Browse entries in the PDBbind-CN Database
HEADER 3ZVY_COMPLEX COMPND 3ZVY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 66 PRO SER CYS LYS HIS CYS LYS ASP ASP VAL ASN ARG LEU SEQRES 2 B 66 CYS ARG VAL CYS ALA CYS HIS LEU CYS GLY GLY ARG GLN SEQRES 3 B 66 ASP PRO ASP LYS GLN LEU MET CYS ASP GLU CYS ASP MET SEQRES 4 B 66 ALA PHE HIS ILE TYR CYS LEU ASP PRO PRO LEU SER SER SEQRES 5 B 66 VAL PRO SER GLU ASP GLU TRP TYR CYS PRO GLU CYS ARG SEQRES 6 B 66 ASN HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 106 90 ATOM 1 N PRO B 300 16.597 16.646 171.256 1.00 79.39 N ATOM 2 CA PRO B 300 17.373 16.160 170.110 1.00 74.55 C ATOM 3 C PRO B 300 16.487 15.503 169.065 1.00 74.08 C ATOM 4 O PRO B 300 15.788 14.539 169.383 1.00 74.30 O ATOM 5 CB PRO B 300 18.298 15.117 170.743 1.00 71.17 C ATOM 6 CG PRO B 300 18.517 15.626 172.118 1.00 78.28 C ATOM 7 CD PRO B 300 17.213 16.262 172.539 1.00 83.54 C ATOM 8 HA PRO B 300 17.895 16.963 169.590 1.00 0.00 H ATOM 9 HD3 PRO B 300 16.586 15.551 173.077 1.00 0.00 H ATOM 10 HD2 PRO B 300 17.388 17.136 173.166 1.00 0.00 H ATOM 11 HG3 PRO B 300 19.319 16.364 172.126 1.00 0.00 H ATOM 12 HG2 PRO B 300 18.773 14.806 172.789 1.00 0.00 H ATOM 13 HB2 PRO B 300 17.822 14.137 170.763 1.00 0.00 H ATOM 14 HB3 PRO B 300 19.240 15.051 170.198 1.00 0.00 H ATOM 15 N SER B 301 16.511 16.022 167.839 1.00 72.59 N ATOM 16 CA SER B 301 15.766 15.413 166.747 1.00 66.43 C ATOM 17 C SER B 301 16.294 14.004 166.504 1.00 63.60 C ATOM 18 O SER B 301 15.523 13.046 166.444 1.00 66.64 O ATOM 19 CB SER B 301 15.868 16.256 165.471 1.00 67.48 C ATOM 20 HA SER B 301 14.713 15.363 167.022 1.00 0.00 H ATOM 21 HB2 SER B 301 15.461 17.249 165.660 1.00 0.00 H ATOM 22 HB3 SER B 301 16.914 16.341 165.176 1.00 0.00 H ATOM 23 H SER B 301 17.073 16.879 167.658 1.00 0.00 H ATOM 24 N CYS B 302 17.614 13.877 166.382 1.00 54.76 N ATOM 25 CA CYS B 302 18.229 12.572 166.144 1.00 51.70 C ATOM 26 C CYS B 302 19.012 12.049 167.346 1.00 46.74 C ATOM 27 O CYS B 302 20.002 12.650 167.764 1.00 46.23 O ATOM 28 CB CYS B 302 19.140 12.627 164.922 1.00 51.86 C ATOM 29 SG CYS B 302 19.835 11.022 164.501 1.00 43.99 S ATOM 30 HA CYS B 302 17.409 11.875 165.967 1.00 0.00 H ATOM 31 HB2 CYS B 302 19.957 13.318 165.127 1.00 0.00 H ATOM 32 HB3 CYS B 302 18.562 12.991 164.072 1.00 0.00 H ATOM 33 HG CYS B 302 20.644 11.150 163.391 1.00 0.00 H ATOM 34 H CYS B 302 18.218 14.720 166.457 1.00 0.00 H ATOM 35 N LYS B 303 18.566 10.920 167.895 1.00 43.36 N ATOM 36 CA LYS B 303 19.194 10.337 169.074 1.00 48.57 C ATOM 37 C LYS B 303 20.548 9.697 168.768 1.00 46.01 C ATOM 38 O LYS B 303 21.364 9.486 169.669 1.00 42.53 O ATOM 39 CB LYS B 303 18.267 9.293 169.708 1.00 58.05 C ATOM 40 CG LYS B 303 17.820 8.188 168.744 1.00 57.38 C ATOM 41 CD LYS B 303 17.087 7.068 169.479 1.00 62.40 C ATOM 42 HA LYS B 303 19.369 11.156 169.771 1.00 0.00 H ATOM 43 HB2 LYS B 303 18.793 8.828 170.542 1.00 0.00 H ATOM 44 HB3 LYS B 303 17.379 9.804 170.080 1.00 0.00 H ATOM 45 HG2 LYS B 303 17.153 8.618 167.997 1.00 0.00 H ATOM 46 HG3 LYS B 303 18.698 7.772 168.249 1.00 0.00 H ATOM 47 HD2 LYS B 303 17.750 6.629 170.224 1.00 0.00 H ATOM 48 HD3 LYS B 303 16.204 7.475 169.971 1.00 0.00 H ATOM 49 H LYS B 303 17.746 10.441 167.470 1.00 0.00 H ATOM 50 N HIS B 304 20.782 9.381 167.498 1.00 44.37 N ATOM 51 CA HIS B 304 21.999 8.682 167.121 1.00 43.99 C ATOM 52 C HIS B 304 23.193 9.633 167.182 1.00 45.34 C ATOM 53 O HIS B 304 24.223 9.302 167.772 1.00 49.25 O ATOM 54 CB HIS B 304 21.843 7.989 165.749 1.00 40.72 C ATOM 55 CG HIS B 304 20.721 6.981 165.698 1.00 51.21 C ATOM 56 ND1 HIS B 304 20.866 5.671 166.106 1.00 48.99 N ATOM 57 CD2 HIS B 304 19.434 7.094 165.283 1.00 59.14 C ATOM 58 CE1 HIS B 304 19.729 5.020 165.941 1.00 42.40 C ATOM 59 NE2 HIS B 304 18.840 5.862 165.448 1.00 52.22 N ATOM 60 HA HIS B 304 22.190 7.884 167.838 1.00 0.00 H ATOM 61 HB2 HIS B 304 21.652 8.755 164.997 1.00 0.00 H ATOM 62 HB3 HIS B 304 22.776 7.477 165.515 1.00 0.00 H ATOM 63 HD2 HIS B 304 18.958 7.993 164.892 1.00 0.00 H ATOM 64 HE1 HIS B 304 19.555 3.969 166.172 1.00 0.00 H ATOM 65 H HIS B 304 20.087 9.637 166.767 1.00 0.00 H ATOM 66 N CYS B 305 23.038 10.834 166.624 1.00 43.19 N ATOM 67 CA CYS B 305 24.122 11.829 166.628 1.00 37.54 C ATOM 68 C CYS B 305 23.865 13.057 167.508 1.00 44.28 C ATOM 69 O CYS B 305 24.707 13.957 167.580 1.00 42.15 O ATOM 70 CB CYS B 305 24.396 12.308 165.204 1.00 34.01 C ATOM 71 SG CYS B 305 23.088 13.372 164.559 1.00 40.25 S ATOM 72 HA CYS B 305 24.980 11.310 167.055 1.00 0.00 H ATOM 73 HB2 CYS B 305 24.488 11.437 164.555 1.00 0.00 H ATOM 74 HB3 CYS B 305 25.333 12.865 165.198 1.00 0.00 H ATOM 75 HG CYS B 305 23.406 13.762 163.274 1.00 0.00 H ATOM 76 H CYS B 305 22.130 11.073 166.176 1.00 0.00 H ATOM 77 N LYS B 306 22.703 13.103 168.156 1.00 49.70 N ATOM 78 CA LYS B 306 22.331 14.239 168.998 1.00 51.42 C ATOM 79 C LYS B 306 22.490 15.564 168.244 1.00 54.06 C ATOM 80 O LYS B 306 22.840 16.594 168.825 1.00 52.43 O ATOM 81 CB LYS B 306 23.152 14.236 170.289 1.00 54.40 C ATOM 82 CG LYS B 306 23.093 12.913 171.057 1.00 51.64 C ATOM 83 HA LYS B 306 21.278 14.138 169.262 1.00 0.00 H ATOM 84 HB2 LYS B 306 24.192 14.440 170.035 1.00 0.00 H ATOM 85 HB3 LYS B 306 22.776 15.027 170.938 1.00 0.00 H ATOM 86 HG2 LYS B 306 22.060 12.699 171.330 1.00 0.00 H ATOM 87 HG3 LYS B 306 23.478 12.111 170.427 1.00 0.00 H ATOM 88 H LYS B 306 22.040 12.307 168.061 1.00 0.00 H ATOM 89 N ASP B 307 22.235 15.520 166.939 1.00 47.68 N ATOM 90 CA ASP B 307 22.271 16.707 166.086 1.00 56.93 C ATOM 91 C ASP B 307 23.606 17.446 166.108 1.00 53.59 C ATOM 92 O ASP B 307 23.638 18.652 165.907 1.00 63.04 O ATOM 93 CB ASP B 307 21.127 17.669 166.440 1.00 60.26 C ATOM 94 CG ASP B 307 19.762 16.999 166.381 1.00 66.08 C ATOM 95 OD1 ASP B 307 19.659 15.893 165.807 1.00 64.14 O ATOM 96 OD2 ASP B 307 18.787 17.572 166.910 1.00 68.80 O ATOM 97 HA ASP B 307 22.141 16.340 165.068 1.00 0.00 H ATOM 98 HB2 ASP B 307 21.288 18.047 167.450 1.00 0.00 H ATOM 99 HB3 ASP B 307 21.139 18.501 165.736 1.00 0.00 H ATOM 100 H ASP B 307 22.000 14.603 166.508 1.00 0.00 H ATOM 101 N ASP B 308 24.701 16.725 166.341 1.00 43.90 N ATOM 102 CA ASP B 308 26.039 17.323 166.305 1.00 51.62 C ATOM 103 C ASP B 308 26.499 17.450 164.846 1.00 52.83 C ATOM 104 O ASP B 308 26.744 16.444 164.188 1.00 47.37 O ATOM 105 CB ASP B 308 27.026 16.459 167.109 1.00 52.74 C ATOM 106 CG ASP B 308 28.421 17.072 167.196 1.00 59.40 C ATOM 107 OD1 ASP B 308 28.706 18.044 166.464 1.00 58.32 O ATOM 108 OD2 ASP B 308 29.242 16.570 167.994 1.00 64.08 O ATOM 109 HA ASP B 308 26.007 18.315 166.756 1.00 0.00 H ATOM 110 HB2 ASP B 308 26.637 16.336 168.120 1.00 0.00 H ATOM 111 HB3 ASP B 308 27.104 15.483 166.630 1.00 0.00 H ATOM 112 H ASP B 308 24.605 15.712 166.554 1.00 0.00 H ATOM 113 N VAL B 309 26.616 18.674 164.335 1.00 49.60 N ATOM 114 CA VAL B 309 26.948 18.848 162.911 1.00 56.15 C ATOM 115 C VAL B 309 28.347 18.373 162.523 1.00 52.97 C ATOM 116 O VAL B 309 28.617 18.155 161.346 1.00 58.95 O ATOM 117 CB VAL B 309 26.791 20.305 162.434 1.00 63.35 C ATOM 118 CG1 VAL B 309 25.320 20.693 162.373 1.00 68.14 C ATOM 119 CG2 VAL B 309 27.596 21.247 163.331 1.00 59.35 C ATOM 120 HA VAL B 309 26.220 18.209 162.412 1.00 0.00 H ATOM 121 HB VAL B 309 27.190 20.393 161.424 1.00 0.00 H ATOM 122 HG11 VAL B 309 24.801 20.035 161.677 1.00 0.00 H ATOM 123 HG12 VAL B 309 24.878 20.596 163.365 1.00 0.00 H ATOM 124 HG13 VAL B 309 25.232 21.725 162.034 1.00 0.00 H ATOM 125 HG21 VAL B 309 27.235 21.167 164.356 1.00 0.00 H ATOM 126 HG22 VAL B 309 28.650 20.971 163.293 1.00 0.00 H ATOM 127 HG23 VAL B 309 27.475 22.272 162.981 1.00 0.00 H ATOM 128 H VAL B 309 26.473 19.507 164.941 1.00 0.00 H ATOM 129 N ASN B 310 29.237 18.224 163.499 1.00 50.08 N ATOM 130 CA ASN B 310 30.580 17.747 163.201 1.00 49.73 C ATOM 131 C ASN B 310 30.676 16.232 163.331 1.00 49.96 C ATOM 132 O ASN B 310 31.754 15.638 163.225 1.00 49.07 O ATOM 133 CB ASN B 310 31.610 18.462 164.065 1.00 54.52 C ATOM 134 CG ASN B 310 31.626 19.962 163.809 1.00 66.52 C ATOM 135 OD1 ASN B 310 30.879 20.469 162.964 1.00 71.42 O ATOM 136 ND2 ASN B 310 32.471 20.679 164.538 1.00 68.14 N ATOM 137 HA ASN B 310 30.802 17.986 162.161 1.00 0.00 H ATOM 138 HB2 ASN B 310 31.373 18.286 165.114 1.00 0.00 H ATOM 139 HB3 ASN B 310 32.597 18.056 163.844 1.00 0.00 H ATOM 140 HD22 ASN B 310 33.081 20.210 165.238 1.00 0.00 H ATOM 141 HD21 ASN B 310 32.523 21.710 164.410 1.00 0.00 H ATOM 142 H ASN B 310 28.973 18.449 164.479 1.00 0.00 H ATOM 143 N ARG B 311 29.524 15.612 163.539 1.00 46.00 N ATOM 144 CA ARG B 311 29.459 14.166 163.655 1.00 46.50 C ATOM 145 C ARG B 311 28.845 13.628 162.386 1.00 35.77 C ATOM 146 O ARG B 311 27.823 14.150 161.942 1.00 40.77 O ATOM 147 CB ARG B 311 28.576 13.776 164.838 1.00 52.68 C ATOM 148 CG ARG B 311 28.796 12.362 165.342 1.00 64.98 C ATOM 149 CD ARG B 311 28.147 12.150 166.706 1.00 73.02 C ATOM 150 NE ARG B 311 28.562 10.887 167.305 1.00 77.39 N ATOM 151 CZ ARG B 311 28.183 9.694 166.858 1.00 80.20 C ATOM 152 NH1 ARG B 311 27.385 9.600 165.800 1.00 81.50 N ATOM 153 NH2 ARG B 311 28.610 8.596 167.462 1.00 83.58 N ATOM 154 HA ARG B 311 30.458 13.758 163.810 1.00 0.00 H ATOM 155 HB2 ARG B 311 28.778 14.466 165.657 1.00 0.00 H ATOM 156 HB3 ARG B 311 27.534 13.872 164.533 1.00 0.00 H ATOM 157 HG2 ARG B 311 28.363 11.660 164.630 1.00 0.00 H ATOM 158 HG3 ARG B 311 29.867 12.178 165.426 1.00 0.00 H ATOM 159 HD2 ARG B 311 27.064 12.146 166.586 1.00 0.00 H ATOM 160 HD3 ARG B 311 28.436 12.967 167.367 1.00 0.00 H ATOM 161 HE ARG B 311 29.192 10.922 168.132 1.00 0.00 H ATOM 162 HH12 ARG B 311 27.090 8.665 165.453 1.00 0.00 H ATOM 163 HH11 ARG B 311 27.055 10.461 165.319 1.00 0.00 H ATOM 164 HH22 ARG B 311 28.314 7.662 167.113 1.00 0.00 H ATOM 165 HH21 ARG B 311 29.241 8.667 168.285 1.00 0.00 H ATOM 166 H ARG B 311 28.651 16.171 163.621 1.00 0.00 H ATOM 167 N LEU B 312 29.464 12.596 161.810 1.00 39.11 N ATOM 168 CA LEU B 312 28.851 11.839 160.721 1.00 38.05 C ATOM 169 C LEU B 312 27.608 11.166 161.275 1.00 41.84 C ATOM 170 O LEU B 312 27.596 10.701 162.419 1.00 40.59 O ATOM 171 CB LEU B 312 29.772 10.726 160.236 1.00 48.61 C ATOM 172 CG LEU B 312 31.151 10.948 159.630 1.00 55.94 C ATOM 173 CD1 LEU B 312 31.702 9.580 159.189 1.00 51.59 C ATOM 174 CD2 LEU B 312 31.065 11.907 158.467 1.00 61.06 C ATOM 175 HA LEU B 312 28.638 12.521 159.898 1.00 0.00 H ATOM 176 HB2 LEU B 312 29.932 10.081 161.100 1.00 0.00 H ATOM 177 HB3 LEU B 312 29.204 10.184 159.480 1.00 0.00 H ATOM 178 HG LEU B 312 31.824 11.392 160.363 1.00 0.00 H ATOM 179 HD21 LEU B 312 30.404 11.494 157.705 1.00 0.00 H ATOM 180 HD22 LEU B 312 30.670 12.862 158.814 1.00 0.00 H ATOM 181 HD23 LEU B 312 32.059 12.055 158.045 1.00 0.00 H ATOM 182 HD11 LEU B 312 31.772 8.922 160.055 1.00 0.00 H ATOM 183 HD12 LEU B 312 31.032 9.141 158.450 1.00 0.00 H ATOM 184 HD13 LEU B 312 32.691 9.712 158.751 1.00 0.00 H ATOM 185 H LEU B 312 30.410 12.323 162.146 1.00 0.00 H ATOM 186 N CYS B 313 26.563 11.090 160.467 1.00 32.90 N ATOM 187 CA CYS B 313 25.391 10.329 160.870 1.00 35.19 C ATOM 188 C CYS B 313 24.682 9.733 159.680 1.00 31.25 C ATOM 189 O CYS B 313 24.131 10.453 158.843 1.00 32.04 O ATOM 190 CB CYS B 313 24.396 11.168 161.675 1.00 30.29 C ATOM 191 SG CYS B 313 23.132 10.106 162.407 1.00 38.05 S ATOM 192 HA CYS B 313 25.763 9.529 161.509 1.00 0.00 H ATOM 193 HB2 CYS B 313 23.919 11.893 161.015 1.00 0.00 H ATOM 194 HB3 CYS B 313 24.927 11.695 162.468 1.00 0.00 H ATOM 195 HG CYS B 313 22.245 10.879 163.128 1.00 0.00 H ATOM 196 H CYS B 313 26.580 11.573 159.546 1.00 0.00 H ATOM 197 N ARG B 314 24.677 8.409 159.622 1.00 30.26 N ATOM 198 CA ARG B 314 24.041 7.716 158.518 1.00 35.23 C ATOM 199 C ARG B 314 22.534 7.596 158.742 1.00 38.53 C ATOM 200 O ARG B 314 21.803 7.149 157.866 1.00 40.65 O ATOM 201 CB ARG B 314 24.710 6.362 158.292 1.00 34.25 C ATOM 202 CG ARG B 314 26.149 6.484 157.768 1.00 36.35 C ATOM 203 CD ARG B 314 26.833 5.120 157.717 1.00 44.48 C ATOM 204 NE ARG B 314 28.096 5.131 156.979 1.00 48.45 N ATOM 205 CZ ARG B 314 29.252 5.591 157.453 1.00 57.51 C ATOM 206 NH1 ARG B 314 29.328 6.107 158.674 1.00 59.20 N ATOM 207 NH2 ARG B 314 30.340 5.544 156.699 1.00 59.68 N ATOM 208 HA ARG B 314 24.172 8.300 157.607 1.00 0.00 H ATOM 209 HB2 ARG B 314 24.729 5.821 159.238 1.00 0.00 H ATOM 210 HB3 ARG B 314 24.122 5.800 157.566 1.00 0.00 H ATOM 211 HG2 ARG B 314 26.128 6.910 156.765 1.00 0.00 H ATOM 212 HG3 ARG B 314 26.714 7.141 158.429 1.00 0.00 H ATOM 213 HD2 ARG B 314 26.158 4.412 157.236 1.00 0.00 H ATOM 214 HD3 ARG B 314 27.032 4.794 158.738 1.00 0.00 H ATOM 215 HE ARG B 314 28.091 4.751 156.011 1.00 0.00 H ATOM 216 HH12 ARG B 314 30.237 6.463 159.032 1.00 0.00 H ATOM 217 HH11 ARG B 314 28.478 6.155 159.272 1.00 0.00 H ATOM 218 HH22 ARG B 314 31.244 5.903 157.067 1.00 0.00 H ATOM 219 HH21 ARG B 314 30.290 5.148 155.739 1.00 0.00 H ATOM 220 H ARG B 314 25.135 7.860 160.377 1.00 0.00 H ATOM 221 N VAL B 315 22.064 8.048 159.902 1.00 35.65 N ATOM 222 CA VAL B 315 20.632 8.006 160.196 1.00 36.98 C ATOM 223 C VAL B 315 19.896 9.262 159.740 1.00 39.89 C ATOM 224 O VAL B 315 18.867 9.175 159.064 1.00 44.11 O ATOM 225 CB VAL B 315 20.352 7.758 161.701 1.00 44.89 C ATOM 226 CG1 VAL B 315 18.876 7.928 161.996 1.00 43.26 C ATOM 227 CG2 VAL B 315 20.817 6.367 162.098 1.00 44.13 C ATOM 228 HA VAL B 315 20.247 7.163 159.623 1.00 0.00 H ATOM 229 HB VAL B 315 20.907 8.490 162.287 1.00 0.00 H ATOM 230 HG11 VAL B 315 18.570 8.942 161.739 1.00 0.00 H ATOM 231 HG12 VAL B 315 18.304 7.213 161.404 1.00 0.00 H ATOM 232 HG13 VAL B 315 18.696 7.751 163.056 1.00 0.00 H ATOM 233 HG21 VAL B 315 20.281 5.624 161.507 1.00 0.00 H ATOM 234 HG22 VAL B 315 21.888 6.277 161.914 1.00 0.00 H ATOM 235 HG23 VAL B 315 20.615 6.206 163.157 1.00 0.00 H ATOM 236 H VAL B 315 22.723 8.436 160.608 1.00 0.00 H ATOM 237 N CYS B 316 20.421 10.430 160.098 1.00 37.06 N ATOM 238 CA CYS B 316 19.776 11.682 159.713 1.00 39.64 C ATOM 239 C CYS B 316 20.498 12.457 158.597 1.00 38.60 C ATOM 240 O CYS B 316 20.032 13.514 158.171 1.00 39.82 O ATOM 241 CB CYS B 316 19.569 12.574 160.937 1.00 40.39 C ATOM 242 SG CYS B 316 21.060 13.340 161.593 1.00 40.89 S ATOM 243 HA CYS B 316 18.812 11.397 159.292 1.00 0.00 H ATOM 244 HB2 CYS B 316 19.128 11.966 161.726 1.00 0.00 H ATOM 245 HB3 CYS B 316 18.875 13.368 160.661 1.00 0.00 H ATOM 246 HG CYS B 316 20.734 14.113 162.689 1.00 0.00 H ATOM 247 H CYS B 316 21.298 10.452 160.657 1.00 0.00 H ATOM 248 N ALA B 317 21.645 11.955 158.149 1.00 31.69 N ATOM 249 CA ALA B 317 22.308 12.526 156.975 1.00 31.40 C ATOM 250 C ALA B 317 22.470 11.448 155.921 1.00 26.28 C ATOM 251 O ALA B 317 21.724 10.452 155.919 1.00 29.95 O ATOM 252 CB ALA B 317 23.670 13.154 157.343 1.00 32.12 C ATOM 253 HA ALA B 317 21.688 13.329 156.576 1.00 0.00 H ATOM 254 HB1 ALA B 317 23.517 13.948 158.074 1.00 0.00 H ATOM 255 HB2 ALA B 317 24.319 12.388 157.768 1.00 0.00 H ATOM 256 HB3 ALA B 317 24.132 13.567 156.447 1.00 0.00 H ATOM 257 H ALA B 317 22.077 11.146 158.639 1.00 0.00 H ATOM 258 N CYS B 318 23.422 11.628 155.007 1.00 26.15 N ATOM 259 CA CYS B 318 23.592 10.641 153.946 1.00 26.34 C ATOM 260 C CYS B 318 23.783 9.262 154.537 1.00 30.14 C ATOM 261 O CYS B 318 24.671 9.032 155.366 1.00 29.88 O ATOM 262 CB CYS B 318 24.759 10.970 153.014 1.00 22.45 C ATOM 263 SG CYS B 318 25.035 9.664 151.776 1.00 25.59 S ATOM 264 HA CYS B 318 22.682 10.665 153.347 1.00 0.00 H ATOM 265 HB2 CYS B 318 25.664 11.086 153.611 1.00 0.00 H ATOM 266 HB3 CYS B 318 24.544 11.905 152.497 1.00 0.00 H ATOM 267 HG CYS B 318 26.096 10.016 150.967 1.00 0.00 H ATOM 268 H CYS B 318 24.039 12.464 155.049 1.00 0.00 H ATOM 269 N HIS B 319 22.943 8.340 154.105 1.00 27.89 N ATOM 270 CA HIS B 319 22.923 7.001 154.682 1.00 30.67 C ATOM 271 C HIS B 319 24.176 6.186 154.339 1.00 34.09 C ATOM 272 O HIS B 319 24.495 5.188 154.999 1.00 28.53 O ATOM 273 CB HIS B 319 21.676 6.267 154.196 1.00 28.00 C ATOM 274 CG HIS B 319 21.406 5.004 154.938 1.00 29.34 C ATOM 275 ND1 HIS B 319 21.367 4.956 156.316 1.00 33.02 N ATOM 276 CD2 HIS B 319 21.171 3.744 154.507 1.00 29.82 C ATOM 277 CE1 HIS B 319 21.115 3.715 156.701 1.00 37.51 C ATOM 278 NE2 HIS B 319 20.983 2.964 155.622 1.00 35.13 N ATOM 279 HA HIS B 319 22.907 7.110 155.766 1.00 0.00 H ATOM 280 HB2 HIS B 319 20.817 6.928 154.315 1.00 0.00 H ATOM 281 HB3 HIS B 319 21.805 6.027 153.141 1.00 0.00 H ATOM 282 HD2 HIS B 319 21.137 3.410 153.470 1.00 0.00 H ATOM 283 HE1 HIS B 319 21.031 3.371 157.732 1.00 0.00 H ATOM 284 H HIS B 319 22.282 8.573 153.337 1.00 0.00 H ATOM 285 N LEU B 320 24.886 6.617 153.305 1.00 28.03 N ATOM 286 CA LEU B 320 26.089 5.928 152.843 1.00 30.00 C ATOM 287 C LEU B 320 27.349 6.516 153.468 1.00 35.82 C ATOM 288 O LEU B 320 28.215 5.783 153.944 1.00 32.03 O ATOM 289 CB LEU B 320 26.173 5.987 151.306 1.00 29.01 C ATOM 290 CG LEU B 320 25.100 5.129 150.641 1.00 29.73 C ATOM 291 CD1 LEU B 320 25.019 5.358 149.111 1.00 30.97 C ATOM 292 CD2 LEU B 320 25.376 3.664 150.967 1.00 36.69 C ATOM 293 HA LEU B 320 26.022 4.887 153.159 1.00 0.00 H ATOM 294 HB2 LEU B 320 26.046 7.021 150.986 1.00 0.00 H ATOM 295 HB3 LEU B 320 27.154 5.629 150.993 1.00 0.00 H ATOM 296 HG LEU B 320 24.127 5.421 151.037 1.00 0.00 H ATOM 297 HD21 LEU B 320 26.360 3.388 150.588 1.00 0.00 H ATOM 298 HD22 LEU B 320 25.348 3.522 152.047 1.00 0.00 H ATOM 299 HD23 LEU B 320 24.616 3.039 150.498 1.00 0.00 H ATOM 300 HD11 LEU B 320 24.783 6.404 148.913 1.00 0.00 H ATOM 301 HD12 LEU B 320 25.978 5.109 148.656 1.00 0.00 H ATOM 302 HD13 LEU B 320 24.240 4.722 148.691 1.00 0.00 H ATOM 303 H LEU B 320 24.576 7.475 152.806 1.00 0.00 H ATOM 304 N CYS B 321 27.462 7.842 153.485 1.00 26.21 N ATOM 305 CA CYS B 321 28.692 8.429 154.011 1.00 31.43 C ATOM 306 C CYS B 321 28.516 9.152 155.341 1.00 29.08 C ATOM 307 O CYS B 321 29.498 9.503 155.978 1.00 27.46 O ATOM 308 CB CYS B 321 29.331 9.387 153.007 1.00 27.40 C ATOM 309 SG CYS B 321 28.513 10.993 152.855 1.00 28.15 S ATOM 310 HA CYS B 321 29.349 7.577 154.187 1.00 0.00 H ATOM 311 HB2 CYS B 321 29.320 8.908 152.028 1.00 0.00 H ATOM 312 HB3 CYS B 321 30.362 9.560 153.314 1.00 0.00 H ATOM 313 HG CYS B 321 27.208 10.806 152.448 1.00 0.00 H ATOM 314 H CYS B 321 26.693 8.446 153.132 1.00 0.00 H ATOM 315 N GLY B 322 27.273 9.414 155.722 1.00 31.18 N ATOM 316 CA GLY B 322 26.986 10.119 156.963 1.00 31.63 C ATOM 317 C GLY B 322 27.176 11.623 156.870 1.00 32.31 C ATOM 318 O GLY B 322 27.084 12.328 157.880 1.00 30.10 O ATOM 319 HA3 GLY B 322 27.649 9.736 157.738 1.00 0.00 H ATOM 320 HA2 GLY B 322 25.951 9.919 157.241 1.00 0.00 H ATOM 321 H GLY B 322 26.483 9.108 155.119 1.00 0.00 H ATOM 322 N GLY B 323 27.435 12.132 155.668 1.00 26.02 N ATOM 323 CA GLY B 323 27.709 13.559 155.513 1.00 24.20 C ATOM 324 C GLY B 323 26.447 14.384 155.359 1.00 26.40 C ATOM 325 O GLY B 323 25.468 13.893 154.813 1.00 26.39 O ATOM 326 HA3 GLY B 323 28.329 13.701 154.628 1.00 0.00 H ATOM 327 HA2 GLY B 323 28.249 13.908 156.393 1.00 0.00 H ATOM 328 H GLY B 323 27.442 11.511 154.834 1.00 0.00 H ATOM 329 N ARG B 324 26.473 15.629 155.839 1.00 24.00 N ATOM 330 CA ARG B 324 25.306 16.506 155.827 1.00 30.48 C ATOM 331 C ARG B 324 25.348 17.525 154.704 1.00 34.83 C ATOM 332 O ARG B 324 24.371 18.245 154.486 1.00 27.78 O ATOM 333 CB ARG B 324 25.195 17.265 157.157 1.00 34.32 C ATOM 334 CG ARG B 324 25.172 16.368 158.387 1.00 33.43 C ATOM 335 CD ARG B 324 25.206 17.190 159.674 1.00 38.55 C ATOM 336 NE ARG B 324 25.426 16.298 160.798 1.00 42.38 N ATOM 337 CZ ARG B 324 24.460 15.619 161.401 1.00 41.11 C ATOM 338 NH1 ARG B 324 23.199 15.746 161.002 1.00 41.76 N ATOM 339 NH2 ARG B 324 24.756 14.816 162.406 1.00 37.25 N ATOM 340 HA ARG B 324 24.442 15.859 155.673 1.00 0.00 H ATOM 341 HB2 ARG B 324 26.049 17.937 157.240 1.00 0.00 H ATOM 342 HB3 ARG B 324 24.275 17.849 157.142 1.00 0.00 H ATOM 343 HG2 ARG B 324 24.262 15.768 158.372 1.00 0.00 H ATOM 344 HG3 ARG B 324 26.040 15.709 158.363 1.00 0.00 H ATOM 345 HD2 ARG B 324 24.257 17.711 159.801 1.00 0.00 H ATOM 346 HD3 ARG B 324 26.015 17.919 159.621 1.00 0.00 H ATOM 347 HE ARG B 324 26.398 16.185 161.151 1.00 0.00 H ATOM 348 HH12 ARG B 324 22.446 15.210 161.479 1.00 0.00 H ATOM 349 HH11 ARG B 324 22.965 16.381 160.212 1.00 0.00 H ATOM 350 HH22 ARG B 324 24.003 14.281 162.883 1.00 0.00 H ATOM 351 HH21 ARG B 324 25.742 14.719 162.721 1.00 0.00 H ATOM 352 H ARG B 324 27.363 15.990 156.239 1.00 0.00 H ATOM 353 N GLN B 325 26.477 17.594 154.001 1.00 32.39 N ATOM 354 CA GLN B 325 26.674 18.600 152.960 1.00 32.55 C ATOM 355 C GLN B 325 25.787 18.317 151.734 1.00 26.01 C ATOM 356 O GLN B 325 25.289 17.203 151.558 1.00 25.52 O ATOM 357 CB GLN B 325 28.164 18.665 152.558 1.00 33.92 C ATOM 358 CG GLN B 325 28.629 17.562 151.550 1.00 36.74 C ATOM 359 CD GLN B 325 29.000 16.206 152.176 1.00 42.69 C ATOM 360 OE1 GLN B 325 28.809 15.978 153.383 1.00 35.01 O ATOM 361 NE2 GLN B 325 29.551 15.297 151.343 1.00 31.34 N ATOM 362 HA GLN B 325 26.378 19.569 153.362 1.00 0.00 H ATOM 363 HB2 GLN B 325 28.349 19.638 152.103 1.00 0.00 H ATOM 364 HB3 GLN B 325 28.763 18.569 153.464 1.00 0.00 H ATOM 365 HG2 GLN B 325 27.820 17.394 150.839 1.00 0.00 H ATOM 366 HG3 GLN B 325 29.504 17.938 151.020 1.00 0.00 H ATOM 367 HE22 GLN B 325 29.693 15.530 150.339 1.00 0.00 H ATOM 368 HE21 GLN B 325 29.834 14.364 151.705 1.00 0.00 H ATOM 369 H GLN B 325 27.239 16.914 154.198 1.00 0.00 H ATOM 370 N ASP B 326 25.593 19.328 150.895 1.00 28.09 N ATOM 371 CA ASP B 326 24.844 19.168 149.646 1.00 27.94 C ATOM 372 C ASP B 326 23.459 18.533 149.812 1.00 28.70 C ATOM 373 O ASP B 326 23.163 17.526 149.167 1.00 26.81 O ATOM 374 CB ASP B 326 25.661 18.322 148.671 1.00 27.63 C ATOM 375 CG ASP B 326 27.015 18.938 148.365 1.00 28.87 C ATOM 376 OD1 ASP B 326 27.086 20.171 148.239 1.00 28.19 O ATOM 377 OD2 ASP B 326 28.016 18.201 148.293 1.00 32.14 O ATOM 378 HA ASP B 326 24.677 20.176 149.267 1.00 0.00 H ATOM 379 HB2 ASP B 326 25.815 17.335 149.108 1.00 0.00 H ATOM 380 HB3 ASP B 326 25.103 18.223 147.740 1.00 0.00 H ATOM 381 H ASP B 326 25.985 20.262 151.132 1.00 0.00 H ATOM 382 N PRO B 327 22.606 19.110 150.673 1.00 29.51 N ATOM 383 CA PRO B 327 21.259 18.544 150.821 1.00 27.35 C ATOM 384 C PRO B 327 20.471 18.612 149.506 1.00 29.58 C ATOM 385 O PRO B 327 19.519 17.853 149.313 1.00 30.96 O ATOM 386 CB PRO B 327 20.610 19.446 151.882 1.00 32.65 C ATOM 387 CG PRO B 327 21.404 20.710 151.853 1.00 36.67 C ATOM 388 CD PRO B 327 22.811 20.281 151.544 1.00 35.88 C ATOM 389 HA PRO B 327 21.278 17.490 151.098 1.00 0.00 H ATOM 390 HD3 PRO B 327 23.357 21.068 151.024 1.00 0.00 H ATOM 391 HD2 PRO B 327 23.348 20.007 152.452 1.00 0.00 H ATOM 392 HG3 PRO B 327 21.360 21.212 152.819 1.00 0.00 H ATOM 393 HG2 PRO B 327 21.029 21.380 151.079 1.00 0.00 H ATOM 394 HB2 PRO B 327 19.567 19.642 151.632 1.00 0.00 H ATOM 395 HB3 PRO B 327 20.665 18.981 152.866 1.00 0.00 H ATOM 396 N ASP B 328 20.866 19.525 148.623 1.00 29.48 N ATOM 397 CA ASP B 328 20.263 19.648 147.297 1.00 34.72 C ATOM 398 C ASP B 328 20.607 18.441 146.415 1.00 34.17 C ATOM 399 O ASP B 328 19.965 18.200 145.398 1.00 27.75 O ATOM 400 CB ASP B 328 20.719 20.949 146.628 1.00 36.39 C ATOM 401 CG ASP B 328 22.240 21.096 146.604 1.00 44.87 C ATOM 402 OD1 ASP B 328 22.877 20.975 147.670 1.00 44.59 O ATOM 403 OD2 ASP B 328 22.805 21.356 145.522 1.00 54.12 O ATOM 404 HA ASP B 328 19.180 19.673 147.418 1.00 0.00 H ATOM 405 HB2 ASP B 328 20.351 20.962 145.602 1.00 0.00 H ATOM 406 HB3 ASP B 328 20.295 21.791 147.176 1.00 0.00 H ATOM 407 H ASP B 328 21.633 20.176 148.886 1.00 0.00 H ATOM 408 N LYS B 329 21.619 17.674 146.817 1.00 25.52 N ATOM 409 CA LYS B 329 22.017 16.492 146.071 1.00 23.87 C ATOM 410 C LYS B 329 21.754 15.213 146.868 1.00 27.41 C ATOM 411 O LYS B 329 22.232 14.143 146.500 1.00 27.07 O ATOM 412 CB LYS B 329 23.496 16.573 145.677 1.00 24.53 C ATOM 413 CG LYS B 329 23.791 17.684 144.668 1.00 33.24 C ATOM 414 CD LYS B 329 25.295 17.876 144.448 1.00 36.19 C ATOM 415 CE LYS B 329 25.562 19.063 143.516 1.00 41.49 C ATOM 416 NZ LYS B 329 27.013 19.381 143.330 1.00 36.47 N ATOM 417 HA LYS B 329 21.412 16.457 145.165 1.00 0.00 H ATOM 418 HB2 LYS B 329 24.085 16.756 146.576 1.00 0.00 H ATOM 419 HB3 LYS B 329 23.791 15.619 145.239 1.00 0.00 H ATOM 420 HG2 LYS B 329 23.326 17.428 143.716 1.00 0.00 H ATOM 421 HG3 LYS B 329 23.367 18.618 145.038 1.00 0.00 H ATOM 422 HD2 LYS B 329 25.776 18.060 145.409 1.00 0.00 H ATOM 423 HD3 LYS B 329 25.710 16.972 144.003 1.00 0.00 H ATOM 424 HE2 LYS B 329 25.069 19.942 143.931 1.00 0.00 H ATOM 425 HE3 LYS B 329 25.134 18.835 142.540 1.00 0.00 H ATOM 426 HZ1 LYS B 329 27.437 19.613 144.251 1.00 0.00 H ATOM 427 HZ2 LYS B 329 27.498 18.556 142.922 1.00 0.00 H ATOM 428 HZ3 LYS B 329 27.109 20.194 142.688 1.00 0.00 H ATOM 429 H LYS B 329 22.136 17.926 147.684 1.00 0.00 H ATOM 430 N GLN B 330 20.996 15.316 147.952 1.00 25.29 N ATOM 431 CA GLN B 330 20.648 14.134 148.715 1.00 23.66 C ATOM 432 C GLN B 330 19.251 13.684 148.344 1.00 25.98 C ATOM 433 O GLN B 330 18.275 14.372 148.650 1.00 31.16 O ATOM 434 CB GLN B 330 20.716 14.412 150.213 1.00 25.64 C ATOM 435 CG GLN B 330 22.118 14.707 150.753 1.00 25.76 C ATOM 436 CD GLN B 330 22.090 14.939 152.257 1.00 36.27 C ATOM 437 OE1 GLN B 330 21.346 14.277 152.971 1.00 40.03 O ATOM 438 NE2 GLN B 330 22.878 15.894 152.736 1.00 35.25 N ATOM 439 HA GLN B 330 21.364 13.347 148.478 1.00 0.00 H ATOM 440 HB2 GLN B 330 20.083 15.273 150.427 1.00 0.00 H ATOM 441 HB3 GLN B 330 20.328 13.539 150.737 1.00 0.00 H ATOM 442 HG2 GLN B 330 22.769 13.860 150.535 1.00 0.00 H ATOM 443 HG3 GLN B 330 22.508 15.599 150.262 1.00 0.00 H ATOM 444 HE22 GLN B 330 23.494 16.431 152.093 1.00 0.00 H ATOM 445 HE21 GLN B 330 22.879 16.105 153.754 1.00 0.00 H ATOM 446 H GLN B 330 20.650 16.249 148.255 1.00 0.00 H ATOM 447 N LEU B 331 19.161 12.522 147.697 1.00 27.18 N ATOM 448 CA LEU B 331 17.880 11.918 147.356 1.00 27.21 C ATOM 449 C LEU B 331 17.236 11.284 148.591 1.00 30.60 C ATOM 450 O LEU B 331 17.889 10.559 149.344 1.00 28.45 O ATOM 451 CB LEU B 331 18.050 10.847 146.267 1.00 30.28 C ATOM 452 CG LEU B 331 18.793 11.256 144.990 1.00 33.60 C ATOM 453 CD1 LEU B 331 18.695 10.172 143.899 1.00 30.43 C ATOM 454 CD2 LEU B 331 18.263 12.579 144.468 1.00 34.24 C ATOM 455 HA LEU B 331 17.233 12.710 146.978 1.00 0.00 H ATOM 456 HB2 LEU B 331 18.594 10.013 146.710 1.00 0.00 H ATOM 457 HB3 LEU B 331 17.054 10.515 145.975 1.00 0.00 H ATOM 458 HG LEU B 331 19.846 11.372 145.247 1.00 0.00 H ATOM 459 HD21 LEU B 331 17.201 12.481 144.244 1.00 0.00 H ATOM 460 HD22 LEU B 331 18.406 13.350 145.225 1.00 0.00 H ATOM 461 HD23 LEU B 331 18.803 12.853 143.561 1.00 0.00 H ATOM 462 HD11 LEU B 331 19.134 9.245 144.269 1.00 0.00 H ATOM 463 HD12 LEU B 331 17.648 10.005 143.648 1.00 0.00 H ATOM 464 HD13 LEU B 331 19.235 10.502 143.011 1.00 0.00 H ATOM 465 H LEU B 331 20.036 12.029 147.426 1.00 0.00 H ATOM 466 N MET B 332 15.942 11.526 148.773 1.00 30.33 N ATOM 467 CA MET B 332 15.200 10.904 149.857 1.00 32.29 C ATOM 468 C MET B 332 14.448 9.693 149.311 1.00 34.01 C ATOM 469 O MET B 332 13.678 9.803 148.353 1.00 33.38 O ATOM 470 CB MET B 332 14.214 11.900 150.468 1.00 27.68 C ATOM 471 CG MET B 332 14.826 13.254 150.800 1.00 32.77 C ATOM 472 SD MET B 332 16.166 13.071 151.997 1.00 41.54 S ATOM 473 CE MET B 332 15.351 12.235 153.348 1.00 43.06 C ATOM 474 HA MET B 332 15.894 10.587 150.636 1.00 0.00 H ATOM 475 HB2 MET B 332 13.401 12.056 149.759 1.00 0.00 H ATOM 476 HB3 MET B 332 13.816 11.469 151.387 1.00 0.00 H ATOM 477 HG2 MET B 332 14.056 13.902 151.220 1.00 0.00 H ATOM 478 HG3 MET B 332 15.219 13.703 149.888 1.00 0.00 H ATOM 479 HE1 MET B 332 14.532 12.854 153.716 1.00 0.00 H ATOM 480 HE2 MET B 332 14.958 11.280 152.999 1.00 0.00 H ATOM 481 HE3 MET B 332 16.067 12.062 154.152 1.00 0.00 H ATOM 482 H MET B 332 15.450 12.174 148.126 1.00 0.00 H ATOM 483 N CYS B 333 14.667 8.542 149.927 1.00 33.81 N ATOM 484 CA CYS B 333 14.022 7.327 149.489 1.00 34.78 C ATOM 485 C CYS B 333 12.527 7.387 149.753 1.00 40.05 C ATOM 486 O CYS B 333 12.088 7.683 150.867 1.00 37.37 O ATOM 487 CB CYS B 333 14.626 6.115 150.182 1.00 35.53 C ATOM 488 SG CYS B 333 13.790 4.594 149.707 1.00 41.65 S ATOM 489 HA CYS B 333 14.183 7.230 148.415 1.00 0.00 H ATOM 490 HB2 CYS B 333 14.539 6.244 151.261 1.00 0.00 H ATOM 491 HB3 CYS B 333 15.679 6.040 149.910 1.00 0.00 H ATOM 492 HG CYS B 333 14.373 3.527 150.360 1.00 0.00 H ATOM 493 H CYS B 333 15.315 8.512 150.740 1.00 0.00 H ATOM 494 N ASP B 334 11.748 7.098 148.719 1.00 36.30 N ATOM 495 CA ASP B 334 10.302 7.165 148.820 1.00 41.16 C ATOM 496 C ASP B 334 9.734 6.030 149.659 1.00 49.13 C ATOM 497 O ASP B 334 8.552 6.035 149.987 1.00 55.50 O ATOM 498 CB ASP B 334 9.666 7.196 147.424 1.00 42.83 C ATOM 499 CG ASP B 334 9.828 8.537 146.757 1.00 48.28 C ATOM 500 OD1 ASP B 334 9.576 9.549 147.431 1.00 52.92 O ATOM 501 OD2 ASP B 334 10.224 8.593 145.575 1.00 52.71 O ATOM 502 HA ASP B 334 10.051 8.093 149.334 1.00 0.00 H ATOM 503 HB2 ASP B 334 10.141 6.435 146.804 1.00 0.00 H ATOM 504 HB3 ASP B 334 8.603 6.976 147.517 1.00 0.00 H ATOM 505 H ASP B 334 12.183 6.817 147.817 1.00 0.00 H ATOM 506 N GLU B 335 10.576 5.067 150.024 1.00 49.78 N ATOM 507 CA GLU B 335 10.145 4.020 150.946 1.00 51.82 C ATOM 508 C GLU B 335 10.619 4.216 152.392 1.00 53.36 C ATOM 509 O GLU B 335 9.796 4.304 153.301 1.00 55.79 O ATOM 510 CB GLU B 335 10.548 2.638 150.441 1.00 54.81 C ATOM 511 CG GLU B 335 10.110 1.520 151.359 1.00 64.93 C ATOM 512 CD GLU B 335 9.785 0.257 150.601 1.00 77.67 C ATOM 513 OE1 GLU B 335 9.008 0.337 149.620 1.00 83.67 O ATOM 514 OE2 GLU B 335 10.313 -0.811 150.981 1.00 82.13 O ATOM 515 HA GLU B 335 9.058 4.096 150.971 1.00 0.00 H ATOM 516 HB2 GLU B 335 10.096 2.481 149.462 1.00 0.00 H ATOM 517 HB3 GLU B 335 11.634 2.605 150.348 1.00 0.00 H ATOM 518 HG2 GLU B 335 10.913 1.310 152.065 1.00 0.00 H ATOM 519 HG3 GLU B 335 9.223 1.841 151.905 1.00 0.00 H ATOM 520 H GLU B 335 11.547 5.060 149.651 1.00 0.00 H ATOM 521 N CYS B 336 11.930 4.281 152.614 1.00 50.76 N ATOM 522 CA CYS B 336 12.452 4.345 153.985 1.00 54.67 C ATOM 523 C CYS B 336 12.744 5.769 154.454 1.00 55.39 C ATOM 524 O CYS B 336 12.954 6.011 155.643 1.00 52.68 O ATOM 525 CB CYS B 336 13.708 3.487 154.135 1.00 53.74 C ATOM 526 SG CYS B 336 15.144 4.123 153.247 1.00 44.08 S ATOM 527 HA CYS B 336 11.660 3.951 154.622 1.00 0.00 H ATOM 528 HB2 CYS B 336 13.487 2.488 153.759 1.00 0.00 H ATOM 529 HB3 CYS B 336 13.958 3.428 155.194 1.00 0.00 H ATOM 530 HG CYS B 336 14.856 4.191 151.899 1.00 0.00 H ATOM 531 H CYS B 336 12.590 4.286 151.810 1.00 0.00 H ATOM 532 N ASP B 337 12.773 6.700 153.510 1.00 49.06 N ATOM 533 CA ASP B 337 13.014 8.105 153.810 1.00 49.03 C ATOM 534 C ASP B 337 14.434 8.381 154.295 1.00 42.70 C ATOM 535 O ASP B 337 14.688 9.404 154.921 1.00 43.48 O ATOM 536 CB ASP B 337 11.997 8.642 154.824 1.00 59.30 C ATOM 537 CG ASP B 337 11.737 10.133 154.654 1.00 67.31 C ATOM 538 OD1 ASP B 337 11.694 10.604 153.496 1.00 63.44 O ATOM 539 OD2 ASP B 337 11.578 10.837 155.677 1.00 74.90 O ATOM 540 HA ASP B 337 12.889 8.634 152.865 1.00 0.00 H ATOM 541 HB2 ASP B 337 11.057 8.106 154.694 1.00 0.00 H ATOM 542 HB3 ASP B 337 12.379 8.466 155.830 1.00 0.00 H ATOM 543 H ASP B 337 12.618 6.417 152.521 1.00 0.00 H ATOM 544 N MET B 338 15.361 7.479 154.006 1.00 38.35 N ATOM 545 CA MET B 338 16.772 7.790 154.229 1.00 38.19 C ATOM 546 C MET B 338 17.272 8.670 153.083 1.00 37.34 C ATOM 547 O MET B 338 16.661 8.693 152.002 1.00 33.64 O ATOM 548 CB MET B 338 17.608 6.514 154.333 1.00 34.90 C ATOM 549 CG MET B 338 17.336 5.663 155.566 1.00 43.27 C ATOM 550 SD MET B 338 17.783 6.501 157.107 1.00 45.02 S ATOM 551 CE MET B 338 16.200 7.170 157.630 1.00 48.41 C ATOM 552 HA MET B 338 16.875 8.324 155.174 1.00 0.00 H ATOM 553 HB2 MET B 338 17.407 5.905 153.451 1.00 0.00 H ATOM 554 HB3 MET B 338 18.660 6.799 154.344 1.00 0.00 H ATOM 555 HG2 MET B 338 17.915 4.742 155.489 1.00 0.00 H ATOM 556 HG3 MET B 338 16.274 5.422 155.596 1.00 0.00 H ATOM 557 HE1 MET B 338 15.823 7.849 156.865 1.00 0.00 H ATOM 558 HE2 MET B 338 15.492 6.354 157.774 1.00 0.00 H ATOM 559 HE3 MET B 338 16.328 7.712 158.567 1.00 0.00 H ATOM 560 H MET B 338 15.086 6.553 153.622 1.00 0.00 H ATOM 561 N ALA B 339 18.364 9.397 153.328 1.00 33.70 N ATOM 562 CA ALA B 339 18.954 10.318 152.352 1.00 30.58 C ATOM 563 C ALA B 339 20.190 9.694 151.741 1.00 30.08 C ATOM 564 O ALA B 339 20.906 8.966 152.416 1.00 29.59 O ATOM 565 CB ALA B 339 19.336 11.635 153.027 1.00 27.98 C ATOM 566 HA ALA B 339 18.218 10.516 151.573 1.00 0.00 H ATOM 567 HB1 ALA B 339 18.445 12.094 153.456 1.00 0.00 H ATOM 568 HB2 ALA B 339 20.062 11.440 153.816 1.00 0.00 H ATOM 569 HB3 ALA B 339 19.772 12.307 152.288 1.00 0.00 H ATOM 570 H ALA B 339 18.819 9.306 154.258 1.00 0.00 H ATOM 571 N PHE B 340 20.465 10.025 150.484 1.00 26.67 N ATOM 572 CA PHE B 340 21.608 9.472 149.762 1.00 26.12 C ATOM 573 C PHE B 340 22.179 10.525 148.824 1.00 23.58 C ATOM 574 O PHE B 340 21.485 10.967 147.912 1.00 24.74 O ATOM 575 CB PHE B 340 21.145 8.280 148.905 1.00 26.49 C ATOM 576 CG PHE B 340 20.627 7.118 149.704 1.00 25.46 C ATOM 577 CD1 PHE B 340 19.332 7.115 150.195 1.00 31.04 C ATOM 578 CD2 PHE B 340 21.439 6.023 149.962 1.00 27.33 C ATOM 579 CE1 PHE B 340 18.861 6.046 150.961 1.00 31.30 C ATOM 580 CE2 PHE B 340 20.979 4.950 150.705 1.00 29.37 C ATOM 581 CZ PHE B 340 19.689 4.964 151.217 1.00 32.33 C ATOM 582 HA PHE B 340 22.361 9.157 150.484 1.00 0.00 H ATOM 583 HB2 PHE B 340 20.350 8.622 148.242 1.00 0.00 H ATOM 584 HB3 PHE B 340 21.991 7.937 148.309 1.00 0.00 H ATOM 585 HD2 PHE B 340 22.457 6.008 149.573 1.00 0.00 H ATOM 586 HE2 PHE B 340 21.629 4.095 150.888 1.00 0.00 H ATOM 587 HZ PHE B 340 19.329 4.129 151.817 1.00 0.00 H ATOM 588 HE1 PHE B 340 17.845 6.063 151.356 1.00 0.00 H ATOM 589 HD1 PHE B 340 18.673 7.956 149.981 1.00 0.00 H ATOM 590 H PHE B 340 19.844 10.702 149.997 1.00 0.00 H ATOM 591 N HIS B 341 23.430 10.935 149.017 1.00 24.47 N ATOM 592 CA HIS B 341 24.060 11.818 148.031 1.00 21.60 C ATOM 593 C HIS B 341 24.027 11.099 146.681 1.00 23.44 C ATOM 594 O HIS B 341 24.316 9.891 146.605 1.00 23.55 O ATOM 595 CB HIS B 341 25.527 12.084 148.370 1.00 22.43 C ATOM 596 CG HIS B 341 25.754 12.990 149.544 1.00 22.02 C ATOM 597 ND1 HIS B 341 26.428 12.575 150.672 1.00 23.55 N ATOM 598 CD2 HIS B 341 25.467 14.300 149.739 1.00 22.47 C ATOM 599 CE1 HIS B 341 26.516 13.579 151.529 1.00 24.16 C ATOM 600 NE2 HIS B 341 25.941 14.637 150.986 1.00 26.42 N ATOM 601 HA HIS B 341 23.523 12.767 148.018 1.00 0.00 H ATOM 602 HB2 HIS B 341 26.003 11.127 148.584 1.00 0.00 H ATOM 603 HB3 HIS B 341 25.999 12.536 147.498 1.00 0.00 H ATOM 604 HD2 HIS B 341 24.957 14.962 149.040 1.00 0.00 H ATOM 605 HE1 HIS B 341 26.983 13.540 152.513 1.00 0.00 H ATOM 606 H HIS B 341 23.957 10.631 149.861 1.00 0.00 H ATOM 607 N ILE B 342 23.711 11.818 145.606 1.00 25.13 N ATOM 608 CA ILE B 342 23.781 11.193 144.281 1.00 24.35 C ATOM 609 C ILE B 342 25.178 10.666 144.008 1.00 25.48 C ATOM 610 O ILE B 342 25.345 9.648 143.337 1.00 29.56 O ATOM 611 CB ILE B 342 23.384 12.159 143.151 1.00 25.05 C ATOM 612 CG1 ILE B 342 24.272 13.409 143.180 1.00 25.14 C ATOM 613 CG2 ILE B 342 21.897 12.510 143.253 1.00 23.48 C ATOM 614 CD1 ILE B 342 23.859 14.482 142.189 1.00 29.18 C ATOM 615 HA ILE B 342 23.066 10.371 144.294 1.00 0.00 H ATOM 616 HB ILE B 342 23.541 11.670 142.189 1.00 0.00 H ATOM 617 HG12 ILE B 342 24.233 13.835 144.183 1.00 0.00 H ATOM 618 HG13 ILE B 342 25.295 13.108 142.954 1.00 0.00 H ATOM 619 HD11 ILE B 342 23.904 14.078 141.178 1.00 0.00 H ATOM 620 HD12 ILE B 342 22.841 14.804 142.408 1.00 0.00 H ATOM 621 HD13 ILE B 342 24.536 15.332 142.272 1.00 0.00 H ATOM 622 HG21 ILE B 342 21.304 11.600 143.170 1.00 0.00 H ATOM 623 HG22 ILE B 342 21.702 12.985 144.214 1.00 0.00 H ATOM 624 HG23 ILE B 342 21.630 13.194 142.447 1.00 0.00 H ATOM 625 H ILE B 342 23.418 12.811 145.705 1.00 0.00 H ATOM 626 N TYR B 343 26.190 11.351 144.527 1.00 26.60 N ATOM 627 CA TYR B 343 27.555 10.936 144.266 1.00 28.21 C ATOM 628 C TYR B 343 28.065 9.804 145.177 1.00 26.59 C ATOM 629 O TYR B 343 29.177 9.299 144.980 1.00 25.91 O ATOM 630 CB TYR B 343 28.488 12.146 144.269 1.00 29.42 C ATOM 631 CG TYR B 343 28.367 13.092 145.463 1.00 26.40 C ATOM 632 CD1 TYR B 343 28.728 12.687 146.739 1.00 27.41 C ATOM 633 CD2 TYR B 343 27.945 14.411 145.291 1.00 24.84 C ATOM 634 CE1 TYR B 343 28.656 13.566 147.820 1.00 23.95 C ATOM 635 CE2 TYR B 343 27.854 15.287 146.358 1.00 26.41 C ATOM 636 CZ TYR B 343 28.217 14.850 147.628 1.00 24.66 C ATOM 637 OH TYR B 343 28.156 15.714 148.694 1.00 29.30 O ATOM 638 HA TYR B 343 27.554 10.494 143.270 1.00 0.00 H ATOM 639 HB3 TYR B 343 28.287 12.723 143.366 1.00 0.00 H ATOM 640 HB2 TYR B 343 29.513 11.776 144.241 1.00 0.00 H ATOM 641 HD2 TYR B 343 27.681 14.759 144.292 1.00 0.00 H ATOM 642 HE2 TYR B 343 27.502 16.307 146.205 1.00 0.00 H ATOM 643 HE1 TYR B 343 28.948 13.232 148.816 1.00 0.00 H ATOM 644 HD1 TYR B 343 29.073 11.666 146.900 1.00 0.00 H ATOM 645 HH TYR B 343 28.752 16.486 148.526 1.00 0.00 H ATOM 646 H TYR B 343 26.004 12.185 145.120 1.00 0.00 H ATOM 647 N CYS B 344 27.251 9.393 146.152 1.00 26.35 N ATOM 648 CA CYS B 344 27.611 8.269 147.020 1.00 25.73 C ATOM 649 C CYS B 344 26.976 6.979 146.527 1.00 26.76 C ATOM 650 O CYS B 344 27.405 5.895 146.887 1.00 26.73 O ATOM 651 CB CYS B 344 27.213 8.535 148.485 1.00 25.17 C ATOM 652 SG CYS B 344 28.258 9.767 149.261 1.00 26.74 S ATOM 653 HA CYS B 344 28.695 8.162 146.980 1.00 0.00 H ATOM 654 HB2 CYS B 344 27.294 7.603 149.045 1.00 0.00 H ATOM 655 HB3 CYS B 344 26.181 8.884 148.510 1.00 0.00 H ATOM 656 HG CYS B 344 27.850 9.958 150.566 1.00 0.00 H ATOM 657 H CYS B 344 26.344 9.880 146.298 1.00 0.00 H ATOM 658 N LEU B 345 25.957 7.096 145.692 1.00 25.48 N ATOM 659 CA LEU B 345 25.319 5.923 145.113 1.00 25.72 C ATOM 660 C LEU B 345 26.308 5.135 144.247 1.00 29.83 C ATOM 661 O LEU B 345 27.332 5.667 143.814 1.00 29.00 O ATOM 662 CB LEU B 345 24.107 6.350 144.291 1.00 22.70 C ATOM 663 CG LEU B 345 22.990 6.975 145.127 1.00 27.95 C ATOM 664 CD1 LEU B 345 21.982 7.695 144.219 1.00 27.22 C ATOM 665 CD2 LEU B 345 22.331 5.898 145.994 1.00 25.38 C ATOM 666 HA LEU B 345 24.988 5.269 145.920 1.00 0.00 H ATOM 667 HB2 LEU B 345 24.433 7.080 143.550 1.00 0.00 H ATOM 668 HB3 LEU B 345 23.708 5.472 143.783 1.00 0.00 H ATOM 669 HG LEU B 345 23.407 7.728 145.796 1.00 0.00 H ATOM 670 HD21 LEU B 345 21.913 5.123 145.352 1.00 0.00 H ATOM 671 HD22 LEU B 345 23.077 5.460 146.656 1.00 0.00 H ATOM 672 HD23 LEU B 345 21.536 6.348 146.588 1.00 0.00 H ATOM 673 HD11 LEU B 345 22.493 8.481 143.663 1.00 0.00 H ATOM 674 HD12 LEU B 345 21.547 6.979 143.522 1.00 0.00 H ATOM 675 HD13 LEU B 345 21.194 8.134 144.830 1.00 0.00 H ATOM 676 H LEU B 345 25.605 8.043 145.445 1.00 0.00 H ATOM 677 N ASP B 346 25.999 3.866 144.008 1.00 30.04 N ATOM 678 CA ASP B 346 26.786 3.019 143.111 1.00 31.10 C ATOM 679 C ASP B 346 25.834 2.315 142.149 1.00 36.60 C ATOM 680 O ASP B 346 25.215 1.321 142.517 1.00 34.89 O ATOM 681 CB ASP B 346 27.562 1.983 143.945 1.00 39.98 C ATOM 682 CG ASP B 346 28.437 1.067 143.099 1.00 46.92 C ATOM 683 OD1 ASP B 346 28.322 1.053 141.852 1.00 41.30 O ATOM 684 OD2 ASP B 346 29.250 0.343 143.704 1.00 57.76 O ATOM 685 HA ASP B 346 27.497 3.620 142.544 1.00 0.00 H ATOM 686 HB2 ASP B 346 28.198 2.514 144.653 1.00 0.00 H ATOM 687 HB3 ASP B 346 26.845 1.370 144.492 1.00 0.00 H ATOM 688 H ASP B 346 25.165 3.458 144.477 1.00 0.00 H ATOM 689 N PRO B 347 25.732 2.806 140.898 1.00 32.72 N ATOM 690 CA PRO B 347 26.587 3.859 140.357 1.00 29.09 C ATOM 691 C PRO B 347 26.152 5.230 140.816 1.00 26.18 C ATOM 692 O PRO B 347 24.969 5.459 141.101 1.00 27.29 O ATOM 693 CB PRO B 347 26.357 3.741 138.846 1.00 29.93 C ATOM 694 CG PRO B 347 24.936 3.330 138.743 1.00 31.26 C ATOM 695 CD PRO B 347 24.760 2.333 139.894 1.00 35.72 C ATOM 696 HA PRO B 347 27.624 3.748 140.672 1.00 0.00 H ATOM 697 HD3 PRO B 347 23.744 2.364 140.287 1.00 0.00 H ATOM 698 HD2 PRO B 347 24.992 1.318 139.572 1.00 0.00 H ATOM 699 HG3 PRO B 347 24.738 2.854 137.783 1.00 0.00 H ATOM 700 HG2 PRO B 347 24.274 4.187 138.866 1.00 0.00 H ATOM 701 HB2 PRO B 347 26.523 4.698 138.350 1.00 0.00 H ATOM 702 HB3 PRO B 347 27.013 2.988 138.409 1.00 0.00 H ATOM 703 N PRO B 348 27.109 6.157 140.876 1.00 26.81 N ATOM 704 CA PRO B 348 26.804 7.541 141.243 1.00 24.95 C ATOM 705 C PRO B 348 26.140 8.288 140.107 1.00 31.57 C ATOM 706 O PRO B 348 26.486 8.083 138.935 1.00 32.10 O ATOM 707 CB PRO B 348 28.177 8.131 141.555 1.00 26.71 C ATOM 708 CG PRO B 348 29.138 7.305 140.751 1.00 29.20 C ATOM 709 CD PRO B 348 28.549 5.922 140.679 1.00 31.72 C ATOM 710 HA PRO B 348 26.105 7.609 142.076 1.00 0.00 H ATOM 711 HD3 PRO B 348 28.741 5.465 139.708 1.00 0.00 H ATOM 712 HD2 PRO B 348 28.952 5.284 141.465 1.00 0.00 H ATOM 713 HG3 PRO B 348 30.112 7.276 141.240 1.00 0.00 H ATOM 714 HG2 PRO B 348 29.248 7.721 139.750 1.00 0.00 H ATOM 715 HB2 PRO B 348 28.224 9.177 141.254 1.00 0.00 H ATOM 716 HB3 PRO B 348 28.398 8.051 142.619 1.00 0.00 H ATOM 717 N LEU B 349 25.179 9.142 140.446 1.00 28.90 N ATOM 718 CA LEU B 349 24.453 9.919 139.446 1.00 29.89 C ATOM 719 C LEU B 349 25.057 11.308 139.332 1.00 34.54 C ATOM 720 O LEU B 349 25.365 11.939 140.347 1.00 30.84 O ATOM 721 CB LEU B 349 22.981 10.052 139.847 1.00 30.61 C ATOM 722 CG LEU B 349 22.301 8.776 140.330 1.00 31.85 C ATOM 723 CD1 LEU B 349 20.839 9.048 140.652 1.00 30.68 C ATOM 724 CD2 LEU B 349 22.414 7.727 139.260 1.00 33.27 C ATOM 725 HA LEU B 349 24.526 9.404 138.488 1.00 0.00 H ATOM 726 HB2 LEU B 349 22.919 10.787 140.649 1.00 0.00 H ATOM 727 HB3 LEU B 349 22.430 10.415 138.979 1.00 0.00 H ATOM 728 HG LEU B 349 22.789 8.423 141.238 1.00 0.00 H ATOM 729 HD21 LEU B 349 21.928 8.083 138.352 1.00 0.00 H ATOM 730 HD22 LEU B 349 23.466 7.529 139.057 1.00 0.00 H ATOM 731 HD23 LEU B 349 21.930 6.811 139.598 1.00 0.00 H ATOM 732 HD11 LEU B 349 20.775 9.805 141.434 1.00 0.00 H ATOM 733 HD12 LEU B 349 20.331 9.406 139.756 1.00 0.00 H ATOM 734 HD13 LEU B 349 20.367 8.128 140.996 1.00 0.00 H ATOM 735 H LEU B 349 24.938 9.260 141.451 1.00 0.00 H ATOM 736 N SER B 350 25.197 11.785 138.099 1.00 27.99 N ATOM 737 CA SER B 350 25.692 13.137 137.811 1.00 31.26 C ATOM 738 C SER B 350 24.717 14.213 138.175 1.00 31.17 C ATOM 739 O SER B 350 25.093 15.368 138.369 1.00 32.53 O ATOM 740 CB SER B 350 26.004 13.293 136.327 1.00 34.03 C ATOM 741 OG SER B 350 27.097 12.488 135.998 1.00 41.45 O ATOM 742 HA SER B 350 26.588 13.251 138.421 1.00 0.00 H ATOM 743 HB2 SER B 350 26.241 14.335 136.112 1.00 0.00 H ATOM 744 HB3 SER B 350 25.138 12.990 135.739 1.00 0.00 H ATOM 745 HG SER B 350 27.301 12.588 135.034 1.00 0.00 H ATOM 746 H SER B 350 24.943 11.170 137.299 1.00 0.00 H ATOM 747 N SER B 351 23.444 13.863 138.206 1.00 27.05 N ATOM 748 CA SER B 351 22.450 14.832 138.601 1.00 30.77 C ATOM 749 C SER B 351 21.264 14.127 139.234 1.00 29.57 C ATOM 750 O SER B 351 21.136 12.903 139.177 1.00 31.86 O ATOM 751 CB SER B 351 22.007 15.665 137.385 1.00 38.06 C ATOM 752 OG SER B 351 21.597 14.819 136.339 1.00 34.57 O ATOM 753 HA SER B 351 22.883 15.509 139.337 1.00 0.00 H ATOM 754 HB2 SER B 351 22.841 16.279 137.046 1.00 0.00 H ATOM 755 HB3 SER B 351 21.177 16.310 137.673 1.00 0.00 H ATOM 756 HG SER B 351 21.315 15.367 135.564 1.00 0.00 H ATOM 757 H SER B 351 23.160 12.896 137.948 1.00 0.00 H ATOM 758 N VAL B 352 20.395 14.917 139.837 1.00 27.27 N ATOM 759 CA VAL B 352 19.211 14.401 140.498 1.00 33.71 C ATOM 760 C VAL B 352 18.217 13.920 139.453 1.00 35.25 C ATOM 761 O VAL B 352 17.904 14.651 138.527 1.00 33.44 O ATOM 762 CB VAL B 352 18.577 15.508 141.364 1.00 39.53 C ATOM 763 CG1 VAL B 352 17.247 15.055 141.966 1.00 39.17 C ATOM 764 CG2 VAL B 352 19.558 15.937 142.448 1.00 32.77 C ATOM 765 HA VAL B 352 19.486 13.564 141.140 1.00 0.00 H ATOM 766 HB VAL B 352 18.360 16.366 140.727 1.00 0.00 H ATOM 767 HG11 VAL B 352 16.553 14.804 141.164 1.00 0.00 H ATOM 768 HG12 VAL B 352 17.413 14.178 142.592 1.00 0.00 H ATOM 769 HG13 VAL B 352 16.830 15.861 142.570 1.00 0.00 H ATOM 770 HG21 VAL B 352 19.801 15.080 143.076 1.00 0.00 H ATOM 771 HG22 VAL B 352 20.468 16.317 141.983 1.00 0.00 H ATOM 772 HG23 VAL B 352 19.105 16.719 143.057 1.00 0.00 H ATOM 773 H VAL B 352 20.565 15.943 139.838 1.00 0.00 H ATOM 774 N PRO B 353 17.732 12.678 139.583 1.00 36.02 N ATOM 775 CA PRO B 353 16.792 12.175 138.574 1.00 36.16 C ATOM 776 C PRO B 353 15.549 13.050 138.505 1.00 35.78 C ATOM 777 O PRO B 353 15.123 13.603 139.520 1.00 40.53 O ATOM 778 CB PRO B 353 16.425 10.780 139.095 1.00 33.58 C ATOM 779 CG PRO B 353 17.579 10.393 139.956 1.00 38.45 C ATOM 780 CD PRO B 353 18.051 11.664 140.599 1.00 36.46 C ATOM 781 HA PRO B 353 17.217 12.167 137.570 1.00 0.00 H ATOM 782 HD3 PRO B 353 17.516 11.857 141.529 1.00 0.00 H ATOM 783 HD2 PRO B 353 19.122 11.630 140.798 1.00 0.00 H ATOM 784 HG3 PRO B 353 18.374 9.954 139.352 1.00 0.00 H ATOM 785 HG2 PRO B 353 17.264 9.677 140.715 1.00 0.00 H ATOM 786 HB2 PRO B 353 15.504 10.815 139.676 1.00 0.00 H ATOM 787 HB3 PRO B 353 16.306 10.078 138.270 1.00 0.00 H ATOM 788 N SER B 354 14.983 13.182 137.313 1.00 34.11 N ATOM 789 CA SER B 354 13.781 13.990 137.125 1.00 41.91 C ATOM 790 C SER B 354 12.540 13.161 137.425 1.00 46.71 C ATOM 791 O SER B 354 11.467 13.704 137.714 1.00 50.56 O ATOM 792 CB SER B 354 13.720 14.503 135.694 1.00 43.98 C ATOM 793 OG SER B 354 13.800 13.414 134.800 1.00 50.80 O ATOM 794 HA SER B 354 13.817 14.837 137.810 1.00 0.00 H ATOM 795 HB2 SER B 354 14.554 15.182 135.515 1.00 0.00 H ATOM 796 HB3 SER B 354 12.781 15.034 135.538 1.00 0.00 H ATOM 797 HG SER B 354 13.760 13.749 133.869 1.00 0.00 H ATOM 798 H SER B 354 15.404 12.699 136.494 1.00 0.00 H ATOM 799 N GLU B 355 12.687 11.842 137.359 1.00 41.22 N ATOM 800 CA GLU B 355 11.567 10.958 137.638 1.00 45.25 C ATOM 801 C GLU B 355 11.097 11.169 139.074 1.00 50.28 C ATOM 802 O GLU B 355 11.900 11.396 139.980 1.00 47.09 O ATOM 803 CB GLU B 355 11.940 9.501 137.396 1.00 47.96 C ATOM 804 CG GLU B 355 10.751 8.636 137.024 1.00 66.58 C ATOM 805 CD GLU B 355 11.056 7.153 137.101 1.00 79.39 C ATOM 806 OE1 GLU B 355 12.252 6.783 137.086 1.00 82.24 O ATOM 807 OE2 GLU B 355 10.096 6.357 137.186 1.00 82.36 O ATOM 808 HA GLU B 355 10.751 11.200 136.957 1.00 0.00 H ATOM 809 HB2 GLU B 355 12.667 9.459 136.585 1.00 0.00 H ATOM 810 HB3 GLU B 355 12.389 9.102 138.306 1.00 0.00 H ATOM 811 HG2 GLU B 355 9.931 8.859 137.706 1.00 0.00 H ATOM 812 HG3 GLU B 355 10.450 8.877 136.005 1.00 0.00 H ATOM 813 H GLU B 355 13.611 11.438 137.106 1.00 0.00 H ATOM 814 N ASP B 356 9.789 11.091 139.275 1.00 49.95 N ATOM 815 CA ASP B 356 9.184 11.491 140.537 1.00 55.11 C ATOM 816 C ASP B 356 9.485 10.526 141.686 1.00 53.46 C ATOM 817 O ASP B 356 9.883 10.957 142.772 1.00 53.29 O ATOM 818 CB ASP B 356 7.673 11.718 140.370 1.00 65.90 C ATOM 819 CG ASP B 356 7.063 10.865 139.261 1.00 69.45 C ATOM 820 OD1 ASP B 356 7.450 9.681 139.131 1.00 70.70 O ATOM 821 OD2 ASP B 356 6.193 11.382 138.521 1.00 69.04 O ATOM 822 HA ASP B 356 9.647 12.437 140.818 1.00 0.00 H ATOM 823 HB2 ASP B 356 7.178 11.473 141.310 1.00 0.00 H ATOM 824 HB3 ASP B 356 7.503 12.769 140.135 1.00 0.00 H ATOM 825 H ASP B 356 9.179 10.735 138.511 1.00 0.00 H ATOM 826 N GLU B 357 9.305 9.229 141.451 1.00 39.71 N ATOM 827 CA GLU B 357 9.571 8.248 142.497 1.00 47.35 C ATOM 828 C GLU B 357 11.035 7.806 142.461 1.00 51.94 C ATOM 829 O GLU B 357 11.600 7.564 141.388 1.00 51.07 O ATOM 830 CB GLU B 357 8.641 7.038 142.361 1.00 52.47 C ATOM 831 HA GLU B 357 9.376 8.720 143.460 1.00 0.00 H ATOM 832 HB2 GLU B 357 7.605 7.367 142.443 1.00 0.00 H ATOM 833 HB3 GLU B 357 8.798 6.568 141.390 1.00 0.00 H ATOM 834 H GLU B 357 8.973 8.913 140.517 1.00 0.00 H ATOM 835 N TRP B 358 11.656 7.723 143.635 1.00 39.65 N ATOM 836 CA TRP B 358 13.004 7.185 143.736 1.00 32.27 C ATOM 837 C TRP B 358 13.106 6.309 144.982 1.00 33.11 C ATOM 838 O TRP B 358 12.739 6.734 146.070 1.00 37.78 O ATOM 839 CB TRP B 358 14.056 8.300 143.749 1.00 26.52 C ATOM 840 CG TRP B 358 15.461 7.739 143.822 1.00 32.26 C ATOM 841 CD1 TRP B 358 16.214 7.270 142.773 1.00 33.73 C ATOM 842 CD2 TRP B 358 16.263 7.548 145.005 1.00 30.83 C ATOM 843 NE1 TRP B 358 17.433 6.820 143.229 1.00 33.62 N ATOM 844 CE2 TRP B 358 17.487 6.972 144.592 1.00 32.32 C ATOM 845 CE3 TRP B 358 16.066 7.808 146.367 1.00 34.69 C ATOM 846 CZ2 TRP B 358 18.512 6.658 145.490 1.00 31.24 C ATOM 847 CZ3 TRP B 358 17.096 7.500 147.265 1.00 29.78 C ATOM 848 CH2 TRP B 358 18.299 6.938 146.819 1.00 29.41 C ATOM 849 HA TRP B 358 13.206 6.575 142.856 1.00 0.00 H ATOM 850 HB2 TRP B 358 13.957 8.891 142.838 1.00 0.00 H ATOM 851 HB3 TRP B 358 13.884 8.939 144.615 1.00 0.00 H ATOM 852 HE1 TRP B 358 18.192 6.428 142.635 1.00 0.00 H ATOM 853 HD1 TRP B 358 15.893 7.256 141.731 1.00 0.00 H ATOM 854 HZ2 TRP B 358 19.445 6.208 145.149 1.00 0.00 H ATOM 855 HH2 TRP B 358 19.084 6.718 147.542 1.00 0.00 H ATOM 856 HZ3 TRP B 358 16.959 7.701 148.328 1.00 0.00 H ATOM 857 HE3 TRP B 358 15.130 8.241 146.721 1.00 0.00 H ATOM 858 H TRP B 358 11.170 8.048 144.495 1.00 0.00 H ATOM 859 N TYR B 359 13.555 5.072 144.796 1.00 36.26 N ATOM 860 CA TYR B 359 13.762 4.134 145.889 1.00 47.44 C ATOM 861 C TYR B 359 15.241 3.799 145.957 1.00 41.12 C ATOM 862 O TYR B 359 15.893 3.642 144.926 1.00 41.01 O ATOM 863 CB TYR B 359 12.908 2.875 145.690 1.00 53.41 C ATOM 864 CG TYR B 359 11.434 3.201 145.601 1.00 56.90 C ATOM 865 CD1 TYR B 359 10.839 3.513 144.380 1.00 60.10 C ATOM 866 CD2 TYR B 359 10.645 3.233 146.740 1.00 61.49 C ATOM 867 CE1 TYR B 359 9.494 3.835 144.301 1.00 60.77 C ATOM 868 CE2 TYR B 359 9.302 3.552 146.673 1.00 63.39 C ATOM 869 CZ TYR B 359 8.732 3.850 145.453 1.00 65.34 C ATOM 870 OH TYR B 359 7.394 4.167 145.396 1.00 71.31 O ATOM 871 HA TYR B 359 13.451 4.582 146.833 1.00 0.00 H ATOM 872 HB3 TYR B 359 13.070 2.202 146.532 1.00 0.00 H ATOM 873 HB2 TYR B 359 13.216 2.382 144.768 1.00 0.00 H ATOM 874 HD2 TYR B 359 11.092 3.002 147.707 1.00 0.00 H ATOM 875 HE2 TYR B 359 8.697 3.568 147.579 1.00 0.00 H ATOM 876 HE1 TYR B 359 9.041 4.074 143.339 1.00 0.00 H ATOM 877 HD1 TYR B 359 11.442 3.503 143.472 1.00 0.00 H ATOM 878 HH TYR B 359 7.140 4.354 144.458 1.00 0.00 H ATOM 879 H TYR B 359 13.768 4.761 143.827 1.00 0.00 H ATOM 880 N CYS B 360 15.771 3.715 147.173 1.00 39.03 N ATOM 881 CA CYS B 360 17.201 3.514 147.377 1.00 35.23 C ATOM 882 C CYS B 360 17.623 2.074 147.109 1.00 37.97 C ATOM 883 O CYS B 360 16.771 1.192 146.995 1.00 41.85 O ATOM 884 CB CYS B 360 17.581 3.911 148.810 1.00 35.91 C ATOM 885 SG CYS B 360 17.085 2.698 150.060 1.00 37.56 S ATOM 886 HA CYS B 360 17.728 4.147 146.663 1.00 0.00 H ATOM 887 HB2 CYS B 360 17.100 4.861 149.043 1.00 0.00 H ATOM 888 HB3 CYS B 360 18.663 4.032 148.858 1.00 0.00 H ATOM 889 HG CYS B 360 17.469 3.143 151.309 1.00 0.00 H ATOM 890 H CYS B 360 15.148 3.795 148.002 1.00 0.00 H ATOM 891 N PRO B 361 18.946 1.828 147.021 1.00 40.45 N ATOM 892 CA PRO B 361 19.493 0.484 146.795 1.00 42.91 C ATOM 893 C PRO B 361 18.902 -0.556 147.747 1.00 43.24 C ATOM 894 O PRO B 361 18.807 -1.735 147.393 1.00 44.32 O ATOM 895 CB PRO B 361 20.985 0.661 147.088 1.00 43.81 C ATOM 896 CG PRO B 361 21.265 2.094 146.820 1.00 41.14 C ATOM 897 CD PRO B 361 20.010 2.841 147.166 1.00 40.81 C ATOM 898 HA PRO B 361 19.270 0.121 145.792 1.00 0.00 H ATOM 899 HD3 PRO B 361 20.051 3.218 148.188 1.00 0.00 H ATOM 900 HD2 PRO B 361 19.851 3.673 146.480 1.00 0.00 H ATOM 901 HG3 PRO B 361 21.514 2.240 145.769 1.00 0.00 H ATOM 902 HG2 PRO B 361 22.093 2.439 147.439 1.00 0.00 H ATOM 903 HB2 PRO B 361 21.203 0.416 148.128 1.00 0.00 H ATOM 904 HB3 PRO B 361 21.582 0.025 146.434 1.00 0.00 H ATOM 905 N GLU B 362 18.509 -0.115 148.937 1.00 43.92 N ATOM 906 CA GLU B 362 17.974 -1.006 149.962 1.00 43.87 C ATOM 907 C GLU B 362 16.491 -1.320 149.782 1.00 46.14 C ATOM 908 O GLU B 362 16.057 -2.421 150.083 1.00 50.84 O ATOM 909 CB GLU B 362 18.216 -0.421 151.358 1.00 39.19 C ATOM 910 CG GLU B 362 19.682 -0.208 151.638 1.00 42.93 C ATOM 911 CD GLU B 362 19.976 0.311 153.026 1.00 41.16 C ATOM 912 OE1 GLU B 362 19.031 0.528 153.818 1.00 42.99 O ATOM 913 OE2 GLU B 362 21.173 0.501 153.312 1.00 37.33 O ATOM 914 HA GLU B 362 18.510 -1.949 149.853 1.00 0.00 H ATOM 915 HB2 GLU B 362 17.701 0.537 151.432 1.00 0.00 H ATOM 916 HB3 GLU B 362 17.812 -1.108 152.102 1.00 0.00 H ATOM 917 HG2 GLU B 362 20.197 -1.161 151.512 1.00 0.00 H ATOM 918 HG3 GLU B 362 20.068 0.510 150.915 1.00 0.00 H ATOM 919 H GLU B 362 18.585 0.901 149.146 1.00 0.00 H ATOM 920 N CYS B 363 15.716 -0.356 149.301 1.00 45.00 N ATOM 921 CA CYS B 363 14.266 -0.520 149.244 1.00 47.40 C ATOM 922 C CYS B 363 13.730 -0.916 147.867 1.00 54.41 C ATOM 923 O CYS B 363 12.560 -1.296 147.736 1.00 56.05 O ATOM 924 CB CYS B 363 13.570 0.759 149.714 1.00 43.95 C ATOM 925 SG CYS B 363 13.722 1.096 151.475 1.00 49.23 S ATOM 926 HA CYS B 363 14.040 -1.351 149.912 1.00 0.00 H ATOM 927 HB2 CYS B 363 12.510 0.676 149.474 1.00 0.00 H ATOM 928 HB3 CYS B 363 14.000 1.599 149.169 1.00 0.00 H ATOM 929 HG CYS B 363 13.058 2.268 151.776 1.00 0.00 H ATOM 930 H CYS B 363 16.147 0.527 148.960 1.00 0.00 H ATOM 931 N ARG B 364 14.579 -0.840 146.848 1.00 54.02 N ATOM 932 CA ARG B 364 14.147 -1.088 145.475 1.00 62.72 C ATOM 933 C ARG B 364 14.130 -2.571 145.069 1.00 72.12 C ATOM 934 O ARG B 364 14.414 -3.453 145.884 1.00 72.14 O ATOM 935 CB ARG B 364 15.014 -0.295 144.506 1.00 56.30 C ATOM 936 CG ARG B 364 16.428 -0.819 144.411 1.00 58.71 C ATOM 937 CD ARG B 364 17.197 -0.050 143.367 1.00 61.57 C ATOM 938 NE ARG B 364 17.260 1.369 143.701 1.00 62.14 N ATOM 939 CZ ARG B 364 18.326 2.134 143.485 1.00 58.94 C ATOM 940 NH1 ARG B 364 19.415 1.604 142.936 1.00 60.37 N ATOM 941 NH2 ARG B 364 18.310 3.420 143.825 1.00 46.21 N ATOM 942 HA ARG B 364 13.110 -0.755 145.427 1.00 0.00 H ATOM 943 HB2 ARG B 364 14.560 -0.341 143.516 1.00 0.00 H ATOM 944 HB3 ARG B 364 15.050 0.742 144.841 1.00 0.00 H ATOM 945 HG2 ARG B 364 16.920 -0.707 145.377 1.00 0.00 H ATOM 946 HG3 ARG B 364 16.404 -1.874 144.137 1.00 0.00 H ATOM 947 HD2 ARG B 364 16.703 -0.168 142.402 1.00 0.00 H ATOM 948 HD3 ARG B 364 18.210 -0.447 143.306 1.00 0.00 H ATOM 949 HE ARG B 364 16.422 1.808 144.133 1.00 0.00 H ATOM 950 HH12 ARG B 364 20.252 2.197 142.764 1.00 0.00 H ATOM 951 HH11 ARG B 364 19.430 0.597 142.678 1.00 0.00 H ATOM 952 HH22 ARG B 364 19.147 4.014 143.654 1.00 0.00 H ATOM 953 HH21 ARG B 364 17.461 3.832 144.262 1.00 0.00 H ATOM 954 H ARG B 364 15.574 -0.598 147.032 1.00 0.00 H ATOM 955 N ASN B 365 13.806 -2.813 143.795 1.00 75.51 N ATOM 956 CA ASN B 365 13.598 -4.153 143.229 1.00 77.61 C ATOM 957 C ASN B 365 12.195 -4.664 143.528 1.00 80.31 C ATOM 958 O ASN B 365 11.202 -4.051 143.124 1.00 78.36 O ATOM 959 CB ASN B 365 14.651 -5.144 143.714 1.00 78.54 C ATOM 960 HA ASN B 365 13.705 -4.065 142.148 1.00 0.00 H ATOM 961 HB2 ASN B 365 15.640 -4.796 143.416 1.00 0.00 H ATOM 962 HB3 ASN B 365 14.603 -5.220 144.800 1.00 0.00 H ATOM 963 H ASN B 365 13.693 -1.997 143.161 1.00 0.00 H TER 964 ASN B 365 HETATM 965 ZN ZN A 1 21.811 11.905 163.298 1.00 51.42 ZN HETATM 966 ZN ZN A 2 27.007 10.632 151.026 1.00 34.77 ZN HETATM 967 ZN ZN A 3 15.049 3.125 151.051 1.00 54.52 ZN HETATM 968 ZN ZN A 4 20.697 0.871 155.568 1.00 50.34 ZN HETATM 969 O HOH 5 19.553 15.841 163.158 1.00 49.71 O HETATM 970 O HOH 6 32.656 16.252 166.994 1.00 64.29 O HETATM 971 O HOH 7 26.328 6.577 161.551 1.00 29.01 O HETATM 972 O HOH 8 32.452 6.339 154.408 1.00 58.53 O HETATM 973 O HOH 9 19.373 9.477 156.020 1.00 33.40 O HETATM 974 O HOH 10 25.218 2.489 154.965 1.00 59.75 O HETATM 975 O HOH 11 30.700 6.084 152.002 1.00 45.57 O HETATM 976 O HOH 12 28.667 16.590 157.234 1.00 31.32 O HETATM 977 O HOH 13 21.828 16.425 155.874 1.00 40.53 O HETATM 978 O HOH 14 23.456 20.630 155.612 1.00 51.76 O HETATM 979 O HOH 15 22.067 17.380 159.140 1.00 56.20 O HETATM 980 O HOH 16 31.014 13.526 154.789 1.00 44.11 O HETATM 981 O HOH 17 26.365 22.048 151.535 1.00 37.38 O HETATM 982 O HOH 18 20.031 18.193 162.086 1.00 50.70 O HETATM 983 O HOH 19 12.859 10.813 146.116 1.00 45.06 O HETATM 984 O HOH 20 25.259 20.877 158.144 1.00 60.72 O HETATM 985 O HOH 21 20.019 20.481 163.423 1.00 56.32 O HETATM 986 O HOH 22 24.447 2.560 145.995 1.00 57.00 O HETATM 987 O HOH 23 22.117 2.731 143.270 1.00 41.90 O HETATM 988 O HOH 24 15.752 7.402 138.575 1.00 49.94 O HETATM 989 O HOH 25 22.434 4.563 141.340 1.00 27.66 O HETATM 990 O HOH 26 18.156 6.742 139.380 1.00 37.97 O HETATM 991 O HOH 27 26.601 16.910 140.137 1.00 47.42 O HETATM 992 O HOH 28 27.577 13.327 133.154 1.00 40.10 O HETATM 993 O HOH 29 22.374 16.077 133.862 1.00 43.86 O HETATM 994 O HOH 30 21.189 17.856 139.951 1.00 43.67 O HETATM 995 O HOH 31 13.519 15.739 140.775 1.00 46.19 O HETATM 996 O HOH 32 16.274 11.580 135.499 1.00 49.93 O HETATM 997 O HOH 33 15.195 14.518 132.423 1.00 50.35 O HETATM 998 O HOH 34 13.572 9.163 140.268 1.00 59.17 O HETATM 999 O HOH 35 13.625 6.205 139.793 1.00 55.66 O HETATM 1000 O HOH 36 19.846 5.446 141.708 1.00 35.20 O HETATM 1001 O HOH 37 15.021 3.867 141.931 1.00 47.72 O HETATM 1002 O HOH 38 23.241 0.683 149.828 1.00 56.81 O HETATM 1003 O HOH 39 17.605 3.693 140.540 1.00 54.70 O HETATM 1004 N ALA A 40 12.887 13.293 141.509 1.00 0.24 N HETATM 1005 CA ALA A 40 13.073 12.695 142.820 1.00 0.06 C HETATM 1006 C ALA A 40 13.068 13.768 143.910 1.00 0.23 C HETATM 1007 O ALA A 40 13.409 14.923 143.669 1.00 -0.39 O HETATM 1008 N ALA A 40 12.667 13.375 145.108 1.00 -0.26 N HETATM 1009 CA ALA A 40 12.684 14.263 146.267 1.00 0.13 C HETATM 1010 C ALA A 40 14.112 14.377 146.818 1.00 0.20 C HETATM 1011 O ALA A 40 14.810 13.369 146.949 1.00 -0.39 O HETATM 1012 N ALA A 40 14.549 15.599 147.121 1.00 -0.26 N HETATM 1013 CA ALA A 40 15.840 15.816 147.771 1.00 0.16 C HETATM 1014 C ALA A 40 15.643 16.374 149.180 1.00 0.21 C HETATM 1015 O ALA A 40 14.576 16.901 149.511 1.00 -0.39 O HETATM 1016 N ALA A 40 16.652 16.329 150.007 1.00 -0.26 N HETATM 1017 CA ALA A 40 16.554 16.953 151.303 1.00 0.13 C HETATM 1018 C ALA A 40 16.408 18.461 151.163 1.00 0.20 C HETATM 1019 O ALA A 40 15.722 19.039 151.918 1.00 -0.39 O HETATM 1020 N ALA A 40 17.101 19.032 150.193 1.00 -0.27 N HETATM 1021 CA ALA A 40 16.967 20.336 149.481 1.00 0.10 C HETATM 1022 C ALA A 40 17.585 21.620 149.979 1.00 0.06 C HETATM 1023 O ALA A 40 17.753 21.811 151.148 1.00 -0.57 O HETATM 1024 O ALA A 40 17.929 22.505 149.150 1.00 -0.57 O HETATM 1025 CB ALA A 40 15.590 20.621 148.865 1.00 -0.00 C HETATM 1026 CG ALA A 40 15.382 22.109 148.493 1.00 0.04 C HETATM 1027 CD ALA A 40 15.290 22.429 147.001 1.00 0.17 C HETATM 1028 OE1 ALA A 40 16.227 22.199 146.233 1.00 -0.40 O HETATM 1029 NE2 ALA A 40 14.160 22.995 146.595 1.00 -0.30 N HETATM 1030 H ALA A 40 14.044 23.256 145.616 1.00 0.18 H HETATM 1031 H ALA A 40 13.408 23.169 147.262 1.00 0.18 H HETATM 1032 H ALA A 40 16.259 22.640 148.863 1.00 0.05 H HETATM 1033 H ALA A 40 14.424 22.398 148.925 1.00 0.05 H HETATM 1034 H ALA A 40 14.836 20.358 149.607 1.00 0.03 H HETATM 1035 H ALA A 40 15.512 20.038 147.947 1.00 0.03 H HETATM 1036 H ALA A 40 17.701 20.037 148.732 1.00 0.07 H HETATM 1037 H ALA A 40 17.885 18.468 149.865 1.00 0.19 H HETATM 1038 CB ALA A 40 17.737 16.561 152.161 1.00 -0.01 C HETATM 1039 CG ALA A 40 17.587 16.876 153.576 1.00 -0.04 C HETATM 1040 CD ALA A 40 18.718 16.380 154.308 1.00 -0.01 C HETATM 1041 CE ALA A 40 18.454 15.012 154.870 1.00 -0.04 C HETATM 1042 NZ ALA A 40 19.712 14.499 155.411 1.00 0.22 N HETATM 1043 H ALA A 40 19.559 13.569 155.800 1.00 0.20 H HETATM 1044 H ALA A 40 20.406 14.447 154.665 1.00 0.20 H HETATM 1045 H ALA A 40 20.046 15.125 156.144 1.00 0.20 H HETATM 1046 H ALA A 40 18.080 14.349 154.090 1.00 0.08 H HETATM 1047 H ALA A 40 17.699 15.065 155.654 1.00 0.08 H HETATM 1048 H ALA A 40 18.919 17.060 155.136 1.00 0.03 H HETATM 1049 H ALA A 40 19.568 16.316 153.628 1.00 0.03 H HETATM 1050 H ALA A 40 16.679 16.407 153.955 1.00 0.03 H HETATM 1051 H ALA A 40 17.524 17.957 153.700 1.00 0.03 H HETATM 1052 H ALA A 40 18.596 17.125 151.798 1.00 0.03 H HETATM 1053 H ALA A 40 17.843 15.479 152.084 1.00 0.03 H HETATM 1054 H ALA A 40 15.656 16.597 151.808 1.00 0.08 H HETATM 1055 H ALA A 40 17.512 15.851 149.736 1.00 0.19 H HETATM 1056 CB ALA A 40 16.733 16.797 146.978 1.00 0.09 C HETATM 1057 OG1 ALA A 40 16.013 18.012 146.732 1.00 -0.39 O HETATM 1058 H ALA A 40 16.570 18.619 146.239 1.00 0.21 H HETATM 1059 CG2 ALA A 40 17.153 16.195 145.650 1.00 -0.03 C HETATM 1060 H ALA A 40 17.713 15.277 145.829 1.00 0.03 H HETATM 1061 H ALA A 40 16.266 15.971 145.058 1.00 0.03 H HETATM 1062 H ALA A 40 17.780 16.906 145.112 1.00 0.03 H HETATM 1063 H ALA A 40 17.625 17.001 147.571 1.00 0.06 H HETATM 1064 H ALA A 40 16.335 14.846 147.812 1.00 0.08 H HETATM 1065 H ALA A 40 13.967 16.405 146.893 1.00 0.19 H HETATM 1066 CB ALA A 40 11.742 13.691 147.329 1.00 -0.01 C HETATM 1067 CG ALA A 40 11.382 14.614 148.484 1.00 -0.02 C HETATM 1068 CD ALA A 40 10.160 14.065 149.237 1.00 0.06 C HETATM 1069 NE ALA A 40 10.519 13.100 150.278 1.00 -0.27 N HETATM 1070 CZ ALA A 40 10.740 11.804 150.070 1.00 0.29 C HETATM 1071 NH1 ALA A 40 10.649 11.294 148.850 1.00 -0.28 N HETATM 1072 H ALA A 40 10.408 11.896 148.062 1.00 0.26 H HETATM 1073 H ALA A 40 10.820 10.300 148.699 1.00 0.26 H HETATM 1074 NH2 ALA A 40 11.060 11.012 151.086 1.00 -0.28 N HETATM 1075 H ALA A 40 11.137 11.396 152.028 1.00 0.26 H HETATM 1076 H ALA A 40 11.229 10.019 150.925 1.00 0.26 H HETATM 1077 H ALA A 40 10.606 13.447 151.233 1.00 0.26 H HETATM 1078 H ALA A 40 9.525 13.554 148.513 1.00 0.07 H HETATM 1079 H ALA A 40 9.661 14.905 149.720 1.00 0.07 H HETATM 1080 H ALA A 40 11.146 15.603 148.091 1.00 0.03 H HETATM 1081 H ALA A 40 12.227 14.675 149.170 1.00 0.03 H HETATM 1082 H ALA A 40 12.265 12.843 147.772 1.00 0.03 H HETATM 1083 H ALA A 40 10.806 13.470 146.815 1.00 0.03 H HETATM 1084 H ALA A 40 12.351 15.261 145.982 1.00 0.08 H HETATM 1085 H ALA A 40 12.334 12.418 145.226 1.00 0.19 H HETATM 1086 CB ALA A 40 14.367 11.913 142.857 1.00 -0.00 C HETATM 1087 H ALA A 40 15.205 12.591 142.693 1.00 0.03 H HETATM 1088 H ALA A 40 14.472 11.433 143.830 1.00 0.03 H HETATM 1089 H ALA A 40 14.354 11.154 142.075 1.00 0.03 H HETATM 1090 H ALA A 40 12.244 12.013 143.009 1.00 0.11 H HETATM 1091 H ALA A 40 12.012 13.817 141.497 1.00 0.20 H HETATM 1092 H ALA A 40 13.665 13.922 141.310 1.00 0.20 H HETATM 1093 H ALA A 40 12.854 12.558 140.803 1.00 0.20 H CONECT 29 28 33 965 CONECT 71 70 75 965 CONECT 191 190 195 965 CONECT 242 241 246 965 CONECT 263 262 267 966 CONECT 278 276 277 968 CONECT 309 308 313 966 CONECT 488 487 492 967 CONECT 526 525 530 967 CONECT 597 596 599 966 CONECT 652 651 656 966 CONECT 885 884 889 967 CONECT 912 911 968 CONECT 913 911 968 CONECT 925 924 929 967 CONECT 965 29 71 191 242 CONECT 966 263 309 597 652 CONECT 967 488 526 885 925 CONECT 968 278 912 913 CONECT 1004 1005 1091 1092 1093 CONECT 1005 1004 1006 1086 1090 CONECT 1006 1005 1007 1008 CONECT 1007 1006 CONECT 1008 1006 1009 1085 CONECT 1009 1008 1010 1066 1084 CONECT 1010 1009 1011 1012 CONECT 1011 1010 CONECT 1012 1010 1013 1065 CONECT 1013 1012 1014 1056 1064 CONECT 1014 1013 1015 1016 CONECT 1015 1014 CONECT 1016 1014 1017 1055 CONECT 1017 1016 1018 1038 1054 CONECT 1018 1017 1019 1020 CONECT 1019 1018 CONECT 1020 1018 1021 1037 CONECT 1021 1020 1022 1025 1036 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 CONECT 1025 1021 1026 1034 1035 CONECT 1026 1025 1027 1032 1033 CONECT 1027 1026 1028 1029 CONECT 1028 1027 CONECT 1029 1027 1030 1031 CONECT 1030 1029 CONECT 1031 1029 CONECT 1032 1026 CONECT 1033 1026 CONECT 1034 1025 CONECT 1035 1025 CONECT 1036 1021 CONECT 1037 1020 CONECT 1038 1017 1039 1052 1053 CONECT 1039 1038 1040 1050 1051 CONECT 1040 1039 1041 1048 1049 CONECT 1041 1040 1042 1046 1047 CONECT 1042 1041 1043 1044 1045 CONECT 1043 1042 CONECT 1044 1042 CONECT 1045 1042 CONECT 1046 1041 CONECT 1047 1041 CONECT 1048 1040 CONECT 1049 1040 CONECT 1050 1039 CONECT 1051 1039 CONECT 1052 1038 CONECT 1053 1038 CONECT 1054 1017 CONECT 1055 1016 CONECT 1056 1013 1057 1059 1063 CONECT 1057 1056 1058 CONECT 1058 1057 CONECT 1059 1056 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1056 CONECT 1064 1013 CONECT 1065 1012 CONECT 1066 1009 1067 1082 1083 CONECT 1067 1066 1068 1080 1081 CONECT 1068 1067 1069 1078 1079 CONECT 1069 1068 1070 1077 CONECT 1070 1069 1071 1074 CONECT 1071 1070 1072 1073 CONECT 1072 1071 CONECT 1073 1071 CONECT 1074 1070 1075 1076 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1069 CONECT 1078 1068 CONECT 1079 1068 CONECT 1080 1067 CONECT 1081 1067 CONECT 1082 1066 CONECT 1083 1066 CONECT 1084 1009 CONECT 1085 1008 CONECT 1086 1005 1087 1088 1089 CONECT 1087 1086 CONECT 1088 1086 CONECT 1089 1086 CONECT 1090 1005 CONECT 1091 1004 CONECT 1092 1004 CONECT 1093 1004 MASTER 0 0 0 0 0 0 0 0 1092 1 109 6 END
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Related entries of code: 3zvy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
70aa, >3SOU_1|Chains... at 98%
3sow
RCSB PDB
PDBbind
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3t6r
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PDBbind
72aa, >3T6R_1|Chains... at 91%
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RCSB PDB
PDBbind
157aa, >5XPI_1|Chain... at 95%
6iiw
RCSB PDB
PDBbind
68aa, >6IIW_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
3zvy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD FINGER OF HUMAN E3 UBIQUITIN-PROTEIN LIGASE UHRF1
Ligand Name
8-mer
EC.Number
E.C.6.3.2.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=7.9uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Plos One Vol. 6: pp. 27599
Ligand Properties
Formula
C
2
4
H
4
9
N
1
0
O
8
Molecular Weight
605.708
Exact Mass
605.373
No. of atoms
91
No. of bonds
90
Polar Surface Area
338.31
LOGP Value
-4.24 (
Computed with XLOGP3
)
-4.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C24H46N10O8/c1-12(26)19(37)31-15(7-5-11-30-24(28)29)21(39)34-18(13(2)35)22(40)32-14(6-3-4-10-25)20(38)33-16(23(41)42)8-9-17(27)36/h12-16,18,35H,3-11,25-26H2,1-2H3,(H2,27,36)(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,41,42)(H4,28,29,30)/p+3/t12-,13+,14-,15-,16-,18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96T88
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
29128
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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