Browse entries in the PDBbind-CN Database
HEADER 5SZC_COMPLEX COMPND 5SZC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 GLY THR VAL ILE PRO ASN ASN TYR CYS ASP PHE CYS LEU SEQRES 2 A 115 GLY GLY SER ASN MET ASN LYS LYS SER GLY ARG PRO GLU SEQRES 3 A 115 GLU LEU VAL SER CYS ALA ASP CYS GLY ARG SER GLY HIS SEQRES 4 A 115 PRO THR CYS LEU GLN PHE THR LEU ASN MET THR GLU ALA SEQRES 5 A 115 VAL LYS THR TYR LYS TRP GLN CYS ILE GLU CYS LYS SER SEQRES 6 A 115 CYS ILE LEU CYS GLY THR SER GLU ASN ASP ASP GLN LEU SEQRES 7 A 115 LEU PHE CYS ASP ASP CYS ASP ARG GLY TYR HIS MET TYR SEQRES 8 A 115 CYS LEU ASN PRO PRO VAL ALA GLU PRO PRO GLU GLY SER SEQRES 9 A 115 TRP SER CYS HIS LEU CYS TRP GLU LEU LEU LYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 292 238 ATOM 1 N GLY A 254 26.576 22.957 72.956 1.00 28.01 N ATOM 2 CA GLY A 254 26.587 21.603 72.429 1.00 26.87 C ATOM 3 C GLY A 254 26.582 21.581 70.920 1.00 25.75 C ATOM 4 O GLY A 254 27.104 22.481 70.266 1.00 26.73 O ATOM 5 HN3 GLY A 254 25.721 23.449 72.627 1.00 0.00 H ATOM 6 HN2 GLY A 254 27.420 23.465 72.621 1.00 0.00 H ATOM 7 HN1 GLY A 254 26.580 22.923 73.995 1.00 0.00 H ATOM 8 N THR A 255 25.969 20.541 70.368 1.00 25.39 N ATOM 9 CA THR A 255 25.949 20.312 68.933 1.00 26.73 C ATOM 10 C THR A 255 24.749 20.985 68.244 1.00 28.34 C ATOM 11 O THR A 255 24.555 20.781 67.040 1.00 31.90 O ATOM 12 CB THR A 255 26.012 18.794 68.663 1.00 26.53 C ATOM 13 OG1 THR A 255 24.715 18.209 68.836 1.00 28.04 O ATOM 14 CG2 THR A 255 26.995 18.102 69.639 1.00 25.87 C ATOM 15 HG1 THR A 255 24.079 18.626 68.202 1.00 0.00 H ATOM 16 H THR A 255 25.483 19.862 70.988 1.00 0.00 H ATOM 17 N VAL A 256 23.996 21.833 68.969 1.00 29.14 N ATOM 18 CA VAL A 256 22.781 22.481 68.448 1.00 28.91 C ATOM 19 C VAL A 256 23.096 23.342 67.233 1.00 28.24 C ATOM 20 O VAL A 256 23.996 24.192 67.270 1.00 32.85 O ATOM 21 CB VAL A 256 22.141 23.379 69.526 1.00 29.17 C ATOM 22 CG1 VAL A 256 20.831 24.010 69.021 1.00 28.19 C ATOM 23 CG2 VAL A 256 21.899 22.634 70.821 1.00 30.24 C ATOM 24 H VAL A 256 24.287 22.041 69.946 1.00 0.00 H ATOM 25 N ILE A 257 22.314 23.168 66.167 1.00 25.91 N ATOM 26 CA ILE A 257 22.259 24.100 65.036 1.00 24.67 C ATOM 27 C ILE A 257 20.788 24.432 64.806 1.00 21.36 C ATOM 28 O ILE A 257 19.977 23.503 64.718 1.00 22.05 O ATOM 29 CB ILE A 257 22.866 23.476 63.766 1.00 24.20 C ATOM 30 CG1 ILE A 257 24.317 23.042 63.995 1.00 25.90 C ATOM 31 CG2 ILE A 257 22.761 24.451 62.576 1.00 24.83 C ATOM 32 CD1 ILE A 257 25.249 24.185 64.290 1.00 29.63 C ATOM 33 H ILE A 257 21.708 22.323 66.136 1.00 0.00 H ATOM 34 N PRO A 258 20.388 25.704 64.709 1.00 19.77 N ATOM 35 CA PRO A 258 18.973 25.998 64.444 1.00 17.06 C ATOM 36 C PRO A 258 18.540 25.432 63.104 1.00 14.33 C ATOM 37 O PRO A 258 19.232 25.569 62.098 1.00 15.25 O ATOM 38 CB PRO A 258 18.923 27.527 64.426 1.00 19.52 C ATOM 39 CG PRO A 258 20.060 27.943 65.288 1.00 23.01 C ATOM 40 CD PRO A 258 21.140 26.935 65.009 1.00 22.31 C ATOM 41 N ASN A 259 17.370 24.817 63.089 1.00 12.36 N ATOM 42 CA ASN A 259 16.812 24.348 61.841 1.00 12.32 C ATOM 43 C ASN A 259 16.468 25.542 60.972 1.00 10.76 C ATOM 44 O ASN A 259 16.021 26.583 61.458 1.00 11.65 O ATOM 45 CB ASN A 259 15.545 23.562 62.119 1.00 11.63 C ATOM 46 CG ASN A 259 15.811 22.213 62.672 1.00 13.50 C ATOM 47 OD1 ASN A 259 16.957 21.820 62.858 1.00 15.93 O ATOM 48 ND2 ASN A 259 14.752 21.489 62.957 1.00 13.82 N ATOM 49 HD22 ASN A 259 13.800 21.868 62.780 1.00 0.00 H ATOM 50 HD21 ASN A 259 14.866 20.537 63.359 1.00 0.00 H ATOM 51 H ASN A 259 16.850 24.670 63.977 1.00 0.00 H ATOM 52 N ASN A 260 16.667 25.392 59.676 1.00 12.30 N ATOM 53 CA ASN A 260 16.400 26.477 58.747 1.00 12.32 C ATOM 54 C ASN A 260 14.999 26.430 58.166 1.00 11.31 C ATOM 55 O ASN A 260 14.724 27.128 57.180 1.00 11.70 O ATOM 56 CB ASN A 260 17.441 26.481 57.634 1.00 14.61 C ATOM 57 CG ASN A 260 17.320 25.297 56.700 1.00 16.90 C ATOM 58 OD1 ASN A 260 16.432 24.460 56.819 1.00 15.73 O ATOM 59 ND2 ASN A 260 18.237 25.228 55.746 1.00 20.48 N ATOM 60 HD22 ASN A 260 18.974 25.959 55.679 1.00 0.00 H ATOM 61 HD21 ASN A 260 18.220 24.443 55.064 1.00 0.00 H ATOM 62 H ASN A 260 17.020 24.483 59.314 1.00 0.00 H ATOM 63 N TYR A 261 14.104 25.654 58.767 1.00 11.47 N ATOM 64 CA TYR A 261 12.742 25.533 58.278 1.00 10.98 C ATOM 65 C TYR A 261 11.785 25.511 59.457 1.00 9.63 C ATOM 66 O TYR A 261 12.141 25.093 60.564 1.00 9.68 O ATOM 67 CB TYR A 261 12.556 24.263 57.428 1.00 12.30 C ATOM 68 CG TYR A 261 12.743 22.995 58.230 1.00 11.93 C ATOM 69 CD1 TYR A 261 13.998 22.457 58.449 1.00 11.84 C ATOM 70 CD2 TYR A 261 11.659 22.367 58.819 1.00 12.22 C ATOM 71 CE1 TYR A 261 14.152 21.306 59.201 1.00 12.52 C ATOM 72 CE2 TYR A 261 11.806 21.236 59.558 1.00 12.15 C ATOM 73 CZ TYR A 261 13.055 20.717 59.765 1.00 12.33 C ATOM 74 OH TYR A 261 13.193 19.580 60.512 1.00 15.72 O ATOM 75 HH TYR A 261 14.151 19.337 60.567 1.00 0.00 H ATOM 76 H TYR A 261 14.387 25.118 59.612 1.00 0.00 H ATOM 77 N CYS A 262 10.555 25.931 59.186 1.00 8.85 N ATOM 78 CA CYS A 262 9.516 25.975 60.192 1.00 9.23 C ATOM 79 C CYS A 262 8.866 24.611 60.350 1.00 9.19 C ATOM 80 O CYS A 262 8.438 23.989 59.375 1.00 10.42 O ATOM 81 CB CYS A 262 8.477 26.987 59.740 1.00 9.25 C ATOM 82 SG CYS A 262 7.005 27.093 60.741 1.00 9.04 S ATOM 83 H CYS A 262 10.331 26.239 58.218 1.00 0.00 H ATOM 84 N ASP A 263 8.770 24.156 61.589 1.00 9.03 N ATOM 85 CA ASP A 263 8.139 22.877 61.855 1.00 11.63 C ATOM 86 C ASP A 263 6.701 22.829 61.365 1.00 12.33 C ATOM 87 O ASP A 263 6.188 21.742 61.090 1.00 14.97 O ATOM 88 CB ASP A 263 8.119 22.614 63.356 1.00 12.78 C ATOM 89 CG ASP A 263 9.388 21.981 63.875 1.00 13.70 C ATOM 90 OD1 ASP A 263 10.219 21.546 63.061 1.00 13.44 O ATOM 91 OD2 ASP A 263 9.524 21.914 65.111 1.00 16.41 O ATOM 92 H ASP A 263 9.149 24.719 62.377 1.00 0.00 H ATOM 93 N PHE A 264 6.021 23.967 61.310 1.00 10.71 N ATOM 94 CA PHE A 264 4.600 24.010 60.997 1.00 12.28 C ATOM 95 C PHE A 264 4.357 24.042 59.497 1.00 12.59 C ATOM 96 O PHE A 264 3.574 23.253 58.984 1.00 15.70 O ATOM 97 CB PHE A 264 3.958 25.238 61.642 1.00 13.54 C ATOM 98 CG PHE A 264 4.051 25.264 63.133 1.00 16.54 C ATOM 99 CD1 PHE A 264 5.156 25.812 63.762 1.00 16.13 C ATOM 100 CD2 PHE A 264 3.034 24.750 63.913 1.00 19.82 C ATOM 101 CE1 PHE A 264 5.249 25.834 65.139 1.00 17.81 C ATOM 102 CE2 PHE A 264 3.118 24.784 65.276 1.00 21.89 C ATOM 103 CZ PHE A 264 4.227 25.321 65.893 1.00 21.38 C ATOM 104 H PHE A 264 6.521 24.860 61.497 1.00 0.00 H ATOM 105 N CYS A 265 5.021 24.934 58.781 1.00 11.04 N ATOM 106 CA CYS A 265 4.722 25.132 57.374 1.00 10.86 C ATOM 107 C CYS A 265 5.845 24.684 56.454 1.00 10.62 C ATOM 108 O CYS A 265 5.661 24.723 55.240 1.00 11.73 O ATOM 109 CB CYS A 265 4.395 26.608 57.095 1.00 9.90 C ATOM 110 SG CYS A 265 5.818 27.696 57.160 1.00 9.51 S ATOM 111 H CYS A 265 5.767 25.501 59.232 1.00 0.00 H ATOM 112 N LEU A 266 7.006 24.322 56.996 1.00 10.13 N ATOM 113 CA LEU A 266 8.166 23.844 56.257 1.00 11.18 C ATOM 114 C LEU A 266 8.871 24.934 55.472 1.00 12.05 C ATOM 115 O LEU A 266 9.812 24.628 54.735 1.00 14.19 O ATOM 116 CB LEU A 266 7.851 22.667 55.340 1.00 13.37 C ATOM 117 CG LEU A 266 7.248 21.495 56.105 1.00 15.27 C ATOM 118 CD1 LEU A 266 7.088 20.371 55.121 1.00 18.89 C ATOM 119 CD2 LEU A 266 8.088 21.031 57.307 1.00 15.23 C ATOM 120 H LEU A 266 7.091 24.386 58.031 1.00 0.00 H ATOM 121 N GLY A 267 8.452 26.185 55.593 1.00 10.34 N ATOM 122 CA GLY A 267 9.137 27.250 54.917 1.00 11.04 C ATOM 123 C GLY A 267 10.346 27.724 55.691 1.00 10.11 C ATOM 124 O GLY A 267 10.422 27.614 56.910 1.00 10.51 O ATOM 125 H GLY A 267 7.621 26.397 56.182 1.00 0.00 H ATOM 126 N GLY A 268 11.299 28.261 54.957 1.00 10.99 N ATOM 127 CA GLY A 268 12.414 28.946 55.560 1.00 10.66 C ATOM 128 C GLY A 268 12.046 30.352 55.952 1.00 10.68 C ATOM 129 O GLY A 268 10.897 30.782 55.865 1.00 10.09 O ATOM 130 H GLY A 268 11.245 28.189 53.921 1.00 0.00 H ATOM 131 N SER A 269 13.050 31.083 56.407 1.00 11.16 N ATOM 132 CA SER A 269 12.833 32.481 56.741 1.00 12.32 C ATOM 133 C SER A 269 12.488 33.307 55.516 1.00 12.37 C ATOM 134 O SER A 269 11.904 34.385 55.638 1.00 13.26 O ATOM 135 CB SER A 269 14.085 33.059 57.392 1.00 13.98 C ATOM 136 OG SER A 269 15.214 32.885 56.543 1.00 18.80 O ATOM 137 HG SER A 269 15.354 31.919 56.376 1.00 0.00 H ATOM 138 H SER A 269 13.992 30.659 56.525 1.00 0.00 H ATOM 139 N ASN A 270 12.838 32.842 54.329 1.00 11.95 N ATOM 140 CA ASN A 270 12.537 33.633 53.151 1.00 13.66 C ATOM 141 C ASN A 270 11.071 33.562 52.765 1.00 12.38 C ATOM 142 O ASN A 270 10.620 34.422 52.013 1.00 13.97 O ATOM 143 CB ASN A 270 13.378 33.176 51.968 1.00 15.79 C ATOM 144 CG ASN A 270 13.002 31.820 51.526 1.00 16.08 C ATOM 145 OD1 ASN A 270 12.954 30.897 52.330 1.00 17.19 O ATOM 146 ND2 ASN A 270 12.676 31.681 50.253 1.00 17.44 N ATOM 147 HD22 ASN A 270 12.734 32.496 49.609 1.00 0.00 H ATOM 148 HD21 ASN A 270 12.362 30.757 49.895 1.00 0.00 H ATOM 149 H ASN A 270 13.321 31.925 54.241 1.00 0.00 H ATOM 150 N MET A 271 10.316 32.572 53.249 1.00 12.27 N ATOM 151 CA MET A 271 8.922 32.436 52.830 1.00 12.46 C ATOM 152 C MET A 271 8.167 31.555 53.808 1.00 10.47 C ATOM 153 O MET A 271 8.346 30.334 53.817 1.00 12.45 O ATOM 154 CB MET A 271 8.820 31.868 51.428 1.00 14.80 C ATOM 155 CG MET A 271 7.387 31.797 50.936 1.00 17.92 C ATOM 156 SD MET A 271 6.554 33.398 50.967 1.00 21.39 S ATOM 157 CE MET A 271 7.642 34.366 49.913 1.00 23.79 C ATOM 158 H MET A 271 10.721 31.895 53.927 1.00 0.00 H ATOM 159 N ASN A 272 7.307 32.167 54.585 1.00 9.60 N ATOM 160 CA ASN A 272 6.351 31.422 55.379 1.00 9.39 C ATOM 161 C ASN A 272 5.276 30.897 54.431 1.00 9.49 C ATOM 162 O ASN A 272 4.624 31.668 53.724 1.00 10.46 O ATOM 163 CB ASN A 272 5.781 32.379 56.431 1.00 9.83 C ATOM 164 CG ASN A 272 4.717 31.761 57.294 1.00 10.20 C ATOM 165 OD1 ASN A 272 3.943 30.928 56.839 1.00 11.23 O ATOM 166 ND2 ASN A 272 4.639 32.208 58.537 1.00 10.59 N ATOM 167 HD22 ASN A 272 5.320 32.916 58.879 1.00 0.00 H ATOM 168 HD21 ASN A 272 3.897 31.851 59.172 1.00 0.00 H ATOM 169 H ASN A 272 7.311 33.206 54.632 1.00 0.00 H ATOM 170 N LYS A 273 5.102 29.586 54.389 1.00 9.32 N ATOM 171 CA LYS A 273 4.195 29.012 53.407 1.00 10.74 C ATOM 172 C LYS A 273 2.742 29.178 53.797 1.00 11.88 C ATOM 173 O LYS A 273 1.869 29.046 52.938 1.00 15.30 O ATOM 174 CB LYS A 273 4.517 27.544 53.154 1.00 13.12 C ATOM 175 CG LYS A 273 5.874 27.351 52.561 1.00 14.38 C ATOM 176 CD LYS A 273 6.033 25.947 52.017 1.00 20.22 C ATOM 177 CE LYS A 273 7.433 25.717 51.432 1.00 23.68 C ATOM 178 NZ LYS A 273 7.765 26.649 50.318 1.00 26.95 N ATOM 179 HZ1 LYS A 273 7.078 26.525 49.547 1.00 0.00 H ATOM 180 HZ2 LYS A 273 7.726 27.629 50.664 1.00 0.00 H ATOM 181 HZ3 LYS A 273 8.722 26.442 49.968 1.00 0.00 H ATOM 182 H LYS A 273 5.611 28.969 55.054 1.00 0.00 H ATOM 183 N LYS A 274 2.472 29.464 55.067 1.00 11.80 N ATOM 184 CA LYS A 274 1.112 29.727 55.493 1.00 12.98 C ATOM 185 C LYS A 274 0.706 31.142 55.132 1.00 13.10 C ATOM 186 O LYS A 274 -0.395 31.370 54.632 1.00 14.24 O ATOM 187 CB LYS A 274 1.008 29.511 56.999 1.00 15.01 C ATOM 188 CG LYS A 274 -0.360 29.791 57.620 1.00 17.82 C ATOM 189 CD LYS A 274 -0.291 29.575 59.139 1.00 24.01 C ATOM 190 CE LYS A 274 -1.648 29.420 59.813 1.00 27.36 C ATOM 191 NZ LYS A 274 -1.481 28.786 61.151 1.00 30.34 N ATOM 192 HZ1 LYS A 274 -1.045 27.849 61.037 1.00 0.00 H ATOM 193 HZ2 LYS A 274 -0.870 29.384 61.743 1.00 0.00 H ATOM 194 HZ3 LYS A 274 -2.412 28.684 61.604 1.00 0.00 H ATOM 195 H LYS A 274 3.245 29.499 55.762 1.00 0.00 H ATOM 196 N SER A 275 1.588 32.102 55.346 1.00 12.41 N ATOM 197 CA SER A 275 1.238 33.486 55.081 1.00 12.76 C ATOM 198 C SER A 275 1.631 33.947 53.694 1.00 14.07 C ATOM 199 O SER A 275 1.099 34.951 53.223 1.00 14.56 O ATOM 200 CB SER A 275 1.925 34.390 56.096 1.00 13.92 C ATOM 201 OG SER A 275 3.317 34.365 55.870 1.00 11.95 O ATOM 202 HG SER A 275 3.768 34.952 56.528 1.00 0.00 H ATOM 203 H SER A 275 2.535 31.866 55.705 1.00 0.00 H ATOM 204 N GLY A 276 2.552 33.254 53.036 1.00 11.59 N ATOM 205 CA GLY A 276 3.045 33.717 51.761 1.00 12.78 C ATOM 206 C GLY A 276 3.927 34.939 51.851 1.00 12.83 C ATOM 207 O GLY A 276 4.111 35.628 50.850 1.00 14.35 O ATOM 208 H GLY A 276 2.921 32.371 53.442 1.00 0.00 H ATOM 209 N ARG A 277 4.502 35.202 53.013 1.00 11.44 N ATOM 210 CA ARG A 277 5.385 36.329 53.240 1.00 11.33 C ATOM 211 C ARG A 277 6.694 35.832 53.833 1.00 11.37 C ATOM 212 O ARG A 277 6.693 34.870 54.609 1.00 10.56 O ATOM 213 CB ARG A 277 4.761 37.304 54.251 1.00 14.03 C ATOM 214 CG ARG A 277 3.409 37.798 53.824 1.00 15.54 C ATOM 215 CD ARG A 277 2.673 38.420 54.972 1.00 16.89 C ATOM 216 NE ARG A 277 3.303 39.669 55.387 1.00 18.04 N ATOM 217 CZ ARG A 277 3.122 40.839 54.777 1.00 17.30 C ATOM 218 NH1 ARG A 277 2.351 40.938 53.713 1.00 16.89 N ATOM 219 NH2 ARG A 277 3.729 41.908 55.218 1.00 20.69 N ATOM 220 HE ARG A 277 3.935 39.644 56.213 1.00 0.00 H ATOM 221 HH12 ARG A 277 2.221 41.860 53.249 1.00 0.00 H ATOM 222 HH11 ARG A 277 1.873 40.094 53.337 1.00 0.00 H ATOM 223 HH22 ARG A 277 3.587 42.821 54.741 1.00 0.00 H ATOM 224 HH21 ARG A 277 4.355 41.846 56.046 1.00 0.00 H ATOM 225 H ARG A 277 4.309 34.563 53.810 1.00 0.00 H ATOM 226 N PRO A 278 7.812 36.505 53.553 1.00 10.68 N ATOM 227 CA PRO A 278 9.035 36.217 54.299 1.00 10.54 C ATOM 228 C PRO A 278 8.780 36.473 55.772 1.00 10.39 C ATOM 229 O PRO A 278 8.043 37.389 56.146 1.00 11.25 O ATOM 230 CB PRO A 278 10.046 37.215 53.733 1.00 11.96 C ATOM 231 CG PRO A 278 9.480 37.652 52.436 1.00 13.77 C ATOM 232 CD PRO A 278 7.994 37.618 52.608 1.00 12.97 C ATOM 233 N GLU A 279 9.388 35.659 56.616 1.00 10.39 N ATOM 234 CA GLU A 279 9.244 35.835 58.049 1.00 10.63 C ATOM 235 C GLU A 279 10.399 35.119 58.707 1.00 11.03 C ATOM 236 O GLU A 279 10.682 33.974 58.383 1.00 12.02 O ATOM 237 CB GLU A 279 7.926 35.249 58.548 1.00 10.21 C ATOM 238 CG GLU A 279 7.718 35.507 60.016 1.00 12.55 C ATOM 239 CD GLU A 279 6.405 35.011 60.565 1.00 12.09 C ATOM 240 OE1 GLU A 279 5.532 34.551 59.787 1.00 11.25 O ATOM 241 OE2 GLU A 279 6.263 35.064 61.801 1.00 13.27 O ATOM 242 H GLU A 279 9.976 34.884 56.249 1.00 0.00 H ATOM 243 N GLU A 280 11.035 35.776 59.655 1.00 10.46 N ATOM 244 CA GLU A 280 12.140 35.163 60.351 1.00 11.46 C ATOM 245 C GLU A 280 11.658 33.922 61.086 1.00 12.39 C ATOM 246 O GLU A 280 10.477 33.747 61.369 1.00 16.58 O ATOM 247 CB GLU A 280 12.741 36.176 61.314 1.00 14.40 C ATOM 248 CG GLU A 280 12.001 36.283 62.631 1.00 20.98 C ATOM 249 CD GLU A 280 10.566 36.704 62.488 1.00 24.70 C ATOM 250 OE1 GLU A 280 9.925 36.272 61.515 1.00 28.69 O ATOM 251 OE2 GLU A 280 10.074 37.465 63.337 1.00 24.54 O ATOM 252 H GLU A 280 10.739 36.742 59.903 1.00 0.00 H ATOM 253 N LEU A 281 12.573 33.017 61.338 1.00 10.49 N ATOM 254 CA LEU A 281 12.310 31.879 62.195 1.00 9.76 C ATOM 255 C LEU A 281 12.801 32.171 63.598 1.00 9.49 C ATOM 256 O LEU A 281 13.791 32.877 63.788 1.00 12.25 O ATOM 257 CB LEU A 281 13.056 30.662 61.672 1.00 9.58 C ATOM 258 CG LEU A 281 12.567 30.139 60.335 1.00 10.19 C ATOM 259 CD1 LEU A 281 13.573 29.172 59.799 1.00 12.25 C ATOM 260 CD2 LEU A 281 11.204 29.488 60.466 1.00 10.63 C ATOM 261 H LEU A 281 13.515 33.119 60.910 1.00 0.00 H ATOM 262 N VAL A 282 12.095 31.635 64.576 1.00 9.11 N ATOM 263 CA VAL A 282 12.621 31.545 65.921 1.00 9.61 C ATOM 264 C VAL A 282 12.941 30.082 66.164 1.00 10.04 C ATOM 265 O VAL A 282 12.279 29.197 65.628 1.00 11.53 O ATOM 266 CB VAL A 282 11.690 32.118 66.998 1.00 12.17 C ATOM 267 CG1 VAL A 282 11.476 33.586 66.782 1.00 13.25 C ATOM 268 CG2 VAL A 282 10.405 31.381 67.065 1.00 16.55 C ATOM 269 H VAL A 282 11.142 31.270 64.376 1.00 0.00 H ATOM 270 N SER A 283 13.978 29.830 66.939 1.00 9.34 N ATOM 271 CA SER A 283 14.508 28.490 67.075 1.00 8.95 C ATOM 272 C SER A 283 14.753 28.196 68.533 1.00 8.48 C ATOM 273 O SER A 283 15.250 29.050 69.267 1.00 10.06 O ATOM 274 CB SER A 283 15.830 28.349 66.312 1.00 11.18 C ATOM 275 OG SER A 283 15.728 28.778 64.969 1.00 14.49 O ATOM 276 HG SER A 283 15.046 28.234 64.501 1.00 0.00 H ATOM 277 H SER A 283 14.424 30.610 67.463 1.00 0.00 H ATOM 278 N CYS A 284 14.437 26.969 68.923 1.00 8.20 N ATOM 279 CA CYS A 284 14.608 26.539 70.290 1.00 8.59 C ATOM 280 C CYS A 284 16.087 26.478 70.628 1.00 9.59 C ATOM 281 O CYS A 284 16.886 25.868 69.905 1.00 11.04 O ATOM 282 CB CYS A 284 14.009 25.156 70.429 1.00 9.16 C ATOM 283 SG CYS A 284 14.229 24.466 72.086 1.00 9.94 S ATOM 284 H CYS A 284 14.056 26.299 68.225 1.00 0.00 H ATOM 285 N ALA A 285 16.429 27.056 71.770 1.00 9.37 N ATOM 286 CA ALA A 285 17.804 27.122 72.222 1.00 10.31 C ATOM 287 C ALA A 285 18.362 25.757 72.556 1.00 11.77 C ATOM 288 O ALA A 285 19.582 25.587 72.536 1.00 13.32 O ATOM 289 CB ALA A 285 17.899 28.033 73.441 1.00 10.86 C ATOM 290 H ALA A 285 15.685 27.477 72.362 1.00 0.00 H ATOM 291 N ASP A 286 17.505 24.794 72.856 1.00 11.20 N ATOM 292 CA ASP A 286 17.938 23.486 73.308 1.00 12.47 C ATOM 293 C ASP A 286 17.933 22.440 72.212 1.00 12.91 C ATOM 294 O ASP A 286 18.853 21.633 72.156 1.00 15.10 O ATOM 295 CB ASP A 286 17.071 22.998 74.464 1.00 14.74 C ATOM 296 CG ASP A 286 17.302 23.779 75.722 1.00 19.06 C ATOM 297 OD1 ASP A 286 18.302 24.517 75.783 1.00 22.58 O ATOM 298 OD2 ASP A 286 16.491 23.641 76.648 1.00 21.66 O ATOM 299 H ASP A 286 16.486 24.982 72.764 1.00 0.00 H ATOM 300 N CYS A 287 16.925 22.411 71.337 1.00 12.03 N ATOM 301 CA CYS A 287 16.838 21.356 70.338 1.00 13.74 C ATOM 302 C CYS A 287 16.957 21.852 68.913 1.00 13.44 C ATOM 303 O CYS A 287 17.057 21.025 68.006 1.00 13.73 O ATOM 304 CB CYS A 287 15.538 20.554 70.483 1.00 13.94 C ATOM 305 SG CYS A 287 14.063 21.410 69.897 1.00 12.54 S ATOM 306 H CYS A 287 16.194 23.150 71.370 1.00 0.00 H ATOM 307 N GLY A 288 16.908 23.163 68.687 1.00 10.76 N ATOM 308 CA GLY A 288 17.073 23.706 67.356 1.00 12.14 C ATOM 309 C GLY A 288 15.840 23.697 66.484 1.00 10.56 C ATOM 310 O GLY A 288 15.902 24.225 65.374 1.00 11.75 O ATOM 311 H GLY A 288 16.748 23.811 69.484 1.00 0.00 H ATOM 312 N ARG A 289 14.719 23.140 66.935 1.00 10.63 N ATOM 313 CA ARG A 289 13.514 23.211 66.127 1.00 11.12 C ATOM 314 C ARG A 289 13.127 24.666 65.936 1.00 9.16 C ATOM 315 O ARG A 289 13.287 25.496 66.839 1.00 9.92 O ATOM 316 CB ARG A 289 12.372 22.506 66.840 1.00 14.26 C ATOM 317 CG ARG A 289 12.452 21.025 66.878 1.00 18.34 C ATOM 318 CD ARG A 289 11.352 20.548 67.817 1.00 22.38 C ATOM 319 NE ARG A 289 11.133 19.112 67.777 1.00 26.26 N ATOM 320 CZ ARG A 289 10.288 18.506 66.947 1.00 28.03 C ATOM 321 NH1 ARG A 289 9.583 19.212 66.071 1.00 28.26 N ATOM 322 NH2 ARG A 289 10.150 17.188 66.989 1.00 29.53 N ATOM 323 HE ARG A 289 11.672 18.519 68.440 1.00 0.00 H ATOM 324 HH12 ARG A 289 8.924 18.731 65.425 1.00 0.00 H ATOM 325 HH11 ARG A 289 9.689 20.246 66.030 1.00 0.00 H ATOM 326 HH22 ARG A 289 9.490 16.713 66.341 1.00 0.00 H ATOM 327 HH21 ARG A 289 10.702 16.629 67.670 1.00 0.00 H ATOM 328 H ARG A 289 14.706 22.659 67.857 1.00 0.00 H ATOM 329 N SER A 290 12.620 24.977 64.756 1.00 9.50 N ATOM 330 CA SER A 290 12.306 26.344 64.399 1.00 9.16 C ATOM 331 C SER A 290 10.852 26.489 63.994 1.00 8.86 C ATOM 332 O SER A 290 10.189 25.538 63.577 1.00 9.62 O ATOM 333 CB SER A 290 13.186 26.814 63.255 1.00 9.55 C ATOM 334 OG SER A 290 14.531 26.776 63.672 1.00 10.33 O ATOM 335 HG SER A 290 15.113 27.081 62.932 1.00 0.00 H ATOM 336 H SER A 290 12.442 24.220 64.066 1.00 0.00 H ATOM 337 N GLY A 291 10.365 27.704 64.144 1.00 8.75 N ATOM 338 CA GLY A 291 9.025 28.036 63.696 1.00 9.53 C ATOM 339 C GLY A 291 8.954 29.498 63.331 1.00 9.53 C ATOM 340 O GLY A 291 9.651 30.328 63.908 1.00 9.65 O ATOM 341 H GLY A 291 10.951 28.438 64.591 1.00 0.00 H ATOM 342 N HIS A 292 8.116 29.822 62.363 1.00 8.96 N ATOM 343 CA HIS A 292 7.776 31.217 62.186 1.00 8.94 C ATOM 344 C HIS A 292 6.930 31.658 63.370 1.00 9.31 C ATOM 345 O HIS A 292 6.004 30.946 63.755 1.00 10.23 O ATOM 346 CB HIS A 292 6.950 31.419 60.932 1.00 9.47 C ATOM 347 CG HIS A 292 7.671 31.059 59.688 1.00 9.00 C ATOM 348 ND1 HIS A 292 7.349 29.954 58.942 1.00 9.31 N ATOM 349 CD2 HIS A 292 8.738 31.632 59.090 1.00 8.88 C ATOM 350 CE1 HIS A 292 8.178 29.880 57.915 1.00 8.49 C ATOM 351 NE2 HIS A 292 9.021 30.894 57.977 1.00 9.47 N ATOM 352 H HIS A 292 7.710 29.092 61.743 1.00 0.00 H ATOM 353 N PRO A 293 7.186 32.837 63.926 1.00 10.15 N ATOM 354 CA PRO A 293 6.315 33.335 64.993 1.00 10.62 C ATOM 355 C PRO A 293 4.831 33.271 64.683 1.00 10.78 C ATOM 356 O PRO A 293 4.048 32.887 65.563 1.00 10.86 O ATOM 357 CB PRO A 293 6.827 34.759 65.186 1.00 11.20 C ATOM 358 CG PRO A 293 8.298 34.651 64.894 1.00 11.25 C ATOM 359 CD PRO A 293 8.380 33.675 63.748 1.00 11.61 C ATOM 360 N THR A 294 4.401 33.629 63.473 1.00 10.46 N ATOM 361 CA THR A 294 2.977 33.535 63.209 1.00 10.37 C ATOM 362 C THR A 294 2.513 32.086 63.182 1.00 11.93 C ATOM 363 O THR A 294 1.384 31.797 63.580 1.00 12.89 O ATOM 364 CB THR A 294 2.586 34.249 61.923 1.00 11.75 C ATOM 365 OG1 THR A 294 3.248 33.618 60.829 1.00 12.25 O ATOM 366 CG2 THR A 294 2.921 35.734 61.968 1.00 13.50 C ATOM 367 HG1 THR A 294 4.228 33.674 60.961 1.00 0.00 H ATOM 368 H THR A 294 5.063 33.964 62.744 1.00 0.00 H ATOM 369 N CYS A 295 3.355 31.164 62.731 1.00 10.33 N ATOM 370 CA CYS A 295 2.987 29.753 62.789 1.00 10.58 C ATOM 371 C CYS A 295 2.913 29.263 64.225 1.00 10.41 C ATOM 372 O CYS A 295 2.110 28.381 64.528 1.00 11.82 O ATOM 373 CB CYS A 295 3.963 28.910 61.975 1.00 10.52 C ATOM 374 SG CYS A 295 3.893 29.261 60.213 1.00 9.88 S ATOM 375 H CYS A 295 4.275 31.447 62.337 1.00 0.00 H ATOM 376 N LEU A 296 3.736 29.823 65.108 1.00 10.53 N ATOM 377 CA LEU A 296 3.698 29.558 66.534 1.00 11.14 C ATOM 378 C LEU A 296 2.568 30.304 67.216 1.00 11.54 C ATOM 379 O LEU A 296 2.353 30.106 68.408 1.00 13.03 O ATOM 380 CB LEU A 296 5.037 29.972 67.151 1.00 11.98 C ATOM 381 CG LEU A 296 6.185 29.021 66.838 1.00 11.57 C ATOM 382 CD1 LEU A 296 7.499 29.727 66.944 1.00 13.24 C ATOM 383 CD2 LEU A 296 6.146 27.890 67.815 1.00 13.22 C ATOM 384 H LEU A 296 4.450 30.491 64.754 1.00 0.00 H ATOM 385 N GLN A 297 1.849 31.144 66.476 1.00 10.93 N ATOM 386 CA GLN A 297 0.703 31.883 66.981 1.00 11.84 C ATOM 387 C GLN A 297 1.099 32.918 68.018 1.00 12.87 C ATOM 388 O GLN A 297 0.321 33.249 68.905 1.00 14.34 O ATOM 389 CB GLN A 297 -0.400 30.954 67.485 1.00 15.44 C ATOM 390 CG GLN A 297 -0.940 30.071 66.368 1.00 17.88 C ATOM 391 CD GLN A 297 -2.111 29.228 66.791 1.00 24.19 C ATOM 392 OE1 GLN A 297 -2.444 29.160 67.968 1.00 26.66 O ATOM 393 NE2 GLN A 297 -2.742 28.571 65.827 1.00 28.25 N ATOM 394 HE22 GLN A 297 -2.422 28.660 64.841 1.00 0.00 H ATOM 395 HE21 GLN A 297 -3.557 27.967 66.057 1.00 0.00 H ATOM 396 H GLN A 297 2.122 31.280 65.482 1.00 0.00 H ATOM 397 N PHE A 298 2.302 33.451 67.897 1.00 10.76 N ATOM 398 CA PHE A 298 2.763 34.487 68.801 1.00 10.76 C ATOM 399 C PHE A 298 2.281 35.854 68.349 1.00 10.31 C ATOM 400 O PHE A 298 2.222 36.142 67.159 1.00 11.54 O ATOM 401 CB PHE A 298 4.286 34.530 68.780 1.00 10.49 C ATOM 402 CG PHE A 298 4.958 33.359 69.452 1.00 11.48 C ATOM 403 CD1 PHE A 298 4.273 32.468 70.262 1.00 12.46 C ATOM 404 CD2 PHE A 298 6.317 33.193 69.306 1.00 13.72 C ATOM 405 CE1 PHE A 298 4.945 31.426 70.891 1.00 15.77 C ATOM 406 CE2 PHE A 298 6.984 32.153 69.931 1.00 14.38 C ATOM 407 CZ PHE A 298 6.295 31.289 70.732 1.00 15.78 C ATOM 408 H PHE A 298 2.931 33.121 67.138 1.00 0.00 H ATOM 409 N THR A 299 1.975 36.708 69.317 1.00 9.33 N ATOM 410 CA THR A 299 1.790 38.116 69.019 1.00 9.37 C ATOM 411 C THR A 299 3.120 38.724 68.585 1.00 9.86 C ATOM 412 O THR A 299 4.185 38.125 68.707 1.00 9.41 O ATOM 413 CB THR A 299 1.321 38.875 70.252 1.00 10.06 C ATOM 414 OG1 THR A 299 2.358 38.785 71.233 1.00 10.20 O ATOM 415 CG2 THR A 299 0.031 38.326 70.798 1.00 10.25 C ATOM 416 HG1 THR A 299 2.081 39.271 72.050 1.00 0.00 H ATOM 417 H THR A 299 1.867 36.367 70.294 1.00 0.00 H ATOM 418 N LEU A 300 3.044 39.951 68.096 1.00 9.81 N ATOM 419 CA LEU A 300 4.254 40.637 67.679 1.00 9.74 C ATOM 420 C LEU A 300 5.122 40.972 68.868 1.00 9.40 C ATOM 421 O LEU A 300 6.348 40.865 68.806 1.00 9.73 O ATOM 422 CB LEU A 300 3.885 41.897 66.915 1.00 9.83 C ATOM 423 CG LEU A 300 3.186 41.603 65.592 1.00 12.07 C ATOM 424 CD1 LEU A 300 2.492 42.861 65.091 1.00 11.49 C ATOM 425 CD2 LEU A 300 4.167 41.121 64.565 1.00 16.61 C ATOM 426 H LEU A 300 2.121 40.422 68.011 1.00 0.00 H ATOM 427 N ASN A 301 4.518 41.351 69.979 1.00 9.71 N ATOM 428 CA ASN A 301 5.335 41.645 71.149 1.00 10.35 C ATOM 429 C ASN A 301 5.962 40.378 71.716 1.00 9.60 C ATOM 430 O ASN A 301 7.109 40.399 72.160 1.00 9.57 O ATOM 431 CB ASN A 301 4.524 42.416 72.193 1.00 13.50 C ATOM 432 CG ASN A 301 4.535 43.923 71.944 1.00 17.62 C ATOM 433 OD1 ASN A 301 3.487 44.555 71.804 1.00 19.29 O ATOM 434 ND2 ASN A 301 5.726 44.502 71.899 1.00 19.91 N ATOM 435 HD22 ASN A 301 6.587 43.931 72.022 1.00 0.00 H ATOM 436 HD21 ASN A 301 5.800 45.527 71.741 1.00 0.00 H ATOM 437 H ASN A 301 3.482 41.438 70.018 1.00 0.00 H ATOM 438 N MET A 302 5.235 39.266 71.710 1.00 9.42 N ATOM 439 CA MET A 302 5.845 38.006 72.124 1.00 9.34 C ATOM 440 C MET A 302 6.983 37.626 71.193 1.00 8.80 C ATOM 441 O MET A 302 8.014 37.133 71.640 1.00 10.12 O ATOM 442 CB MET A 302 4.831 36.875 72.186 1.00 10.19 C ATOM 443 CG MET A 302 5.499 35.566 72.591 1.00 10.71 C ATOM 444 SD MET A 302 4.392 34.264 73.125 1.00 10.37 S ATOM 445 CE MET A 302 3.779 34.993 74.634 1.00 12.79 C ATOM 446 H MET A 302 4.239 39.293 71.413 1.00 0.00 H ATOM 447 N THR A 303 6.807 37.859 69.904 1.00 9.96 N ATOM 448 CA THR A 303 7.849 37.588 68.931 1.00 9.27 C ATOM 449 C THR A 303 9.124 38.318 69.300 1.00 10.45 C ATOM 450 O THR A 303 10.214 37.745 69.280 1.00 11.69 O ATOM 451 CB THR A 303 7.362 37.992 67.542 1.00 10.75 C ATOM 452 OG1 THR A 303 6.239 37.185 67.195 1.00 11.84 O ATOM 453 CG2 THR A 303 8.448 37.804 66.487 1.00 12.46 C ATOM 454 HG1 THR A 303 5.517 37.324 67.858 1.00 0.00 H ATOM 455 H THR A 303 5.898 38.247 69.579 1.00 0.00 H ATOM 456 N GLU A 304 9.012 39.591 69.642 1.00 10.07 N ATOM 457 CA GLU A 304 10.202 40.330 70.024 1.00 10.10 C ATOM 458 C GLU A 304 10.790 39.790 71.302 1.00 9.91 C ATOM 459 O GLU A 304 12.013 39.659 71.420 1.00 11.93 O ATOM 460 CB GLU A 304 9.852 41.805 70.154 1.00 12.07 C ATOM 461 CG GLU A 304 9.559 42.396 68.799 1.00 18.85 C ATOM 462 CD GLU A 304 10.666 42.059 67.782 1.00 24.87 C ATOM 463 OE1 GLU A 304 11.819 42.480 68.014 1.00 29.21 O ATOM 464 OE2 GLU A 304 10.406 41.330 66.795 1.00 27.39 O ATOM 465 H GLU A 304 8.082 40.057 69.637 1.00 0.00 H ATOM 466 N ALA A 305 9.938 39.456 72.260 1.00 9.81 N ATOM 467 CA ALA A 305 10.432 38.982 73.538 1.00 9.72 C ATOM 468 C ALA A 305 11.209 37.684 73.402 1.00 9.23 C ATOM 469 O ALA A 305 12.253 37.519 74.029 1.00 9.69 O ATOM 470 CB ALA A 305 9.263 38.808 74.501 1.00 11.38 C ATOM 471 H ALA A 305 8.914 39.534 72.095 1.00 0.00 H ATOM 472 N VAL A 306 10.716 36.740 72.607 1.00 9.13 N ATOM 473 CA VAL A 306 11.366 35.442 72.558 1.00 9.21 C ATOM 474 C VAL A 306 12.730 35.518 71.900 1.00 9.56 C ATOM 475 O VAL A 306 13.547 34.618 72.092 1.00 10.42 O ATOM 476 CB VAL A 306 10.486 34.358 71.908 1.00 9.78 C ATOM 477 CG1 VAL A 306 9.177 34.191 72.650 1.00 10.48 C ATOM 478 CG2 VAL A 306 10.282 34.644 70.443 1.00 11.08 C ATOM 479 H VAL A 306 9.874 36.929 72.026 1.00 0.00 H ATOM 480 N LYS A 307 13.004 36.573 71.151 1.00 10.56 N ATOM 481 CA LYS A 307 14.312 36.763 70.545 1.00 11.42 C ATOM 482 C LYS A 307 15.324 37.356 71.497 1.00 13.07 C ATOM 483 O LYS A 307 16.488 37.497 71.106 1.00 14.41 O ATOM 484 CB LYS A 307 14.186 37.653 69.311 1.00 12.52 C ATOM 485 CG LYS A 307 13.335 37.025 68.239 1.00 12.40 C ATOM 486 CD LYS A 307 13.108 37.964 67.094 1.00 16.44 C ATOM 487 CE LYS A 307 12.169 37.362 66.061 1.00 17.42 C ATOM 488 NZ LYS A 307 11.818 38.339 65.020 1.00 20.42 N ATOM 489 HZ1 LYS A 307 11.347 39.156 65.458 1.00 0.00 H ATOM 490 HZ2 LYS A 307 12.683 38.654 64.536 1.00 0.00 H ATOM 491 HZ3 LYS A 307 11.177 37.895 64.332 1.00 0.00 H ATOM 492 H LYS A 307 12.264 37.286 70.991 1.00 0.00 H ATOM 493 N THR A 308 14.915 37.700 72.715 1.00 11.03 N ATOM 494 CA THR A 308 15.804 38.346 73.669 1.00 11.94 C ATOM 495 C THR A 308 16.370 37.392 74.702 1.00 11.99 C ATOM 496 O THR A 308 17.163 37.823 75.539 1.00 13.37 O ATOM 497 CB THR A 308 15.101 39.484 74.424 1.00 12.94 C ATOM 498 OG1 THR A 308 14.100 38.948 75.297 1.00 13.25 O ATOM 499 CG2 THR A 308 14.511 40.489 73.465 1.00 13.52 C ATOM 500 HG1 THR A 308 13.432 38.449 74.764 1.00 0.00 H ATOM 501 H THR A 308 13.933 37.502 72.993 1.00 0.00 H ATOM 502 N TYR A 309 15.948 36.138 74.705 1.00 10.29 N ATOM 503 CA TYR A 309 16.470 35.192 75.667 1.00 11.15 C ATOM 504 C TYR A 309 16.497 33.837 74.994 1.00 9.14 C ATOM 505 O TYR A 309 16.076 33.687 73.849 1.00 9.93 O ATOM 506 CB TYR A 309 15.654 35.212 76.963 1.00 11.55 C ATOM 507 CG TYR A 309 14.308 34.526 76.869 1.00 10.22 C ATOM 508 CD1 TYR A 309 13.195 35.197 76.384 1.00 10.04 C ATOM 509 CD2 TYR A 309 14.157 33.198 77.269 1.00 9.63 C ATOM 510 CE1 TYR A 309 11.976 34.585 76.306 1.00 9.50 C ATOM 511 CE2 TYR A 309 12.944 32.578 77.184 1.00 9.69 C ATOM 512 CZ TYR A 309 11.862 33.268 76.695 1.00 9.00 C ATOM 513 OH TYR A 309 10.653 32.628 76.610 1.00 9.30 O ATOM 514 HH TYR A 309 9.977 33.250 76.242 1.00 0.00 H ATOM 515 H TYR A 309 15.237 35.830 74.011 1.00 0.00 H ATOM 516 N LYS A 310 17.018 32.843 75.707 1.00 10.31 N ATOM 517 CA LYS A 310 17.140 31.491 75.170 1.00 9.99 C ATOM 518 C LYS A 310 15.785 30.792 75.227 1.00 9.87 C ATOM 519 O LYS A 310 15.533 29.880 76.019 1.00 10.62 O ATOM 520 CB LYS A 310 18.219 30.725 75.914 1.00 11.16 C ATOM 521 CG LYS A 310 19.582 31.326 75.758 1.00 15.33 C ATOM 522 CD LYS A 310 20.604 30.481 76.487 1.00 18.84 C ATOM 523 CE LYS A 310 21.963 31.144 76.549 1.00 21.98 C ATOM 524 NZ LYS A 310 22.986 30.284 77.204 1.00 25.25 N ATOM 525 HZ1 LYS A 310 22.687 30.072 78.177 1.00 0.00 H ATOM 526 HZ2 LYS A 310 23.085 29.397 76.670 1.00 0.00 H ATOM 527 HZ3 LYS A 310 23.898 30.784 77.221 1.00 0.00 H ATOM 528 H LYS A 310 17.348 33.034 76.675 1.00 0.00 H ATOM 529 N TRP A 311 14.905 31.223 74.330 1.00 8.71 N ATOM 530 CA TRP A 311 13.582 30.642 74.243 1.00 8.63 C ATOM 531 C TRP A 311 13.671 29.156 73.949 1.00 7.68 C ATOM 532 O TRP A 311 14.539 28.707 73.196 1.00 8.40 O ATOM 533 CB TRP A 311 12.832 31.363 73.134 1.00 8.56 C ATOM 534 CG TRP A 311 11.472 30.796 72.849 1.00 8.17 C ATOM 535 CD1 TRP A 311 10.330 31.034 73.521 1.00 8.48 C ATOM 536 CD2 TRP A 311 11.148 29.891 71.803 1.00 8.36 C ATOM 537 NE1 TRP A 311 9.289 30.330 72.958 1.00 8.55 N ATOM 538 CE2 TRP A 311 9.772 29.611 71.902 1.00 8.33 C ATOM 539 CE3 TRP A 311 11.887 29.274 70.803 1.00 10.15 C ATOM 540 CZ2 TRP A 311 9.126 28.756 71.029 1.00 9.58 C ATOM 541 CZ3 TRP A 311 11.245 28.424 69.940 1.00 11.63 C ATOM 542 CH2 TRP A 311 9.880 28.166 70.058 1.00 10.52 C ATOM 543 HE1 TRP A 311 8.301 30.344 73.282 1.00 0.00 H ATOM 544 H TRP A 311 15.171 31.990 73.680 1.00 0.00 H ATOM 545 N GLN A 312 12.746 28.412 74.538 1.00 8.20 N ATOM 546 CA GLN A 312 12.637 26.983 74.356 1.00 8.53 C ATOM 547 C GLN A 312 11.291 26.679 73.731 1.00 9.44 C ATOM 548 O GLN A 312 10.275 27.298 74.074 1.00 9.36 O ATOM 549 CB GLN A 312 12.669 26.263 75.695 1.00 9.15 C ATOM 550 CG GLN A 312 13.986 26.358 76.418 1.00 9.95 C ATOM 551 CD GLN A 312 13.844 25.883 77.837 1.00 11.03 C ATOM 552 OE1 GLN A 312 12.991 26.360 78.561 1.00 11.91 O ATOM 553 NE2 GLN A 312 14.649 24.909 78.234 1.00 13.66 N ATOM 554 HE22 GLN A 312 15.366 24.529 77.583 1.00 0.00 H ATOM 555 HE21 GLN A 312 14.564 24.524 79.197 1.00 0.00 H ATOM 556 H GLN A 312 12.062 28.882 75.165 1.00 0.00 H ATOM 557 N CYS A 313 11.279 25.668 72.880 1.00 9.33 N ATOM 558 CA CYS A 313 10.043 25.211 72.300 1.00 10.30 C ATOM 559 C CYS A 313 9.185 24.533 73.361 1.00 10.13 C ATOM 560 O CYS A 313 9.621 24.245 74.476 1.00 10.94 O ATOM 561 CB CYS A 313 10.326 24.246 71.161 1.00 11.09 C ATOM 562 SG CYS A 313 10.873 22.573 71.666 1.00 12.31 S ATOM 563 H CYS A 313 12.171 25.198 72.627 1.00 0.00 H ATOM 564 N ILE A 314 7.934 24.272 72.983 1.00 11.28 N ATOM 565 CA ILE A 314 6.982 23.676 73.907 1.00 12.73 C ATOM 566 C ILE A 314 7.538 22.400 74.528 1.00 13.38 C ATOM 567 O ILE A 314 7.367 22.148 75.722 1.00 13.44 O ATOM 568 CB ILE A 314 5.651 23.437 73.177 1.00 12.56 C ATOM 569 CG1 ILE A 314 4.643 22.788 74.106 1.00 14.43 C ATOM 570 CG2 ILE A 314 5.851 22.590 71.908 1.00 13.39 C ATOM 571 CD1 ILE A 314 3.252 22.965 73.618 1.00 15.84 C ATOM 572 H ILE A 314 7.634 24.498 72.013 1.00 0.00 H ATOM 573 N GLU A 315 8.186 21.560 73.726 1.00 13.61 N ATOM 574 CA GLU A 315 8.633 20.281 74.249 1.00 16.05 C ATOM 575 C GLU A 315 9.807 20.459 75.194 1.00 14.61 C ATOM 576 O GLU A 315 9.901 19.760 76.204 1.00 17.60 O ATOM 577 CB GLU A 315 8.986 19.351 73.097 1.00 18.31 C ATOM 578 CG GLU A 315 7.796 19.008 72.210 1.00 19.62 C ATOM 579 CD GLU A 315 6.648 18.374 72.980 1.00 22.67 C ATOM 580 OE1 GLU A 315 6.924 17.584 73.903 1.00 23.97 O ATOM 581 OE2 GLU A 315 5.475 18.686 72.680 1.00 24.09 O ATOM 582 H GLU A 315 8.371 21.816 72.735 1.00 0.00 H ATOM 583 N CYS A 316 10.724 21.372 74.885 1.00 13.50 N ATOM 584 CA CYS A 316 11.895 21.561 75.726 1.00 12.72 C ATOM 585 C CYS A 316 11.637 22.449 76.930 1.00 13.29 C ATOM 586 O CYS A 316 12.462 22.467 77.842 1.00 14.31 O ATOM 587 CB CYS A 316 13.022 22.190 74.915 1.00 12.57 C ATOM 588 SG CYS A 316 13.676 21.150 73.632 1.00 13.37 S ATOM 589 H CYS A 316 10.602 21.956 74.033 1.00 0.00 H ATOM 590 N LYS A 317 10.526 23.175 76.958 1.00 11.67 N ATOM 591 CA LYS A 317 10.334 24.208 77.962 1.00 12.01 C ATOM 592 C LYS A 317 10.567 23.650 79.345 1.00 13.25 C ATOM 593 O LYS A 317 9.975 22.642 79.736 1.00 15.06 O ATOM 594 CB LYS A 317 8.908 24.756 77.897 1.00 11.95 C ATOM 595 CG LYS A 317 8.721 26.064 78.630 1.00 14.12 C ATOM 596 CD LYS A 317 9.062 27.243 77.753 1.00 12.65 C ATOM 597 CE LYS A 317 8.009 27.481 76.698 1.00 12.44 C ATOM 598 NZ LYS A 317 8.501 28.490 75.763 1.00 10.15 N ATOM 599 HZ1 LYS A 317 8.692 29.374 76.277 1.00 0.00 H ATOM 600 HZ2 LYS A 317 9.377 28.150 75.318 1.00 0.00 H ATOM 601 HZ3 LYS A 317 7.783 28.662 75.031 1.00 0.00 H ATOM 602 H LYS A 317 9.783 23.002 76.252 1.00 0.00 H ATOM 603 N SER A 318 11.403 24.336 80.096 1.00 12.63 N ATOM 604 CA SER A 318 11.617 23.996 81.482 1.00 14.43 C ATOM 605 C SER A 318 11.310 25.209 82.335 1.00 13.37 C ATOM 606 O SER A 318 11.310 26.341 81.866 1.00 16.13 O ATOM 607 CB SER A 318 13.044 23.505 81.697 1.00 16.63 C ATOM 608 OG SER A 318 13.970 24.447 81.220 1.00 18.70 O ATOM 609 HG SER A 318 13.849 25.302 81.704 1.00 0.00 H ATOM 610 H SER A 318 11.919 25.139 79.682 1.00 0.00 H ATOM 611 N CYS A 319 11.008 24.947 83.589 1.00 12.24 N ATOM 612 CA CYS A 319 10.618 26.007 84.489 1.00 12.82 C ATOM 613 C CYS A 319 11.805 26.903 84.792 1.00 14.47 C ATOM 614 O CYS A 319 12.885 26.428 85.152 1.00 14.88 O ATOM 615 CB CYS A 319 10.101 25.362 85.765 1.00 12.07 C ATOM 616 SG CYS A 319 9.684 26.501 87.082 1.00 12.63 S ATOM 617 H CYS A 319 11.051 23.967 83.935 1.00 0.00 H ATOM 618 N ILE A 320 11.584 28.210 84.671 1.00 13.80 N ATOM 619 CA ILE A 320 12.598 29.211 84.995 1.00 15.14 C ATOM 620 C ILE A 320 13.077 29.074 86.426 1.00 17.23 C ATOM 621 O ILE A 320 14.238 29.377 86.730 1.00 19.21 O ATOM 622 CB ILE A 320 11.994 30.615 84.768 1.00 17.34 C ATOM 623 CG1 ILE A 320 11.765 30.877 83.284 1.00 17.95 C ATOM 624 CG2 ILE A 320 12.873 31.702 85.381 1.00 18.44 C ATOM 625 CD1 ILE A 320 13.045 30.935 82.467 1.00 18.94 C ATOM 626 H ILE A 320 10.654 28.531 84.333 1.00 0.00 H ATOM 627 N LEU A 321 12.196 28.664 87.332 1.00 18.11 N ATOM 628 CA LEU A 321 12.481 28.717 88.757 1.00 19.63 C ATOM 629 C LEU A 321 13.172 27.460 89.263 1.00 21.62 C ATOM 630 O LEU A 321 14.112 27.558 90.053 1.00 24.15 O ATOM 631 CB LEU A 321 11.184 28.970 89.534 1.00 20.46 C ATOM 632 CG LEU A 321 10.502 30.306 89.216 1.00 20.76 C ATOM 633 CD1 LEU A 321 9.140 30.396 89.883 1.00 21.96 C ATOM 634 CD2 LEU A 321 11.381 31.468 89.655 1.00 23.30 C ATOM 635 H LEU A 321 11.277 28.295 87.013 1.00 0.00 H ATOM 636 N CYS A 322 12.731 26.278 88.853 1.00 20.00 N ATOM 637 CA CYS A 322 13.318 25.034 89.338 1.00 19.82 C ATOM 638 C CYS A 322 14.095 24.275 88.274 1.00 20.56 C ATOM 639 O CYS A 322 14.828 23.342 88.614 1.00 21.82 O ATOM 640 CB CYS A 322 12.236 24.116 89.908 1.00 19.78 C ATOM 641 SG CYS A 322 11.192 23.413 88.655 1.00 17.93 S ATOM 642 H CYS A 322 11.948 26.237 88.170 1.00 0.00 H ATOM 643 N GLY A 323 13.952 24.632 87.006 1.00 19.81 N ATOM 644 CA GLY A 323 14.721 24.015 85.956 1.00 19.59 C ATOM 645 C GLY A 323 14.185 22.704 85.425 1.00 19.42 C ATOM 646 O GLY A 323 14.729 22.195 84.436 1.00 20.26 O ATOM 647 H GLY A 323 13.267 25.376 86.763 1.00 0.00 H ATOM 648 N THR A 324 13.151 22.127 86.028 1.00 17.77 N ATOM 649 CA THR A 324 12.659 20.859 85.513 1.00 18.51 C ATOM 650 C THR A 324 11.646 21.069 84.395 1.00 17.58 C ATOM 651 O THR A 324 11.113 22.163 84.178 1.00 16.86 O ATOM 652 CB THR A 324 11.996 19.992 86.591 1.00 20.81 C ATOM 653 OG1 THR A 324 10.627 20.393 86.736 1.00 19.63 O ATOM 654 CG2 THR A 324 12.704 20.076 87.932 1.00 21.44 C ATOM 655 HG1 THR A 324 10.193 19.837 87.431 1.00 0.00 H ATOM 656 H THR A 324 12.702 22.574 86.853 1.00 0.00 H ATOM 657 N SER A 325 11.408 19.972 83.672 1.00 18.68 N ATOM 658 CA SER A 325 10.350 19.869 82.678 1.00 19.31 C ATOM 659 C SER A 325 9.284 18.874 83.120 1.00 18.81 C ATOM 660 O SER A 325 8.657 18.217 82.290 1.00 20.80 O ATOM 661 CB SER A 325 10.923 19.468 81.318 1.00 20.48 C ATOM 662 OG SER A 325 11.728 18.307 81.436 1.00 21.15 O ATOM 663 HG SER A 325 12.088 18.065 80.546 1.00 0.00 H ATOM 664 H SER A 325 12.015 19.142 83.828 1.00 0.00 H ATOM 665 N GLU A 326 9.083 18.745 84.429 1.00 18.90 N ATOM 666 CA GLU A 326 8.052 17.865 84.942 1.00 17.53 C ATOM 667 C GLU A 326 6.712 18.566 84.903 1.00 16.25 C ATOM 668 O GLU A 326 6.629 19.785 84.776 1.00 15.88 O ATOM 669 CB GLU A 326 8.333 17.510 86.397 1.00 19.64 C ATOM 670 CG GLU A 326 9.561 16.690 86.586 1.00 22.64 C ATOM 671 CD GLU A 326 9.455 15.346 85.914 1.00 27.32 C ATOM 672 OE1 GLU A 326 8.374 14.725 85.993 1.00 28.14 O ATOM 673 OE2 GLU A 326 10.445 14.938 85.281 1.00 31.10 O ATOM 674 H GLU A 326 9.674 19.284 85.094 1.00 0.00 H ATOM 675 N ASN A 327 5.648 17.777 85.017 1.00 16.07 N ATOM 676 CA ASN A 327 4.308 18.295 85.278 1.00 15.23 C ATOM 677 C ASN A 327 3.881 19.312 84.219 1.00 14.63 C ATOM 678 O ASN A 327 3.616 20.476 84.501 1.00 13.88 O ATOM 679 CB ASN A 327 4.215 18.870 86.688 1.00 16.81 C ATOM 680 CG ASN A 327 4.305 17.804 87.717 1.00 17.91 C ATOM 681 OD1 ASN A 327 3.607 16.796 87.616 1.00 20.84 O ATOM 682 ND2 ASN A 327 5.171 17.987 88.700 1.00 19.19 N ATOM 683 HD22 ASN A 327 5.737 18.859 88.739 1.00 0.00 H ATOM 684 HD21 ASN A 327 5.286 17.259 89.434 1.00 0.00 H ATOM 685 H ASN A 327 5.775 16.750 84.916 1.00 0.00 H ATOM 686 N ASP A 328 3.768 18.804 82.992 1.00 15.23 N ATOM 687 CA ASP A 328 3.366 19.636 81.866 1.00 15.33 C ATOM 688 C ASP A 328 2.064 20.359 82.149 1.00 14.67 C ATOM 689 O ASP A 328 1.860 21.487 81.687 1.00 14.40 O ATOM 690 CB ASP A 328 3.142 18.778 80.630 1.00 16.38 C ATOM 691 CG ASP A 328 4.381 18.035 80.175 1.00 17.33 C ATOM 692 OD1 ASP A 328 5.498 18.315 80.660 1.00 16.97 O ATOM 693 OD2 ASP A 328 4.216 17.178 79.284 1.00 18.79 O ATOM 694 H ASP A 328 3.970 17.796 82.836 1.00 0.00 H ATOM 695 N ASP A 329 1.147 19.699 82.866 1.00 15.65 N ATOM 696 CA ASP A 329 -0.148 20.278 83.185 1.00 17.80 C ATOM 697 C ASP A 329 -0.046 21.456 84.132 1.00 17.09 C ATOM 698 O ASP A 329 -1.016 22.208 84.272 1.00 18.35 O ATOM 699 CB ASP A 329 -1.062 19.212 83.800 1.00 20.21 C ATOM 700 CG ASP A 329 -0.502 18.609 85.081 1.00 22.99 C ATOM 701 OD1 ASP A 329 0.695 18.282 85.157 1.00 24.62 O ATOM 702 OD2 ASP A 329 -1.281 18.432 86.035 1.00 28.85 O ATOM 703 H ASP A 329 1.368 18.741 83.206 1.00 0.00 H ATOM 704 N GLN A 330 1.109 21.662 84.751 1.00 14.27 N ATOM 705 CA GLN A 330 1.269 22.736 85.708 1.00 14.98 C ATOM 706 C GLN A 330 2.301 23.760 85.281 1.00 13.78 C ATOM 707 O GLN A 330 2.591 24.695 86.040 1.00 14.06 O ATOM 708 CB GLN A 330 1.656 22.186 87.074 1.00 19.31 C ATOM 709 CG GLN A 330 0.558 21.352 87.686 1.00 23.94 C ATOM 710 CD GLN A 330 0.564 21.425 89.180 1.00 29.09 C ATOM 711 OE1 GLN A 330 0.304 22.472 89.751 1.00 30.87 O ATOM 712 NE2 GLN A 330 0.866 20.319 89.827 1.00 31.18 N ATOM 713 HE22 GLN A 330 1.081 19.449 89.298 1.00 0.00 H ATOM 714 HE21 GLN A 330 0.890 20.315 90.867 1.00 0.00 H ATOM 715 H GLN A 330 1.916 21.039 84.544 1.00 0.00 H ATOM 716 N LEU A 331 2.865 23.617 84.098 1.00 12.32 N ATOM 717 CA LEU A 331 3.894 24.534 83.633 1.00 11.07 C ATOM 718 C LEU A 331 3.213 25.638 82.840 1.00 10.71 C ATOM 719 O LEU A 331 2.906 25.475 81.662 1.00 11.46 O ATOM 720 CB LEU A 331 4.934 23.778 82.814 1.00 11.10 C ATOM 721 CG LEU A 331 6.137 24.632 82.416 1.00 11.51 C ATOM 722 CD1 LEU A 331 6.989 24.955 83.618 1.00 11.64 C ATOM 723 CD2 LEU A 331 6.963 23.899 81.397 1.00 13.23 C ATOM 724 H LEU A 331 2.568 22.832 83.484 1.00 0.00 H ATOM 725 N LEU A 332 2.977 26.766 83.505 1.00 11.48 N ATOM 726 CA LEU A 332 2.391 27.935 82.868 1.00 10.44 C ATOM 727 C LEU A 332 3.384 28.543 81.903 1.00 11.63 C ATOM 728 O LEU A 332 4.583 28.565 82.172 1.00 11.65 O ATOM 729 CB LEU A 332 2.109 28.994 83.916 1.00 12.54 C ATOM 730 CG LEU A 332 0.897 28.737 84.790 1.00 19.40 C ATOM 731 CD1 LEU A 332 0.850 29.784 85.894 1.00 21.64 C ATOM 732 CD2 LEU A 332 -0.389 28.783 83.969 1.00 22.42 C ATOM 733 H LEU A 332 3.220 26.814 84.515 1.00 0.00 H ATOM 734 N PHE A 333 2.872 29.043 80.785 1.00 10.54 N ATOM 735 CA PHE A 333 3.660 29.826 79.845 1.00 10.33 C ATOM 736 C PHE A 333 3.236 31.277 79.948 1.00 11.39 C ATOM 737 O PHE A 333 2.064 31.601 79.787 1.00 12.48 O ATOM 738 CB PHE A 333 3.446 29.358 78.400 1.00 11.49 C ATOM 739 CG PHE A 333 3.995 27.984 78.076 1.00 10.97 C ATOM 740 CD1 PHE A 333 4.596 27.175 79.015 1.00 11.41 C ATOM 741 CD2 PHE A 333 3.920 27.533 76.779 1.00 12.44 C ATOM 742 CE1 PHE A 333 5.109 25.929 78.644 1.00 11.24 C ATOM 743 CE2 PHE A 333 4.413 26.304 76.413 1.00 13.63 C ATOM 744 CZ PHE A 333 5.015 25.504 77.336 1.00 12.46 C ATOM 745 H PHE A 333 1.869 28.868 80.573 1.00 0.00 H ATOM 746 N CYS A 334 4.193 32.153 80.167 1.00 9.10 N ATOM 747 CA CYS A 334 3.912 33.576 80.252 1.00 9.04 C ATOM 748 C CYS A 334 3.366 34.104 78.931 1.00 9.25 C ATOM 749 O CYS A 334 3.931 33.848 77.865 1.00 10.04 O ATOM 750 CB CYS A 334 5.207 34.289 80.585 1.00 9.18 C ATOM 751 SG CYS A 334 4.984 36.081 80.613 1.00 9.04 S ATOM 752 H CYS A 334 5.171 31.820 80.282 1.00 0.00 H ATOM 753 N ASP A 335 2.292 34.884 79.008 1.00 9.34 N ATOM 754 CA ASP A 335 1.680 35.408 77.805 1.00 10.39 C ATOM 755 C ASP A 335 2.359 36.651 77.270 1.00 10.61 C ATOM 756 O ASP A 335 1.932 37.173 76.234 1.00 11.94 O ATOM 757 CB ASP A 335 0.197 35.635 78.042 1.00 12.56 C ATOM 758 CG ASP A 335 -0.535 34.337 78.116 1.00 14.90 C ATOM 759 OD1 ASP A 335 -0.183 33.433 77.313 1.00 16.42 O ATOM 760 OD2 ASP A 335 -1.396 34.184 78.986 1.00 15.92 O ATOM 761 H ASP A 335 1.889 35.119 79.938 1.00 0.00 H ATOM 762 N ASP A 336 3.391 37.135 77.934 1.00 10.14 N ATOM 763 CA ASP A 336 4.206 38.202 77.389 1.00 10.24 C ATOM 764 C ASP A 336 5.556 37.732 76.885 1.00 10.83 C ATOM 765 O ASP A 336 6.085 38.352 75.979 1.00 14.49 O ATOM 766 CB ASP A 336 4.364 39.333 78.406 1.00 9.83 C ATOM 767 CG ASP A 336 3.156 40.227 78.424 1.00 9.94 C ATOM 768 OD1 ASP A 336 2.995 41.011 77.472 1.00 10.53 O ATOM 769 OD2 ASP A 336 2.363 40.130 79.369 1.00 10.16 O ATOM 770 H ASP A 336 3.625 36.743 78.868 1.00 0.00 H ATOM 771 N CYS A 337 6.140 36.667 77.442 1.00 9.84 N ATOM 772 CA CYS A 337 7.477 36.258 77.014 1.00 10.41 C ATOM 773 C CYS A 337 7.634 34.779 76.734 1.00 9.40 C ATOM 774 O CYS A 337 8.686 34.385 76.244 1.00 9.70 O ATOM 775 CB CYS A 337 8.521 36.663 78.054 1.00 10.31 C ATOM 776 SG CYS A 337 8.493 35.634 79.534 1.00 10.35 S ATOM 777 H CYS A 337 5.643 36.129 78.180 1.00 0.00 H ATOM 778 N ASP A 338 6.636 33.962 77.021 1.00 9.27 N ATOM 779 CA ASP A 338 6.637 32.532 76.760 1.00 8.79 C ATOM 780 C ASP A 338 7.529 31.724 77.686 1.00 9.63 C ATOM 781 O ASP A 338 7.679 30.533 77.469 1.00 10.40 O ATOM 782 CB ASP A 338 6.918 32.166 75.298 1.00 8.90 C ATOM 783 CG ASP A 338 6.141 30.963 74.851 1.00 9.95 C ATOM 784 OD1 ASP A 338 4.956 30.898 75.192 1.00 12.27 O ATOM 785 OD2 ASP A 338 6.732 30.091 74.163 1.00 10.52 O ATOM 786 H ASP A 338 5.789 34.371 77.465 1.00 0.00 H ATOM 787 N ARG A 339 8.103 32.322 78.724 1.00 9.44 N ATOM 788 CA ARG A 339 8.847 31.529 79.688 1.00 9.55 C ATOM 789 C ARG A 339 7.892 30.649 80.479 1.00 9.79 C ATOM 790 O ARG A 339 6.732 30.988 80.691 1.00 10.09 O ATOM 791 CB ARG A 339 9.609 32.436 80.646 1.00 10.36 C ATOM 792 CG ARG A 339 10.854 33.056 80.037 1.00 11.24 C ATOM 793 CD ARG A 339 11.474 33.993 81.046 1.00 11.73 C ATOM 794 NE ARG A 339 12.691 34.653 80.610 1.00 12.34 N ATOM 795 CZ ARG A 339 12.735 35.845 80.040 1.00 12.96 C ATOM 796 NH1 ARG A 339 11.625 36.507 79.775 1.00 14.05 N ATOM 797 NH2 ARG A 339 13.904 36.372 79.745 1.00 14.89 N ATOM 798 HE ARG A 339 13.591 34.153 80.756 1.00 0.00 H ATOM 799 HH12 ARG A 339 11.673 37.444 79.326 1.00 0.00 H ATOM 800 HH11 ARG A 339 10.702 36.092 80.015 1.00 0.00 H ATOM 801 HH22 ARG A 339 13.954 37.309 79.296 1.00 0.00 H ATOM 802 HH21 ARG A 339 14.778 35.852 79.960 1.00 0.00 H ATOM 803 H ARG A 339 8.020 33.352 78.846 1.00 0.00 H ATOM 804 N GLY A 340 8.404 29.522 80.954 1.00 10.37 N ATOM 805 CA GLY A 340 7.601 28.567 81.688 1.00 11.47 C ATOM 806 C GLY A 340 7.854 28.632 83.186 1.00 10.39 C ATOM 807 O GLY A 340 8.991 28.766 83.630 1.00 12.13 O ATOM 808 H GLY A 340 9.411 29.318 80.795 1.00 0.00 H ATOM 809 N TYR A 341 6.773 28.515 83.953 1.00 9.90 N ATOM 810 CA TYR A 341 6.833 28.540 85.408 1.00 10.55 C ATOM 811 C TYR A 341 5.839 27.531 85.942 1.00 10.72 C ATOM 812 O TYR A 341 4.654 27.593 85.607 1.00 11.18 O ATOM 813 CB TYR A 341 6.409 29.904 85.940 1.00 12.09 C ATOM 814 CG TYR A 341 7.304 31.017 85.492 1.00 12.04 C ATOM 815 CD1 TYR A 341 7.133 31.624 84.249 1.00 12.38 C ATOM 816 CD2 TYR A 341 8.325 31.470 86.312 1.00 13.65 C ATOM 817 CE1 TYR A 341 7.966 32.640 83.842 1.00 12.55 C ATOM 818 CE2 TYR A 341 9.157 32.477 85.918 1.00 13.07 C ATOM 819 CZ TYR A 341 8.975 33.069 84.688 1.00 12.57 C ATOM 820 OH TYR A 341 9.808 34.093 84.321 1.00 14.19 O ATOM 821 HH TYR A 341 9.556 34.414 83.419 1.00 0.00 H ATOM 822 H TYR A 341 5.847 28.401 83.494 1.00 0.00 H ATOM 823 N HIS A 342 6.292 26.619 86.796 1.00 11.36 N ATOM 824 CA HIS A 342 5.339 25.727 87.443 1.00 11.31 C ATOM 825 C HIS A 342 4.453 26.520 88.372 1.00 12.93 C ATOM 826 O HIS A 342 4.915 27.390 89.112 1.00 14.41 O ATOM 827 CB HIS A 342 6.036 24.669 88.269 1.00 13.62 C ATOM 828 CG HIS A 342 6.742 23.652 87.451 1.00 12.68 C ATOM 829 ND1 HIS A 342 8.108 23.500 87.487 1.00 12.90 N ATOM 830 CD2 HIS A 342 6.274 22.724 86.583 1.00 12.87 C ATOM 831 CE1 HIS A 342 8.452 22.510 86.686 1.00 13.68 C ATOM 832 NE2 HIS A 342 7.360 22.035 86.113 1.00 13.82 N ATOM 833 H HIS A 342 7.309 26.543 86.999 1.00 0.00 H ATOM 834 N MET A 343 3.162 26.202 88.360 1.00 14.77 N ATOM 835 CA MET A 343 2.253 26.886 89.264 1.00 18.24 C ATOM 836 C MET A 343 2.637 26.670 90.716 1.00 19.85 C ATOM 837 O MET A 343 2.361 27.513 91.567 1.00 22.44 O ATOM 838 CB MET A 343 0.834 26.403 89.000 1.00 21.59 C ATOM 839 CG MET A 343 0.280 26.978 87.716 1.00 23.99 C ATOM 840 SD MET A 343 -1.434 26.584 87.381 1.00 26.86 S ATOM 841 CE MET A 343 -1.200 24.827 87.389 1.00 20.63 C ATOM 842 H MET A 343 2.807 25.472 87.711 1.00 0.00 H ATOM 843 N TYR A 344 3.282 25.541 91.017 1.00 20.19 N ATOM 844 CA TYR A 344 3.723 25.244 92.371 1.00 21.01 C ATOM 845 C TYR A 344 5.098 25.813 92.691 1.00 21.67 C ATOM 846 O TYR A 344 5.524 25.751 93.852 1.00 23.16 O ATOM 847 CB TYR A 344 3.718 23.735 92.599 1.00 20.41 C ATOM 848 CG TYR A 344 4.504 22.919 91.589 1.00 19.34 C ATOM 849 CD1 TYR A 344 5.886 22.849 91.648 1.00 18.34 C ATOM 850 CD2 TYR A 344 3.855 22.194 90.604 1.00 19.97 C ATOM 851 CE1 TYR A 344 6.605 22.081 90.746 1.00 17.90 C ATOM 852 CE2 TYR A 344 4.562 21.430 89.703 1.00 18.79 C ATOM 853 CZ TYR A 344 5.927 21.374 89.775 1.00 17.16 C ATOM 854 OH TYR A 344 6.599 20.588 88.877 1.00 17.90 O ATOM 855 HH TYR A 344 7.572 20.648 89.051 1.00 0.00 H ATOM 856 H TYR A 344 3.475 24.853 90.261 1.00 0.00 H ATOM 857 N CYS A 345 5.796 26.363 91.697 1.00 19.84 N ATOM 858 CA CYS A 345 7.037 27.085 91.944 1.00 20.54 C ATOM 859 C CYS A 345 6.799 28.566 92.190 1.00 21.05 C ATOM 860 O CYS A 345 7.658 29.224 92.785 1.00 23.85 O ATOM 861 CB CYS A 345 8.018 26.898 90.779 1.00 18.16 C ATOM 862 SG CYS A 345 8.744 25.256 90.724 1.00 17.54 S ATOM 863 H CYS A 345 5.446 26.274 90.722 1.00 0.00 H ATOM 864 N LEU A 346 5.653 29.089 91.763 1.00 21.69 N ATOM 865 CA LEU A 346 5.280 30.458 92.071 1.00 23.94 C ATOM 866 C LEU A 346 5.062 30.601 93.573 1.00 27.26 C ATOM 867 O LEU A 346 4.843 29.627 94.293 1.00 28.37 O ATOM 868 CB LEU A 346 3.991 30.835 91.336 1.00 22.50 C ATOM 869 CG LEU A 346 4.017 30.689 89.817 1.00 22.36 C ATOM 870 CD1 LEU A 346 2.676 31.063 89.213 1.00 23.13 C ATOM 871 CD2 LEU A 346 5.128 31.532 89.221 1.00 22.41 C ATOM 872 H LEU A 346 5.008 28.503 91.195 1.00 0.00 H ATOM 873 N ASN A 347 5.130 31.840 94.037 1.00 29.97 N ATOM 874 CA ASN A 347 4.872 32.158 95.434 1.00 31.45 C ATOM 875 C ASN A 347 4.098 33.476 95.490 1.00 31.02 C ATOM 876 O ASN A 347 4.657 34.525 95.184 1.00 31.91 O ATOM 877 CB ASN A 347 6.190 32.301 96.187 1.00 33.33 C ATOM 878 CG ASN A 347 6.022 32.199 97.689 1.00 35.68 C ATOM 879 OD1 ASN A 347 4.913 32.008 98.196 1.00 37.40 O ATOM 880 ND2 ASN A 347 7.131 32.308 98.411 1.00 36.38 N ATOM 881 HD22 ASN A 347 8.044 32.469 97.940 1.00 0.00 H ATOM 882 HD21 ASN A 347 7.086 32.233 99.447 1.00 0.00 H ATOM 883 H ASN A 347 5.376 32.610 93.382 1.00 0.00 H ATOM 884 N PRO A 348 2.806 33.435 95.865 1.00 32.57 N ATOM 885 CA PRO A 348 2.020 32.276 96.291 1.00 33.34 C ATOM 886 C PRO A 348 1.812 31.283 95.151 1.00 34.08 C ATOM 887 O PRO A 348 1.522 31.703 94.036 1.00 34.71 O ATOM 888 CB PRO A 348 0.677 32.896 96.702 1.00 32.74 C ATOM 889 CG PRO A 348 0.572 34.118 95.892 1.00 32.12 C ATOM 890 CD PRO A 348 1.973 34.646 95.779 1.00 31.91 C ATOM 891 N PRO A 349 1.959 29.989 95.417 1.00 34.06 N ATOM 892 CA PRO A 349 1.596 29.007 94.391 1.00 33.19 C ATOM 893 C PRO A 349 0.176 29.216 93.897 1.00 34.22 C ATOM 894 O PRO A 349 -0.627 29.909 94.533 1.00 35.16 O ATOM 895 CB PRO A 349 1.774 27.655 95.097 1.00 32.62 C ATOM 896 CG PRO A 349 1.985 27.966 96.545 1.00 33.66 C ATOM 897 CD PRO A 349 2.537 29.346 96.607 1.00 33.50 C ATOM 898 N VAL A 350 -0.131 28.609 92.759 1.00 33.75 N ATOM 899 CA VAL A 350 -1.376 28.823 92.035 1.00 32.55 C ATOM 900 C VAL A 350 -2.037 27.469 91.844 1.00 33.87 C ATOM 901 O VAL A 350 -1.361 26.482 91.534 1.00 34.40 O ATOM 902 CB VAL A 350 -1.076 29.478 90.672 1.00 32.52 C ATOM 903 CG1 VAL A 350 -2.322 29.524 89.795 1.00 32.64 C ATOM 904 CG2 VAL A 350 -0.480 30.867 90.873 1.00 31.51 C ATOM 905 H VAL A 350 0.558 27.940 92.360 1.00 0.00 H ATOM 906 N ALA A 351 -3.359 27.418 92.026 1.00 33.66 N ATOM 907 CA ALA A 351 -4.067 26.147 91.963 1.00 33.25 C ATOM 908 C ALA A 351 -4.554 25.799 90.566 1.00 32.90 C ATOM 909 O ALA A 351 -4.641 24.612 90.234 1.00 35.03 O ATOM 910 CB ALA A 351 -5.260 26.149 92.923 1.00 34.27 C ATOM 911 H ALA A 351 -3.888 28.294 92.214 1.00 0.00 H ATOM 912 N GLU A 352 -4.867 26.790 89.737 1.00 32.38 N ATOM 913 CA GLU A 352 -5.429 26.532 88.420 1.00 31.64 C ATOM 914 C GLU A 352 -4.909 27.587 87.460 1.00 31.20 C ATOM 915 O GLU A 352 -4.726 28.743 87.859 1.00 29.64 O ATOM 916 CB GLU A 352 -6.962 26.591 88.456 1.00 31.96 C ATOM 917 H GLU A 352 -4.706 27.773 90.037 1.00 0.00 H ATOM 918 N PRO A 353 -4.675 27.239 86.199 1.00 30.69 N ATOM 919 CA PRO A 353 -4.321 28.263 85.222 1.00 30.68 C ATOM 920 C PRO A 353 -5.392 29.339 85.193 1.00 30.56 C ATOM 921 O PRO A 353 -6.591 29.026 85.108 1.00 31.37 O ATOM 922 CB PRO A 353 -4.278 27.489 83.896 1.00 30.46 C ATOM 923 CG PRO A 353 -4.020 26.074 84.298 1.00 30.26 C ATOM 924 CD PRO A 353 -4.791 25.909 85.575 1.00 29.90 C ATOM 925 N PRO A 354 -5.018 30.611 85.310 1.00 30.33 N ATOM 926 CA PRO A 354 -6.022 31.675 85.232 1.00 30.21 C ATOM 927 C PRO A 354 -6.781 31.614 83.919 1.00 30.61 C ATOM 928 O PRO A 354 -6.385 30.954 82.955 1.00 32.67 O ATOM 929 CB PRO A 354 -5.186 32.955 85.314 1.00 30.58 C ATOM 930 CG PRO A 354 -3.950 32.548 86.028 1.00 29.13 C ATOM 931 CD PRO A 354 -3.673 31.152 85.569 1.00 29.64 C ATOM 932 N GLU A 355 -7.895 32.332 83.888 1.00 30.58 N ATOM 933 CA GLU A 355 -8.599 32.588 82.646 1.00 29.64 C ATOM 934 C GLU A 355 -7.956 33.795 81.979 1.00 29.70 C ATOM 935 O GLU A 355 -7.543 34.744 82.650 1.00 31.05 O ATOM 936 CB GLU A 355 -10.082 32.863 82.915 1.00 29.95 C ATOM 937 H GLU A 355 -8.273 32.721 84.775 1.00 0.00 H ATOM 938 N GLY A 356 -7.863 33.754 80.660 1.00 28.37 N ATOM 939 CA GLY A 356 -7.207 34.861 80.006 1.00 27.40 C ATOM 940 C GLY A 356 -5.741 34.913 80.412 1.00 25.05 C ATOM 941 O GLY A 356 -5.187 33.995 81.021 1.00 25.42 O ATOM 942 H GLY A 356 -8.247 32.956 80.116 1.00 0.00 H ATOM 943 N SER A 357 -5.114 36.028 80.053 1.00 26.52 N ATOM 944 CA SER A 357 -3.658 36.081 80.093 1.00 22.92 C ATOM 945 C SER A 357 -3.105 35.919 81.514 1.00 19.68 C ATOM 946 O SER A 357 -3.700 36.338 82.509 1.00 22.78 O ATOM 947 CB SER A 357 -3.118 37.388 79.484 1.00 24.08 C ATOM 948 OG SER A 357 -3.763 37.743 78.262 1.00 27.67 O ATOM 949 HG SER A 357 -3.627 37.022 77.597 1.00 0.00 H ATOM 950 H SER A 357 -5.659 36.858 79.745 1.00 0.00 H ATOM 951 N TRP A 358 -1.937 35.302 81.591 1.00 16.35 N ATOM 952 CA TRP A 358 -1.124 35.276 82.798 1.00 13.80 C ATOM 953 C TRP A 358 0.277 35.649 82.360 1.00 11.82 C ATOM 954 O TRP A 358 0.768 35.129 81.349 1.00 12.92 O ATOM 955 CB TRP A 358 -1.094 33.879 83.437 1.00 13.95 C ATOM 956 CG TRP A 358 -0.140 33.825 84.587 1.00 13.55 C ATOM 957 CD1 TRP A 358 -0.397 34.168 85.871 1.00 15.71 C ATOM 958 CD2 TRP A 358 1.235 33.434 84.545 1.00 13.05 C ATOM 959 NE1 TRP A 358 0.722 34.022 86.640 1.00 16.55 N ATOM 960 CE2 TRP A 358 1.745 33.580 85.845 1.00 14.39 C ATOM 961 CE3 TRP A 358 2.082 32.975 83.532 1.00 12.53 C ATOM 962 CZ2 TRP A 358 3.064 33.287 86.160 1.00 13.38 C ATOM 963 CZ3 TRP A 358 3.384 32.694 83.843 1.00 12.19 C ATOM 964 CH2 TRP A 358 3.866 32.845 85.147 1.00 12.14 C ATOM 965 HE1 TRP A 358 0.786 34.215 87.660 1.00 0.00 H ATOM 966 H TRP A 358 -1.582 34.811 80.746 1.00 0.00 H ATOM 967 N SER A 359 0.917 36.538 83.103 1.00 10.90 N ATOM 968 CA SER A 359 2.278 36.912 82.796 1.00 11.97 C ATOM 969 C SER A 359 3.147 36.798 84.024 1.00 11.45 C ATOM 970 O SER A 359 2.689 36.950 85.157 1.00 11.63 O ATOM 971 CB SER A 359 2.335 38.284 82.219 1.00 13.49 C ATOM 972 OG SER A 359 1.640 38.243 80.999 1.00 14.93 O ATOM 973 HG SER A 359 1.655 39.141 80.582 1.00 0.00 H ATOM 974 H SER A 359 0.435 36.972 83.916 1.00 0.00 H ATOM 975 N CYS A 360 4.414 36.571 83.760 1.00 10.28 N ATOM 976 CA CYS A 360 5.362 36.223 84.791 1.00 10.95 C ATOM 977 C CYS A 360 5.929 37.459 85.472 1.00 12.23 C ATOM 978 O CYS A 360 5.783 38.591 85.021 1.00 12.24 O ATOM 979 CB CYS A 360 6.503 35.410 84.186 1.00 11.49 C ATOM 980 SG CYS A 360 7.747 36.321 83.248 1.00 11.16 S ATOM 981 H CYS A 360 4.744 36.644 82.777 1.00 0.00 H ATOM 982 N HIS A 361 6.623 37.211 86.566 1.00 13.74 N ATOM 983 CA HIS A 361 7.122 38.308 87.370 1.00 16.14 C ATOM 984 C HIS A 361 8.206 39.086 86.640 1.00 15.85 C ATOM 985 O HIS A 361 8.359 40.288 86.876 1.00 15.55 O ATOM 986 CB HIS A 361 7.609 37.774 88.715 1.00 20.66 C ATOM 987 CG HIS A 361 8.919 37.058 88.647 1.00 22.99 C ATOM 988 ND1 HIS A 361 9.056 35.792 88.121 1.00 23.69 N ATOM 989 CD2 HIS A 361 10.155 37.430 89.060 1.00 24.10 C ATOM 990 CE1 HIS A 361 10.323 35.421 88.196 1.00 24.78 C ATOM 991 NE2 HIS A 361 11.009 36.396 88.764 1.00 26.16 N ATOM 992 H HIS A 361 6.812 36.229 86.851 1.00 0.00 H ATOM 993 N LEU A 362 8.982 38.433 85.775 1.00 14.67 N ATOM 994 CA LEU A 362 9.986 39.162 85.007 1.00 14.96 C ATOM 995 C LEU A 362 9.335 40.201 84.115 1.00 14.30 C ATOM 996 O LEU A 362 9.815 41.337 84.006 1.00 15.14 O ATOM 997 CB LEU A 362 10.821 38.201 84.166 1.00 15.09 C ATOM 998 CG LEU A 362 11.695 37.191 84.907 1.00 17.93 C ATOM 999 CD1 LEU A 362 12.380 36.278 83.924 1.00 18.49 C ATOM 1000 CD2 LEU A 362 12.733 37.884 85.766 1.00 19.48 C ATOM 1001 H LEU A 362 8.872 37.407 85.648 1.00 0.00 H ATOM 1002 N CYS A 363 8.246 39.827 83.461 1.00 12.57 N ATOM 1003 CA CYS A 363 7.555 40.762 82.593 1.00 12.36 C ATOM 1004 C CYS A 363 6.844 41.835 83.402 1.00 11.85 C ATOM 1005 O CYS A 363 6.829 43.003 83.006 1.00 12.73 O ATOM 1006 CB CYS A 363 6.587 39.998 81.700 1.00 11.05 C ATOM 1007 SG CYS A 363 7.440 38.986 80.493 1.00 10.72 S ATOM 1008 H CYS A 363 7.884 38.858 83.570 1.00 0.00 H ATOM 1009 N TRP A 364 6.257 41.471 84.543 1.00 12.46 N ATOM 1010 CA TRP A 364 5.642 42.477 85.404 1.00 14.20 C ATOM 1011 C TRP A 364 6.665 43.523 85.837 1.00 15.82 C ATOM 1012 O TRP A 364 6.361 44.718 85.869 1.00 17.84 O ATOM 1013 CB TRP A 364 4.983 41.808 86.611 1.00 15.30 C ATOM 1014 CG TRP A 364 3.558 41.324 86.327 1.00 15.75 C ATOM 1015 CD1 TRP A 364 3.171 40.068 85.972 1.00 16.01 C ATOM 1016 CD2 TRP A 364 2.355 42.117 86.366 1.00 15.28 C ATOM 1017 NE1 TRP A 364 1.811 40.029 85.783 1.00 15.53 N ATOM 1018 CE2 TRP A 364 1.288 41.272 86.031 1.00 15.17 C ATOM 1019 CE3 TRP A 364 2.086 43.457 86.650 1.00 15.26 C ATOM 1020 CZ2 TRP A 364 -0.032 41.724 85.972 1.00 16.92 C ATOM 1021 CZ3 TRP A 364 0.785 43.903 86.598 1.00 17.41 C ATOM 1022 CH2 TRP A 364 -0.261 43.042 86.261 1.00 18.56 C ATOM 1023 HE1 TRP A 364 1.265 39.191 85.498 1.00 0.00 H ATOM 1024 H TRP A 364 6.237 40.469 84.820 1.00 0.00 H ATOM 1025 N GLU A 365 7.894 43.101 86.125 1.00 16.73 N ATOM 1026 CA GLU A 365 8.925 44.045 86.560 1.00 17.98 C ATOM 1027 C GLU A 365 9.316 44.984 85.436 1.00 19.10 C ATOM 1028 O GLU A 365 9.620 46.163 85.675 1.00 19.49 O ATOM 1029 CB GLU A 365 10.188 43.289 86.979 1.00 20.14 C ATOM 1030 CG GLU A 365 10.088 42.555 88.280 1.00 22.82 C ATOM 1031 CD GLU A 365 11.394 41.915 88.680 1.00 27.07 C ATOM 1032 OE1 GLU A 365 12.279 41.774 87.810 1.00 29.22 O ATOM 1033 OE2 GLU A 365 11.519 41.543 89.858 1.00 29.02 O ATOM 1034 H GLU A 365 8.124 42.090 86.040 1.00 0.00 H ATOM 1035 N LEU A 366 9.366 44.452 84.212 1.00 23.15 N ATOM 1036 CA LEU A 366 9.952 45.135 83.070 1.00 25.66 C ATOM 1037 C LEU A 366 8.977 46.096 82.419 1.00 25.60 C ATOM 1038 O LEU A 366 9.377 47.170 81.962 1.00 26.79 O ATOM 1039 CB LEU A 366 10.399 44.099 82.035 1.00 25.95 C ATOM 1040 CG LEU A 366 10.804 44.595 80.644 1.00 28.70 C ATOM 1041 CD1 LEU A 366 12.156 45.282 80.726 1.00 28.57 C ATOM 1042 CD2 LEU A 366 10.823 43.456 79.634 1.00 29.59 C ATOM 1043 H LEU A 366 8.966 43.503 84.069 1.00 0.00 H ATOM 1044 N LEU A 367 7.709 45.722 82.344 1.00 24.87 N ATOM 1045 CA LEU A 367 6.770 46.436 81.497 1.00 25.16 C ATOM 1046 C LEU A 367 5.864 47.382 82.255 1.00 27.26 C ATOM 1047 O LEU A 367 5.409 48.371 81.681 1.00 28.77 O ATOM 1048 CB LEU A 367 5.938 45.434 80.687 1.00 23.91 C ATOM 1049 CG LEU A 367 6.776 44.671 79.658 1.00 25.42 C ATOM 1050 CD1 LEU A 367 6.063 43.457 79.096 1.00 26.62 C ATOM 1051 CD2 LEU A 367 7.153 45.612 78.534 1.00 25.75 C ATOM 1052 H LEU A 367 7.381 44.906 82.899 1.00 0.00 H ATOM 1053 N LYS A 368 5.612 47.121 83.527 1.00 28.80 N ATOM 1054 CA LYS A 368 4.755 47.992 84.315 1.00 31.67 C ATOM 1055 C LYS A 368 5.564 48.966 85.162 1.00 31.95 C ATOM 1056 O LYS A 368 6.768 48.798 85.344 1.00 33.50 O ATOM 1057 CB LYS A 368 3.866 47.139 85.215 1.00 32.34 C ATOM 1058 H LYS A 368 6.033 46.280 83.970 1.00 0.00 H TER 1059 LYS A 368 HETATM 1060 ZN ZN A 1 5.862 28.545 59.306 1.00 9.42 ZN HETATM 1061 ZN ZN A 2 13.176 22.408 71.769 1.00 11.43 ZN HETATM 1062 ZN ZN A 3 9.374 24.777 88.612 1.00 15.10 ZN HETATM 1063 ZN ZN A 4 7.162 36.775 81.035 1.00 9.92 ZN HETATM 1064 O HOH 5 28.818 22.967 73.185 1.00 40.14 O HETATM 1065 O HOH 6 6.262 15.012 85.026 1.00 26.20 O HETATM 1066 O HOH 7 19.140 21.414 63.809 1.00 27.80 O HETATM 1067 O HOH 8 17.088 31.472 57.279 1.00 25.51 O HETATM 1068 O HOH 9 7.968 41.523 66.382 1.00 31.02 O HETATM 1069 O HOH 10 6.268 33.763 92.958 1.00 43.46 O HETATM 1070 O HOH 11 -3.213 36.450 76.212 1.00 29.55 O HETATM 1071 O HOH 12 6.054 38.206 57.815 1.00 19.22 O HETATM 1072 O HOH 13 -5.269 38.804 76.536 1.00 24.08 O HETATM 1073 O HOH 14 -1.894 29.922 70.324 1.00 35.85 O HETATM 1074 O HOH 15 9.122 20.316 89.047 1.00 19.21 O HETATM 1075 O HOH 16 -0.620 36.638 54.094 1.00 27.40 O HETATM 1076 O HOH 17 -1.069 32.293 62.925 1.00 31.18 O HETATM 1077 O HOH 18 5.660 27.911 73.272 1.00 30.48 O HETATM 1078 O HOH 19 8.848 28.540 51.716 1.00 21.07 O HETATM 1079 O HOH 20 0.643 36.862 74.008 1.00 21.60 O HETATM 1080 O HOH 21 14.310 20.885 78.813 1.00 31.58 O HETATM 1081 O HOH 22 15.737 34.659 54.676 1.00 29.27 O HETATM 1082 O HOH 23 6.570 47.083 87.326 1.00 21.35 O HETATM 1083 O HOH 24 -2.268 29.569 54.176 1.00 23.09 O HETATM 1084 O HOH 25 18.429 37.551 77.838 1.00 33.93 O HETATM 1085 O HOH 26 15.510 22.720 91.090 1.00 28.69 O HETATM 1086 O HOH 27 15.841 30.419 71.451 1.00 9.16 O HETATM 1087 O HOH 28 20.892 27.108 60.725 1.00 27.59 O HETATM 1088 O HOH 29 6.894 34.377 87.502 1.00 19.63 O HETATM 1089 O HOH 30 16.976 30.695 63.615 1.00 26.64 O HETATM 1090 O HOH 31 -0.535 31.839 80.326 1.00 15.91 O HETATM 1091 O HOH 32 12.566 28.996 78.593 1.00 12.03 O HETATM 1092 O HOH 33 11.563 19.271 62.667 1.00 28.23 O HETATM 1093 O HOH 34 1.124 43.496 72.485 1.00 15.44 O HETATM 1094 O HOH 35 10.339 38.579 60.216 1.00 26.05 O HETATM 1095 O HOH 36 11.017 28.765 80.760 1.00 17.05 O HETATM 1096 O HOH 37 3.328 24.138 54.055 1.00 26.50 O HETATM 1097 O HOH 38 1.096 27.015 66.601 1.00 28.75 O HETATM 1098 O HOH 39 7.227 37.395 62.713 1.00 18.01 O HETATM 1099 O HOH 40 15.569 29.580 56.483 1.00 14.67 O HETATM 1100 O HOH 41 12.360 23.095 62.565 1.00 10.68 O HETATM 1101 O HOH 42 16.312 32.791 62.840 1.00 37.55 O HETATM 1102 O HOH 43 2.055 39.419 73.838 1.00 16.32 O HETATM 1103 O HOH 44 4.675 20.111 59.539 1.00 30.73 O HETATM 1104 O HOH 45 15.652 18.487 60.851 1.00 18.40 O HETATM 1105 O HOH 46 9.477 48.876 85.488 1.00 32.29 O HETATM 1106 O HOH 47 12.649 36.788 56.659 1.00 21.95 O HETATM 1107 O HOH 48 3.136 36.856 87.839 1.00 23.63 O HETATM 1108 O HOH 49 1.337 32.270 59.421 1.00 27.54 O HETATM 1109 O HOH 50 -0.481 33.700 74.610 1.00 32.18 O HETATM 1110 O HOH 51 16.825 21.703 87.717 1.00 29.54 O HETATM 1111 O HOH 52 3.253 28.157 70.117 1.00 26.88 O HETATM 1112 O HOH 53 15.092 29.945 78.729 1.00 17.33 O HETATM 1113 O HOH 54 -1.075 38.702 81.084 1.00 20.57 O HETATM 1114 O HOH 55 4.200 36.045 57.893 1.00 13.28 O HETATM 1115 O HOH 56 14.405 38.574 78.164 1.00 24.08 O HETATM 1116 O HOH 57 12.423 18.660 70.172 1.00 31.78 O HETATM 1117 O HOH 58 0.467 27.377 62.504 1.00 29.31 O HETATM 1118 O HOH 59 12.560 41.633 84.055 1.00 25.93 O HETATM 1119 O HOH 60 17.280 40.033 70.325 1.00 30.19 O HETATM 1120 O HOH 61 13.716 41.346 70.022 1.00 18.65 O HETATM 1121 O HOH 62 0.689 36.297 50.829 1.00 26.25 O HETATM 1122 O HOH 63 14.344 35.489 64.562 1.00 29.44 O HETATM 1123 O HOH 64 10.210 24.597 51.970 1.00 23.22 O HETATM 1124 O HOH 65 -3.095 22.334 86.142 1.00 34.55 O HETATM 1125 O HOH 66 15.309 33.907 81.263 1.00 29.62 O HETATM 1126 O HOH 67 15.221 32.974 70.560 1.00 10.88 O HETATM 1127 O HOH 68 2.199 33.884 92.403 1.00 38.38 O HETATM 1128 O HOH 69 4.347 19.930 70.429 1.00 31.76 O HETATM 1129 O HOH 70 17.806 20.718 65.299 1.00 24.80 O HETATM 1130 O HOH 71 0.537 35.200 65.114 1.00 23.48 O HETATM 1131 O HOH 72 1.643 42.556 51.524 1.00 22.38 O HETATM 1132 O HOH 73 14.721 34.365 65.989 1.00 21.45 O HETATM 1133 O HOH 74 -7.097 28.656 81.487 1.00 35.84 O HETATM 1134 O HOH 75 18.666 27.237 68.198 1.00 31.52 O HETATM 1135 O HOH 76 11.692 35.794 49.792 1.00 41.00 O HETATM 1136 O HOH 77 6.821 16.020 81.636 1.00 32.67 O HETATM 1137 O HOH 78 1.044 30.528 70.874 1.00 26.54 O HETATM 1138 O HOH 79 11.548 28.463 52.028 1.00 17.52 O HETATM 1139 O HOH 80 18.050 24.425 53.037 1.00 29.10 O HETATM 1140 O HOH 81 21.403 27.576 71.646 1.00 24.47 O HETATM 1141 O HOH 82 6.732 20.533 81.937 1.00 19.02 O HETATM 1142 O HOH 83 8.557 42.384 73.620 1.00 22.47 O HETATM 1143 O HOH 84 10.948 29.781 76.524 1.00 9.36 O HETATM 1144 O HOH 85 15.532 18.767 67.124 1.00 35.98 O HETATM 1145 O HOH 86 -0.554 33.871 63.991 1.00 43.38 O HETATM 1146 O HOH 87 20.785 26.498 56.118 1.00 31.93 O HETATM 1147 O HOH 88 9.139 40.841 91.315 1.00 39.54 O HETATM 1148 O HOH 89 21.182 21.182 73.785 1.00 23.36 O HETATM 1149 O HOH 90 3.851 15.928 82.840 1.00 20.94 O HETATM 1150 O HOH 91 -3.441 33.478 77.065 1.00 31.52 O HETATM 1151 O HOH 92 12.729 17.497 84.407 1.00 27.25 O HETATM 1152 O HOH 93 1.680 35.366 71.873 1.00 12.25 O HETATM 1153 O HOH 94 15.321 18.802 63.897 1.00 30.64 O HETATM 1154 O HOH 95 15.330 32.244 67.859 1.00 14.77 O HETATM 1155 O HOH 96 17.048 29.309 61.257 1.00 23.89 O HETATM 1156 O HOH 97 17.927 18.293 68.566 1.00 33.24 O HETATM 1157 O HOH 98 2.710 34.792 48.421 1.00 38.56 O HETATM 1158 O HOH 99 11.851 18.691 78.113 1.00 32.22 O HETATM 1159 O HOH 100 -0.459 38.078 85.193 1.00 21.91 O HETATM 1160 O HOH 101 15.336 33.748 60.643 1.00 24.40 O HETATM 1161 O HOH 102 13.234 34.046 48.593 1.00 33.37 O HETATM 1162 O HOH 103 18.051 33.166 78.463 1.00 24.21 O HETATM 1163 O HOH 104 17.037 27.200 89.723 1.00 40.48 O HETATM 1164 O HOH 105 -2.129 15.841 84.816 1.00 35.64 O HETATM 1165 O HOH 106 14.440 27.494 80.951 1.00 41.20 O HETATM 1166 O HOH 107 14.802 20.079 82.277 1.00 36.96 O HETATM 1167 O HOH 108 12.353 41.246 76.250 1.00 38.96 O HETATM 1168 O HOH 109 1.069 34.509 89.669 1.00 36.56 O HETATM 1169 O HOH 110 8.143 42.712 76.165 1.00 24.57 O HETATM 1170 O HOH 111 10.697 39.434 80.160 1.00 24.60 O HETATM 1171 O HOH 112 2.419 39.990 58.347 1.00 27.97 O HETATM 1172 O HOH 113 7.971 40.458 77.359 1.00 25.55 O HETATM 1173 O HOH 114 -4.037 17.174 84.790 1.00 30.95 O HETATM 1174 O HOH 115 17.701 20.022 60.190 1.00 27.73 O HETATM 1175 O HOH 116 8.083 34.120 91.006 1.00 39.64 O HETATM 1176 O HOH 117 18.026 30.839 68.105 1.00 30.76 O HETATM 1177 O HOH 118 4.441 34.909 91.675 1.00 28.48 O HETATM 1178 O HOH 119 16.514 31.843 59.664 1.00 31.58 O HETATM 1179 O HOH 120 11.263 42.324 73.926 1.00 28.33 O HETATM 1180 O HOH 121 17.825 26.849 52.569 1.00 30.26 O HETATM 1181 O HOH 122 14.212 36.869 54.279 1.00 27.71 O HETATM 1182 O HOH 123 7.519 38.786 60.318 1.00 23.22 O HETATM 1183 O HOH 124 1.621 27.016 59.880 1.00 21.27 O HETATM 1184 O HOH 125 4.655 35.149 89.066 1.00 26.74 O HETATM 1185 O HOH 126 7.736 40.446 62.621 1.00 42.08 O HETATM 1186 O HOH 127 -1.640 39.560 83.346 1.00 32.83 O HETATM 1187 O HOH 128 12.450 18.278 73.140 1.00 28.34 O HETATM 1188 O HOH 129 0.713 25.962 55.676 1.00 30.10 O HETATM 1189 O HOH 130 15.160 36.204 58.922 1.00 29.41 O HETATM 1190 O HOH 131 10.785 39.910 77.526 1.00 33.41 O HETATM 1191 O HOH 132 1.818 37.194 58.454 1.00 24.69 O HETATM 1192 O HOH 133 -1.757 37.240 87.301 1.00 41.39 O HETATM 1193 O HOH 134 21.607 25.457 58.713 1.00 31.66 O HETATM 1194 O HOH 135 4.249 38.911 89.510 1.00 29.54 O HETATM 1195 O HOH 136 16.098 41.002 68.857 1.00 25.01 O HETATM 1196 O HOH 137 18.444 30.984 71.157 1.00 22.34 O HETATM 1197 O HOH 138 19.274 29.145 59.908 1.00 37.15 O HETATM 1198 O HOH 139 13.011 40.225 81.507 1.00 36.47 O HETATM 1199 O HOH 140 11.072 26.189 92.738 1.00 31.11 O HETATM 1200 O HOH 141 3.138 51.009 84.514 1.00 42.38 O HETATM 1201 O HOH 142 14.143 43.760 71.453 1.00 28.55 O HETATM 1202 O HOH 143 1.557 14.942 81.966 1.00 35.29 O HETATM 1203 O HOH 144 -0.911 14.376 83.774 1.00 27.88 O HETATM 1204 O HOH 145 -0.113 25.423 57.713 1.00 31.17 O HETATM 1205 O HOH 146 -3.412 28.771 56.826 1.00 34.20 O HETATM 1206 O HOH 147 -1.963 37.358 73.785 1.00 17.38 O HETATM 1207 O HOH 148 16.371 31.718 80.186 1.00 29.81 O HETATM 1208 O HOH 149 13.455 22.132 92.874 1.00 27.39 O HETATM 1209 O HOH 150 5.949 17.642 58.806 1.00 34.63 O HETATM 1210 O HOH 151 22.070 29.304 61.787 1.00 43.07 O HETATM 1211 O HOH 152 19.125 22.211 86.163 1.00 35.32 O HETATM 1212 O HOH 153 0.640 22.613 55.301 1.00 31.75 O HETATM 1213 O HOH 154 -0.683 42.770 50.415 1.00 29.72 O HETATM 1214 O HOH 155 20.675 30.339 72.327 1.00 27.08 O HETATM 1215 O HOH 156 -1.425 42.006 82.468 1.00 26.09 O HETATM 1216 O HOH 157 -2.400 43.223 51.799 1.00 42.85 O HETATM 1217 O HOH 158 19.067 19.499 58.057 1.00 26.86 O HETATM 1218 O HOH 159 21.470 20.724 58.392 1.00 39.76 O HETATM 1219 O HOH 160 -1.400 44.676 82.966 1.00 21.51 O HETATM 1220 O HOH 161 14.245 20.698 95.041 1.00 38.78 O HETATM 1221 O HOH 162 0.035 16.971 80.355 1.00 25.09 O HETATM 1222 O HOH 163 -3.934 16.641 78.912 1.00 28.11 O HETATM 1223 O HOH 164 6.945 25.618 70.667 1.00 20.41 O HETATM 1224 O HOH 165 -2.669 15.984 82.603 1.00 25.72 O HETATM 1225 O HOH 166 -0.750 18.593 75.817 1.00 25.69 O HETATM 1226 O HOH 167 -2.857 22.365 82.102 1.00 20.26 O HETATM 1227 O HOH 168 -5.596 24.054 74.065 1.00 35.18 O HETATM 1228 O HOH 169 1.245 22.334 60.379 1.00 32.99 O HETATM 1229 O HOH 170 -5.423 20.483 78.949 1.00 28.92 O HETATM 1230 O HOH 171 1.564 28.495 72.577 1.00 25.46 O HETATM 1231 O HOH 172 -3.303 26.950 75.404 1.00 28.26 O HETATM 1232 O HOH 173 -0.611 24.939 65.540 1.00 33.70 O HETATM 1233 O HOH 174 -7.472 26.739 80.053 1.00 37.67 O HETATM 1234 O HOH 175 5.699 27.502 70.983 1.00 24.75 O HETATM 1235 O HOH 176 -5.275 23.896 82.261 1.00 30.76 O HETATM 1236 N ALA A 177 -5.217 31.296 80.325 1.00 0.24 N HETATM 1237 CA ALA A 177 -3.748 31.040 80.463 1.00 0.06 C HETATM 1238 C ALA A 177 -3.343 29.753 79.783 1.00 0.23 C HETATM 1239 O ALA A 177 -4.144 28.844 79.605 1.00 -0.39 O HETATM 1240 N ALA A 177 -2.079 29.680 79.415 1.00 -0.26 N HETATM 1241 CA ALA A 177 -1.532 28.519 78.737 1.00 0.13 C HETATM 1242 C ALA A 177 -0.655 27.732 79.700 1.00 0.20 C HETATM 1243 O ALA A 177 0.133 28.313 80.448 1.00 -0.39 O HETATM 1244 N ALA A 177 -0.764 26.408 79.653 1.00 -0.26 N HETATM 1245 CA ALA A 177 0.267 25.535 80.192 1.00 0.16 C HETATM 1246 C ALA A 177 0.896 24.773 79.045 1.00 0.21 C HETATM 1247 O ALA A 177 0.397 24.823 77.917 1.00 -0.39 O HETATM 1248 N ALA A 177 1.973 24.043 79.310 1.00 -0.26 N HETATM 1249 CA ALA A 177 2.564 23.221 78.287 1.00 0.13 C HETATM 1250 CB ALA A 177 3.721 22.435 78.893 1.00 -0.01 C HETATM 1251 CG ALA A 177 4.318 21.589 77.781 1.00 -0.04 C HETATM 1252 CD ALA A 177 5.541 20.794 78.219 1.00 -0.01 C HETATM 1253 CE ALA A 177 6.729 21.702 78.516 1.00 -0.03 C HETATM 1254 NZ ALA A 177 8.013 21.050 78.284 1.00 0.22 N HETATM 1255 CM ALA A 177 8.084 19.757 78.946 1.00 -0.04 C HETATM 1256 H40 ALA A 177 9.064 19.297 78.749 1.00 0.08 H HETATM 1257 H41 ALA A 177 7.288 19.103 78.560 1.00 0.08 H HETATM 1258 H42 ALA A 177 7.954 19.892 80.030 1.00 0.08 H HETATM 1259 H38 ALA A 177 8.749 21.640 78.639 1.00 0.20 H HETATM 1260 H39 ALA A 177 8.138 20.917 77.293 1.00 0.20 H HETATM 1261 H36 ALA A 177 6.678 22.013 79.570 1.00 0.08 H HETATM 1262 H37 ALA A 177 6.664 22.589 77.869 1.00 0.08 H HETATM 1263 H34 ALA A 177 5.819 20.096 77.416 1.00 0.03 H HETATM 1264 H35 ALA A 177 5.290 20.227 79.127 1.00 0.03 H HETATM 1265 H32 ALA A 177 4.611 22.254 76.955 1.00 0.03 H HETATM 1266 H33 ALA A 177 3.551 20.884 77.429 1.00 0.03 H HETATM 1267 H30 ALA A 177 3.354 21.788 79.704 1.00 0.03 H HETATM 1268 H31 ALA A 177 4.479 23.126 79.290 1.00 0.03 H HETATM 1269 C ALA A 177 1.485 22.293 77.720 1.00 0.20 C HETATM 1270 O ALA A 177 1.408 22.090 76.489 1.00 -0.39 O HETATM 1271 N ALA A 177 0.688 21.701 78.593 1.00 -0.26 N HETATM 1272 CA ALA A 177 -0.326 20.781 78.137 1.00 0.13 C HETATM 1273 C ALA A 177 -1.350 21.470 77.237 1.00 0.20 C HETATM 1274 O ALA A 177 -1.662 20.965 76.160 1.00 -0.39 O HETATM 1275 N ALA A 177 -1.896 22.612 77.655 1.00 -0.26 N HETATM 1276 CA ALA A 177 -2.890 23.251 76.799 1.00 0.16 C HETATM 1277 C ALA A 177 -2.251 23.789 75.530 1.00 0.21 C HETATM 1278 O ALA A 177 -2.875 23.770 74.467 1.00 -0.39 O HETATM 1279 N ALA A 177 -0.998 24.232 75.608 1.00 -0.26 N HETATM 1280 CA ALA A 177 -0.321 24.734 74.423 1.00 0.13 C HETATM 1281 C ALA A 177 -0.082 23.623 73.412 1.00 0.20 C HETATM 1282 O ALA A 177 -0.217 23.839 72.202 1.00 -0.39 O HETATM 1283 N ALA A 177 0.289 22.437 73.882 1.00 -0.26 N HETATM 1284 CA ALA A 177 0.438 21.297 72.985 1.00 0.13 C HETATM 1285 C ALA A 177 -0.858 21.023 72.252 1.00 0.20 C HETATM 1286 O ALA A 177 -0.859 20.751 71.047 1.00 -0.39 O HETATM 1287 N ALA A 177 -1.973 21.078 72.973 1.00 -0.26 N HETATM 1288 CA ALA A 177 -3.255 20.695 72.405 1.00 0.13 C HETATM 1289 C ALA A 177 -3.771 21.718 71.412 1.00 0.20 C HETATM 1290 O ALA A 177 -4.542 21.364 70.517 1.00 -0.39 O HETATM 1291 N ALA A 177 -3.389 22.981 71.552 1.00 -0.26 N HETATM 1292 CA ALA A 177 -3.901 24.008 70.657 1.00 0.15 C HETATM 1293 C ALA A 177 -2.946 24.320 69.518 1.00 0.21 C HETATM 1294 O ALA A 177 -3.320 25.051 68.595 1.00 -0.39 O HETATM 1295 N ALA A 177 -1.739 23.773 69.558 1.00 -0.26 N HETATM 1296 CA ALA A 177 -0.754 23.919 68.495 1.00 0.16 C HETATM 1297 C ALA A 177 -0.483 22.529 67.922 1.00 0.21 C HETATM 1298 O ALA A 177 0.596 21.960 68.109 1.00 -0.39 O HETATM 1299 N ALA A 177 -1.479 21.975 67.229 1.00 -0.27 N HETATM 1300 CA ALA A 177 -1.340 20.644 66.666 1.00 0.12 C HETATM 1301 C ALA A 177 -0.478 20.576 65.424 1.00 0.20 C HETATM 1302 O ALA A 177 0.012 19.493 65.081 1.00 -0.39 O HETATM 1303 N ALA A 177 -0.272 21.705 64.751 1.00 -0.27 N HETATM 1304 CA ALA A 177 0.447 21.725 63.489 1.00 0.12 C HETATM 1305 C ALA A 177 1.951 21.585 63.620 1.00 0.20 C HETATM 1306 O ALA A 177 2.655 21.503 62.614 1.00 -0.39 O HETATM 1307 N ALA A 177 2.444 21.548 64.856 1.00 -0.26 N HETATM 1308 CA ALA A 177 3.865 21.462 65.112 1.00 0.13 C HETATM 1309 CB ALA A 177 4.324 21.825 66.539 1.00 -0.01 C HETATM 1310 CG ALA A 177 5.826 21.798 66.700 1.00 -0.05 C HETATM 1311 CD ALA A 177 6.240 22.573 67.932 1.00 -0.03 C HETATM 1312 CE ALA A 177 7.752 22.442 68.115 1.00 0.03 C HETATM 1313 NZ ALA A 177 8.544 23.351 67.334 1.00 -0.29 N HETATM 1314 CH ALA A 177 8.721 24.693 67.610 1.00 0.17 C HETATM 1315 OH ALA A 177 8.191 25.268 68.571 1.00 -0.40 O HETATM 1316 CH3 ALA A 177 9.601 25.479 66.685 1.00 0.03 C HETATM 1317 H107 ALA A 177 9.985 24.818 65.894 1.00 0.05 H HETATM 1318 H108 ALA A 177 10.444 25.901 67.251 1.00 0.05 H HETATM 1319 H109 ALA A 177 9.020 26.295 66.231 1.00 0.05 H HETATM 1320 H110 ALA A 177 9.004 22.983 66.526 1.00 0.18 H HETATM 1321 H111 ALA A 177 7.982 22.616 69.177 1.00 0.05 H HETATM 1322 H112 ALA A 177 8.040 21.417 67.840 1.00 0.05 H HETATM 1323 H113 ALA A 177 5.974 23.633 67.808 1.00 0.03 H HETATM 1324 H114 ALA A 177 5.725 22.166 68.814 1.00 0.03 H HETATM 1325 H115 ALA A 177 6.161 20.755 66.799 1.00 0.03 H HETATM 1326 H116 ALA A 177 6.293 22.251 65.813 1.00 0.03 H HETATM 1327 H117 ALA A 177 3.964 22.837 66.776 1.00 0.03 H HETATM 1328 H118 ALA A 177 3.883 21.104 67.243 1.00 0.03 H HETATM 1329 C ALA A 177 4.309 20.040 64.819 1.00 0.20 C HETATM 1330 O ALA A 177 3.766 19.045 65.309 1.00 -0.39 O HETATM 1331 N ALA A 177 5.329 19.944 63.968 1.00 -0.27 N HETATM 1332 CA ALA A 177 5.874 18.655 63.542 1.00 0.09 C HETATM 1333 C ALA A 177 6.086 17.731 64.734 1.00 0.06 C HETATM 1334 O ALA A 177 6.809 18.069 65.670 1.00 -0.57 O HETATM 1335 OXT ALA A 177 5.538 16.631 64.781 1.00 -0.57 O HETATM 1336 CB ALA A 177 7.189 18.857 62.794 1.00 -0.03 C HETATM 1337 H123 ALA A 177 7.586 17.880 62.480 1.00 0.03 H HETATM 1338 H124 ALA A 177 7.915 19.353 63.456 1.00 0.03 H HETATM 1339 H125 ALA A 177 7.014 19.483 61.907 1.00 0.03 H HETATM 1340 H122 ALA A 177 5.152 18.182 62.860 1.00 0.07 H HETATM 1341 H121 ALA A 177 5.737 20.783 63.607 1.00 0.19 H HETATM 1342 H119 ALA A 177 4.370 22.149 64.417 1.00 0.08 H HETATM 1343 H120 ALA A 177 1.813 21.581 65.631 1.00 0.19 H HETATM 1344 H105 ALA A 177 0.233 22.680 62.987 1.00 0.08 H HETATM 1345 H106 ALA A 177 0.077 20.894 62.870 1.00 0.08 H HETATM 1346 H104 ALA A 177 -0.622 22.564 65.124 1.00 0.19 H HETATM 1347 H102 ALA A 177 -2.343 20.273 66.409 1.00 0.08 H HETATM 1348 H103 ALA A 177 -0.893 19.992 67.431 1.00 0.08 H HETATM 1349 H101 ALA A 177 -2.331 22.482 67.096 1.00 0.19 H HETATM 1350 CB ALA A 177 0.524 24.563 69.050 1.00 0.09 C HETATM 1351 OG1 ALA A 177 1.221 23.609 69.863 1.00 -0.39 O HETATM 1352 H97 ALA A 177 1.449 22.852 69.336 1.00 0.21 H HETATM 1353 CG2 ALA A 177 0.189 25.801 69.890 1.00 -0.03 C HETATM 1354 H98 ALA A 177 1.119 26.244 70.276 1.00 0.03 H HETATM 1355 H99 ALA A 177 -0.456 25.509 70.732 1.00 0.03 H HETATM 1356 H100 ALA A 177 -0.336 26.538 69.264 1.00 0.03 H HETATM 1357 H96 ALA A 177 1.168 24.864 68.210 1.00 0.06 H HETATM 1358 H95 ALA A 177 -1.160 24.565 67.702 1.00 0.08 H HETATM 1359 H94 ALA A 177 -1.492 23.231 70.361 1.00 0.19 H HETATM 1360 CB ALA A 177 -4.229 25.285 71.433 1.00 0.08 C HETATM 1361 OG ALA A 177 -3.076 25.802 72.062 1.00 -0.39 O HETATM 1362 H93 ALA A 177 -2.730 25.156 72.667 1.00 0.21 H HETATM 1363 H91 ALA A 177 -4.985 25.057 72.198 1.00 0.06 H HETATM 1364 H92 ALA A 177 -4.627 26.038 70.737 1.00 0.06 H HETATM 1365 H90 ALA A 177 -4.834 23.628 70.216 1.00 0.08 H HETATM 1366 H89 ALA A 177 -2.746 23.229 72.276 1.00 0.19 H HETATM 1367 CB ALA A 177 -4.284 20.513 73.515 1.00 -0.01 C HETATM 1368 CG ALA A 177 -3.994 19.347 74.413 1.00 -0.04 C HETATM 1369 CD ALA A 177 -4.988 19.308 75.533 1.00 -0.01 C HETATM 1370 CE ALA A 177 -4.812 18.062 76.345 1.00 -0.04 C HETATM 1371 NZ ALA A 177 -5.678 18.113 77.535 1.00 0.22 N HETATM 1372 H86 ALA A 177 -5.555 17.272 78.077 1.00 0.20 H HETATM 1373 H87 ALA A 177 -6.641 18.189 77.247 1.00 0.20 H HETATM 1374 H88 ALA A 177 -5.431 18.913 78.096 1.00 0.20 H HETATM 1375 H84 ALA A 177 -3.762 17.978 76.662 1.00 0.08 H HETATM 1376 H85 ALA A 177 -5.082 17.188 75.735 1.00 0.08 H HETATM 1377 H82 ALA A 177 -6.005 19.328 75.115 1.00 0.03 H HETATM 1378 H83 ALA A 177 -4.840 20.186 76.180 1.00 0.03 H HETATM 1379 H80 ALA A 177 -2.981 19.449 74.828 1.00 0.03 H HETATM 1380 H81 ALA A 177 -4.061 18.415 73.833 1.00 0.03 H HETATM 1381 H78 ALA A 177 -5.271 20.360 73.054 1.00 0.03 H HETATM 1382 H79 ALA A 177 -4.303 21.427 74.126 1.00 0.03 H HETATM 1383 H77 ALA A 177 -3.126 19.737 71.880 1.00 0.08 H HETATM 1384 H76 ALA A 177 -1.929 21.388 73.923 1.00 0.19 H HETATM 1385 CB ALA A 177 0.797 20.062 73.798 1.00 -0.01 C HETATM 1386 CG ALA A 177 2.141 19.498 73.522 1.00 -0.02 C HETATM 1387 CD ALA A 177 2.316 18.241 74.285 1.00 0.06 C HETATM 1388 NE ALA A 177 3.689 18.067 74.721 1.00 -0.27 N HETATM 1389 CZ ALA A 177 4.076 17.905 75.984 1.00 0.29 C HETATM 1390 NH1 ALA A 177 3.199 17.889 76.980 1.00 -0.28 N HETATM 1391 H72 ALA A 177 3.523 17.762 77.950 1.00 0.26 H HETATM 1392 H73 ALA A 177 2.194 18.003 76.784 1.00 0.26 H HETATM 1393 NH2 ALA A 177 5.363 17.744 76.247 1.00 -0.28 N HETATM 1394 H74 ALA A 177 6.051 17.755 75.480 1.00 0.26 H HETATM 1395 H75 ALA A 177 5.677 17.608 77.219 1.00 0.26 H HETATM 1396 H71 ALA A 177 4.421 18.069 73.996 1.00 0.26 H HETATM 1397 H69 ALA A 177 2.035 17.392 73.644 1.00 0.07 H HETATM 1398 H70 ALA A 177 1.661 18.266 75.169 1.00 0.07 H HETATM 1399 H67 ALA A 177 2.912 20.222 73.826 1.00 0.03 H HETATM 1400 H68 ALA A 177 2.237 19.290 72.446 1.00 0.03 H HETATM 1401 H65 ALA A 177 0.050 19.284 73.584 1.00 0.03 H HETATM 1402 H66 ALA A 177 0.752 20.330 74.864 1.00 0.03 H HETATM 1403 H64 ALA A 177 1.235 21.508 72.257 1.00 0.08 H HETATM 1404 H63 ALA A 177 0.468 22.325 74.859 1.00 0.19 H HETATM 1405 CB ALA A 177 0.988 25.380 74.847 1.00 -0.02 C HETATM 1406 H60 ALA A 177 1.511 25.765 73.959 1.00 0.03 H HETATM 1407 H61 ALA A 177 1.620 24.633 75.350 1.00 0.03 H HETATM 1408 H62 ALA A 177 0.780 26.210 75.538 1.00 0.03 H HETATM 1409 H59 ALA A 177 -0.956 25.498 73.951 1.00 0.08 H HETATM 1410 H58 ALA A 177 -0.520 24.220 76.486 1.00 0.19 H HETATM 1411 CB ALA A 177 -3.675 24.342 77.546 1.00 0.09 C HETATM 1412 OG1 ALA A 177 -2.824 25.459 77.827 1.00 -0.39 O HETATM 1413 H54 ALA A 177 -2.493 25.817 77.011 1.00 0.21 H HETATM 1414 CG2 ALA A 177 -4.286 23.794 78.837 1.00 -0.03 C HETATM 1415 H55 ALA A 177 -4.840 24.595 79.349 1.00 0.03 H HETATM 1416 H56 ALA A 177 -3.485 23.425 79.494 1.00 0.03 H HETATM 1417 H57 ALA A 177 -4.973 22.969 78.596 1.00 0.03 H HETATM 1418 H53 ALA A 177 -4.494 24.684 76.896 1.00 0.06 H HETATM 1419 H52 ALA A 177 -3.612 22.477 76.501 1.00 0.08 H HETATM 1420 H51 ALA A 177 -1.632 23.019 78.530 1.00 0.19 H HETATM 1421 CB ALA A 177 -1.000 20.130 79.336 1.00 0.00 C HETATM 1422 CG ALA A 177 -2.088 19.126 78.984 1.00 0.04 C HETATM 1423 CD ALA A 177 -2.590 18.354 80.204 1.00 0.17 C HETATM 1424 OE1 ALA A 177 -1.829 17.668 80.871 1.00 -0.40 O HETATM 1425 NE2 ALA A 177 -3.888 18.442 80.470 1.00 -0.30 N HETATM 1426 H49 ALA A 177 -4.271 17.957 81.256 1.00 0.18 H HETATM 1427 H50 ALA A 177 -4.482 18.993 79.884 1.00 0.18 H HETATM 1428 H47 ALA A 177 -1.683 18.409 78.255 1.00 0.05 H HETATM 1429 H48 ALA A 177 -2.935 19.666 78.536 1.00 0.05 H HETATM 1430 H45 ALA A 177 -1.452 20.924 79.949 1.00 0.03 H HETATM 1431 H46 ALA A 177 -0.229 19.609 79.922 1.00 0.03 H HETATM 1432 H44 ALA A 177 0.166 19.993 77.547 1.00 0.08 H HETATM 1433 H43 ALA A 177 0.788 21.891 79.570 1.00 0.19 H HETATM 1434 H29 ALA A 177 2.950 23.859 77.478 1.00 0.08 H HETATM 1435 H28 ALA A 177 2.376 24.064 80.225 1.00 0.19 H HETATM 1436 CB ALA A 177 -0.288 24.508 81.164 1.00 0.09 C HETATM 1437 OG1 ALA A 177 -1.167 23.624 80.457 1.00 -0.39 O HETATM 1438 H24 ALA A 177 -1.518 22.979 81.060 1.00 0.21 H HETATM 1439 CG2 ALA A 177 -1.022 25.191 82.320 1.00 -0.03 C HETATM 1440 H25 ALA A 177 -1.413 24.427 83.008 1.00 0.03 H HETATM 1441 H26 ALA A 177 -1.856 25.789 81.923 1.00 0.03 H HETATM 1442 H27 ALA A 177 -0.325 25.848 82.860 1.00 0.03 H HETATM 1443 H23 ALA A 177 0.547 23.924 81.578 1.00 0.06 H HETATM 1444 H22 ALA A 177 1.026 26.146 80.703 1.00 0.08 H HETATM 1445 H21 ALA A 177 -1.577 26.001 79.236 1.00 0.19 H HETATM 1446 CB ALA A 177 -0.682 28.956 77.549 1.00 -0.01 C HETATM 1447 CG ALA A 177 -1.441 29.675 76.455 1.00 -0.02 C HETATM 1448 CD ALA A 177 -0.481 30.101 75.386 1.00 0.06 C HETATM 1449 NE ALA A 177 0.478 31.038 75.945 1.00 -0.27 N HETATM 1450 CZ ALA A 177 1.766 31.068 75.628 1.00 0.29 C HETATM 1451 NH1 ALA A 177 2.282 30.209 74.755 1.00 -0.28 N HETATM 1452 H17 ALA A 177 3.285 30.250 74.523 1.00 0.26 H HETATM 1453 H18 ALA A 177 1.679 29.502 74.310 1.00 0.26 H HETATM 1454 NH2 ALA A 177 2.559 31.961 76.187 1.00 -0.28 N HETATM 1455 H19 ALA A 177 2.178 32.635 76.866 1.00 0.26 H HETATM 1456 H20 ALA A 177 3.560 31.984 75.945 1.00 0.26 H HETATM 1457 H16 ALA A 177 0.136 31.724 76.633 1.00 0.26 H HETATM 1458 H14 ALA A 177 -1.034 30.586 74.568 1.00 0.07 H HETATM 1459 H15 ALA A 177 0.051 29.220 74.998 1.00 0.07 H HETATM 1460 H12 ALA A 177 -1.940 30.561 76.875 1.00 0.03 H HETATM 1461 H13 ALA A 177 -2.194 28.999 76.025 1.00 0.03 H HETATM 1462 H10 ALA A 177 -0.219 28.059 77.111 1.00 0.03 H HETATM 1463 H11 ALA A 177 0.104 29.630 77.920 1.00 0.03 H HETATM 1464 H9 ALA A 177 -2.356 27.882 78.384 1.00 0.08 H HETATM 1465 H8 ALA A 177 -1.475 30.453 79.610 1.00 0.19 H HETATM 1466 CB ALA A 177 -3.353 30.976 81.922 1.00 -0.00 C HETATM 1467 H5 ALA A 177 -2.272 30.788 82.001 1.00 0.03 H HETATM 1468 H6 ALA A 177 -3.904 30.162 82.416 1.00 0.03 H HETATM 1469 H7 ALA A 177 -3.595 31.932 82.410 1.00 0.03 H HETATM 1470 H4 ALA A 177 -3.208 31.872 79.987 1.00 0.11 H HETATM 1471 H1 ALA A 177 -5.452 32.160 80.788 1.00 0.20 H HETATM 1472 H2 ALA A 177 -5.731 30.538 80.746 1.00 0.20 H HETATM 1473 H3 ALA A 177 -5.456 31.363 79.348 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 82 81 1060 CONECT 110 109 1060 CONECT 283 282 1061 CONECT 305 304 1061 CONECT 348 347 350 1060 CONECT 374 373 1060 CONECT 562 561 1061 CONECT 588 587 1061 CONECT 616 615 1062 CONECT 641 640 1062 CONECT 751 750 1063 CONECT 776 775 1063 CONECT 829 828 831 1062 CONECT 862 861 1062 CONECT 980 979 1063 CONECT 1007 1006 1063 CONECT 1060 82 110 348 374 CONECT 1061 283 305 562 588 CONECT 1062 616 641 829 862 CONECT 1063 751 776 980 1007 CONECT 1236 1237 1471 1472 1473 CONECT 1237 1236 1238 1466 1470 CONECT 1238 1237 1239 1240 CONECT 1239 1238 CONECT 1240 1238 1241 1465 CONECT 1241 1240 1242 1446 1464 CONECT 1242 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 1245 1445 CONECT 1245 1244 1246 1436 1444 CONECT 1246 1245 1247 1248 CONECT 1247 1246 CONECT 1248 1246 1249 1435 CONECT 1249 1248 1250 1269 1434 CONECT 1250 1249 1251 1267 1268 CONECT 1251 1250 1252 1265 1266 CONECT 1252 1251 1253 1263 1264 CONECT 1253 1252 1254 1261 1262 CONECT 1254 1253 1255 1259 1260 CONECT 1255 1254 1256 1257 1258 CONECT 1256 1255 CONECT 1257 1255 CONECT 1258 1255 CONECT 1259 1254 CONECT 1260 1254 CONECT 1261 1253 CONECT 1262 1253 CONECT 1263 1252 CONECT 1264 1252 CONECT 1265 1251 CONECT 1266 1251 CONECT 1267 1250 CONECT 1268 1250 CONECT 1269 1249 1270 1271 CONECT 1270 1269 CONECT 1271 1269 1272 1433 CONECT 1272 1271 1273 1421 1432 CONECT 1273 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 1276 1420 CONECT 1276 1275 1277 1411 1419 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1410 CONECT 1280 1279 1281 1405 1409 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1404 CONECT 1284 1283 1285 1385 1403 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1384 CONECT 1288 1287 1289 1367 1383 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1366 CONECT 1292 1291 1293 1360 1365 CONECT 1293 1292 1294 1295 CONECT 1294 1293 CONECT 1295 1293 1296 1359 CONECT 1296 1295 1297 1350 1358 CONECT 1297 1296 1298 1299 CONECT 1298 1297 CONECT 1299 1297 1300 1349 CONECT 1300 1299 1301 1347 1348 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1346 CONECT 1304 1303 1305 1344 1345 CONECT 1305 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1343 CONECT 1308 1307 1309 1329 1342 CONECT 1309 1308 1310 1327 1328 CONECT 1310 1309 1311 1325 1326 CONECT 1311 1310 1312 1323 1324 CONECT 1312 1311 1313 1321 1322 CONECT 1313 1312 1314 1320 CONECT 1314 1313 1315 1316 CONECT 1315 1314 CONECT 1316 1314 1317 1318 1319 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1316 CONECT 1320 1313 CONECT 1321 1312 CONECT 1322 1312 CONECT 1323 1311 CONECT 1324 1311 CONECT 1325 1310 CONECT 1326 1310 CONECT 1327 1309 CONECT 1328 1309 CONECT 1329 1308 1330 1331 CONECT 1330 1329 CONECT 1331 1329 1332 1341 CONECT 1332 1331 1333 1336 1340 CONECT 1333 1332 1334 1335 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1332 1337 1338 1339 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1336 CONECT 1340 1332 CONECT 1341 1331 CONECT 1342 1308 CONECT 1343 1307 CONECT 1344 1304 CONECT 1345 1304 CONECT 1346 1303 CONECT 1347 1300 CONECT 1348 1300 CONECT 1349 1299 CONECT 1350 1296 1351 1353 1357 CONECT 1351 1350 1352 CONECT 1352 1351 CONECT 1353 1350 1354 1355 1356 CONECT 1354 1353 CONECT 1355 1353 CONECT 1356 1353 CONECT 1357 1350 CONECT 1358 1296 CONECT 1359 1295 CONECT 1360 1292 1361 1363 1364 CONECT 1361 1360 1362 CONECT 1362 1361 CONECT 1363 1360 CONECT 1364 1360 CONECT 1365 1292 CONECT 1366 1291 CONECT 1367 1288 1368 1381 1382 CONECT 1368 1367 1369 1379 1380 CONECT 1369 1368 1370 1377 1378 CONECT 1370 1369 1371 1375 1376 CONECT 1371 1370 1372 1373 1374 CONECT 1372 1371 CONECT 1373 1371 CONECT 1374 1371 CONECT 1375 1370 CONECT 1376 1370 CONECT 1377 1369 CONECT 1378 1369 CONECT 1379 1368 CONECT 1380 1368 CONECT 1381 1367 CONECT 1382 1367 CONECT 1383 1288 CONECT 1384 1287 CONECT 1385 1284 1386 1401 1402 CONECT 1386 1385 1387 1399 1400 CONECT 1387 1386 1388 1397 1398 CONECT 1388 1387 1389 1396 CONECT 1389 1388 1390 1393 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1389 1394 1395 CONECT 1394 1393 CONECT 1395 1393 CONECT 1396 1388 CONECT 1397 1387 CONECT 1398 1387 CONECT 1399 1386 CONECT 1400 1386 CONECT 1401 1385 CONECT 1402 1385 CONECT 1403 1284 CONECT 1404 1283 CONECT 1405 1280 1406 1407 1408 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1405 CONECT 1409 1280 CONECT 1410 1279 CONECT 1411 1276 1412 1414 1418 CONECT 1412 1411 1413 CONECT 1413 1412 CONECT 1414 1411 1415 1416 1417 CONECT 1415 1414 CONECT 1416 1414 CONECT 1417 1414 CONECT 1418 1411 CONECT 1419 1276 CONECT 1420 1275 CONECT 1421 1272 1422 1430 1431 CONECT 1422 1421 1423 1428 1429 CONECT 1423 1422 1424 1425 CONECT 1424 1423 CONECT 1425 1423 1426 1427 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1422 CONECT 1429 1422 CONECT 1430 1421 CONECT 1431 1421 CONECT 1432 1272 CONECT 1433 1271 CONECT 1434 1249 CONECT 1435 1248 CONECT 1436 1245 1437 1439 1443 CONECT 1437 1436 1438 CONECT 1438 1437 CONECT 1439 1436 1440 1441 1442 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1439 CONECT 1443 1436 CONECT 1444 1245 CONECT 1445 1244 CONECT 1446 1241 1447 1462 1463 CONECT 1447 1446 1448 1460 1461 CONECT 1448 1447 1449 1458 1459 CONECT 1449 1448 1450 1457 CONECT 1450 1449 1451 1454 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 CONECT 1454 1450 1455 1456 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1449 CONECT 1458 1448 CONECT 1459 1448 CONECT 1460 1447 CONECT 1461 1447 CONECT 1462 1446 CONECT 1463 1446 CONECT 1464 1241 CONECT 1465 1240 CONECT 1466 1237 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1237 CONECT 1471 1236 CONECT 1472 1236 CONECT 1473 1236 MASTER 0 0 0 0 0 0 0 0 1472 1 262 9 END
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Entry Information
PDB ID
5szc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Zinc finger protein DPF3
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
1.19(Å)
Affinity (Kd/Ki/IC50)
Kd=20.4uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat. Genet. Vol. 50: pp. 73-82
Ligand Properties
Formula
C
6
6
H
1
2
6
N
2
5
O
2
2
Molecular Weight
1621.860
Exact Mass
1620.950
No. of atoms
239
No. of bonds
238
Polar Surface Area
801.72
LOGP Value
-8.66 (
Computed with XLOGP3
)
-10.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 76
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCCNC(=O)C)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH2+]C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C66H121N25O22/c1-32(68)52(100)83-43(21-16-28-77-66(72)73)58(106)91-51(37(6)95)63(111)87-41(19-10-13-25-74-8)55(103)86-44(22-23-46(69)97)59(107)90-50(36(5)94)62(110)80-33(2)53(101)84-42(20-15-27-76-65(70)71)56(104)85-40(17-9-12-24-67)57(105)88-45(31-92)60(108)89-49(35(4)93)61(109)79-29-47(98)78-30-48(99)82-39(18-11-14-26-75-38(7)96)54(102)81-34(3)64(112)113/h32-37,39-45,49-51,74,92-95H,9-31,67-68H2,1-8H3,(H2,69,97)(H,75,96)(H,78,98)(H,79,109)(H,80,110)(H,81,102)(H,82,99)(H,83,100)(H,84,101)(H,85,104)(H,86,103)(H,87,111)(H,88,105)(H,89,108)(H,90,107)(H,91,106)(H,112,113)(H4,70,71,76)(H4,72,73,77)/p+5/t32-,33-,34-,35+,36+,37+,39-,40-,41-,42-,43-,44-,45-,49-,50-,51-/m0/s1
Links to External Databases
RCSB PDB
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UniProtKB AC
UniProt accession number (AC):
Q92784
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
8110
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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