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= 0.317 K(o=0.66,f=-1.5) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -133:sc= 0.34 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.437 K(o=0.91,f=-3.3!) USER MOD Set 2.2: B 437 ASN : amide:sc= 0.476 K(o=0.91,f=-5.6!) USER MOD Single : A 1 U O2' : rot -94:sc= 1.16 USER MOD Single : A 1 U O5' : rot 180:sc= -0.0499 USER MOD Single : A 2 G O2' : rot -27:sc= 0.0545 USER MOD Single : A 3 G O2' : rot 17:sc= 0.286 USER MOD Single : A 4 U O2' : rot -71:sc= 0.801 USER MOD Single : A 5 G O2' : rot -21:sc= 0.212 USER MOD Single : A 5 G O3' : rot 180:sc= 0.198 USER MOD Single : B 418 SER OG : rot 180:sc= -0.081 USER MOD Single : B 420 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.5!) USER MOD Single : B 421 GLN : amide:sc= -0.657 K(o=-0.66,f=0) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.437 K(o=-0.44,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl -172:sc= -0.953 (180deg=-1.13) USER MOD Single : B 439 SER OG : rot 180:sc= 0 USER MOD Single : B 445 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.3!) USER MOD Single : B 446 GLN : amide:sc= 0.237 K(o=0.24,f=-2.6) USER MOD Single : B 448 LYS NZ :NH3+ 166:sc= -0.0144 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -17.203 20.593 -15.307 1.00 0.00 N ATOM 2 CA GLY B 414 -17.272 20.083 -16.685 1.00 0.00 C ATOM 3 C GLY B 414 -17.288 18.557 -16.705 1.00 0.00 C ATOM 4 O GLY B 414 -18.357 17.951 -16.624 1.00 0.00 O ATOM 0 HA2 GLY B 414 -18.168 20.466 -17.173 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -16.418 20.448 -17.255 1.00 0.00 H new ATOM 10 N PRO B 415 -16.111 17.929 -16.809 1.00 0.00 N ATOM 11 CA PRO B 415 -15.964 16.485 -16.779 1.00 0.00 C ATOM 12 C PRO B 415 -16.251 15.947 -15.377 1.00 0.00 C ATOM 13 O PRO B 415 -16.261 16.701 -14.404 1.00 0.00 O ATOM 14 CB PRO B 415 -14.514 16.219 -17.185 1.00 0.00 C ATOM 15 CG PRO B 415 -13.778 17.500 -16.785 1.00 0.00 C ATOM 16 CD PRO B 415 -14.830 18.594 -16.958 1.00 0.00 C ATOM 0 HA PRO B 415 -16.665 15.987 -17.449 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -14.108 15.348 -16.670 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -14.428 16.026 -18.254 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -13.418 17.450 -15.757 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -12.909 17.677 -17.419 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -14.706 19.379 -16.212 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -14.746 19.068 -17.936 1.00 0.00 H new ATOM 24 N LEU B 416 -16.482 14.635 -15.277 1.00 0.00 N ATOM 25 CA LEU B 416 -16.750 13.987 -14.000 1.00 0.00 C ATOM 26 C LEU B 416 -15.472 13.872 -13.167 1.00 0.00 C ATOM 27 O LEU B 416 -15.522 13.459 -12.011 1.00 0.00 O ATOM 28 CB LEU B 416 -17.349 12.600 -14.250 1.00 0.00 C ATOM 29 CG LEU B 416 -18.643 12.678 -15.068 1.00 0.00 C ATOM 30 CD1 LEU B 416 -19.137 11.260 -15.348 1.00 0.00 C ATOM 31 CD2 LEU B 416 -19.726 13.437 -14.303 1.00 0.00 C ATOM 0 H LEU B 416 -16.488 14.000 -16.075 1.00 0.00 H new ATOM 0 HA LEU B 416 -17.461 14.594 -13.439 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -16.623 11.980 -14.776 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -17.551 12.114 -13.296 1.00 0.00 H new ATOM 0 HG LEU B 416 -18.437 13.206 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -20.058 11.304 -15.930 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -18.378 10.715 -15.910 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -19.328 10.748 -14.405 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -20.634 13.479 -14.904 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -19.935 12.924 -13.364 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -19.382 14.450 -14.094 1.00 0.00 H new ATOM 43 N GLY B 417 -14.325 14.235 -13.751 1.00 0.00 N ATOM 44 CA GLY B 417 -13.045 14.180 -13.069 1.00 0.00 C ATOM 45 C GLY B 417 -12.433 12.784 -13.131 1.00 0.00 C ATOM 46 O GLY B 417 -12.985 11.876 -13.755 1.00 0.00 O ATOM 0 H GLY B 417 -14.267 14.574 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -12.361 14.898 -13.521 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -13.174 14.475 -12.028 1.00 0.00 H new ATOM 50 N SER B 418 -11.280 12.618 -12.475 1.00 0.00 N ATOM 51 CA SER B 418 -10.560 11.353 -12.435 1.00 0.00 C ATOM 52 C SER B 418 -11.326 10.306 -11.626 1.00 0.00 C ATOM 53 O SER B 418 -12.211 10.644 -10.841 1.00 0.00 O ATOM 54 CB SER B 418 -9.169 11.584 -11.840 1.00 0.00 C ATOM 55 OG SER B 418 -8.484 10.356 -11.706 1.00 0.00 O ATOM 0 H SER B 418 -10.822 13.366 -11.955 1.00 0.00 H new ATOM 0 HA SER B 418 -10.461 10.971 -13.451 1.00 0.00 H new ATOM 0 HB2 SER B 418 -8.600 12.258 -12.480 1.00 0.00 H new ATOM 0 HB3 SER B 418 -9.258 12.067 -10.867 1.00 0.00 H new ATOM 0 HG SER B 418 -7.595 10.517 -11.326 1.00 0.00 H new ATOM 61 N GLY B 419 -10.985 9.027 -11.817 1.00 0.00 N ATOM 62 CA GLY B 419 -11.614 7.927 -11.098 1.00 0.00 C ATOM 63 C GLY B 419 -11.161 7.875 -9.635 1.00 0.00 C ATOM 64 O GLY B 419 -11.692 7.085 -8.855 1.00 0.00 O ATOM 0 H GLY B 419 -10.265 8.731 -12.476 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -12.698 8.037 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -11.370 6.985 -11.588 1.00 0.00 H new ATOM 68 N GLN B 420 -10.188 8.712 -9.263 1.00 0.00 N ATOM 69 CA GLN B 420 -9.720 8.803 -7.891 1.00 0.00 C ATOM 70 C GLN B 420 -10.867 9.254 -6.986 1.00 0.00 C ATOM 71 O GLN B 420 -11.519 10.255 -7.268 1.00 0.00 O ATOM 72 CB GLN B 420 -8.533 9.776 -7.833 1.00 0.00 C ATOM 73 CG GLN B 420 -8.065 10.058 -6.401 1.00 0.00 C ATOM 74 CD GLN B 420 -7.580 8.801 -5.684 1.00 0.00 C ATOM 75 OE1 GLN B 420 -7.737 8.679 -4.472 1.00 0.00 O ATOM 76 NE2 GLN B 420 -6.986 7.864 -6.419 1.00 0.00 N ATOM 0 H GLN B 420 -9.709 9.341 -9.908 1.00 0.00 H new ATOM 0 HA GLN B 420 -9.383 7.829 -7.537 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.703 9.364 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -8.815 10.715 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -7.260 10.792 -6.424 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -8.885 10.501 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -6.873 7.999 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -6.644 7.010 -5.978 1.00 0.00 H new ATOM 85 N GLN B 421 -11.107 8.511 -5.899 1.00 0.00 N ATOM 86 CA GLN B 421 -12.207 8.796 -4.991 1.00 0.00 C ATOM 87 C GLN B 421 -11.882 8.301 -3.584 1.00 0.00 C ATOM 88 O GLN B 421 -11.227 7.271 -3.421 1.00 0.00 O ATOM 89 CB GLN B 421 -13.483 8.143 -5.523 1.00 0.00 C ATOM 90 CG GLN B 421 -14.660 8.392 -4.576 1.00 0.00 C ATOM 91 CD GLN B 421 -15.996 8.005 -5.209 1.00 0.00 C ATOM 92 OE1 GLN B 421 -17.042 8.509 -4.807 1.00 0.00 O ATOM 93 NE2 GLN B 421 -15.977 7.108 -6.191 1.00 0.00 N ATOM 0 H GLN B 421 -10.545 7.703 -5.632 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.360 9.874 -4.934 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -13.715 8.541 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -13.326 7.071 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.514 7.821 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.683 9.445 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.091 6.709 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.849 6.819 -6.635 1.00 0.00 H new ATOM 102 N ARG B 422 -12.343 9.043 -2.570 1.00 0.00 N ATOM 103 CA ARG B 422 -12.113 8.722 -1.166 1.00 0.00 C ATOM 104 C ARG B 422 -13.347 9.087 -0.345 1.00 0.00 C ATOM 105 O ARG B 422 -14.154 9.922 -0.756 1.00 0.00 O ATOM 106 CB ARG B 422 -10.888 9.485 -0.646 1.00 0.00 C ATOM 107 CG ARG B 422 -9.611 9.057 -1.371 1.00 0.00 C ATOM 108 CD ARG B 422 -8.420 9.863 -0.849 1.00 0.00 C ATOM 109 NE ARG B 422 -7.250 9.685 -1.715 1.00 0.00 N ATOM 110 CZ ARG B 422 -6.001 9.541 -1.265 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.734 9.598 0.038 1.00 0.00 N ATOM 112 NH2 ARG B 422 -5.008 9.337 -2.124 1.00 0.00 N ATOM 0 H ARG B 422 -12.892 9.892 -2.708 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.926 7.653 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.042 10.556 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.776 9.310 0.424 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.435 7.992 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.723 9.211 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.684 10.919 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.178 9.547 0.166 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.400 9.670 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.488 9.753 0.707 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -4.775 9.486 0.367 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -5.201 9.291 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -4.053 9.227 -1.783 1.00 0.00 H new ATOM 126 N ALA B 423 -13.490 8.462 0.825 1.00 0.00 N ATOM 127 CA ALA B 423 -14.625 8.720 1.689 1.00 0.00 C ATOM 128 C ALA B 423 -14.623 10.182 2.136 1.00 0.00 C ATOM 129 O ALA B 423 -13.613 10.683 2.628 1.00 0.00 O ATOM 130 CB ALA B 423 -14.572 7.776 2.889 1.00 0.00 C ATOM 0 H ALA B 423 -12.830 7.775 1.189 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.551 8.539 1.144 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.424 7.968 3.541 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.606 6.743 2.541 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.648 7.942 3.442 1.00 0.00 H new ATOM 136 N GLY B 424 -15.762 10.860 1.960 1.00 0.00 N ATOM 137 CA GLY B 424 -15.922 12.250 2.350 1.00 0.00 C ATOM 138 C GLY B 424 -15.922 13.160 1.124 1.00 0.00 C ATOM 139 O GLY B 424 -16.268 14.337 1.233 1.00 0.00 O ATOM 0 H GLY B 424 -16.597 10.452 1.541 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.855 12.373 2.900 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.115 12.539 3.023 1.00 0.00 H new ATOM 143 N ASP B 425 -15.540 12.625 -0.039 1.00 0.00 N ATOM 144 CA ASP B 425 -15.616 13.368 -1.287 1.00 0.00 C ATOM 145 C ASP B 425 -17.042 13.784 -1.626 1.00 0.00 C ATOM 146 O ASP B 425 -18.000 13.237 -1.079 1.00 0.00 O ATOM 147 CB ASP B 425 -15.023 12.543 -2.425 1.00 0.00 C ATOM 148 CG ASP B 425 -13.513 12.383 -2.302 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.934 12.968 -1.363 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.947 11.673 -3.158 1.00 0.00 O ATOM 0 H ASP B 425 -15.175 11.677 -0.136 1.00 0.00 H new ATOM 0 HA ASP B 425 -15.035 14.281 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.490 11.558 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.259 13.020 -3.377 1.00 0.00 H new ATOM 155 N TRP B 426 -17.186 14.757 -2.530 1.00 0.00 N ATOM 156 CA TRP B 426 -18.501 15.247 -2.903 1.00 0.00 C ATOM 157 C TRP B 426 -18.482 15.820 -4.315 1.00 0.00 C ATOM 158 O TRP B 426 -17.548 16.521 -4.700 1.00 0.00 O ATOM 159 CB TRP B 426 -18.948 16.297 -1.885 1.00 0.00 C ATOM 160 CG TRP B 426 -18.094 17.524 -1.801 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.964 17.646 -1.076 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.249 18.796 -2.504 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.426 18.904 -1.251 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.181 19.659 -2.123 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.205 19.328 -3.387 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.067 20.969 -2.596 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.099 20.640 -3.872 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.037 21.462 -3.473 1.00 0.00 C ATOM 0 H TRP B 426 -16.410 15.213 -3.010 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.213 14.422 -2.898 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.966 16.601 -2.127 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.980 15.831 -0.900 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.542 16.873 -0.451 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.577 19.234 -0.793 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.038 18.714 -3.698 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.240 21.592 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.842 21.019 -4.558 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.968 22.475 -3.842 1.00 0.00 H new ATOM 179 N LYS B 427 -19.521 15.514 -5.091 1.00 0.00 N ATOM 180 CA LYS B 427 -19.635 15.990 -6.459 1.00 0.00 C ATOM 181 C LYS B 427 -20.313 17.357 -6.466 1.00 0.00 C ATOM 182 O LYS B 427 -21.186 17.623 -5.639 1.00 0.00 O ATOM 183 CB LYS B 427 -20.419 14.971 -7.284 1.00 0.00 C ATOM 184 CG LYS B 427 -20.379 15.326 -8.774 1.00 0.00 C ATOM 185 CD LYS B 427 -21.473 14.572 -9.532 1.00 0.00 C ATOM 186 CE LYS B 427 -22.836 15.175 -9.199 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.924 14.475 -9.912 1.00 0.00 N ATOM 0 H LYS B 427 -20.301 14.932 -4.786 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.647 16.101 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.001 13.976 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.453 14.938 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.513 16.400 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.402 15.075 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.291 14.629 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.455 13.516 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.008 15.118 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.844 16.231 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.836 14.908 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.772 14.551 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.931 13.472 -9.636 1.00 0.00 H new ATOM 201 N CYS B 428 -19.915 18.220 -7.399 1.00 0.00 N ATOM 202 CA CYS B 428 -20.480 19.549 -7.528 1.00 0.00 C ATOM 203 C CYS B 428 -21.989 19.462 -7.786 1.00 0.00 C ATOM 204 O CYS B 428 -22.420 18.698 -8.652 1.00 0.00 O ATOM 205 CB CYS B 428 -19.763 20.267 -8.668 1.00 0.00 C ATOM 206 SG CYS B 428 -20.289 21.992 -8.705 1.00 0.00 S ATOM 0 H CYS B 428 -19.190 18.011 -8.085 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.341 20.111 -6.605 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.683 20.206 -8.530 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.991 19.784 -9.618 1.00 0.00 H new ATOM 211 N PRO B 429 -22.799 20.232 -7.042 1.00 0.00 N ATOM 212 CA PRO B 429 -24.243 20.238 -7.177 1.00 0.00 C ATOM 213 C PRO B 429 -24.679 20.928 -8.470 1.00 0.00 C ATOM 214 O PRO B 429 -25.834 20.792 -8.877 1.00 0.00 O ATOM 215 CB PRO B 429 -24.757 21.000 -5.955 1.00 0.00 C ATOM 216 CG PRO B 429 -23.599 21.931 -5.589 1.00 0.00 C ATOM 217 CD PRO B 429 -22.359 21.144 -6.003 1.00 0.00 C ATOM 0 HA PRO B 429 -24.644 19.226 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.663 21.561 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -25.000 20.324 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.666 22.881 -6.119 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.591 22.160 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.578 21.809 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.940 20.600 -5.156 1.00 0.00 H new ATOM 225 N ASN B 430 -23.771 21.666 -9.114 1.00 0.00 N ATOM 226 CA ASN B 430 -24.081 22.361 -10.351 1.00 0.00 C ATOM 227 C ASN B 430 -24.238 21.320 -11.465 1.00 0.00 C ATOM 228 O ASN B 430 -23.325 20.525 -11.683 1.00 0.00 O ATOM 229 CB ASN B 430 -22.925 23.321 -10.668 1.00 0.00 C ATOM 230 CG ASN B 430 -23.384 24.637 -11.276 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.542 24.801 -11.645 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.465 25.589 -11.379 1.00 0.00 N ATOM 0 H ASN B 430 -22.812 21.794 -8.791 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.006 22.931 -10.264 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.371 23.526 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.235 22.832 -11.356 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.712 26.495 -11.776 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.512 25.414 -11.061 1.00 0.00 H new ATOM 239 N PRO B 431 -25.373 21.307 -12.179 1.00 0.00 N ATOM 240 CA PRO B 431 -25.602 20.380 -13.274 1.00 0.00 C ATOM 241 C PRO B 431 -24.665 20.676 -14.446 1.00 0.00 C ATOM 242 O PRO B 431 -24.474 19.832 -15.321 1.00 0.00 O ATOM 243 CB PRO B 431 -27.067 20.575 -13.672 1.00 0.00 C ATOM 244 CG PRO B 431 -27.396 21.996 -13.209 1.00 0.00 C ATOM 245 CD PRO B 431 -26.507 22.187 -11.980 1.00 0.00 C ATOM 0 HA PRO B 431 -25.401 19.349 -12.981 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.206 20.464 -14.747 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.712 19.840 -13.190 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.175 22.731 -13.983 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.452 22.103 -12.961 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.186 23.224 -11.886 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.043 21.935 -11.065 1.00 0.00 H new ATOM 253 N THR B 432 -24.075 21.875 -14.460 1.00 0.00 N ATOM 254 CA THR B 432 -23.103 22.271 -15.472 1.00 0.00 C ATOM 255 C THR B 432 -21.665 21.951 -15.070 1.00 0.00 C ATOM 256 O THR B 432 -20.735 22.198 -15.844 1.00 0.00 O ATOM 257 CB THR B 432 -23.272 23.746 -15.852 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.571 24.553 -14.935 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.744 24.158 -15.863 1.00 0.00 C ATOM 0 H THR B 432 -24.262 22.598 -13.765 1.00 0.00 H new ATOM 0 HA THR B 432 -23.309 21.670 -16.358 1.00 0.00 H new ATOM 0 HB THR B 432 -22.872 23.881 -16.857 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.678 25.496 -15.180 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.825 25.210 -16.137 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.286 23.551 -16.588 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.172 24.007 -14.872 1.00 0.00 H new ATOM 267 N CYS B 433 -21.476 21.407 -13.862 1.00 0.00 N ATOM 268 CA CYS B 433 -20.153 21.136 -13.323 1.00 0.00 C ATOM 269 C CYS B 433 -19.947 19.636 -13.127 1.00 0.00 C ATOM 270 O CYS B 433 -19.129 19.027 -13.816 1.00 0.00 O ATOM 271 CB CYS B 433 -19.998 21.891 -12.005 1.00 0.00 C ATOM 272 SG CYS B 433 -18.323 21.670 -11.386 1.00 0.00 S ATOM 0 H CYS B 433 -22.239 21.145 -13.238 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.392 21.477 -14.025 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.206 22.951 -12.153 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.719 21.523 -11.275 1.00 0.00 H new ATOM 277 N GLU B 434 -20.694 19.052 -12.183 1.00 0.00 N ATOM 278 CA GLU B 434 -20.636 17.630 -11.859 1.00 0.00 C ATOM 279 C GLU B 434 -19.210 17.134 -11.588 1.00 0.00 C ATOM 280 O GLU B 434 -18.950 15.932 -11.681 1.00 0.00 O ATOM 281 CB GLU B 434 -21.329 16.816 -12.953 1.00 0.00 C ATOM 282 CG GLU B 434 -22.815 17.180 -13.017 1.00 0.00 C ATOM 283 CD GLU B 434 -23.574 16.310 -14.019 1.00 0.00 C ATOM 284 OE1 GLU B 434 -22.907 15.551 -14.760 1.00 0.00 O ATOM 285 OE2 GLU B 434 -24.823 16.416 -14.034 1.00 0.00 O ATOM 0 H GLU B 434 -21.366 19.567 -11.615 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.174 17.484 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.857 17.010 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.216 15.751 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.259 17.066 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -22.920 18.229 -13.295 1.00 0.00 H new ATOM 292 N ASN B 435 -18.281 18.035 -11.259 1.00 0.00 N ATOM 293 CA ASN B 435 -16.913 17.654 -10.941 1.00 0.00 C ATOM 294 C ASN B 435 -16.853 16.962 -9.582 1.00 0.00 C ATOM 295 O ASN B 435 -17.574 17.338 -8.659 1.00 0.00 O ATOM 296 CB ASN B 435 -16.029 18.901 -10.939 1.00 0.00 C ATOM 297 CG ASN B 435 -14.580 18.549 -10.637 1.00 0.00 C ATOM 298 OD1 ASN B 435 -13.989 17.697 -11.295 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.001 19.205 -9.639 1.00 0.00 N ATOM 0 H ASN B 435 -18.458 19.038 -11.207 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.552 16.955 -11.695 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.091 19.395 -11.908 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.396 19.609 -10.196 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.030 19.008 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.527 19.906 -9.117 1.00 0.00 H new ATOM 306 N MET B 436 -15.988 15.953 -9.451 1.00 0.00 N ATOM 307 CA MET B 436 -15.773 15.278 -8.176 1.00 0.00 C ATOM 308 C MET B 436 -14.780 16.078 -7.336 1.00 0.00 C ATOM 309 O MET B 436 -13.571 15.994 -7.549 1.00 0.00 O ATOM 310 CB MET B 436 -15.266 13.855 -8.439 1.00 0.00 C ATOM 311 CG MET B 436 -14.991 13.115 -7.127 1.00 0.00 C ATOM 312 SD MET B 436 -16.246 11.903 -6.649 1.00 0.00 S ATOM 313 CE MET B 436 -17.516 13.039 -6.046 1.00 0.00 C ATOM 0 H MET B 436 -15.425 15.587 -10.218 1.00 0.00 H new ATOM 0 HA MET B 436 -16.708 15.212 -7.620 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.004 13.305 -9.022 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.354 13.895 -9.035 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.031 12.606 -7.210 1.00 0.00 H new ATOM 0 HG3 MET B 436 -14.895 13.849 -6.327 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.318 12.471 -5.574 1.00 0.00 H new ATOM 0 HE2 MET B 436 -17.078 13.721 -5.318 1.00 0.00 H new ATOM 0 HE3 MET B 436 -17.919 13.611 -6.882 1.00 0.00 H new ATOM 323 N ASN B 437 -15.287 16.857 -6.380 1.00 0.00 N ATOM 324 CA ASN B 437 -14.451 17.674 -5.514 1.00 0.00 C ATOM 325 C ASN B 437 -13.952 16.852 -4.326 1.00 0.00 C ATOM 326 O ASN B 437 -14.649 15.957 -3.842 1.00 0.00 O ATOM 327 CB ASN B 437 -15.231 18.904 -5.048 1.00 0.00 C ATOM 328 CG ASN B 437 -15.705 19.743 -6.226 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.913 20.142 -7.074 1.00 0.00 O ATOM 330 ND2 ASN B 437 -17.004 20.018 -6.288 1.00 0.00 N ATOM 0 H ASN B 437 -16.286 16.936 -6.188 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.579 18.013 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.090 18.589 -4.456 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.601 19.511 -4.398 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.371 20.577 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.634 19.670 -5.565 1.00 0.00 H new ATOM 337 N PHE B 438 -12.742 17.161 -3.857 1.00 0.00 N ATOM 338 CA PHE B 438 -12.131 16.448 -2.748 1.00 0.00 C ATOM 339 C PHE B 438 -12.795 16.730 -1.403 1.00 0.00 C ATOM 340 O PHE B 438 -13.468 17.750 -1.236 1.00 0.00 O ATOM 341 CB PHE B 438 -10.617 16.689 -2.720 1.00 0.00 C ATOM 342 CG PHE B 438 -9.838 16.040 -3.851 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.282 14.848 -4.452 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.648 16.635 -4.301 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.528 14.249 -5.472 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.886 16.024 -5.304 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.325 14.832 -5.895 1.00 0.00 C ATOM 0 H PHE B 438 -12.165 17.911 -4.238 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.299 15.385 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.436 17.764 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.224 16.322 -1.772 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.206 14.393 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.319 17.569 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.875 13.336 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -6.957 16.473 -5.623 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.740 14.364 -6.673 1.00 0.00 H new ATOM 357 N SER B 439 -12.604 15.829 -0.440 1.00 0.00 N ATOM 358 CA SER B 439 -13.277 15.893 0.850 1.00 0.00 C ATOM 359 C SER B 439 -12.910 17.151 1.633 1.00 0.00 C ATOM 360 O SER B 439 -13.709 17.630 2.435 1.00 0.00 O ATOM 361 CB SER B 439 -12.907 14.646 1.654 1.00 0.00 C ATOM 362 OG SER B 439 -13.498 14.695 2.935 1.00 0.00 O ATOM 0 H SER B 439 -11.975 15.032 -0.536 1.00 0.00 H new ATOM 0 HA SER B 439 -14.352 15.933 0.676 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.241 13.753 1.126 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.823 14.574 1.749 1.00 0.00 H new ATOM 0 HG SER B 439 -13.254 13.890 3.439 1.00 0.00 H new ATOM 368 N TRP B 440 -11.711 17.693 1.407 1.00 0.00 N ATOM 369 CA TRP B 440 -11.249 18.858 2.149 1.00 0.00 C ATOM 370 C TRP B 440 -11.713 20.182 1.536 1.00 0.00 C ATOM 371 O TRP B 440 -11.532 21.235 2.146 1.00 0.00 O ATOM 372 CB TRP B 440 -9.727 18.814 2.288 1.00 0.00 C ATOM 373 CG TRP B 440 -8.970 18.533 1.030 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.562 17.318 0.605 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.570 19.466 -0.018 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.907 17.435 -0.598 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.874 18.744 -1.032 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.718 20.853 -0.209 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.333 19.372 -2.158 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.186 21.490 -1.339 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.485 20.756 -2.310 1.00 0.00 C ATOM 0 H TRP B 440 -11.047 17.341 0.717 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.703 18.814 3.139 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.389 19.770 2.688 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.469 18.052 3.023 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.726 16.390 1.133 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.497 16.652 -1.106 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.250 21.436 0.528 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.804 18.796 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.316 22.555 -1.464 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.065 21.257 -3.170 1.00 0.00 H new ATOM 392 N ARG B 441 -12.309 20.143 0.337 1.00 0.00 N ATOM 393 CA ARG B 441 -12.866 21.341 -0.281 1.00 0.00 C ATOM 394 C ARG B 441 -14.238 21.656 0.301 1.00 0.00 C ATOM 395 O ARG B 441 -14.963 20.751 0.719 1.00 0.00 O ATOM 396 CB ARG B 441 -12.968 21.169 -1.799 1.00 0.00 C ATOM 397 CG ARG B 441 -11.581 21.191 -2.440 1.00 0.00 C ATOM 398 CD ARG B 441 -11.721 21.283 -3.962 1.00 0.00 C ATOM 399 NE ARG B 441 -10.404 21.341 -4.606 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.651 22.442 -4.681 1.00 0.00 C ATOM 401 NH1 ARG B 441 -10.083 23.598 -4.178 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.458 22.382 -5.263 1.00 0.00 N ATOM 0 H ARG B 441 -12.415 19.294 -0.219 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.195 22.174 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.466 20.228 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.581 21.966 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -11.009 22.040 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.030 20.291 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.274 20.420 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.298 22.169 -4.225 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.040 20.485 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.998 23.649 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.499 24.432 -4.241 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.123 21.499 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.878 23.219 -5.324 1.00 0.00 H new ATOM 416 N ASN B 442 -14.595 22.943 0.319 1.00 0.00 N ATOM 417 CA ASN B 442 -15.926 23.387 0.722 1.00 0.00 C ATOM 418 C ASN B 442 -16.628 24.084 -0.443 1.00 0.00 C ATOM 419 O ASN B 442 -17.809 24.410 -0.351 1.00 0.00 O ATOM 420 CB ASN B 442 -15.817 24.314 1.934 1.00 0.00 C ATOM 421 CG ASN B 442 -15.255 23.588 3.152 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.526 22.409 3.362 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.470 24.288 3.961 1.00 0.00 N ATOM 0 H ASN B 442 -13.968 23.703 0.055 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.525 22.521 1.003 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.176 25.161 1.688 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.801 24.717 2.173 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.070 23.848 4.790 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.267 25.266 3.754 1.00 0.00 H new ATOM 430 N GLU B 443 -15.900 24.307 -1.537 1.00 0.00 N ATOM 431 CA GLU B 443 -16.433 24.909 -2.749 1.00 0.00 C ATOM 432 C GLU B 443 -15.938 24.135 -3.968 1.00 0.00 C ATOM 433 O GLU B 443 -14.921 23.442 -3.904 1.00 0.00 O ATOM 434 CB GLU B 443 -16.012 26.379 -2.850 1.00 0.00 C ATOM 435 CG GLU B 443 -16.299 27.152 -1.558 1.00 0.00 C ATOM 436 CD GLU B 443 -15.142 27.088 -0.552 1.00 0.00 C ATOM 437 OE1 GLU B 443 -14.125 26.425 -0.855 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.296 27.712 0.520 1.00 0.00 O ATOM 0 H GLU B 443 -14.910 24.070 -1.602 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.522 24.866 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.947 26.436 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.540 26.851 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -16.503 28.194 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -17.200 26.751 -1.093 1.00 0.00 H new ATOM 445 N CYS B 444 -16.663 24.256 -5.081 1.00 0.00 N ATOM 446 CA CYS B 444 -16.346 23.541 -6.302 1.00 0.00 C ATOM 447 C CYS B 444 -15.014 24.021 -6.867 1.00 0.00 C ATOM 448 O CYS B 444 -14.652 25.188 -6.730 1.00 0.00 O ATOM 449 CB CYS B 444 -17.473 23.738 -7.309 1.00 0.00 C ATOM 450 SG CYS B 444 -17.088 22.802 -8.806 1.00 0.00 S ATOM 0 H CYS B 444 -17.486 24.855 -5.154 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.250 22.477 -6.087 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.420 23.401 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.588 24.796 -7.545 1.00 0.00 H new ATOM 455 N ASN B 445 -14.290 23.106 -7.508 1.00 0.00 N ATOM 456 CA ASN B 445 -12.981 23.389 -8.062 1.00 0.00 C ATOM 457 C ASN B 445 -13.097 24.002 -9.462 1.00 0.00 C ATOM 458 O ASN B 445 -12.080 24.344 -10.065 1.00 0.00 O ATOM 459 CB ASN B 445 -12.205 22.075 -8.135 1.00 0.00 C ATOM 460 CG ASN B 445 -10.702 22.285 -8.029 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.237 23.355 -7.642 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.941 21.257 -8.371 1.00 0.00 N ATOM 0 H ASN B 445 -14.602 22.146 -7.655 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.464 24.108 -7.427 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.535 21.416 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.434 21.572 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.925 21.335 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.370 20.387 -8.687 1.00 0.00 H new ATOM 469 N GLN B 446 -14.323 24.140 -9.986 1.00 0.00 N ATOM 470 CA GLN B 446 -14.513 24.531 -11.377 1.00 0.00 C ATOM 471 C GLN B 446 -15.569 25.620 -11.532 1.00 0.00 C ATOM 472 O GLN B 446 -15.477 26.442 -12.446 1.00 0.00 O ATOM 473 CB GLN B 446 -14.916 23.294 -12.179 1.00 0.00 C ATOM 474 CG GLN B 446 -13.916 22.161 -11.947 1.00 0.00 C ATOM 475 CD GLN B 446 -13.937 21.127 -13.070 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.778 21.180 -13.964 1.00 0.00 O ATOM 477 NE2 GLN B 446 -13.009 20.181 -13.021 1.00 0.00 N ATOM 0 H GLN B 446 -15.188 23.987 -9.467 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.575 24.944 -11.749 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.915 22.972 -11.886 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.959 23.539 -13.240 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.913 22.578 -11.859 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.141 21.670 -11.000 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.329 20.173 -12.261 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -12.976 19.462 -13.743 1.00 0.00 H new ATOM 486 N CYS B 447 -16.567 25.635 -10.647 1.00 0.00 N ATOM 487 CA CYS B 447 -17.637 26.627 -10.689 1.00 0.00 C ATOM 488 C CYS B 447 -17.839 27.302 -9.329 1.00 0.00 C ATOM 489 O CYS B 447 -18.739 28.126 -9.173 1.00 0.00 O ATOM 490 CB CYS B 447 -18.916 25.969 -11.201 1.00 0.00 C ATOM 491 SG CYS B 447 -19.380 24.610 -10.102 1.00 0.00 S ATOM 0 H CYS B 447 -16.654 24.962 -9.885 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.356 27.422 -11.379 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.721 26.703 -11.249 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.765 25.596 -12.214 1.00 0.00 H new ATOM 496 N LYS B 448 -16.995 26.952 -8.348 1.00 0.00 N ATOM 497 CA LYS B 448 -16.984 27.561 -7.020 1.00 0.00 C ATOM 498 C LYS B 448 -18.324 27.437 -6.293 1.00 0.00 C ATOM 499 O LYS B 448 -18.574 28.165 -5.332 1.00 0.00 O ATOM 500 CB LYS B 448 -16.511 29.017 -7.106 1.00 0.00 C ATOM 501 CG LYS B 448 -15.111 29.085 -7.721 1.00 0.00 C ATOM 502 CD LYS B 448 -14.634 30.537 -7.740 1.00 0.00 C ATOM 503 CE LYS B 448 -13.216 30.623 -8.306 1.00 0.00 C ATOM 504 NZ LYS B 448 -13.159 30.152 -9.705 1.00 0.00 N ATOM 0 H LYS B 448 -16.290 26.224 -8.462 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.272 27.002 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.209 29.598 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.501 29.463 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.419 28.471 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.127 28.683 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -15.311 31.141 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.655 30.947 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -12.865 31.654 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -12.542 30.025 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -12.255 30.439 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -13.237 29.115 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -13.944 30.569 -10.244 1.00 0.00 H new ATOM 518 N ALA B 449 -19.193 26.527 -6.740 1.00 0.00 N ATOM 519 CA ALA B 449 -20.452 26.274 -6.062 1.00 0.00 C ATOM 520 C ALA B 449 -20.172 25.659 -4.687 1.00 0.00 C ATOM 521 O ALA B 449 -19.256 24.850 -4.555 1.00 0.00 O ATOM 522 CB ALA B 449 -21.310 25.338 -6.909 1.00 0.00 C ATOM 0 H ALA B 449 -19.041 25.956 -7.571 1.00 0.00 H new ATOM 0 HA ALA B 449 -20.995 27.209 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.255 25.149 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.506 25.800 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.783 24.396 -7.057 1.00 0.00 H new ATOM 528 N PRO B 450 -20.940 26.028 -3.657 1.00 0.00 N ATOM 529 CA PRO B 450 -20.729 25.556 -2.302 1.00 0.00 C ATOM 530 C PRO B 450 -21.077 24.075 -2.181 1.00 0.00 C ATOM 531 O PRO B 450 -21.949 23.570 -2.892 1.00 0.00 O ATOM 532 CB PRO B 450 -21.638 26.416 -1.423 1.00 0.00 C ATOM 533 CG PRO B 450 -22.757 26.851 -2.371 1.00 0.00 C ATOM 534 CD PRO B 450 -22.067 26.933 -3.732 1.00 0.00 C ATOM 0 HA PRO B 450 -19.685 25.645 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.028 25.850 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.104 27.274 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.576 26.132 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.179 27.812 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.747 26.645 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.738 27.951 -3.943 1.00 0.00 H new ATOM 542 N LYS B 451 -20.394 23.379 -1.269 1.00 0.00 N ATOM 543 CA LYS B 451 -20.695 21.988 -0.961 1.00 0.00 C ATOM 544 C LYS B 451 -22.056 21.879 -0.261 1.00 0.00 C ATOM 545 O LYS B 451 -22.928 21.163 -0.752 1.00 0.00 O ATOM 546 CB LYS B 451 -19.556 21.387 -0.127 1.00 0.00 C ATOM 547 CG LYS B 451 -19.876 19.966 0.346 1.00 0.00 C ATOM 548 CD LYS B 451 -19.209 19.673 1.691 1.00 0.00 C ATOM 549 CE LYS B 451 -17.732 20.057 1.639 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.046 19.745 2.909 1.00 0.00 N ATOM 0 H LYS B 451 -19.621 23.766 -0.728 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.768 21.412 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.641 21.374 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.366 22.022 0.738 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.955 19.843 0.437 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.535 19.246 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.710 20.230 2.483 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.309 18.615 1.933 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.245 19.525 0.821 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.639 21.122 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.473 20.561 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.753 19.535 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.428 18.919 2.776 1.00 0.00 H new ATOM 564 N PRO B 452 -22.262 22.571 0.874 1.00 0.00 N ATOM 565 CA PRO B 452 -23.559 22.644 1.526 1.00 0.00 C ATOM 566 C PRO B 452 -24.543 23.446 0.677 1.00 0.00 C ATOM 567 O PRO B 452 -24.152 24.147 -0.254 1.00 0.00 O ATOM 568 CB PRO B 452 -23.310 23.328 2.871 1.00 0.00 C ATOM 569 CG PRO B 452 -22.059 24.164 2.628 1.00 0.00 C ATOM 570 CD PRO B 452 -21.273 23.331 1.618 1.00 0.00 C ATOM 0 HA PRO B 452 -23.999 21.656 1.660 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.155 23.950 3.166 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.156 22.600 3.668 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.304 25.150 2.233 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.494 24.320 3.547 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.691 23.970 0.954 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.569 22.668 2.122 1.00 0.00 H new ATOM 578 N ASP B 453 -25.831 23.337 1.011 1.00 0.00 N ATOM 579 CA ASP B 453 -26.885 24.054 0.302 1.00 0.00 C ATOM 580 C ASP B 453 -26.891 25.530 0.733 1.00 0.00 C ATOM 581 O ASP B 453 -27.551 26.362 0.110 1.00 0.00 O ATOM 582 CB ASP B 453 -28.228 23.398 0.633 1.00 0.00 C ATOM 583 CG ASP B 453 -29.376 23.957 -0.207 1.00 0.00 C ATOM 584 OD1 ASP B 453 -30.525 23.879 0.284 1.00 0.00 O ATOM 585 OD2 ASP B 453 -29.097 24.452 -1.320 1.00 0.00 O ATOM 0 H ASP B 453 -26.168 22.752 1.776 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.711 24.010 -0.773 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.153 22.323 0.470 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.450 23.546 1.690 1.00 0.00 H new ATOM 590 N GLY B 454 -26.156 25.858 1.805 1.00 0.00 N ATOM 591 CA GLY B 454 -26.065 27.219 2.315 1.00 0.00 C ATOM 592 C GLY B 454 -25.168 28.071 1.424 1.00 0.00 C ATOM 593 O GLY B 454 -23.952 27.782 1.390 1.00 0.00 O ATOM 0 H GLY B 454 -25.610 25.181 2.338 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -27.060 27.661 2.366 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -25.670 27.206 3.331 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 -0.499 18.503 -1.709 1.00 0.00 O ATOM 599 C5' U A 1 -0.390 17.849 -0.457 1.00 0.00 C ATOM 600 C4' U A 1 -1.775 17.593 0.144 1.00 0.00 C ATOM 601 O4' U A 1 -2.403 18.830 0.459 1.00 0.00 O ATOM 602 C3' U A 1 -2.684 16.848 -0.828 1.00 0.00 C ATOM 603 O3' U A 1 -3.553 15.999 -0.101 1.00 0.00 O ATOM 604 C2' U A 1 -3.466 17.985 -1.467 1.00 0.00 C ATOM 605 O2' U A 1 -4.725 17.553 -1.945 1.00 0.00 O ATOM 606 C1' U A 1 -3.589 18.975 -0.314 1.00 0.00 C ATOM 607 N1 U A 1 -3.759 20.375 -0.784 1.00 0.00 N ATOM 608 C2 U A 1 -3.566 21.400 0.141 1.00 0.00 C ATOM 609 O2 U A 1 -3.301 21.187 1.321 1.00 0.00 O ATOM 610 N3 U A 1 -3.692 22.694 -0.342 1.00 0.00 N ATOM 611 C4 U A 1 -4.021 23.053 -1.636 1.00 0.00 C ATOM 612 O4 U A 1 -4.108 24.235 -1.957 1.00 0.00 O ATOM 613 C5 U A 1 -4.244 21.932 -2.520 1.00 0.00 C ATOM 614 C6 U A 1 -4.111 20.658 -2.083 1.00 0.00 C ATOM 0 H5' U A 1 0.201 18.458 0.227 1.00 0.00 H new ATOM 0 H5'' U A 1 0.139 16.904 -0.580 1.00 0.00 H new ATOM 0 H4' U A 1 -1.628 16.987 1.038 1.00 0.00 H new ATOM 0 H3' U A 1 -2.159 16.220 -1.548 1.00 0.00 H new ATOM 0 H2' U A 1 -2.986 18.410 -2.349 1.00 0.00 H new ATOM 0 HO2' U A 1 -4.651 17.317 -2.893 1.00 0.00 H new ATOM 0 HO5' U A 1 0.396 18.659 -2.076 1.00 0.00 H new ATOM 0 H1' U A 1 -4.481 18.763 0.276 1.00 0.00 H new ATOM 0 H3 U A 1 -3.526 23.452 0.320 1.00 0.00 H new ATOM 0 H5 U A 1 -4.522 22.114 -3.548 1.00 0.00 H new ATOM 0 H6 U A 1 -4.286 19.844 -2.771 1.00 0.00 H new ATOM 625 P G A 2 -3.092 14.524 0.350 1.00 0.00 P ATOM 626 OP1 G A 2 -3.960 14.095 1.471 1.00 0.00 O ATOM 627 OP2 G A 2 -1.621 14.512 0.517 1.00 0.00 O ATOM 628 O5' G A 2 -3.473 13.644 -0.943 1.00 0.00 O ATOM 629 C5' G A 2 -2.509 13.307 -1.913 1.00 0.00 C ATOM 630 C4' G A 2 -3.190 13.018 -3.252 1.00 0.00 C ATOM 631 O4' G A 2 -4.318 12.164 -3.093 1.00 0.00 O ATOM 632 C3' G A 2 -3.679 14.300 -3.918 1.00 0.00 C ATOM 633 O3' G A 2 -2.682 14.889 -4.732 1.00 0.00 O ATOM 634 C2' G A 2 -4.865 13.793 -4.719 1.00 0.00 C ATOM 635 O2' G A 2 -4.445 13.204 -5.934 1.00 0.00 O ATOM 636 C1' G A 2 -5.418 12.712 -3.805 1.00 0.00 C ATOM 637 N9 G A 2 -6.393 13.300 -2.854 1.00 0.00 N ATOM 638 C8 G A 2 -6.206 14.282 -1.915 1.00 0.00 C ATOM 639 N7 G A 2 -7.273 14.564 -1.219 1.00 0.00 N ATOM 640 C5 G A 2 -8.244 13.721 -1.747 1.00 0.00 C ATOM 641 C6 G A 2 -9.619 13.570 -1.395 1.00 0.00 C ATOM 642 O6 G A 2 -10.244 14.133 -0.502 1.00 0.00 O ATOM 643 N1 G A 2 -10.261 12.657 -2.218 1.00 0.00 N ATOM 644 C2 G A 2 -9.657 11.964 -3.237 1.00 0.00 C ATOM 645 N2 G A 2 -10.442 11.169 -3.959 1.00 0.00 N ATOM 646 N3 G A 2 -8.363 12.048 -3.537 1.00 0.00 N ATOM 647 C4 G A 2 -7.719 12.957 -2.763 1.00 0.00 C ATOM 0 H5' G A 2 -1.944 12.434 -1.587 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.796 14.123 -2.027 1.00 0.00 H new ATOM 0 H4' G A 2 -2.437 12.533 -3.873 1.00 0.00 H new ATOM 0 H3' G A 2 -3.935 15.096 -3.219 1.00 0.00 H new ATOM 0 H2' G A 2 -5.572 14.579 -4.986 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.593 13.600 -6.212 1.00 0.00 H new ATOM 0 H1' G A 2 -5.931 11.942 -4.382 1.00 0.00 H new ATOM 0 H8 G A 2 -5.259 14.778 -1.765 1.00 0.00 H new ATOM 0 H1 G A 2 -11.254 12.488 -2.054 1.00 0.00 H new ATOM 0 H21 G A 2 -10.050 10.628 -4.730 1.00 0.00 H new ATOM 0 H22 G A 2 -11.436 11.100 -3.742 1.00 0.00 H new ATOM 659 P G A 3 -2.844 16.399 -5.270 1.00 0.00 P ATOM 660 OP1 G A 3 -1.499 17.022 -5.275 1.00 0.00 O ATOM 661 OP2 G A 3 -3.948 17.046 -4.527 1.00 0.00 O ATOM 662 O5' G A 3 -3.305 16.217 -6.806 1.00 0.00 O ATOM 663 C5' G A 3 -4.665 16.282 -7.181 1.00 0.00 C ATOM 664 C4' G A 3 -4.766 16.466 -8.699 1.00 0.00 C ATOM 665 O4' G A 3 -6.119 16.701 -9.051 1.00 0.00 O ATOM 666 C3' G A 3 -3.983 17.713 -9.110 1.00 0.00 C ATOM 667 O3' G A 3 -3.629 17.709 -10.480 1.00 0.00 O ATOM 668 C2' G A 3 -5.007 18.802 -8.835 1.00 0.00 C ATOM 669 O2' G A 3 -4.846 19.906 -9.701 1.00 0.00 O ATOM 670 C1' G A 3 -6.350 18.102 -9.058 1.00 0.00 C ATOM 671 N9 G A 3 -7.338 18.494 -8.034 1.00 0.00 N ATOM 672 C8 G A 3 -7.275 19.525 -7.126 1.00 0.00 C ATOM 673 N7 G A 3 -8.328 19.632 -6.368 1.00 0.00 N ATOM 674 C5 G A 3 -9.158 18.605 -6.808 1.00 0.00 C ATOM 675 C6 G A 3 -10.464 18.239 -6.376 1.00 0.00 C ATOM 676 O6 G A 3 -11.152 18.761 -5.501 1.00 0.00 O ATOM 677 N1 G A 3 -10.959 17.152 -7.074 1.00 0.00 N ATOM 678 C2 G A 3 -10.274 16.477 -8.057 1.00 0.00 C ATOM 679 N2 G A 3 -10.898 15.432 -8.602 1.00 0.00 N ATOM 680 N3 G A 3 -9.057 16.820 -8.485 1.00 0.00 N ATOM 681 C4 G A 3 -8.555 17.892 -7.814 1.00 0.00 C ATOM 0 H5' G A 3 -5.155 17.110 -6.670 1.00 0.00 H new ATOM 0 H5'' G A 3 -5.181 15.371 -6.879 1.00 0.00 H new ATOM 0 H4' G A 3 -4.376 15.574 -9.189 1.00 0.00 H new ATOM 0 H3' G A 3 -3.034 17.817 -8.584 1.00 0.00 H new ATOM 0 H2' G A 3 -4.911 19.220 -7.833 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.301 19.641 -10.471 1.00 0.00 H new ATOM 0 H1' G A 3 -6.771 18.402 -10.018 1.00 0.00 H new ATOM 0 H8 G A 3 -6.426 20.188 -7.049 1.00 0.00 H new ATOM 0 H1 G A 3 -11.898 16.828 -6.843 1.00 0.00 H new ATOM 0 H21 G A 3 -10.441 14.891 -9.336 1.00 0.00 H new ATOM 0 H22 G A 3 -11.832 15.174 -8.285 1.00 0.00 H new ATOM 693 P U A 4 -2.772 16.513 -11.129 1.00 0.00 P ATOM 694 OP1 U A 4 -2.117 15.745 -10.045 1.00 0.00 O ATOM 695 OP2 U A 4 -1.956 17.068 -12.234 1.00 0.00 O ATOM 696 O5' U A 4 -3.934 15.607 -11.772 1.00 0.00 O ATOM 697 C5' U A 4 -4.690 16.113 -12.850 1.00 0.00 C ATOM 698 C4' U A 4 -5.933 15.260 -13.081 1.00 0.00 C ATOM 699 O4' U A 4 -6.823 15.361 -11.978 1.00 0.00 O ATOM 700 C3' U A 4 -6.691 15.782 -14.291 1.00 0.00 C ATOM 701 O3' U A 4 -6.211 15.221 -15.496 1.00 0.00 O ATOM 702 C2' U A 4 -8.121 15.366 -13.985 1.00 0.00 C ATOM 703 O2' U A 4 -8.391 14.070 -14.474 1.00 0.00 O ATOM 704 C1' U A 4 -8.159 15.338 -12.459 1.00 0.00 C ATOM 705 N1 U A 4 -8.913 16.513 -11.964 1.00 0.00 N ATOM 706 C2 U A 4 -10.212 16.306 -11.528 1.00 0.00 C ATOM 707 O2 U A 4 -10.722 15.190 -11.492 1.00 0.00 O ATOM 708 N3 U A 4 -10.913 17.429 -11.126 1.00 0.00 N ATOM 709 C4 U A 4 -10.416 18.722 -11.087 1.00 0.00 C ATOM 710 O4 U A 4 -11.123 19.647 -10.693 1.00 0.00 O ATOM 711 C5 U A 4 -9.047 18.846 -11.539 1.00 0.00 C ATOM 712 C6 U A 4 -8.353 17.761 -11.959 1.00 0.00 C ATOM 0 H5' U A 4 -4.080 16.129 -13.753 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.982 17.143 -12.645 1.00 0.00 H new ATOM 0 H4' U A 4 -5.605 14.230 -13.220 1.00 0.00 H new ATOM 0 H3' U A 4 -6.583 16.856 -14.444 1.00 0.00 H new ATOM 0 H2' U A 4 -8.851 16.035 -14.441 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.437 14.093 -15.453 1.00 0.00 H new ATOM 0 H1' U A 4 -8.657 14.436 -12.103 1.00 0.00 H new ATOM 0 H3 U A 4 -11.880 17.293 -10.833 1.00 0.00 H new ATOM 0 H5 U A 4 -8.572 19.816 -11.542 1.00 0.00 H new ATOM 0 H6 U A 4 -7.335 17.884 -12.297 1.00 0.00 H new ATOM 723 P G A 5 -6.868 15.625 -16.909 1.00 0.00 P ATOM 724 OP1 G A 5 -7.077 17.089 -16.916 1.00 0.00 O ATOM 725 OP2 G A 5 -8.009 14.717 -17.168 1.00 0.00 O ATOM 726 O5' G A 5 -5.704 15.284 -17.967 1.00 0.00 O ATOM 727 C5' G A 5 -5.277 13.955 -18.165 1.00 0.00 C ATOM 728 C4' G A 5 -4.318 13.890 -19.355 1.00 0.00 C ATOM 729 O4' G A 5 -3.108 14.582 -19.076 1.00 0.00 O ATOM 730 C3' G A 5 -3.963 12.434 -19.666 1.00 0.00 C ATOM 731 O3' G A 5 -4.694 11.927 -20.763 1.00 0.00 O ATOM 732 C2' G A 5 -2.479 12.505 -19.983 1.00 0.00 C ATOM 733 O2' G A 5 -2.267 12.857 -21.339 1.00 0.00 O ATOM 734 C1' G A 5 -2.034 13.657 -19.089 1.00 0.00 C ATOM 735 N9 G A 5 -1.762 13.195 -17.705 1.00 0.00 N ATOM 736 C8 G A 5 -1.476 11.933 -17.254 1.00 0.00 C ATOM 737 N7 G A 5 -1.296 11.857 -15.965 1.00 0.00 N ATOM 738 C5 G A 5 -1.458 13.167 -15.527 1.00 0.00 C ATOM 739 C6 G A 5 -1.368 13.709 -14.211 1.00 0.00 C ATOM 740 O6 G A 5 -1.132 13.123 -13.157 1.00 0.00 O ATOM 741 N1 G A 5 -1.588 15.077 -14.203 1.00 0.00 N ATOM 742 C2 G A 5 -1.850 15.838 -15.317 1.00 0.00 C ATOM 743 N2 G A 5 -2.022 17.145 -15.117 1.00 0.00 N ATOM 744 N3 G A 5 -1.936 15.342 -16.554 1.00 0.00 N ATOM 745 C4 G A 5 -1.733 13.998 -16.585 1.00 0.00 C ATOM 0 H5' G A 5 -6.137 13.310 -18.344 1.00 0.00 H new ATOM 0 H5'' G A 5 -4.782 13.585 -17.267 1.00 0.00 H new ATOM 0 H4' G A 5 -4.820 14.354 -20.204 1.00 0.00 H new ATOM 0 H3' G A 5 -4.202 11.761 -18.843 1.00 0.00 H new ATOM 0 H2' G A 5 -1.953 11.564 -19.824 1.00 0.00 H new ATOM 0 HO2' G A 5 -3.074 12.659 -21.858 1.00 0.00 H new ATOM 0 HO3' G A 5 -4.435 10.996 -20.927 1.00 0.00 H new ATOM 0 H1' G A 5 -1.112 14.098 -19.467 1.00 0.00 H new ATOM 0 H8 G A 5 -1.406 11.077 -17.909 1.00 0.00 H new ATOM 0 H1 G A 5 -1.553 15.555 -13.303 1.00 0.00 H new ATOM 0 H21 G A 5 -2.219 17.760 -15.906 1.00 0.00 H new ATOM 0 H22 G A 5 -1.956 17.530 -14.175 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.812 22.729 -9.779 1.00 0.00 ZN