USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 336 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 442 ASN : amide:sc= 0.373 K(o=0.78,f=-1.8) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -131:sc= 0.404 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.805 K(o=0.77,f=-3!) USER MOD Set 2.2: B 437 ASN : amide:sc= -0.0392 K(o=0.77,f=-4.3) USER MOD Set 3.1: A 2 G O2' : rot -13:sc= 0.408 USER MOD Set 3.2: B 420 GLN : amide:sc= 1.39 K(o=1.8,f=-4.6!) USER MOD Single : A 1 U O2' : rot 153:sc= 0.86 USER MOD Single : A 1 U O5' : rot 180:sc= -0.0852 USER MOD Single : A 3 G O2' : rot 27:sc= 0.233 USER MOD Single : A 4 U O2' : rot -5:sc= 0.868 USER MOD Single : A 5 G O2' : rot 172:sc= 0 USER MOD Single : A 5 G O3' : rot 134:sc= 0.181 USER MOD Single : B 418 SER OG : rot -25:sc= 0.228 USER MOD Single : B 421 GLN : amide:sc= 0.232 K(o=0.23,f=-1) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.372 K(o=-0.37,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 167:sc= -0.0155 (180deg=-0.488) USER MOD Single : B 439 SER OG : rot 180:sc= -0.0258 USER MOD Single : B 445 ASN : amide:sc=-0.00656 K(o=-0.0066,f=-2!) USER MOD Single : B 446 GLN : amide:sc= 0.338 K(o=0.34,f=-1.2) USER MOD Single : B 448 LYS NZ :NH3+ -171:sc=-0.00534 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -8.723 14.356 -17.947 1.00 0.00 N ATOM 2 CA GLY B 414 -9.570 13.425 -17.182 1.00 0.00 C ATOM 3 C GLY B 414 -8.764 12.223 -16.702 1.00 0.00 C ATOM 4 O GLY B 414 -8.018 11.631 -17.479 1.00 0.00 O ATOM 0 HA2 GLY B 414 -10.004 13.942 -16.326 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -10.399 13.087 -17.804 1.00 0.00 H new ATOM 10 N PRO B 415 -8.908 11.853 -15.422 1.00 0.00 N ATOM 11 CA PRO B 415 -8.222 10.721 -14.829 1.00 0.00 C ATOM 12 C PRO B 415 -8.760 9.411 -15.403 1.00 0.00 C ATOM 13 O PRO B 415 -9.905 9.347 -15.852 1.00 0.00 O ATOM 14 CB PRO B 415 -8.485 10.819 -13.326 1.00 0.00 C ATOM 15 CG PRO B 415 -9.798 11.598 -13.237 1.00 0.00 C ATOM 16 CD PRO B 415 -9.767 12.515 -14.460 1.00 0.00 C ATOM 0 HA PRO B 415 -7.153 10.735 -15.042 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -8.573 9.833 -12.870 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -7.676 11.337 -12.811 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -10.660 10.931 -13.260 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -9.861 12.169 -12.311 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -10.768 12.662 -14.865 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -9.379 13.500 -14.201 1.00 0.00 H new ATOM 24 N LEU B 416 -7.931 8.366 -15.385 1.00 0.00 N ATOM 25 CA LEU B 416 -8.324 7.053 -15.888 1.00 0.00 C ATOM 26 C LEU B 416 -9.190 6.329 -14.859 1.00 0.00 C ATOM 27 O LEU B 416 -9.004 6.497 -13.654 1.00 0.00 O ATOM 28 CB LEU B 416 -7.074 6.227 -16.219 1.00 0.00 C ATOM 29 CG LEU B 416 -6.177 6.926 -17.245 1.00 0.00 C ATOM 30 CD1 LEU B 416 -4.934 6.072 -17.482 1.00 0.00 C ATOM 31 CD2 LEU B 416 -6.917 7.102 -18.573 1.00 0.00 C ATOM 0 H LEU B 416 -6.978 8.407 -15.025 1.00 0.00 H new ATOM 0 HA LEU B 416 -8.910 7.181 -16.798 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -6.507 6.046 -15.306 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -7.375 5.253 -16.605 1.00 0.00 H new ATOM 0 HG LEU B 416 -5.899 7.907 -16.860 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -4.289 6.562 -18.212 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -4.393 5.949 -16.544 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -5.231 5.094 -17.860 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -6.264 7.600 -19.290 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -7.204 6.125 -18.962 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -7.810 7.706 -18.414 1.00 0.00 H new ATOM 43 N GLY B 417 -10.139 5.519 -15.340 1.00 0.00 N ATOM 44 CA GLY B 417 -11.029 4.762 -14.470 1.00 0.00 C ATOM 45 C GLY B 417 -11.874 5.692 -13.603 1.00 0.00 C ATOM 46 O GLY B 417 -12.061 6.866 -13.932 1.00 0.00 O ATOM 0 H GLY B 417 -10.307 5.374 -16.336 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -11.681 4.130 -15.073 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -10.443 4.099 -13.833 1.00 0.00 H new ATOM 50 N SER B 418 -12.387 5.167 -12.489 1.00 0.00 N ATOM 51 CA SER B 418 -13.156 5.953 -11.533 1.00 0.00 C ATOM 52 C SER B 418 -12.227 6.848 -10.707 1.00 0.00 C ATOM 53 O SER B 418 -12.696 7.738 -9.995 1.00 0.00 O ATOM 54 CB SER B 418 -13.940 4.998 -10.630 1.00 0.00 C ATOM 55 OG SER B 418 -14.703 5.727 -9.689 1.00 0.00 O ATOM 0 H SER B 418 -12.279 4.187 -12.228 1.00 0.00 H new ATOM 0 HA SER B 418 -13.853 6.602 -12.063 1.00 0.00 H new ATOM 0 HB2 SER B 418 -14.597 4.372 -11.234 1.00 0.00 H new ATOM 0 HB3 SER B 418 -13.252 4.330 -10.111 1.00 0.00 H new ATOM 0 HG SER B 418 -14.288 6.602 -9.539 1.00 0.00 H new ATOM 61 N GLY B 419 -10.912 6.619 -10.802 1.00 0.00 N ATOM 62 CA GLY B 419 -9.922 7.376 -10.051 1.00 0.00 C ATOM 63 C GLY B 419 -9.948 7.001 -8.570 1.00 0.00 C ATOM 64 O GLY B 419 -10.812 6.245 -8.129 1.00 0.00 O ATOM 0 H GLY B 419 -10.511 5.901 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -8.929 7.187 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -10.115 8.443 -10.162 1.00 0.00 H new ATOM 68 N GLN B 420 -8.995 7.537 -7.809 1.00 0.00 N ATOM 69 CA GLN B 420 -8.930 7.311 -6.373 1.00 0.00 C ATOM 70 C GLN B 420 -10.090 8.019 -5.674 1.00 0.00 C ATOM 71 O GLN B 420 -10.584 9.040 -6.151 1.00 0.00 O ATOM 72 CB GLN B 420 -7.575 7.779 -5.820 1.00 0.00 C ATOM 73 CG GLN B 420 -7.272 9.254 -6.122 1.00 0.00 C ATOM 74 CD GLN B 420 -6.508 9.438 -7.434 1.00 0.00 C ATOM 75 OE1 GLN B 420 -6.479 8.549 -8.280 1.00 0.00 O ATOM 76 NE2 GLN B 420 -5.884 10.599 -7.612 1.00 0.00 N ATOM 0 H GLN B 420 -8.253 8.136 -8.171 1.00 0.00 H new ATOM 0 HA GLN B 420 -9.020 6.243 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.558 7.625 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -6.784 7.159 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -8.207 9.812 -6.169 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -6.689 9.677 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -5.928 11.317 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -5.362 10.771 -8.471 1.00 0.00 H new ATOM 85 N GLN B 421 -10.528 7.471 -4.538 1.00 0.00 N ATOM 86 CA GLN B 421 -11.661 7.995 -3.789 1.00 0.00 C ATOM 87 C GLN B 421 -11.347 7.987 -2.298 1.00 0.00 C ATOM 88 O GLN B 421 -10.557 7.164 -1.833 1.00 0.00 O ATOM 89 CB GLN B 421 -12.909 7.145 -4.074 1.00 0.00 C ATOM 90 CG GLN B 421 -13.276 7.139 -5.565 1.00 0.00 C ATOM 91 CD GLN B 421 -13.713 8.513 -6.063 1.00 0.00 C ATOM 92 OE1 GLN B 421 -14.113 9.374 -5.280 1.00 0.00 O ATOM 93 NE2 GLN B 421 -13.641 8.728 -7.373 1.00 0.00 N ATOM 0 H GLN B 421 -10.101 6.647 -4.114 1.00 0.00 H new ATOM 0 HA GLN B 421 -11.853 9.022 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.734 6.122 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -13.749 7.530 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -12.418 6.801 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.079 6.422 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -13.304 7.991 -7.993 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -13.922 9.630 -7.758 1.00 0.00 H new ATOM 102 N ARG B 422 -11.967 8.904 -1.546 1.00 0.00 N ATOM 103 CA ARG B 422 -11.802 8.984 -0.103 1.00 0.00 C ATOM 104 C ARG B 422 -13.129 9.346 0.557 1.00 0.00 C ATOM 105 O ARG B 422 -13.982 9.994 -0.054 1.00 0.00 O ATOM 106 CB ARG B 422 -10.737 10.022 0.269 1.00 0.00 C ATOM 107 CG ARG B 422 -9.362 9.686 -0.313 1.00 0.00 C ATOM 108 CD ARG B 422 -8.345 10.698 0.223 1.00 0.00 C ATOM 109 NE ARG B 422 -7.046 10.576 -0.450 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.937 11.183 -0.013 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.977 12.006 1.033 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.780 10.966 -0.624 1.00 0.00 N ATOM 0 H ARG B 422 -12.597 9.609 -1.928 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.475 8.009 0.257 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.050 11.003 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.662 10.088 1.354 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.071 8.673 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.393 9.721 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.731 11.708 0.087 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.214 10.549 1.295 1.00 0.00 H new ATOM 0 HE ARG B 422 -6.986 10.001 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.861 12.180 1.511 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.124 12.462 1.356 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.737 10.337 -1.426 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.933 11.428 -0.292 1.00 0.00 H new ATOM 126 N ALA B 423 -13.308 8.923 1.808 1.00 0.00 N ATOM 127 CA ALA B 423 -14.523 9.213 2.543 1.00 0.00 C ATOM 128 C ALA B 423 -14.673 10.723 2.717 1.00 0.00 C ATOM 129 O ALA B 423 -13.752 11.391 3.186 1.00 0.00 O ATOM 130 CB ALA B 423 -14.477 8.508 3.898 1.00 0.00 C ATOM 0 H ALA B 423 -12.621 8.378 2.328 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.387 8.846 1.989 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.390 8.725 4.452 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.392 7.432 3.746 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.616 8.863 4.464 1.00 0.00 H new ATOM 136 N GLY B 424 -15.839 11.253 2.341 1.00 0.00 N ATOM 137 CA GLY B 424 -16.132 12.672 2.459 1.00 0.00 C ATOM 138 C GLY B 424 -16.050 13.367 1.102 1.00 0.00 C ATOM 139 O GLY B 424 -16.401 14.544 0.997 1.00 0.00 O ATOM 0 H GLY B 424 -16.603 10.705 1.947 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -17.128 12.807 2.880 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.428 13.135 3.151 1.00 0.00 H new ATOM 143 N ASP B 425 -15.593 12.655 0.064 1.00 0.00 N ATOM 144 CA ASP B 425 -15.620 13.181 -1.294 1.00 0.00 C ATOM 145 C ASP B 425 -17.031 13.583 -1.712 1.00 0.00 C ATOM 146 O ASP B 425 -18.009 13.024 -1.214 1.00 0.00 O ATOM 147 CB ASP B 425 -15.039 12.162 -2.269 1.00 0.00 C ATOM 148 CG ASP B 425 -13.531 12.007 -2.132 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.993 11.118 -2.824 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.928 12.770 -1.347 1.00 0.00 O ATOM 0 H ASP B 425 -15.202 11.716 0.145 1.00 0.00 H new ATOM 0 HA ASP B 425 -15.003 14.080 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.515 11.196 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.277 12.465 -3.289 1.00 0.00 H new ATOM 155 N TRP B 426 -17.146 14.550 -2.627 1.00 0.00 N ATOM 156 CA TRP B 426 -18.455 15.041 -3.027 1.00 0.00 C ATOM 157 C TRP B 426 -18.421 15.612 -4.439 1.00 0.00 C ATOM 158 O TRP B 426 -17.431 16.210 -4.856 1.00 0.00 O ATOM 159 CB TRP B 426 -18.915 16.086 -2.012 1.00 0.00 C ATOM 160 CG TRP B 426 -18.059 17.311 -1.917 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.929 17.428 -1.187 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.214 18.591 -2.607 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.395 18.691 -1.349 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.144 19.450 -2.221 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.173 19.125 -3.485 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.034 20.764 -2.687 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.069 20.442 -3.964 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.007 21.261 -3.561 1.00 0.00 C ATOM 0 H TRP B 426 -16.358 14.998 -3.095 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.166 14.215 -3.041 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.930 16.392 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.960 15.618 -1.029 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.506 16.650 -0.569 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.551 19.021 -0.881 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.005 18.512 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.208 21.387 -2.376 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.813 20.825 -4.647 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.939 22.276 -3.925 1.00 0.00 H new ATOM 179 N LYS B 427 -19.518 15.430 -5.186 1.00 0.00 N ATOM 180 CA LYS B 427 -19.621 15.917 -6.555 1.00 0.00 C ATOM 181 C LYS B 427 -20.278 17.294 -6.561 1.00 0.00 C ATOM 182 O LYS B 427 -21.109 17.591 -5.702 1.00 0.00 O ATOM 183 CB LYS B 427 -20.435 14.927 -7.385 1.00 0.00 C ATOM 184 CG LYS B 427 -20.172 15.154 -8.876 1.00 0.00 C ATOM 185 CD LYS B 427 -21.226 14.441 -9.728 1.00 0.00 C ATOM 186 CE LYS B 427 -22.576 15.143 -9.577 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.618 14.483 -10.385 1.00 0.00 N ATOM 0 H LYS B 427 -20.351 14.943 -4.855 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.626 16.006 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.169 13.906 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.497 15.048 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.183 16.222 -9.094 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.179 14.787 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -20.921 14.440 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.311 13.399 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.872 15.143 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.482 16.185 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.522 14.983 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.345 14.505 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.723 13.495 -10.076 1.00 0.00 H new ATOM 201 N CYS B 428 -19.910 18.138 -7.529 1.00 0.00 N ATOM 202 CA CYS B 428 -20.460 19.472 -7.655 1.00 0.00 C ATOM 203 C CYS B 428 -21.975 19.398 -7.903 1.00 0.00 C ATOM 204 O CYS B 428 -22.421 18.655 -8.781 1.00 0.00 O ATOM 205 CB CYS B 428 -19.747 20.189 -8.798 1.00 0.00 C ATOM 206 SG CYS B 428 -20.273 21.914 -8.839 1.00 0.00 S ATOM 0 H CYS B 428 -19.220 17.906 -8.244 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.305 20.031 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.667 20.129 -8.663 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.977 19.704 -9.747 1.00 0.00 H new ATOM 211 N PRO B 429 -22.771 20.161 -7.141 1.00 0.00 N ATOM 212 CA PRO B 429 -24.218 20.180 -7.256 1.00 0.00 C ATOM 213 C PRO B 429 -24.675 20.939 -8.504 1.00 0.00 C ATOM 214 O PRO B 429 -25.842 20.848 -8.881 1.00 0.00 O ATOM 215 CB PRO B 429 -24.708 20.880 -5.990 1.00 0.00 C ATOM 216 CG PRO B 429 -23.551 21.806 -5.616 1.00 0.00 C ATOM 217 CD PRO B 429 -22.316 21.050 -6.088 1.00 0.00 C ATOM 0 HA PRO B 429 -24.622 19.172 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.626 21.439 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.922 20.166 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.639 22.775 -6.107 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.519 21.994 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.556 21.737 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.866 20.488 -5.270 1.00 0.00 H new ATOM 225 N ASN B 430 -23.769 21.686 -9.143 1.00 0.00 N ATOM 226 CA ASN B 430 -24.100 22.449 -10.336 1.00 0.00 C ATOM 227 C ASN B 430 -24.295 21.470 -11.492 1.00 0.00 C ATOM 228 O ASN B 430 -23.396 20.674 -11.766 1.00 0.00 O ATOM 229 CB ASN B 430 -22.945 23.414 -10.635 1.00 0.00 C ATOM 230 CG ASN B 430 -23.414 24.775 -11.126 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.584 24.969 -11.443 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.488 25.723 -11.189 1.00 0.00 N ATOM 0 H ASN B 430 -22.797 21.774 -8.846 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.015 23.025 -10.195 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.348 23.546 -9.733 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.293 22.969 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.737 26.658 -11.511 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.527 25.517 -10.915 1.00 0.00 H new ATOM 239 N PRO B 431 -25.447 21.507 -12.181 1.00 0.00 N ATOM 240 CA PRO B 431 -25.710 20.651 -13.324 1.00 0.00 C ATOM 241 C PRO B 431 -24.812 21.025 -14.502 1.00 0.00 C ATOM 242 O PRO B 431 -24.648 20.237 -15.431 1.00 0.00 O ATOM 243 CB PRO B 431 -27.189 20.864 -13.663 1.00 0.00 C ATOM 244 CG PRO B 431 -27.499 22.252 -13.102 1.00 0.00 C ATOM 245 CD PRO B 431 -26.569 22.378 -11.899 1.00 0.00 C ATOM 0 HA PRO B 431 -25.499 19.605 -13.103 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.363 20.820 -14.738 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.818 20.099 -13.207 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.307 23.032 -13.838 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.545 22.340 -12.809 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.241 23.409 -11.764 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.074 22.081 -10.980 1.00 0.00 H new ATOM 253 N THR B 432 -24.233 22.230 -14.463 1.00 0.00 N ATOM 254 CA THR B 432 -23.294 22.694 -15.476 1.00 0.00 C ATOM 255 C THR B 432 -21.839 22.366 -15.138 1.00 0.00 C ATOM 256 O THR B 432 -20.934 22.706 -15.903 1.00 0.00 O ATOM 257 CB THR B 432 -23.495 24.186 -15.767 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.766 24.951 -14.832 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.973 24.582 -15.689 1.00 0.00 C ATOM 0 H THR B 432 -24.407 22.910 -13.723 1.00 0.00 H new ATOM 0 HA THR B 432 -23.515 22.141 -16.389 1.00 0.00 H new ATOM 0 HB THR B 432 -23.140 24.379 -16.779 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.893 25.904 -15.019 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.076 25.646 -15.901 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.542 24.009 -16.421 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.354 24.373 -14.689 1.00 0.00 H new ATOM 267 N CYS B 433 -21.617 21.708 -13.994 1.00 0.00 N ATOM 268 CA CYS B 433 -20.285 21.400 -13.505 1.00 0.00 C ATOM 269 C CYS B 433 -20.096 19.890 -13.373 1.00 0.00 C ATOM 270 O CYS B 433 -19.326 19.291 -14.124 1.00 0.00 O ATOM 271 CB CYS B 433 -20.085 22.100 -12.162 1.00 0.00 C ATOM 272 SG CYS B 433 -18.396 21.838 -11.590 1.00 0.00 S ATOM 0 H CYS B 433 -22.365 21.377 -13.385 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.538 21.759 -14.213 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.284 23.167 -12.263 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.792 21.712 -11.429 1.00 0.00 H new ATOM 277 N GLU B 434 -20.809 19.288 -12.415 1.00 0.00 N ATOM 278 CA GLU B 434 -20.733 17.862 -12.115 1.00 0.00 C ATOM 279 C GLU B 434 -19.295 17.380 -11.884 1.00 0.00 C ATOM 280 O GLU B 434 -19.034 16.179 -11.940 1.00 0.00 O ATOM 281 CB GLU B 434 -21.436 17.053 -13.207 1.00 0.00 C ATOM 282 CG GLU B 434 -22.921 17.412 -13.249 1.00 0.00 C ATOM 283 CD GLU B 434 -23.681 16.565 -14.271 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.926 16.680 -14.288 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.016 15.817 -15.024 1.00 0.00 O ATOM 0 H GLU B 434 -21.466 19.791 -11.818 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.255 17.697 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.977 17.256 -14.174 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.316 15.987 -13.015 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.358 17.268 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.033 18.468 -13.496 1.00 0.00 H new ATOM 292 N ASN B 435 -18.362 18.305 -11.623 1.00 0.00 N ATOM 293 CA ASN B 435 -16.981 17.953 -11.341 1.00 0.00 C ATOM 294 C ASN B 435 -16.893 17.233 -9.998 1.00 0.00 C ATOM 295 O ASN B 435 -17.643 17.552 -9.078 1.00 0.00 O ATOM 296 CB ASN B 435 -16.127 19.221 -11.314 1.00 0.00 C ATOM 297 CG ASN B 435 -14.663 18.894 -11.049 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.028 18.180 -11.822 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.117 19.413 -9.955 1.00 0.00 N ATOM 0 H ASN B 435 -18.549 19.307 -11.603 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.610 17.288 -12.121 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.219 19.745 -12.266 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.497 19.895 -10.542 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.140 19.223 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.675 20.001 -9.336 1.00 0.00 H new ATOM 306 N MET B 436 -15.980 16.267 -9.878 1.00 0.00 N ATOM 307 CA MET B 436 -15.778 15.571 -8.619 1.00 0.00 C ATOM 308 C MET B 436 -14.796 16.363 -7.760 1.00 0.00 C ATOM 309 O MET B 436 -13.703 16.693 -8.213 1.00 0.00 O ATOM 310 CB MET B 436 -15.264 14.158 -8.890 1.00 0.00 C ATOM 311 CG MET B 436 -15.483 13.299 -7.648 1.00 0.00 C ATOM 312 SD MET B 436 -17.233 12.944 -7.345 1.00 0.00 S ATOM 313 CE MET B 436 -17.176 12.687 -5.559 1.00 0.00 C ATOM 0 H MET B 436 -15.375 15.955 -10.637 1.00 0.00 H new ATOM 0 HA MET B 436 -16.721 15.489 -8.079 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.786 13.725 -9.743 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.205 14.186 -9.146 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.940 12.361 -7.760 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.064 13.808 -6.780 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.190 12.685 -5.159 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.699 11.731 -5.344 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.604 13.490 -5.094 1.00 0.00 H new ATOM 323 N ASN B 437 -15.181 16.660 -6.515 1.00 0.00 N ATOM 324 CA ASN B 437 -14.374 17.478 -5.621 1.00 0.00 C ATOM 325 C ASN B 437 -13.889 16.659 -4.429 1.00 0.00 C ATOM 326 O ASN B 437 -14.590 15.772 -3.937 1.00 0.00 O ATOM 327 CB ASN B 437 -15.189 18.688 -5.167 1.00 0.00 C ATOM 328 CG ASN B 437 -15.671 19.510 -6.352 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.870 19.995 -7.145 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.985 19.674 -6.478 1.00 0.00 N ATOM 0 H ASN B 437 -16.058 16.339 -6.105 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.491 17.830 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.046 18.353 -4.583 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.581 19.313 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.359 20.219 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.619 19.255 -5.798 1.00 0.00 H new ATOM 337 N PHE B 438 -12.675 16.965 -3.967 1.00 0.00 N ATOM 338 CA PHE B 438 -12.070 16.265 -2.850 1.00 0.00 C ATOM 339 C PHE B 438 -12.733 16.579 -1.511 1.00 0.00 C ATOM 340 O PHE B 438 -13.395 17.605 -1.362 1.00 0.00 O ATOM 341 CB PHE B 438 -10.556 16.497 -2.826 1.00 0.00 C ATOM 342 CG PHE B 438 -9.790 15.840 -3.963 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.201 14.602 -4.486 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.657 16.475 -4.498 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.478 14.002 -5.529 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.925 15.866 -5.525 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.340 14.635 -6.046 1.00 0.00 C ATOM 0 H PHE B 438 -12.092 17.704 -4.360 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.244 15.200 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.367 17.570 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.161 16.127 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.075 14.111 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.349 17.437 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.799 13.053 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -7.040 16.346 -5.915 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.783 14.173 -6.847 1.00 0.00 H new ATOM 357 N SER B 439 -12.553 15.686 -0.529 1.00 0.00 N ATOM 358 CA SER B 439 -13.236 15.767 0.750 1.00 0.00 C ATOM 359 C SER B 439 -12.875 17.040 1.517 1.00 0.00 C ATOM 360 O SER B 439 -13.699 17.556 2.272 1.00 0.00 O ATOM 361 CB SER B 439 -12.863 14.536 1.580 1.00 0.00 C ATOM 362 OG SER B 439 -13.422 14.635 2.870 1.00 0.00 O ATOM 0 H SER B 439 -11.925 14.887 -0.609 1.00 0.00 H new ATOM 0 HA SER B 439 -14.310 15.798 0.566 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.223 13.633 1.087 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.779 14.450 1.651 1.00 0.00 H new ATOM 0 HG SER B 439 -13.180 13.843 3.393 1.00 0.00 H new ATOM 368 N TRP B 440 -11.657 17.551 1.329 1.00 0.00 N ATOM 369 CA TRP B 440 -11.204 18.722 2.061 1.00 0.00 C ATOM 370 C TRP B 440 -11.691 20.032 1.444 1.00 0.00 C ATOM 371 O TRP B 440 -11.536 21.089 2.053 1.00 0.00 O ATOM 372 CB TRP B 440 -9.683 18.697 2.190 1.00 0.00 C ATOM 373 CG TRP B 440 -8.933 18.416 0.928 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.519 17.200 0.510 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.556 19.347 -0.133 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.882 17.315 -0.704 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.869 18.620 -1.149 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.719 20.729 -0.333 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.357 19.240 -2.293 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.213 21.357 -1.483 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.524 20.619 -2.458 1.00 0.00 C ATOM 0 H TRP B 440 -10.972 17.169 0.676 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.646 18.679 3.056 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.353 19.660 2.581 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.411 17.943 2.929 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.666 16.275 1.048 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.470 16.532 -1.212 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.241 21.316 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.838 18.660 -3.042 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.356 22.419 -1.618 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.125 21.113 -3.331 1.00 0.00 H new ATOM 392 N ARG B 441 -12.280 19.977 0.242 1.00 0.00 N ATOM 393 CA ARG B 441 -12.855 21.161 -0.385 1.00 0.00 C ATOM 394 C ARG B 441 -14.234 21.458 0.195 1.00 0.00 C ATOM 395 O ARG B 441 -14.957 20.541 0.580 1.00 0.00 O ATOM 396 CB ARG B 441 -12.953 20.980 -1.903 1.00 0.00 C ATOM 397 CG ARG B 441 -11.565 20.997 -2.540 1.00 0.00 C ATOM 398 CD ARG B 441 -11.697 21.033 -4.061 1.00 0.00 C ATOM 399 NE ARG B 441 -10.378 21.065 -4.706 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.622 22.158 -4.816 1.00 0.00 C ATOM 401 NH1 ARG B 441 -10.038 23.330 -4.342 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.432 22.077 -5.406 1.00 0.00 N ATOM 0 H ARG B 441 -12.368 19.124 -0.310 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.197 22.005 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.451 20.038 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.564 21.775 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -11.006 21.866 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.003 20.114 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.251 20.158 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.272 21.910 -4.358 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.017 20.194 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.948 23.402 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.447 24.156 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.103 21.183 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.849 22.909 -5.494 1.00 0.00 H new ATOM 416 N ASN B 442 -14.591 22.744 0.252 1.00 0.00 N ATOM 417 CA ASN B 442 -15.921 23.170 0.662 1.00 0.00 C ATOM 418 C ASN B 442 -16.643 23.866 -0.494 1.00 0.00 C ATOM 419 O ASN B 442 -17.826 24.182 -0.390 1.00 0.00 O ATOM 420 CB ASN B 442 -15.815 24.083 1.885 1.00 0.00 C ATOM 421 CG ASN B 442 -15.276 23.335 3.095 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.526 22.144 3.262 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.535 24.030 3.948 1.00 0.00 N ATOM 0 H ASN B 442 -13.964 23.513 0.015 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.510 22.295 0.936 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.162 24.925 1.656 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.797 24.495 2.119 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.151 23.576 4.777 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.349 25.018 3.775 1.00 0.00 H new ATOM 430 N GLU B 443 -15.922 24.096 -1.597 1.00 0.00 N ATOM 431 CA GLU B 443 -16.467 24.707 -2.799 1.00 0.00 C ATOM 432 C GLU B 443 -15.977 23.944 -4.027 1.00 0.00 C ATOM 433 O GLU B 443 -14.958 23.261 -3.977 1.00 0.00 O ATOM 434 CB GLU B 443 -16.052 26.177 -2.898 1.00 0.00 C ATOM 435 CG GLU B 443 -16.355 26.938 -1.602 1.00 0.00 C ATOM 436 CD GLU B 443 -15.205 26.881 -0.589 1.00 0.00 C ATOM 437 OE1 GLU B 443 -14.170 26.247 -0.896 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.378 27.481 0.495 1.00 0.00 O ATOM 0 H GLU B 443 -14.933 23.858 -1.674 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.555 24.662 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.986 26.241 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.577 26.649 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -16.570 27.980 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -17.254 26.524 -1.146 1.00 0.00 H new ATOM 445 N CYS B 444 -16.711 24.065 -5.135 1.00 0.00 N ATOM 446 CA CYS B 444 -16.381 23.386 -6.374 1.00 0.00 C ATOM 447 C CYS B 444 -15.034 23.876 -6.895 1.00 0.00 C ATOM 448 O CYS B 444 -14.674 25.037 -6.710 1.00 0.00 O ATOM 449 CB CYS B 444 -17.487 23.636 -7.395 1.00 0.00 C ATOM 450 SG CYS B 444 -17.089 22.749 -8.920 1.00 0.00 S ATOM 0 H CYS B 444 -17.552 24.640 -5.191 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.303 22.313 -6.198 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.446 23.298 -7.002 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.582 24.703 -7.594 1.00 0.00 H new ATOM 455 N ASN B 445 -14.290 22.984 -7.545 1.00 0.00 N ATOM 456 CA ASN B 445 -12.961 23.295 -8.033 1.00 0.00 C ATOM 457 C ASN B 445 -13.045 23.917 -9.430 1.00 0.00 C ATOM 458 O ASN B 445 -12.016 24.193 -10.043 1.00 0.00 O ATOM 459 CB ASN B 445 -12.154 21.994 -8.067 1.00 0.00 C ATOM 460 CG ASN B 445 -10.658 22.244 -8.006 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.207 23.353 -7.730 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.877 21.201 -8.263 1.00 0.00 N ATOM 0 H ASN B 445 -14.595 22.031 -7.744 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.473 24.017 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.450 21.363 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.392 21.445 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.863 21.304 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.292 20.297 -8.488 1.00 0.00 H new ATOM 469 N GLN B 446 -14.264 24.142 -9.933 1.00 0.00 N ATOM 470 CA GLN B 446 -14.460 24.559 -11.311 1.00 0.00 C ATOM 471 C GLN B 446 -15.500 25.671 -11.428 1.00 0.00 C ATOM 472 O GLN B 446 -15.376 26.537 -12.290 1.00 0.00 O ATOM 473 CB GLN B 446 -14.916 23.347 -12.128 1.00 0.00 C ATOM 474 CG GLN B 446 -13.930 22.184 -12.016 1.00 0.00 C ATOM 475 CD GLN B 446 -12.595 22.494 -12.683 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.490 23.417 -13.489 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.562 21.725 -12.353 1.00 0.00 N ATOM 0 H GLN B 446 -15.127 24.040 -9.399 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.516 24.951 -11.689 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.899 23.025 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.023 23.633 -13.174 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.763 21.951 -10.964 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.365 21.296 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.684 20.968 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.647 21.892 -12.772 1.00 0.00 H new ATOM 486 N CYS B 447 -16.520 25.647 -10.565 1.00 0.00 N ATOM 487 CA CYS B 447 -17.586 26.649 -10.600 1.00 0.00 C ATOM 488 C CYS B 447 -17.818 27.292 -9.228 1.00 0.00 C ATOM 489 O CYS B 447 -18.744 28.088 -9.070 1.00 0.00 O ATOM 490 CB CYS B 447 -18.864 26.008 -11.149 1.00 0.00 C ATOM 491 SG CYS B 447 -19.379 24.660 -10.059 1.00 0.00 S ATOM 0 H CYS B 447 -16.629 24.944 -9.834 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.281 27.458 -11.263 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.655 26.754 -11.221 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.690 25.629 -12.156 1.00 0.00 H new ATOM 496 N LYS B 448 -16.977 26.949 -8.244 1.00 0.00 N ATOM 497 CA LYS B 448 -17.012 27.532 -6.900 1.00 0.00 C ATOM 498 C LYS B 448 -18.360 27.347 -6.201 1.00 0.00 C ATOM 499 O LYS B 448 -18.639 28.030 -5.216 1.00 0.00 O ATOM 500 CB LYS B 448 -16.605 29.013 -6.962 1.00 0.00 C ATOM 501 CG LYS B 448 -15.214 29.209 -7.573 1.00 0.00 C ATOM 502 CD LYS B 448 -14.140 28.568 -6.688 1.00 0.00 C ATOM 503 CE LYS B 448 -12.742 28.922 -7.208 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.522 28.403 -8.574 1.00 0.00 N ATOM 0 H LYS B 448 -16.244 26.249 -8.362 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.290 26.990 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.339 29.565 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.620 29.434 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -15.183 28.767 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.009 30.273 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.252 28.914 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.268 27.486 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -12.615 30.005 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -11.988 28.511 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.523 28.525 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -12.767 27.393 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -13.121 28.925 -9.244 1.00 0.00 H new ATOM 518 N ALA B 449 -19.201 26.435 -6.694 1.00 0.00 N ATOM 519 CA ALA B 449 -20.470 26.138 -6.046 1.00 0.00 C ATOM 520 C ALA B 449 -20.206 25.506 -4.674 1.00 0.00 C ATOM 521 O ALA B 449 -19.288 24.699 -4.541 1.00 0.00 O ATOM 522 CB ALA B 449 -21.289 25.199 -6.926 1.00 0.00 C ATOM 0 H ALA B 449 -19.022 25.893 -7.539 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.037 27.058 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.238 24.979 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.478 25.674 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.737 24.272 -7.081 1.00 0.00 H new ATOM 528 N PRO B 450 -20.994 25.854 -3.653 1.00 0.00 N ATOM 529 CA PRO B 450 -20.797 25.376 -2.300 1.00 0.00 C ATOM 530 C PRO B 450 -21.133 23.889 -2.195 1.00 0.00 C ATOM 531 O PRO B 450 -22.009 23.394 -2.901 1.00 0.00 O ATOM 532 CB PRO B 450 -21.733 26.213 -1.425 1.00 0.00 C ATOM 533 CG PRO B 450 -22.838 26.647 -2.389 1.00 0.00 C ATOM 534 CD PRO B 450 -22.127 26.752 -3.740 1.00 0.00 C ATOM 0 HA PRO B 450 -19.759 25.479 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.132 25.631 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.218 27.071 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.650 25.920 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.275 27.600 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.791 26.467 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.803 27.774 -3.934 1.00 0.00 H new ATOM 542 N LYS B 451 -20.429 23.179 -1.304 1.00 0.00 N ATOM 543 CA LYS B 451 -20.712 21.780 -1.019 1.00 0.00 C ATOM 544 C LYS B 451 -22.059 21.641 -0.298 1.00 0.00 C ATOM 545 O LYS B 451 -22.930 20.924 -0.791 1.00 0.00 O ATOM 546 CB LYS B 451 -19.555 21.173 -0.218 1.00 0.00 C ATOM 547 CG LYS B 451 -19.863 19.740 0.238 1.00 0.00 C ATOM 548 CD LYS B 451 -19.183 19.441 1.577 1.00 0.00 C ATOM 549 CE LYS B 451 -17.700 19.803 1.510 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.013 19.497 2.779 1.00 0.00 N ATOM 0 H LYS B 451 -19.652 23.563 -0.766 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.796 21.224 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.652 21.173 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.351 21.795 0.653 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.941 19.607 0.334 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.520 19.031 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.667 20.007 2.373 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.296 18.385 1.822 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.226 19.254 0.696 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.593 20.864 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.453 20.321 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.718 19.274 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.383 18.681 2.645 1.00 0.00 H new ATOM 564 N PRO B 452 -22.258 22.309 0.851 1.00 0.00 N ATOM 565 CA PRO B 452 -23.548 22.362 1.521 1.00 0.00 C ATOM 566 C PRO B 452 -24.544 23.203 0.724 1.00 0.00 C ATOM 567 O PRO B 452 -24.205 23.771 -0.312 1.00 0.00 O ATOM 568 CB PRO B 452 -23.281 23.008 2.878 1.00 0.00 C ATOM 569 CG PRO B 452 -22.040 23.864 2.630 1.00 0.00 C ATOM 570 CD PRO B 452 -21.261 23.056 1.599 1.00 0.00 C ATOM 0 HA PRO B 452 -23.983 21.367 1.620 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.126 23.613 3.207 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.104 22.260 3.651 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.301 24.853 2.253 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.464 24.013 3.544 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.687 23.709 0.942 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.550 22.386 2.082 1.00 0.00 H new ATOM 578 N ASP B 453 -25.776 23.275 1.219 1.00 0.00 N ATOM 579 CA ASP B 453 -26.836 24.060 0.599 1.00 0.00 C ATOM 580 C ASP B 453 -26.697 25.563 0.846 1.00 0.00 C ATOM 581 O ASP B 453 -27.410 26.356 0.233 1.00 0.00 O ATOM 582 CB ASP B 453 -28.208 23.557 1.068 1.00 0.00 C ATOM 583 CG ASP B 453 -28.317 23.377 2.585 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.323 22.765 3.010 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.409 23.846 3.307 1.00 0.00 O ATOM 0 H ASP B 453 -26.068 22.787 2.066 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.745 23.920 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.974 24.260 0.739 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.420 22.604 0.583 1.00 0.00 H new ATOM 590 N GLY B 454 -25.787 25.954 1.743 1.00 0.00 N ATOM 591 CA GLY B 454 -25.585 27.348 2.100 1.00 0.00 C ATOM 592 C GLY B 454 -24.674 28.044 1.095 1.00 0.00 C ATOM 593 O GLY B 454 -23.450 27.791 1.166 1.00 0.00 O ATOM 0 H GLY B 454 -25.173 25.307 2.238 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -26.547 27.860 2.140 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -25.149 27.412 3.097 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 -0.581 18.583 -1.756 1.00 0.00 O ATOM 599 C5' U A 1 -0.425 17.924 -0.514 1.00 0.00 C ATOM 600 C4' U A 1 -1.792 17.562 0.075 1.00 0.00 C ATOM 601 O4' U A 1 -2.493 18.750 0.421 1.00 0.00 O ATOM 602 C3' U A 1 -2.653 16.799 -0.928 1.00 0.00 C ATOM 603 O3' U A 1 -3.478 15.885 -0.232 1.00 0.00 O ATOM 604 C2' U A 1 -3.497 17.907 -1.538 1.00 0.00 C ATOM 605 O2' U A 1 -4.723 17.414 -2.042 1.00 0.00 O ATOM 606 C1' U A 1 -3.680 18.855 -0.358 1.00 0.00 C ATOM 607 N1 U A 1 -3.918 20.259 -0.780 1.00 0.00 N ATOM 608 C2 U A 1 -3.841 21.253 0.192 1.00 0.00 C ATOM 609 O2 U A 1 -3.611 21.005 1.375 1.00 0.00 O ATOM 610 N3 U A 1 -4.032 22.558 -0.236 1.00 0.00 N ATOM 611 C4 U A 1 -4.320 22.953 -1.531 1.00 0.00 C ATOM 612 O4 U A 1 -4.460 24.143 -1.801 1.00 0.00 O ATOM 613 C5 U A 1 -4.425 21.860 -2.469 1.00 0.00 C ATOM 614 C6 U A 1 -4.234 20.579 -2.080 1.00 0.00 C ATOM 0 H5' U A 1 0.118 18.566 0.180 1.00 0.00 H new ATOM 0 H5'' U A 1 0.171 17.021 -0.647 1.00 0.00 H new ATOM 0 H4' U A 1 -1.612 16.936 0.949 1.00 0.00 H new ATOM 0 H3' U A 1 -2.088 16.226 -1.664 1.00 0.00 H new ATOM 0 H2' U A 1 -3.041 18.388 -2.403 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.397 18.125 -2.017 1.00 0.00 H new ATOM 0 HO5' U A 1 0.301 18.810 -2.119 1.00 0.00 H new ATOM 0 H1' U A 1 -4.566 18.576 0.212 1.00 0.00 H new ATOM 0 H3 U A 1 -3.953 23.293 0.467 1.00 0.00 H new ATOM 0 H5 U A 1 -4.661 22.070 -3.502 1.00 0.00 H new ATOM 0 H6 U A 1 -4.332 19.787 -2.808 1.00 0.00 H new ATOM 625 P G A 2 -2.948 14.410 0.143 1.00 0.00 P ATOM 626 OP1 G A 2 -3.770 13.891 1.262 1.00 0.00 O ATOM 627 OP2 G A 2 -1.475 14.452 0.269 1.00 0.00 O ATOM 628 O5' G A 2 -3.334 13.575 -1.176 1.00 0.00 O ATOM 629 C5' G A 2 -2.427 13.422 -2.248 1.00 0.00 C ATOM 630 C4' G A 2 -3.195 12.979 -3.494 1.00 0.00 C ATOM 631 O4' G A 2 -4.234 12.072 -3.155 1.00 0.00 O ATOM 632 C3' G A 2 -3.840 14.157 -4.218 1.00 0.00 C ATOM 633 O3' G A 2 -2.981 14.718 -5.191 1.00 0.00 O ATOM 634 C2' G A 2 -5.046 13.498 -4.856 1.00 0.00 C ATOM 635 O2' G A 2 -4.694 12.812 -6.040 1.00 0.00 O ATOM 636 C1' G A 2 -5.435 12.481 -3.798 1.00 0.00 C ATOM 637 N9 G A 2 -6.372 13.115 -2.844 1.00 0.00 N ATOM 638 C8 G A 2 -6.151 14.133 -1.955 1.00 0.00 C ATOM 639 N7 G A 2 -7.201 14.456 -1.249 1.00 0.00 N ATOM 640 C5 G A 2 -8.196 13.610 -1.724 1.00 0.00 C ATOM 641 C6 G A 2 -9.564 13.493 -1.341 1.00 0.00 C ATOM 642 O6 G A 2 -10.167 14.109 -0.463 1.00 0.00 O ATOM 643 N1 G A 2 -10.228 12.540 -2.097 1.00 0.00 N ATOM 644 C2 G A 2 -9.654 11.792 -3.097 1.00 0.00 C ATOM 645 N2 G A 2 -10.455 10.958 -3.757 1.00 0.00 N ATOM 646 N3 G A 2 -8.363 11.856 -3.428 1.00 0.00 N ATOM 647 C4 G A 2 -7.698 12.791 -2.706 1.00 0.00 C ATOM 0 H5' G A 2 -1.665 12.685 -1.994 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.909 14.362 -2.440 1.00 0.00 H new ATOM 0 H4' G A 2 -2.462 12.503 -4.145 1.00 0.00 H new ATOM 0 H3' G A 2 -4.082 14.994 -3.563 1.00 0.00 H new ATOM 0 H2' G A 2 -5.825 14.209 -5.132 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.792 13.077 -6.316 1.00 0.00 H new ATOM 0 H1' G A 2 -5.936 11.613 -4.226 1.00 0.00 H new ATOM 0 H8 G A 2 -5.195 14.624 -1.848 1.00 0.00 H new ATOM 0 H1 G A 2 -11.216 12.382 -1.896 1.00 0.00 H new ATOM 0 H21 G A 2 -10.081 10.379 -4.509 1.00 0.00 H new ATOM 0 H22 G A 2 -11.443 10.898 -3.511 1.00 0.00 H new ATOM 659 P G A 3 -3.305 16.157 -5.841 1.00 0.00 P ATOM 660 OP1 G A 3 -2.119 16.587 -6.614 1.00 0.00 O ATOM 661 OP2 G A 3 -3.836 17.033 -4.771 1.00 0.00 O ATOM 662 O5' G A 3 -4.505 15.859 -6.882 1.00 0.00 O ATOM 663 C5' G A 3 -4.280 15.154 -8.087 1.00 0.00 C ATOM 664 C4' G A 3 -4.700 15.993 -9.293 1.00 0.00 C ATOM 665 O4' G A 3 -6.073 16.351 -9.176 1.00 0.00 O ATOM 666 C3' G A 3 -3.881 17.288 -9.363 1.00 0.00 C ATOM 667 O3' G A 3 -3.631 17.665 -10.706 1.00 0.00 O ATOM 668 C2' G A 3 -4.809 18.291 -8.703 1.00 0.00 C ATOM 669 O2' G A 3 -4.582 19.605 -9.179 1.00 0.00 O ATOM 670 C1' G A 3 -6.184 17.765 -9.090 1.00 0.00 C ATOM 671 N9 G A 3 -7.210 18.176 -8.111 1.00 0.00 N ATOM 672 C8 G A 3 -7.128 19.135 -7.135 1.00 0.00 C ATOM 673 N7 G A 3 -8.219 19.283 -6.437 1.00 0.00 N ATOM 674 C5 G A 3 -9.098 18.361 -7.000 1.00 0.00 C ATOM 675 C6 G A 3 -10.454 18.069 -6.673 1.00 0.00 C ATOM 676 O6 G A 3 -11.151 18.573 -5.800 1.00 0.00 O ATOM 677 N1 G A 3 -10.984 17.086 -7.492 1.00 0.00 N ATOM 678 C2 G A 3 -10.292 16.426 -8.478 1.00 0.00 C ATOM 679 N2 G A 3 -10.956 15.483 -9.145 1.00 0.00 N ATOM 680 N3 G A 3 -9.019 16.688 -8.791 1.00 0.00 N ATOM 681 C4 G A 3 -8.485 17.668 -8.017 1.00 0.00 C ATOM 0 H5' G A 3 -4.840 14.219 -8.076 1.00 0.00 H new ATOM 0 H5'' G A 3 -3.225 14.893 -8.169 1.00 0.00 H new ATOM 0 H4' G A 3 -4.531 15.399 -10.191 1.00 0.00 H new ATOM 0 H3' G A 3 -2.902 17.204 -8.891 1.00 0.00 H new ATOM 0 H2' G A 3 -4.671 18.373 -7.625 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.221 19.565 -10.089 1.00 0.00 H new ATOM 0 H1' G A 3 -6.504 18.179 -10.046 1.00 0.00 H new ATOM 0 H8 G A 3 -6.236 19.718 -6.959 1.00 0.00 H new ATOM 0 H1 G A 3 -11.962 16.833 -7.352 1.00 0.00 H new ATOM 0 H21 G A 3 -10.491 14.961 -9.888 1.00 0.00 H new ATOM 0 H22 G A 3 -11.929 15.283 -8.913 1.00 0.00 H new ATOM 693 P U A 4 -2.753 16.730 -11.678 1.00 0.00 P ATOM 694 OP1 U A 4 -1.982 15.777 -10.846 1.00 0.00 O ATOM 695 OP2 U A 4 -2.044 17.599 -12.645 1.00 0.00 O ATOM 696 O5' U A 4 -3.885 15.905 -12.476 1.00 0.00 O ATOM 697 C5' U A 4 -4.548 16.487 -13.579 1.00 0.00 C ATOM 698 C4' U A 4 -5.885 15.789 -13.815 1.00 0.00 C ATOM 699 O4' U A 4 -6.755 16.048 -12.727 1.00 0.00 O ATOM 700 C3' U A 4 -6.557 16.329 -15.079 1.00 0.00 C ATOM 701 O3' U A 4 -6.565 15.359 -16.110 1.00 0.00 O ATOM 702 C2' U A 4 -7.984 16.658 -14.642 1.00 0.00 C ATOM 703 O2' U A 4 -8.943 16.034 -15.474 1.00 0.00 O ATOM 704 C1' U A 4 -8.076 16.126 -13.218 1.00 0.00 C ATOM 705 N1 U A 4 -8.898 17.040 -12.394 1.00 0.00 N ATOM 706 C2 U A 4 -10.236 16.714 -12.207 1.00 0.00 C ATOM 707 O2 U A 4 -10.729 15.686 -12.664 1.00 0.00 O ATOM 708 N3 U A 4 -10.988 17.615 -11.473 1.00 0.00 N ATOM 709 C4 U A 4 -10.521 18.781 -10.895 1.00 0.00 C ATOM 710 O4 U A 4 -11.274 19.504 -10.249 1.00 0.00 O ATOM 711 C5 U A 4 -9.117 19.034 -11.127 1.00 0.00 C ATOM 712 C6 U A 4 -8.363 18.179 -11.853 1.00 0.00 C ATOM 0 H5' U A 4 -3.926 16.408 -14.470 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.711 17.549 -13.396 1.00 0.00 H new ATOM 0 H4' U A 4 -5.694 14.721 -13.919 1.00 0.00 H new ATOM 0 H3' U A 4 -6.031 17.194 -15.483 1.00 0.00 H new ATOM 0 H2' U A 4 -8.192 17.726 -14.707 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.488 15.577 -16.212 1.00 0.00 H new ATOM 0 H1' U A 4 -8.550 15.145 -13.185 1.00 0.00 H new ATOM 0 H3 U A 4 -11.977 17.399 -11.347 1.00 0.00 H new ATOM 0 H5 U A 4 -8.662 19.922 -10.713 1.00 0.00 H new ATOM 0 H6 U A 4 -7.317 18.398 -12.010 1.00 0.00 H new ATOM 723 P G A 5 -5.259 15.084 -17.009 1.00 0.00 P ATOM 724 OP1 G A 5 -4.454 16.326 -17.054 1.00 0.00 O ATOM 725 OP2 G A 5 -5.707 14.459 -18.273 1.00 0.00 O ATOM 726 O5' G A 5 -4.438 13.980 -16.170 1.00 0.00 O ATOM 727 C5' G A 5 -4.955 12.677 -15.999 1.00 0.00 C ATOM 728 C4' G A 5 -3.820 11.690 -15.719 1.00 0.00 C ATOM 729 O4' G A 5 -3.248 11.943 -14.439 1.00 0.00 O ATOM 730 C3' G A 5 -4.373 10.266 -15.705 1.00 0.00 C ATOM 731 O3' G A 5 -3.439 9.399 -16.318 1.00 0.00 O ATOM 732 C2' G A 5 -4.479 9.964 -14.222 1.00 0.00 C ATOM 733 O2' G A 5 -4.388 8.574 -13.963 1.00 0.00 O ATOM 734 C1' G A 5 -3.292 10.745 -13.682 1.00 0.00 C ATOM 735 N9 G A 5 -3.407 11.029 -12.234 1.00 0.00 N ATOM 736 C8 G A 5 -4.396 10.663 -11.354 1.00 0.00 C ATOM 737 N7 G A 5 -4.187 11.061 -10.130 1.00 0.00 N ATOM 738 C5 G A 5 -2.967 11.732 -10.199 1.00 0.00 C ATOM 739 C6 G A 5 -2.200 12.362 -9.174 1.00 0.00 C ATOM 740 O6 G A 5 -2.463 12.459 -7.976 1.00 0.00 O ATOM 741 N1 G A 5 -1.028 12.909 -9.664 1.00 0.00 N ATOM 742 C2 G A 5 -0.621 12.848 -10.975 1.00 0.00 C ATOM 743 N2 G A 5 0.544 13.424 -11.268 1.00 0.00 N ATOM 744 N3 G A 5 -1.324 12.254 -11.944 1.00 0.00 N ATOM 745 C4 G A 5 -2.488 11.721 -11.485 1.00 0.00 C ATOM 0 H5' G A 5 -5.498 12.373 -16.894 1.00 0.00 H new ATOM 0 H5'' G A 5 -5.668 12.666 -15.174 1.00 0.00 H new ATOM 0 H4' G A 5 -3.066 11.808 -16.497 1.00 0.00 H new ATOM 0 H3' G A 5 -5.318 10.147 -16.235 1.00 0.00 H new ATOM 0 H2' G A 5 -5.429 10.242 -13.766 1.00 0.00 H new ATOM 0 HO2' G A 5 -4.336 8.424 -12.996 1.00 0.00 H new ATOM 0 HO3' G A 5 -3.332 8.593 -15.770 1.00 0.00 H new ATOM 0 H1' G A 5 -2.374 10.165 -13.781 1.00 0.00 H new ATOM 0 H8 G A 5 -5.267 10.097 -11.649 1.00 0.00 H new ATOM 0 H1 G A 5 -0.421 13.394 -9.003 1.00 0.00 H new ATOM 0 H21 G A 5 0.894 13.408 -12.226 1.00 0.00 H new ATOM 0 H22 G A 5 1.086 13.881 -10.534 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.823 22.760 -9.888 1.00 0.00 ZN