VAL 36 3.324 -3.827 21.632 -0.03 H
ATOM 559 CG1 VAL 36 2.216 -4.699 20.024 -0.32 C
ATOM 560 2HG1 VAL 36 2.401 -5.287 19.125 0.08 H
ATOM 561 3HG1 VAL 36 1.507 -5.219 20.666 0.08 H
ATOM 562 4HG1 VAL 36 1.774 -3.743 19.742 0.08 H
ATOM 563 CG2 VAL 36 4.016 -5.822 21.327 -0.32 C
ATOM 564 2HG2 VAL 36 4.954 -5.704 21.868 0.08 H
ATOM 565 3HG2 VAL 36 3.293 -6.217 22.030 0.08 H
ATOM 566 4HG2 VAL 36 4.152 -6.527 20.512 0.08 H
ATOM 567 C VAL 36 4.092 -2.462 19.376 0.60 C
ATOM 568 O VAL 36 3.839 -1.556 20.166 -0.57 O
ATOM 569 N TYR 37 3.942 -2.332 18.061 -0.42 N
ATOM 570 H TYR 37 4.185 -3.125 17.478 0.27 H
ATOM 571 CA TYR 37 3.511 -1.102 17.391 -0.00 C
ATOM 572 HA TYR 37 3.647 -0.251 18.060 0.09 H
ATOM 573 CB TYR 37 4.390 -0.877 16.144 -0.02 C
ATOM 574 2HB TYR 37 4.187 -1.668 15.421 0.03 H
ATOM 575 3HB TYR 37 4.101 0.067 15.680 0.03 H
ATOM 576 CG TYR 37 5.890 -0.855 16.421 -0.00 C
ATOM 577 CD1 TYR 37 6.605 -2.063 16.537 -0.19 C
ATOM 578 HD1 TYR 37 6.107 -3.002 16.379 0.17 H
ATOM 579 CE1 TYR 37 7.967 -2.063 16.880 -0.23 C
ATOM 580 HE1 TYR 37 8.488 -2.997 17.005 0.17 H
ATOM 581 CZ TYR 37 8.649 -0.846 17.065 0.32 C
ATOM 582 OH TYR 37 9.969 -0.849 17.389 -0.56 O
ATOM 583 HH TYR 37 10.301 -1.762 17.473 0.40 H
ATOM 584 CE2 TYR 37 7.949 0.368 16.904 -0.23 C
ATOM 585 HE2 TYR 37 8.478 1.300 17.024 0.17 H
ATOM 586 CD2 TYR 37 6.574 0.364 16.588 -0.19 C
ATOM 587 HD2 TYR 37 6.046 1.300 16.474 0.17 H
ATOM 588 C TYR 37 2.022 -1.218 17.028 0.60 C
ATOM 589 O TYR 37 1.602 -2.248 16.498 -0.57 O
ATOM 590 N CYS 38 1.207 -0.197 17.312 -0.42 N
ATOM 591 H CYS 38 1.581 0.598 17.817 0.27 H
ATOM 592 CA CYS 38 -0.240 -0.214 17.037 0.02 C
ATOM 593 HA CYS 38 -0.407 -0.788 16.126 0.11 H
ATOM 594 CB CYS 38 -0.940 -0.943 18.199 -0.12 C
ATOM 595 2HB CYS 38 -2.009 -1.029 17.996 0.11 H
ATOM 596 3HB CYS 38 -0.534 -1.951 18.282 0.11 H
ATOM 597 SG CYS 38 -0.693 -0.065 19.774 -0.31 S
ATOM 598 HG CYS 38 0.642 0.075 19.701 0.19 H
ATOM 599 C CYS 38 -0.831 1.200 16.820 0.60 C
ATOM 600 O CYS 38 -0.217 2.182 17.244 -0.57 O
ATOM 601 N PRO 39 -2.010 1.351 16.181 -0.25 N
ATOM 602 CA PRO 39 -2.714 2.633 16.076 -0.03 C
ATOM 603 HA PRO 39 -2.093 3.330 15.514 0.06 H
ATOM 604 CB PRO 39 -3.999 2.352 15.285 -0.01 C
ATOM 605 2HB PRO 39 -4.243 3.160 14.601 0.03 H
ATOM 606 3HB PRO 39 -4.838 2.174 15.958 0.03 H
ATOM 607 CG PRO 39 -3.683 1.068 14.534 0.02 C
ATOM 608 2HG PRO 39 -3.136 1.303 13.619 0.02 H
ATOM 609 3HG PRO 39 -4.592 0.513 14.313 0.02 H
ATOM 610 CD PRO 39 -2.771 0.317 15.501 0.02 C
ATOM 611 2HD PRO 39 -3.372 -0.229 16.228 0.04 H
ATOM 612 3HD PRO 39 -2.126 -0.367 14.954 0.04 H
ATOM 613 C PRO 39 -3.038 3.221 17.455 0.59 C
ATOM 614 O PRO 39 -3.749 2.600 18.253 -0.57 O
ATOM 615 N ARG 40 -2.566 4.443 17.733 -0.35 N
ATOM 616 H ARG 40 -2.050 4.936 17.012 0.27 H
ATOM 617 CA ARG 40 -2.794 5.123 19.021 -0.26 C
ATOM 618 HA ARG 40 -2.317 4.529 19.801 0.16 H
ATOM 619 CB ARG 40 -2.137 6.509 19.017 -0.00 C
ATOM 620 2HB ARG 40 -2.195 6.926 20.021 0.03 H
ATOM 621 3HB ARG 40 -1.085 6.408 18.741 0.03 H
ATOM 622 CG ARG 40 -2.828 7.483 18.057 0.04 C
ATOM 623 2HG ARG 40 -2.797 7.087 17.050 0.03 H
ATOM 624 3HG ARG 40 -3.868 7.626 18.336 0.03 H
ATOM 625 CD ARG 40 -2.140 8.835 18.066 0.05 C
ATOM 626 2HD ARG 40 -2.244 9.283 19.048 0.07 H
ATOM 627 3HD ARG 40 -1.078 8.685 17.898 0.07 H
ATOM 628 NE ARG 40 -2.733 9.705 17.038 -0.53 N
ATOM 629 HE ARG 40 -3.515 9.322 16.506 0.35 H
ATOM 630 CZ ARG 40 -2.395 10.950 16.776 0.81 C
ATOM 631 NH1 ARG 40 -1.431 11.557 17.399 -0.86 N
ATOM 632 2HH1 ARG 40 -1.188 12.509 17.168 0.45 H
ATOM 633 3HH1 ARG 40 -0.929 11.073 18.139 0.45 H
ATOM 634 NH2 ARG 40 -3.032 11.619 15.868 -0.86 N
ATOM 635 2HH2 ARG 40 -2.736 12.540 15.616 0.45 H
ATOM 636 3HH2 ARG 40 -3.792 11.153 15.374 0.45 H
ATOM 637 C ARG 40 -4.267 5.229 19.417 0.73 C
ATOM 638 O ARG 40 -4.566 5.250 20.610 -0.59 O
ATOM 639 N HIP 41 -5.203 5.259 18.457 -0.35 N
ATOM 640 H HIP 41 -4.880 5.281 17.491 0.27 H
ATOM 641 CA HIP 41 -6.636 5.419 18.728 -0.14 C
ATOM 642 HA HIP 41 -6.716 6.317 19.350 0.12 H
ATOM 643 CB HIP 41 -7.401 5.734 17.474 0.00 C
ATOM 644 2HB HIP 41 -8.402 6.090 17.743 0.00 H
ATOM 645 3HB HIP 41 -6.908 6.581 16.987 0.00 H
ATOM 646 CG HIP 41 -7.547 4.648 16.461 0.00 C
ATOM 647 ND1 HIP 41 -8.335 3.522 16.634 0.00 N
ATOM 648 HD1 HIP 41 -8.811 3.253 17.495 0.00 H
ATOM 649 CE1 HIP 41 -8.499 2.883 15.475 0.00 C
ATOM 650 HE1 HIP 41 -9.107 2.002 15.302 0.00 H
ATOM 651 NE2 HIP 41 -7.821 3.559 14.554 0.00 N
ATOM 652 HE2 HIP 41 -7.920 3.389 13.550 0.00 H
ATOM 653 CD2 HIP 41 -7.223 4.653 15.132 0.00 C
ATOM 654 HD2 HIP 41 -6.651 5.363 14.559 0.00 H
ATOM 655 C HIP 41 -7.263 4.333 19.629 0.73 C
ATOM 656 O HIP 41 -8.351 4.548 20.164 -0.59 O
ATOM 657 N VAL 42 -6.548 3.234 19.900 -0.42 N
ATOM 658 H VAL 42 -5.668 3.111 19.410 0.27 H
ATOM 659 CA VAL 42 -6.849 2.289 20.994 -0.09 C
ATOM 660 HA VAL 42 -7.832 1.863 20.785 0.10 H
ATOM 661 CB VAL 42 -5.836 1.124 20.973 0.30 C
ATOM 662 HB VAL 42 -5.713 0.837 19.933 -0.03 H
ATOM 663 CG1 VAL 42 -4.449 1.506 21.507 -0.32 C
ATOM 664 2HG1 VAL 42 -4.079 2.393 20.993 0.08 H
ATOM 665 3HG1 VAL 42 -4.486 1.693 22.579 0.08 H
ATOM 666 4HG1 VAL 42 -3.751 0.690 21.316 0.08 H
ATOM 667 CG2 VAL 42 -6.334 -0.120 21.718 -0.32 C
ATOM 668 2HG2 VAL 42 -7.296 -0.431 21.310 0.08 H
ATOM 669 3HG2 VAL 42 -5.626 -0.937 21.575 0.08 H
ATOM 670 4HG2 VAL 42 -6.437 0.083 22.782 0.08 H
ATOM 671 C VAL 42 -6.935 2.935 22.392 0.60 C
ATOM 672 O VAL 42 -7.596 2.370 23.260 -0.57 O
ATOM 673 N ILE 43 -6.332 4.113 22.633 -0.42 N
ATOM 674 H ILE 43 -5.741 4.512 21.910 0.27 H
ATOM 675 CA ILE 43 -6.399 4.811 23.940 -0.06 C
ATOM 676 HA ILE 43 -6.670 4.067 24.687 0.09 H
ATOM 677 CB ILE 43 -5.029 5.363 24.402 0.13 C
ATOM 678 HB ILE 43 -5.140 5.575 25.462 0.02 H
ATOM 679 CG2 ILE 43 -3.957 4.270 24.286 -0.32 C
ATOM 680 2HG2 ILE 43 -3.690 4.111 23.241 0.09 H
ATOM 681 3HG2 ILE 43 -3.066 4.551 24.845 0.09 H
ATOM 682 4HG2 ILE 43 -4.349 3.343 24.704 0.09 H
ATOM 683 CG1 ILE 43 -4.574 6.686 23.748 -0.04 C
ATOM 684 2HG1 ILE 43 -4.250 6.509 22.726 0.02 H
ATOM 685 3HG1 ILE 43 -5.400 7.397 23.727 0.02 H
ATOM 686 CD ILE 43 -3.426 7.338 24.530 -0.07 C
ATOM 687 2HD ILE 43 -3.217 8.329 24.130 0.02 H
ATOM 688 3HD ILE 43 -3.702 7.438 25.579 0.02 H
ATOM 689 4HD ILE 43 -2.526 6.733 24.450 0.02 H
ATOM 690 C ILE 43 -7.504 5.878 24.036 0.60 C
ATOM 691 O ILE 43 -7.666 6.510 25.081 -0.57 O
ATOM 692 N CYS 44 -8.266 6.088 22.962 -0.42 N
ATOM 693 H CYS 44 -8.093 5.528 22.141 0.27 H
ATOM 694 CA CYS 44 -9.448 6.950 22.955 0.02 C
ATOM 695 HA CYS 44 -9.320 7.772 23.664 0.11 H
ATOM 696 CB CYS 44 -9.619 7.537 21.545 -0.12 C
ATOM 697 2HB CYS 44 -9.417 6.783 20.784 0.11 H
ATOM 698 3HB CYS 44 -10.633 7.914 21.396 0.11 H
ATOM 699 SG CYS 44 -8.464 8.909 21.385 -0.31 S
ATOM 700 HG CYS 44 -8.380 8.927 20.046 0.19 H
ATOM 701 C CYS 44 -10.713 6.187 23.362 0.60 C
ATOM 702 O CYS 44 -10.758 4.953 23.376 -0.57 O
ATOM 703 N THR 45 -11.784 6.938 23.572 -0.42 N
ATOM 704 H THR 45 -11.648 7.940 23.650 0.27 H
ATOM 705 CA THR 45 -13.172 6.467 23.634 -0.04 C
ATOM 706 HA THR 45 -13.214 5.399 23.419 0.10 H
ATOM 707 CB THR 45 -13.751 6.695 25.040 0.37 C
ATOM 708 HB THR 45 -14.743 6.246 25.090 0.00 H
ATOM 709 CG2 THR 45 -12.874 6.072 26.129 -0.24 C
ATOM 710 2HG2 THR 45 -13.366 6.145 27.095 0.06 H
ATOM 711 3HG2 THR 45 -12.693 5.023 25.902 0.06 H
ATOM 712 4HG2 THR 45 -11.919 6.592 26.195 0.06 H
ATOM 713 OG1 THR 45 -13.871 8.073 25.321 -0.68 O
ATOM 714 HG1 THR 45 -12.961 8.457 25.352 0.41 H
ATOM 715 C THR 45 -13.995 7.191 22.563 0.60 C
ATOM 716 O THR 45 -13.505 8.144 21.948 -0.57 O
ATOM 717 N SER 46 -15.242 6.778 22.316 -0.42 N
ATOM 718 H SER 46 -15.589 5.951 22.785 0.27 H
ATOM 719 CA SER 46 -16.111 7.443 21.321 -0.02 C
ATOM 720 HA SER 46 -15.658 7.321 20.336 0.08 H
ATOM 721 CB SER 46 -17.514 6.827 21.283 0.21 C
ATOM 722 2HB SER 46 -18.113 7.251 22.083 0.04 H
ATOM 723 3HB SER 46 -17.994 7.073 20.335 0.04 H
ATOM 724 OG SER 46 -17.475 5.421 21.447 -0.65 O
ATOM 725 HG SER 46 -16.966 5.068 20.677 0.43 H
ATOM 726 C SER 46 -16.270 8.948 21.574 0.60 C
ATOM 727 O SER 46 -16.371 9.727 20.627 -0.57 O
ATOM 728 N GLU 47 -16.269 9.347 22.847 -0.52 N
ATOM 729 H GLU 47 -16.251 8.630 23.559 0.29 H
ATOM 730 CA GLU 47 -16.336 10.740 23.290 0.04 C
ATOM 731 HA GLU 47 -17.145 11.246 22.762 0.11 H
ATOM 732 CB GLU 47 -16.628 10.794 24.803 0.06 C
ATOM 733 2HB GLU 47 -15.805 10.335 25.354 -0.02 H
ATOM 734 3HB GLU 47 -16.671 11.845 25.091 -0.02 H
ATOM 735 CG GLU 47 -17.955 10.139 25.233 0.01 C
ATOM 736 2HG GLU 47 -18.250 10.568 26.193 -0.04 H
ATOM 737 3HG GLU 47 -18.734 10.393 24.511 -0.04 H
ATOM 738 CD GLU 47 -17.854 8.615 25.395 0.81 C
ATOM 739 OE1 GLU 47 -18.240 7.870 24.460 -0.82 O
ATOM 740 OE2 GLU 47 -17.373 8.138 26.447 -0.82 O
ATOM 741 C GLU 47 -15.040 11.513 22.986 0.54 C
ATOM 742 O GLU 47 -15.097 12.682 22.607 -0.58 O
ATOM 743 N ASP 48 -13.871 10.874 23.113 -0.52 N
ATOM 744 H ASP 48 -13.889 9.899 23.381 0.29 H
ATOM 745 CA ASP 48 -12.572 11.491 22.803 0.04 C
ATOM 746 HA ASP 48 -12.506 12.465 23.289 0.09 H
ATOM 747 CB ASP 48 -11.418 10.608 23.294 -0.03 C
ATOM 748 2HB ASP 48 -11.469 9.637 22.804 -0.01 H
ATOM 749 3HB ASP 48 -10.471 11.069 23.010 -0.01 H
ATOM 750 CG ASP 48 -11.417 10.419 24.800 0.80 C
ATOM 751 OD1 ASP 48 -11.277 11.423 25.530 -0.80 O
ATOM 752 OD2 ASP 48 -11.543 9.252 25.238 -0.80 O
ATOM 753 C ASP 48 -12.371 11.696 21.301 0.54 C
ATOM 754 O ASP 48 -11.887 12.744 20.879 -0.58 O
ATOM 755 N MET 49 -12.748 10.693 20.498 -0.42 N
ATOM 756 H MET 49 -13.162 9.883 20.950 0.27 H
ATOM 757 CA MET 49 -12.378 10.560 19.082 -0.02 C
ATOM 758 HA MET 49 -11.297 10.416 19.041 0.09 H
ATOM 759 CB MET 49 -13.062 9.307 18.509 0.03 C
ATOM 760 2HB MET 49 -13.101 8.522 19.265 0.02 H
ATOM 761 3HB MET 49 -14.086 9.555 18.228 0.02 H
ATOM 762 CG MET 49 -12.315 8.755 17.290 0.00 C
ATOM 763 2HG MET 49 -12.980 8.084 16.748 0.04 H
ATOM 764 3HG MET 49 -12.054 9.574 16.621 0.04 H
ATOM 765 SD MET 49 -10.806 7.841 17.701 -0.27 S
ATOM 766 CE MET 49 -11.535 6.200 17.943 -0.05 C
ATOM 767 2HE MET 49 -12.047 5.884 17.033 0.07 H
ATOM 768 3HE MET 49 -10.751 5.482 18.177 0.07 H
ATOM 769 4HE MET 49 -12.251 6.236 18.764 0.07 H
ATOM 770 C MET 49 -12.706 11.792 18.219 0.60 C
ATOM 771 O MET 49 -12.049 12.035 17.207 -0.57 O
ATOM 772 N LEU 50 -13.701 12.583 18.630 -0.42 N
ATOM 773 H LEU 50 -14.153 12.324 19.495 0.27 H
ATOM 774 CA LEU 50 -14.121 13.832 17.992 -0.05 C
ATOM 775 HA LEU 50 -14.381 13.627 16.953 0.09 H
ATOM 776 CB LEU 50 -15.371 14.354 18.727 -0.11 C
ATOM 777 2HB LEU 50 -15.081 14.614 19.746 0.05 H
ATOM 778 3HB LEU 50 -15.708 15.266 18.232 0.05 H
ATOM 779 CG LEU 50 -16.556 13.370 18.813 0.35 C
ATOM 780 HG LEU 50 -16.248 12.472 19.349 -0.04 H
ATOM 781 CD1 LEU 50 -17.702 14.013 19.592 -0.41 C
ATOM 782 2HD1 LEU 50 -18.050 14.909 19.080 0.10 H
ATOM 783 3HD1 LEU 50 -18.525 13.305 19.685 0.10 H
ATOM 784 4HD1 LEU 50 -17.357 14.278 20.592 0.10 H
ATOM 785 CD2 LEU 50 -17.077 12.963 17.435 -0.41 C
ATOM 786 2HD2 LEU 50 -17.365 13.846 16.865 0.10 H
ATOM 787 3HD2 LEU 50 -16.309 12.417 16.890 0.10 H
ATOM 788 4HD2 LEU 50 -17.943 12.311 17.546 0.10 H
ATOM 789 C LEU 50 -13.022 14.914 17.972 0.60 C
ATOM 790 O LEU 50 -12.950 15.685 17.013 -0.57 O
ATOM 791 N ASN 51 -12.167 14.983 18.998 -0.42 N
ATOM 792 H ASN 51 -12.275 14.288 19.733 0.27 H
ATOM 793 CA ASN 51 -10.991 15.864 19.086 0.01 C
ATOM 794 HA ASN 51 -10.426 15.773 18.159 0.10 H
ATOM 795 CB ASN 51 -11.413 17.344 19.234 -0.20 C
ATOM 796 2HB ASN 51 -12.053 17.646 18.409 0.08 H
ATOM 797 3HB ASN 51 -11.977 17.466 20.157 0.08 H
ATOM 798 CG ASN 51 -10.214 18.283 19.247 0.71 C
ATOM 799 OD1 ASN 51 -9.247 18.112 18.516 -0.59 O
ATOM 800 ND2 ASN 51 -10.206 19.280 20.094 -0.92 N
ATOM 801 2HD2 ASN 51 -9.402 19.879 20.122 0.42 H
ATOM 802 3HD2 ASN 51 -10.944 19.362 20.790 0.42 H
ATOM 803 C ASN 51 -10.049 15.420 20.230 0.60 C
ATOM 804 O ASN 51 -9.966 16.103 21.259 -0.57 O
ATOM 805 N PRO 52 -9.356 14.277 20.105 -0.25 N
ATOM 806 CA PRO 52 -8.455 13.789 21.144 -0.03 C
ATOM 807 HA PRO 52 -8.921 13.867 22.126 0.06 H
ATOM 808 CB PRO 52 -8.235 12.318 20.798 -0.01 C
ATOM 809 2HB PRO 52 -9.051 11.733 21.221 0.03 H
ATOM 810 3HB PRO 52 -7.272 11.943 21.146 0.03 H
ATOM 811 CG PRO 52 -8.335 12.290 19.276 0.02 C
ATOM 812 2HG PRO 52 -8.664 11.315 18.922 0.02 H
ATOM 813 3HG PRO 52 -7.375 12.565 18.839 0.02 H
ATOM 814 CD PRO 52 -9.361 13.374 18.962 0.02 C
ATOM 815 2HD PRO 52 -9.086 13.892 18.043 0.04 H
ATOM 816 3HD PRO 52 -10.342 12.920 18.860 0.04 H
ATOM 817 C PRO 52 -7.135 14.567 21.142 0.59 C
ATOM 818 O PRO 52 -6.739 15.131 20.117 -0.57 O
ATOM 819 N ASN 53 -6.419 14.560 22.264 -0.42 N
ATOM 820 H ASN 53 -6.841 14.188 23.111 0.27 H
ATOM 821 CA ASN 53 -5.060 15.083 22.376 0.01 C
ATOM 822 HA ASN 53 -4.673 15.292 21.377 0.10 H
ATOM 823 CB ASN 53 -5.077 16.403 23.167 -0.20 C
ATOM 824 2HB ASN 53 -5.837 17.065 22.762 0.08 H
ATOM 825 3HB ASN 53 -5.321 16.195 24.209 0.08 H
ATOM 826 CG ASN 53 -3.756 17.144 23.099 0.71 C
ATOM 827 OD1 ASN 53 -3.002 17.027 22.142 -0.59 O
ATOM 828 ND2 ASN 53 -3.434 17.938 24.087 -0.92 N
ATOM 829 2HD2 ASN 53 -4.088 18.075 24.860 0.42 H
ATOM 830 3HD2 ASN 53 -2.570 18.442 24.037 0.42 H
ATOM 831 C ASN 53 -4.168 14.004 23.001 0.60 C
ATOM 832 O ASN 53 -4.156 13.800 24.213 -0.57 O
ATOM 833 N TYR 54 -3.478 13.234 22.164 -0.42 N
ATOM 834 H TYR 54 -3.508 13.444 21.171 0.27 H
ATOM 835 CA TYR 54 -2.796 12.011 22.590 -0.00 C
ATOM 836 HA TYR 54 -3.527 11.403 23.120 0.09 H
ATOM 837 CB TYR 54 -2.379 11.214 21.358 -0.02 C
ATOM 838 2HB TYR 54 -1.857 11.864 20.654 0.03 H
ATOM 839 3HB TYR 54 -1.685 10.429 21.659 0.03 H
ATOM 840 CG TYR 54 -3.575 10.567 20.686 -0.00 C
ATOM 841 CD1 TYR 54 -4.050 9.327 21.153 -0.19 C
ATOM 842 HD1 TYR 54 -3.566 8.850 21.989 0.17 H
ATOM 843 CE1 TYR 54 -5.141 8.701 20.522 -0.23 C
ATOM 844 HE1 TYR 54 -5.513 7.756 20.881 0.17 H
ATOM 845 CZ TYR 54 -5.753 9.310 19.406 0.32 C
ATOM 846 OH TYR 54 -6.778 8.684 18.773 -0.56 O
ATOM 847 HH TYR 54 -7.136 9.203 18.022 0.40 H
ATOM 848 CE2 TYR 54 -5.285 10.556 18.949 -0.23 C
ATOM 849 HE2 TYR 54 -5.743 11.012 18.092 0.17 H
ATOM 850 CD2 TYR 54 -4.207 11.189 19.594 -0.19 C
ATOM 851 HD2 TYR 54 -3.845 12.137 19.223 0.17 H
ATOM 852 C TYR 54 -1.646 12.225 23.583 0.60 C
ATOM 853 O TYR 54 -1.464 11.379 24.458 -0.57 O
ATOM 854 N GLU 55 -0.962 13.376 23.558 -0.52 N
ATOM 855 H GLU 55 -1.127 14.026 22.798 0.29 H
ATOM 856 CA GLU 55 -0.021 13.776 24.623 0.04 C
ATOM 857 HA GLU 55 0.688 12.962 24.765 0.11 H
ATOM 858 CB GLU 55 0.741 15.056 24.222 0.06 C
ATOM 859 2HB GLU 55 0.013 15.813 23.923 -0.02 H
ATOM 860 3HB GLU 55 1.276 15.448 25.088 -0.02 H
ATOM 861 CG GLU 55 1.759 14.873 23.087 0.01 C
ATOM 862 2HG GLU 55 1.259 14.437 22.222 -0.04 H
ATOM 863 3HG GLU 55 2.118 15.862 22.796 -0.04 H
ATOM 864 CD GLU 55 2.973 14.008 23.456 0.81 C
ATOM 865 OE1 GLU 55 3.882 13.887 22.606 -0.82 O
ATOM 866 OE2 GLU 55 3.004 13.386 24.544 -0.82 O
ATOM 867 C GLU 55 -0.681 14.002 25.998 0.54 C
ATOM 868 O GLU 55 0.014 14.124 27.008 -0.58 O
ATOM 869 N ASP 56 -2.011 14.042 26.063 -0.52 N
ATOM 870 H ASP 56 -2.527 13.969 25.194 0.29 H
ATOM 871 CA ASP 56 -2.803 14.279 27.273 0.04 C
ATOM 872 HA ASP 56 -2.132 14.484 28.104 0.09 H
ATOM 873 CB ASP 56 -3.677 15.520 27.029 -0.03 C
ATOM 874 2HB ASP 56 -3.169 16.184 26.328 -0.01 H
ATOM 875 3HB ASP 56 -4.623 15.217 26.575 -0.01 H
ATOM 876 CG ASP 56 -3.942 16.334 28.292 0.80 C
ATOM 877 OD1 ASP 56 -5.069 16.866 28.427 -0.80 O
ATOM 878 OD2 ASP 56 -2.994 16.526 29.087 -0.80 O
ATOM 879 C ASP 56 -3.632 13.045 27.671 0.54 C
ATOM 880 O ASP 56 -3.878 12.817 28.855 -0.58 O
ATOM 881 N LEU 57 -3.973 12.184 26.707 -0.42 N
ATOM 882 H LEU 57 -3.830 12.485 25.750 0.27 H
ATOM 883 CA LEU 57 -4.519 10.845 26.951 -0.05 C
ATOM 884 HA LEU 57 -5.263 10.901 27.747 0.09 H
ATOM 885 CB LEU 57 -5.192 10.337 25.664 -0.11 C
ATOM 886 2HB LEU 57 -4.494 10.467 24.838 0.05 H
ATOM 887 3HB LEU 57 -5.388 9.268 25.761 0.05 H
ATOM 888 CG LEU 57 -6.519 11.041 25.333 0.35 C
ATOM 889 HG LEU 57 -6.424 12.115 25.480 -0.04 H
ATOM 890 CD1 LEU 57 -6.876 10.780 23.872 -0.41 C
ATOM 891 2HD1 LEU 57 -6.950 9.708 23.695 0.10 H
ATOM 892 3HD1 LEU 57 -7.832 11.252 23.643 0.10 H
ATOM 893 4HD1 LEU 57 -6.110 11.203 23.223 0.10 H
ATOM 894 CD2 LEU 57 -7.657 10.498 26.199 -0.41 C
ATOM 895 2HD2 LEU 57 -7.776 9.426 26.049 0.10 H
ATOM 896 3HD2 LEU 57 -7.458 10.701 27.251 0.10 H
ATOM 897 4HD2 LEU 57 -8.586 11.000 25.933 0.10 H
ATOM 898 C LEU 57 -3.445 9.843 27.404 0.60 C
ATOM 899 O LEU 57 -3.678 9.085 28.343 -0.57 O
ATOM 900 N LEU 58 -2.266 9.807 26.768 -0.42 N
ATOM 901 H LEU 58 -2.102 10.458 26.004 0.27 H
ATOM 902 CA LEU 58 -1.239 8.790 27.049 -0.05 C
ATOM 903 HA LEU 58 -1.722 7.815 26.990 0.09 H
ATOM 904 CB LEU 58 -0.157 8.857 25.951 -0.11 C
ATOM 905 2HB LEU 58 -0.672 8.837 24.991 0.05 H
ATOM 906 3HB LEU 58 0.355 9.820 26.008 0.05 H
ATOM 907 CG LEU 58 0.904 7.735 25.899 0.35 C
ATOM 908 HG LEU 58 1.369 7.786 24.916 -0.04 H
ATOM 909 CD1 LEU 58 2.026 7.910 26.916 -0.41 C
ATOM 910 2HD1 LEU 58 2.832 7.218 26.680 0.10 H
ATOM 911 3HD1 LEU 58 2.413 8.926 26.862 0.10 H
ATOM 912 4HD1 LEU 58 1.683 7.714 27.925 0.10 H
ATOM 913 CD2 LEU 58 0.331 6.323 26.063 -0.41 C
ATOM 914 2HD2 LEU 58 -0.040 6.179 27.076 0.10 H
ATOM 915 3HD2 LEU 58 -0.478 6.165 25.355 0.10 H
ATOM 916 4HD2 LEU 58 1.114 5.592 25.862 0.10 H
ATOM 917 C LEU 58 -0.678 8.918 28.474 0.60 C
ATOM 918 O LEU 58 -0.505 7.911 29.164 -0.57 O
ATOM 919 N ILE 59 -0.484 10.144 28.969 -0.42 N
ATOM 920 H ILE 59 -0.642 10.934 28.359 0.27 H
ATOM 921 CA ILE 59 -0.101 10.408 30.367 -0.06 C
ATOM 922 HA ILE 59 0.814 9.848 30.551 0.09 H
ATOM 923 CB ILE 59 0.242 11.905 30.557 0.13 C
ATOM 924 HB ILE 59 1.018 12.157 29.831 0.02 H
ATOM 925 CG2 ILE 59 -0.965 12.803 30.254 -0.32 C
ATOM 926 2HG2 ILE 59 -1.274 12.668 29.221 0.09 H
ATOM 927 3HG2 ILE 59 -1.799 12.582 30.916 0.09 H
ATOM 928 4HG2 ILE 59 -0.689 13.850 30.379 0.09 H
ATOM 929 CG1 ILE 59 0.803 12.253 31.954 -0.04 C
ATOM 930 2HG1 ILE 59 1.036 13.316 31.979 0.02 H
ATOM 931 3HG1 ILE 59 0.050 12.067 32.719 0.02 H
ATOM 932 CD ILE 59 2.087 11.493 32.313 -0.07 C
ATOM 933 2HD ILE 59 2.836 11.641 31.534 0.02 H
ATOM 934 3HD ILE 59 2.477 11.876 33.256 0.02 H
ATOM 935 4HD ILE 59 1.884 10.429 32.429 0.02 H
ATOM 936 C ILE 59 -1.135 9.892 31.391 0.60 C
ATOM 937 O ILE 59 -0.768 9.576 32.521 -0.57 O
ATOM 938 N ARG 60 -2.411 9.721 31.007 -0.35 N
ATOM 939 H ARG 60 -2.658 9.970 30.055 0.27 H
ATOM 940 CA ARG 60 -3.459 9.095 31.841 -0.26 C
ATOM 941 HA ARG 60 -3.262 9.321 32.890 0.16 H
ATOM 942 CB ARG 60 -4.844 9.656 31.462 -0.00 C
ATOM 943 2HB ARG 60 -5.037 9.475 30.406 0.03 H
ATOM 944 3HB ARG 60 -5.614 9.122 32.017 0.03 H
ATOM 945 CG ARG 60 -5.017 11.154 31.738 0.04 C
ATOM 946 2HG ARG 60 -4.263 11.719 31.192 0.03 H
ATOM 947 3HG ARG 60 -5.999 11.451 31.369 0.03 H
ATOM 948 CD ARG 60 -4.931 11.502 33.230 0.05 C
ATOM 949 2HD ARG 60 -5.626 10.866 33.781 0.07 H
ATOM 950 3HD ARG 60 -3.924 11.309 33.601 0.07 H
ATOM 951 NE ARG 60 -5.297 12.908 33.464 -0.53 N
ATOM 952 HE ARG 60 -6.276 13.110 33.639 0.35 H
ATOM 953 CZ ARG 60 -4.532 13.977 33.359 0.81 C
ATOM 954 NH1 ARG 60 -3.256 13.900 33.108 -0.86 N
ATOM 955 2HH1 ARG 60 -2.686 14.738 32.997 0.45 H
ATOM 956 3HH1 ARG 60 -2.843 13.009 32.944 0.45 H
ATOM 957 NH2 ARG 60 -5.077 15.142 33.523 -0.86 N
ATOM 958 2HH2 ARG 60 -4.545 15.989 33.335 0.45 H
ATOM 959 3HH2 ARG 60 -6.082 15.186 33.616 0.45 H
ATOM 960 C ARG 60 -3.482 7.562 31.773 0.73 C
ATOM 961 O ARG 60 -4.245 6.947 32.525 -0.59 O
ATOM 962 N LYS 61 -2.674 6.931 30.913 -0.35 N
ATOM 963 H LYS 61 -2.062 7.499 30.339 0.27 H
ATOM 964 CA LYS 61 -2.554 5.465 30.810 -0.24 C
ATOM 965 HA LYS 61 -3.447 5.008 31.234 0.14 H
ATOM 966 CB LYS 61 -2.452 5.023 29.334 -0.01 C
ATOM 967 2HB LYS 61 -1.506 5.374 28.918 0.04 H
ATOM 968 3HB LYS 61 -2.441 3.933 29.303 0.04 H
ATOM 969 CG LYS 61 -3.595 5.497 28.420 0.02 C
ATOM 970 2HG LYS 61 -3.484 6.563 28.234 0.01 H
ATOM 971 3HG LYS 61 -3.507 4.979 27.464 0.01 H
ATOM 972 CD LYS 61 -4.988 5.234 29.008 -0.05 C
ATOM 973 2HD LYS 61 -5.077 4.178 29.266 0.06 H
ATOM 974 3HD LYS 61 -5.120 5.833 29.909 0.06 H
ATOM 975 CE LYS 61 -6.087 5.613 28.015 -0.01 C
ATOM 976 2HE LYS 61 -5.952 6.653 27.704 0.11 H
ATOM 977 3HE LYS 61 -6.013 4.967 27.137 0.11 H
ATOM 978 NZ LYS 61 -7.421 5.439 28.617 -0.39 N
ATOM 979 2HZ LYS 61 -7.574 4.464 28.862 0.34 H
ATOM 980 3HZ LYS 61 -7.524 5.992 29.464 0.34 H
ATOM 981 4HZ LYS 61 -8.155 5.701 27.966 0.34 H
ATOM 982 C LYS 61 -1.383 4.918 31.631 0.73 C
ATOM 983 O LYS 61 -0.488 5.652 32.060 -0.59 O
ATOM 984 N SER 62 -1.403 3.606 31.830 -0.42 N
ATOM 985 H SER 62 -2.198 3.096 31.475 0.27 H
ATOM 986 CA SER 62 -0.425 2.830 32.594 -0.02 C