USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=12 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= 0.345 K(o=0.73,f=-1.8) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -133:sc= 0.382 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 1 K(o=1.4,f=-3.1!) USER MOD Set 2.2: B 437 ASN : amide:sc= 0.405 K(o=1.4,f=-5.4!) USER MOD Single : A 1 U O2' : rot 124:sc= 0.725 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -13:sc=-0.00553 USER MOD Single : A 3 G O2' : rot 16:sc= 0.195 USER MOD Single : A 4 U O2' : rot 2:sc= 0.403 USER MOD Single : A 5 G O2' : rot 178:sc= 0 USER MOD Single : A 5 G O3' : rot 135:sc= 0.248 USER MOD Single : B 418 SER OG : rot 180:sc= 0 USER MOD Single : B 420 GLN : amide:sc= 0.688 K(o=0.69,f=-5.3!) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.37 K(o=-0.37,f=-6.3!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl -165:sc= -1.14 (180deg=-1.53) USER MOD Single : B 439 SER OG : rot 76:sc= 0.147 USER MOD Single : B 445 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : B 446 GLN : amide:sc= 0.608 K(o=0.61,f=-1.2) USER MOD Single : B 448 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -22.825 14.354 -17.019 1.00 0.00 N ATOM 2 CA GLY B 414 -21.905 13.323 -16.514 1.00 0.00 C ATOM 3 C GLY B 414 -20.708 13.957 -15.818 1.00 0.00 C ATOM 4 O GLY B 414 -20.232 15.007 -16.249 1.00 0.00 O ATOM 0 HA2 GLY B 414 -22.431 12.670 -15.818 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -21.562 12.699 -17.340 1.00 0.00 H new ATOM 10 N PRO B 415 -20.219 13.327 -14.741 1.00 0.00 N ATOM 11 CA PRO B 415 -19.097 13.814 -13.959 1.00 0.00 C ATOM 12 C PRO B 415 -17.802 13.736 -14.759 1.00 0.00 C ATOM 13 O PRO B 415 -17.708 12.989 -15.734 1.00 0.00 O ATOM 14 CB PRO B 415 -19.037 12.915 -12.724 1.00 0.00 C ATOM 15 CG PRO B 415 -19.702 11.619 -13.184 1.00 0.00 C ATOM 16 CD PRO B 415 -20.730 12.080 -14.211 1.00 0.00 C ATOM 0 HA PRO B 415 -19.222 14.861 -13.684 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -18.009 12.745 -12.402 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -19.566 13.358 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -18.978 10.932 -13.623 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -20.174 11.095 -12.353 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -20.854 11.340 -15.001 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -21.708 12.221 -13.751 1.00 0.00 H new ATOM 24 N LEU B 416 -16.795 14.509 -14.342 1.00 0.00 N ATOM 25 CA LEU B 416 -15.502 14.526 -15.009 1.00 0.00 C ATOM 26 C LEU B 416 -14.800 13.182 -14.819 1.00 0.00 C ATOM 27 O LEU B 416 -14.755 12.654 -13.708 1.00 0.00 O ATOM 28 CB LEU B 416 -14.673 15.693 -14.462 1.00 0.00 C ATOM 29 CG LEU B 416 -13.255 15.725 -15.047 1.00 0.00 C ATOM 30 CD1 LEU B 416 -13.295 15.927 -16.560 1.00 0.00 C ATOM 31 CD2 LEU B 416 -12.487 16.884 -14.417 1.00 0.00 C ATOM 0 H LEU B 416 -16.858 15.134 -13.538 1.00 0.00 H new ATOM 0 HA LEU B 416 -15.629 14.674 -16.081 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -15.178 16.632 -14.688 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -14.614 15.616 -13.376 1.00 0.00 H new ATOM 0 HG LEU B 416 -12.767 14.774 -14.832 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -12.278 15.946 -16.952 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -13.846 15.108 -17.022 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -13.789 16.871 -16.788 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -11.477 16.916 -14.826 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -12.998 17.821 -14.637 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -12.437 16.743 -13.337 1.00 0.00 H new ATOM 43 N GLY B 417 -14.257 12.625 -15.904 1.00 0.00 N ATOM 44 CA GLY B 417 -13.596 11.327 -15.875 1.00 0.00 C ATOM 45 C GLY B 417 -12.153 11.439 -15.401 1.00 0.00 C ATOM 46 O GLY B 417 -11.632 12.537 -15.213 1.00 0.00 O ATOM 0 H GLY B 417 -14.265 13.064 -16.825 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -14.144 10.654 -15.215 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -13.618 10.885 -16.871 1.00 0.00 H new ATOM 50 N SER B 418 -11.506 10.282 -15.214 1.00 0.00 N ATOM 51 CA SER B 418 -10.112 10.176 -14.791 1.00 0.00 C ATOM 52 C SER B 418 -9.830 10.872 -13.454 1.00 0.00 C ATOM 53 O SER B 418 -8.670 11.041 -13.083 1.00 0.00 O ATOM 54 CB SER B 418 -9.190 10.697 -15.898 1.00 0.00 C ATOM 55 OG SER B 418 -9.285 9.858 -17.031 1.00 0.00 O ATOM 0 H SER B 418 -11.951 9.375 -15.357 1.00 0.00 H new ATOM 0 HA SER B 418 -9.906 9.119 -14.620 1.00 0.00 H new ATOM 0 HB2 SER B 418 -9.466 11.717 -16.165 1.00 0.00 H new ATOM 0 HB3 SER B 418 -8.160 10.728 -15.542 1.00 0.00 H new ATOM 0 HG SER B 418 -8.696 10.195 -17.738 1.00 0.00 H new ATOM 61 N GLY B 419 -10.878 11.280 -12.731 1.00 0.00 N ATOM 62 CA GLY B 419 -10.725 11.948 -11.451 1.00 0.00 C ATOM 63 C GLY B 419 -10.521 10.937 -10.328 1.00 0.00 C ATOM 64 O GLY B 419 -11.011 9.811 -10.404 1.00 0.00 O ATOM 0 H GLY B 419 -11.848 11.154 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -9.875 12.629 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -11.608 12.553 -11.245 1.00 0.00 H new ATOM 68 N GLN B 420 -9.796 11.344 -9.285 1.00 0.00 N ATOM 69 CA GLN B 420 -9.582 10.515 -8.105 1.00 0.00 C ATOM 70 C GLN B 420 -10.845 10.508 -7.243 1.00 0.00 C ATOM 71 O GLN B 420 -11.703 11.379 -7.391 1.00 0.00 O ATOM 72 CB GLN B 420 -8.391 11.044 -7.294 1.00 0.00 C ATOM 73 CG GLN B 420 -7.089 11.043 -8.106 1.00 0.00 C ATOM 74 CD GLN B 420 -6.995 12.215 -9.081 1.00 0.00 C ATOM 75 OE1 GLN B 420 -7.765 13.169 -9.011 1.00 0.00 O ATOM 76 NE2 GLN B 420 -6.041 12.148 -10.005 1.00 0.00 N ATOM 0 H GLN B 420 -9.343 12.256 -9.237 1.00 0.00 H new ATOM 0 HA GLN B 420 -9.361 9.496 -8.422 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -8.606 12.058 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -8.261 10.432 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -6.241 11.077 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -7.014 10.108 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -5.417 11.342 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -5.933 12.903 -10.682 1.00 0.00 H new ATOM 85 N GLN B 421 -10.966 9.525 -6.345 1.00 0.00 N ATOM 86 CA GLN B 421 -12.115 9.429 -5.457 1.00 0.00 C ATOM 87 C GLN B 421 -11.746 8.737 -4.146 1.00 0.00 C ATOM 88 O GLN B 421 -11.025 7.737 -4.146 1.00 0.00 O ATOM 89 CB GLN B 421 -13.254 8.695 -6.169 1.00 0.00 C ATOM 90 CG GLN B 421 -14.477 8.568 -5.252 1.00 0.00 C ATOM 91 CD GLN B 421 -15.677 7.989 -5.991 1.00 0.00 C ATOM 92 OE1 GLN B 421 -15.587 7.635 -7.165 1.00 0.00 O ATOM 93 NE2 GLN B 421 -16.809 7.889 -5.307 1.00 0.00 N ATOM 0 H GLN B 421 -10.276 8.785 -6.218 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.448 10.436 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -13.528 9.233 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -12.919 7.704 -6.475 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.231 7.931 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.735 9.548 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -16.846 8.193 -4.334 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -17.643 7.508 -5.754 1.00 0.00 H new ATOM 102 N ARG B 422 -12.248 9.277 -3.030 1.00 0.00 N ATOM 103 CA ARG B 422 -12.032 8.743 -1.692 1.00 0.00 C ATOM 104 C ARG B 422 -13.265 8.996 -0.831 1.00 0.00 C ATOM 105 O ARG B 422 -14.071 9.882 -1.126 1.00 0.00 O ATOM 106 CB ARG B 422 -10.808 9.399 -1.039 1.00 0.00 C ATOM 107 CG ARG B 422 -9.502 9.023 -1.746 1.00 0.00 C ATOM 108 CD ARG B 422 -8.329 9.699 -1.034 1.00 0.00 C ATOM 109 NE ARG B 422 -7.093 9.584 -1.816 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.867 9.675 -1.299 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.692 9.916 -0.002 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.806 9.527 -2.085 1.00 0.00 N ATOM 0 H ARG B 422 -12.828 10.116 -3.038 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.854 7.671 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -10.928 10.482 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.752 9.098 0.007 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.371 7.941 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.537 9.335 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.560 10.751 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.185 9.245 -0.054 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.177 9.424 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.501 10.033 0.609 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -4.749 9.983 0.382 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.930 9.344 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.867 9.596 -1.693 1.00 0.00 H new ATOM 126 N ALA B 423 -13.414 8.216 0.241 1.00 0.00 N ATOM 127 CA ALA B 423 -14.534 8.379 1.151 1.00 0.00 C ATOM 128 C ALA B 423 -14.492 9.773 1.777 1.00 0.00 C ATOM 129 O ALA B 423 -13.470 10.172 2.339 1.00 0.00 O ATOM 130 CB ALA B 423 -14.483 7.289 2.220 1.00 0.00 C ATOM 0 H ALA B 423 -12.770 7.467 0.495 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.473 8.282 0.606 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.323 7.410 2.904 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.541 6.310 1.744 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.549 7.368 2.776 1.00 0.00 H new ATOM 136 N GLY B 424 -15.603 10.503 1.677 1.00 0.00 N ATOM 137 CA GLY B 424 -15.724 11.845 2.229 1.00 0.00 C ATOM 138 C GLY B 424 -15.751 12.896 1.122 1.00 0.00 C ATOM 139 O GLY B 424 -16.059 14.057 1.382 1.00 0.00 O ATOM 0 H GLY B 424 -16.447 10.175 1.207 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.635 11.916 2.824 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -14.888 12.042 2.901 1.00 0.00 H new ATOM 143 N ASP B 425 -15.432 12.492 -0.111 1.00 0.00 N ATOM 144 CA ASP B 425 -15.536 13.379 -1.263 1.00 0.00 C ATOM 145 C ASP B 425 -16.969 13.819 -1.524 1.00 0.00 C ATOM 146 O ASP B 425 -17.909 13.256 -0.960 1.00 0.00 O ATOM 147 CB ASP B 425 -14.970 12.694 -2.507 1.00 0.00 C ATOM 148 CG ASP B 425 -13.455 12.528 -2.444 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.917 11.936 -3.402 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.848 12.990 -1.450 1.00 0.00 O ATOM 0 H ASP B 425 -15.099 11.554 -0.333 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.954 14.272 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.435 11.715 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.232 13.277 -3.390 1.00 0.00 H new ATOM 155 N TRP B 426 -17.145 14.825 -2.384 1.00 0.00 N ATOM 156 CA TRP B 426 -18.470 15.317 -2.718 1.00 0.00 C ATOM 157 C TRP B 426 -18.488 15.886 -4.130 1.00 0.00 C ATOM 158 O TRP B 426 -17.549 16.563 -4.551 1.00 0.00 O ATOM 159 CB TRP B 426 -18.895 16.357 -1.685 1.00 0.00 C ATOM 160 CG TRP B 426 -18.055 17.598 -1.626 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.936 17.761 -0.887 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.216 18.846 -2.368 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.418 19.021 -1.092 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.165 19.733 -2.005 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.171 19.334 -3.277 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.067 21.028 -2.524 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.079 20.630 -3.805 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.030 21.478 -3.431 1.00 0.00 C ATOM 0 H TRP B 426 -16.383 15.310 -2.858 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.184 14.494 -2.694 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.925 16.647 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.887 15.888 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.511 17.014 -0.233 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.585 19.382 -0.626 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -19.992 18.698 -3.575 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.254 21.674 -2.226 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.824 20.977 -4.506 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.965 22.475 -3.841 1.00 0.00 H new ATOM 179 N LYS B 427 -19.563 15.607 -4.874 1.00 0.00 N ATOM 180 CA LYS B 427 -19.690 16.058 -6.248 1.00 0.00 C ATOM 181 C LYS B 427 -20.351 17.430 -6.289 1.00 0.00 C ATOM 182 O LYS B 427 -21.218 17.729 -5.470 1.00 0.00 O ATOM 183 CB LYS B 427 -20.496 15.033 -7.044 1.00 0.00 C ATOM 184 CG LYS B 427 -20.470 15.355 -8.542 1.00 0.00 C ATOM 185 CD LYS B 427 -21.564 14.585 -9.277 1.00 0.00 C ATOM 186 CE LYS B 427 -22.928 15.182 -8.927 1.00 0.00 C ATOM 187 NZ LYS B 427 -24.016 14.468 -9.620 1.00 0.00 N ATOM 0 H LYS B 427 -20.359 15.066 -4.537 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.702 16.150 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.089 14.036 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.527 15.021 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.608 16.426 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.496 15.098 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.398 14.634 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.533 13.532 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.085 15.131 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.948 16.236 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.929 14.894 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.877 14.538 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -24.010 13.467 -9.337 1.00 0.00 H new ATOM 201 N CYS B 428 -19.939 18.260 -7.246 1.00 0.00 N ATOM 202 CA CYS B 428 -20.491 19.591 -7.421 1.00 0.00 C ATOM 203 C CYS B 428 -21.995 19.500 -7.708 1.00 0.00 C ATOM 204 O CYS B 428 -22.408 18.722 -8.572 1.00 0.00 O ATOM 205 CB CYS B 428 -19.746 20.278 -8.564 1.00 0.00 C ATOM 206 SG CYS B 428 -20.300 21.989 -8.679 1.00 0.00 S ATOM 0 H CYS B 428 -19.211 18.022 -7.920 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.365 20.179 -6.512 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.671 20.241 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.934 19.757 -9.503 1.00 0.00 H new ATOM 211 N PRO B 429 -22.817 20.285 -6.994 1.00 0.00 N ATOM 212 CA PRO B 429 -24.264 20.285 -7.144 1.00 0.00 C ATOM 213 C PRO B 429 -24.693 20.953 -8.451 1.00 0.00 C ATOM 214 O PRO B 429 -25.844 20.821 -8.862 1.00 0.00 O ATOM 215 CB PRO B 429 -24.790 21.064 -5.941 1.00 0.00 C ATOM 216 CG PRO B 429 -23.643 22.014 -5.591 1.00 0.00 C ATOM 217 CD PRO B 429 -22.392 21.224 -5.969 1.00 0.00 C ATOM 0 HA PRO B 429 -24.660 19.270 -7.183 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.701 21.610 -6.185 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -25.029 20.402 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.711 22.947 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.648 22.275 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.610 21.884 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.982 20.702 -5.105 1.00 0.00 H new ATOM 225 N ASN B 430 -23.778 21.673 -9.107 1.00 0.00 N ATOM 226 CA ASN B 430 -24.078 22.352 -10.359 1.00 0.00 C ATOM 227 C ASN B 430 -24.237 21.291 -11.453 1.00 0.00 C ATOM 228 O ASN B 430 -23.326 20.484 -11.648 1.00 0.00 O ATOM 229 CB ASN B 430 -22.912 23.292 -10.695 1.00 0.00 C ATOM 230 CG ASN B 430 -23.353 24.604 -11.335 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.509 24.773 -11.707 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.416 25.535 -11.466 1.00 0.00 N ATOM 0 H ASN B 430 -22.819 21.798 -8.784 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.996 22.934 -10.282 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.357 23.511 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.226 22.780 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.646 26.434 -11.890 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.466 25.352 -11.142 1.00 0.00 H new ATOM 239 N PRO B 431 -25.368 21.271 -12.175 1.00 0.00 N ATOM 240 CA PRO B 431 -25.595 20.324 -13.251 1.00 0.00 C ATOM 241 C PRO B 431 -24.650 20.592 -14.424 1.00 0.00 C ATOM 242 O PRO B 431 -24.447 19.723 -15.270 1.00 0.00 O ATOM 243 CB PRO B 431 -27.056 20.515 -13.664 1.00 0.00 C ATOM 244 CG PRO B 431 -27.380 21.947 -13.232 1.00 0.00 C ATOM 245 CD PRO B 431 -26.499 22.161 -12.004 1.00 0.00 C ATOM 0 HA PRO B 431 -25.401 19.300 -12.934 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.188 20.383 -14.738 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.707 19.793 -13.172 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.151 22.665 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.437 22.064 -12.992 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.174 23.199 -11.931 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.042 21.932 -11.087 1.00 0.00 H new ATOM 253 N THR B 432 -24.074 21.797 -14.467 1.00 0.00 N ATOM 254 CA THR B 432 -23.091 22.172 -15.476 1.00 0.00 C ATOM 255 C THR B 432 -21.650 21.870 -15.049 1.00 0.00 C ATOM 256 O THR B 432 -20.713 22.162 -15.790 1.00 0.00 O ATOM 257 CB THR B 432 -23.267 23.629 -15.902 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.572 24.474 -15.008 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.744 24.032 -15.923 1.00 0.00 C ATOM 0 H THR B 432 -24.280 22.539 -13.799 1.00 0.00 H new ATOM 0 HA THR B 432 -23.280 21.544 -16.347 1.00 0.00 H new ATOM 0 HB THR B 432 -22.866 23.732 -16.910 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.685 25.407 -15.285 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.832 25.074 -16.230 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.284 23.399 -16.627 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.169 23.910 -14.927 1.00 0.00 H new ATOM 267 N CYS B 433 -21.479 21.291 -13.854 1.00 0.00 N ATOM 268 CA CYS B 433 -20.169 21.013 -13.292 1.00 0.00 C ATOM 269 C CYS B 433 -20.004 19.515 -13.043 1.00 0.00 C ATOM 270 O CYS B 433 -19.232 18.847 -13.732 1.00 0.00 O ATOM 271 CB CYS B 433 -20.013 21.806 -11.998 1.00 0.00 C ATOM 272 SG CYS B 433 -18.345 21.578 -11.346 1.00 0.00 S ATOM 0 H CYS B 433 -22.253 21.005 -13.255 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.392 21.316 -13.993 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.201 22.864 -12.183 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.749 21.475 -11.266 1.00 0.00 H new ATOM 277 N GLU B 434 -20.737 18.993 -12.050 1.00 0.00 N ATOM 278 CA GLU B 434 -20.698 17.588 -11.666 1.00 0.00 C ATOM 279 C GLU B 434 -19.271 17.090 -11.390 1.00 0.00 C ATOM 280 O GLU B 434 -19.015 15.889 -11.433 1.00 0.00 O ATOM 281 CB GLU B 434 -21.420 16.727 -12.710 1.00 0.00 C ATOM 282 CG GLU B 434 -22.903 17.115 -12.754 1.00 0.00 C ATOM 283 CD GLU B 434 -23.702 16.222 -13.707 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.948 16.343 -13.689 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.065 15.435 -14.443 1.00 0.00 O ATOM 0 H GLU B 434 -21.381 19.549 -11.487 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.231 17.491 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.966 16.869 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.316 15.671 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.326 17.045 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -22.996 18.155 -13.068 1.00 0.00 H new ATOM 292 N ASN B 435 -18.340 18.008 -11.112 1.00 0.00 N ATOM 293 CA ASN B 435 -16.966 17.642 -10.804 1.00 0.00 C ATOM 294 C ASN B 435 -16.890 16.969 -9.435 1.00 0.00 C ATOM 295 O ASN B 435 -17.593 17.364 -8.506 1.00 0.00 O ATOM 296 CB ASN B 435 -16.100 18.900 -10.823 1.00 0.00 C ATOM 297 CG ASN B 435 -14.639 18.562 -10.577 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.061 17.732 -11.274 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.030 19.206 -9.589 1.00 0.00 N ATOM 0 H ASN B 435 -18.520 19.012 -11.096 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.602 16.937 -11.551 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.203 19.402 -11.785 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.449 19.597 -10.061 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.048 19.018 -9.387 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.544 19.889 -9.032 1.00 0.00 H new ATOM 306 N MET B 436 -16.032 15.955 -9.304 1.00 0.00 N ATOM 307 CA MET B 436 -15.811 15.286 -8.031 1.00 0.00 C ATOM 308 C MET B 436 -14.798 16.083 -7.207 1.00 0.00 C ATOM 309 O MET B 436 -13.594 15.989 -7.435 1.00 0.00 O ATOM 310 CB MET B 436 -15.309 13.862 -8.284 1.00 0.00 C ATOM 311 CG MET B 436 -15.074 13.114 -6.967 1.00 0.00 C ATOM 312 SD MET B 436 -16.359 11.917 -6.531 1.00 0.00 S ATOM 313 CE MET B 436 -17.667 13.069 -6.073 1.00 0.00 C ATOM 0 H MET B 436 -15.477 15.581 -10.074 1.00 0.00 H new ATOM 0 HA MET B 436 -16.745 15.230 -7.472 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.036 13.320 -8.888 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.382 13.897 -8.856 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.118 12.593 -7.027 1.00 0.00 H new ATOM 0 HG3 MET B 436 -14.989 13.844 -6.162 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.446 12.537 -5.526 1.00 0.00 H new ATOM 0 HE2 MET B 436 -17.254 13.856 -5.442 1.00 0.00 H new ATOM 0 HE3 MET B 436 -18.094 13.512 -6.973 1.00 0.00 H new ATOM 323 N ASN B 437 -15.287 16.874 -6.249 1.00 0.00 N ATOM 324 CA ASN B 437 -14.428 17.688 -5.402 1.00 0.00 C ATOM 325 C ASN B 437 -13.928 16.874 -4.212 1.00 0.00 C ATOM 326 O ASN B 437 -14.629 15.990 -3.717 1.00 0.00 O ATOM 327 CB ASN B 437 -15.203 18.922 -4.936 1.00 0.00 C ATOM 328 CG ASN B 437 -15.686 19.750 -6.118 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.900 20.126 -6.983 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.978 20.042 -6.156 1.00 0.00 N ATOM 0 H ASN B 437 -16.282 16.964 -6.044 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.557 18.012 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.057 18.612 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.567 19.534 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.353 20.599 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.598 19.710 -5.417 1.00 0.00 H new ATOM 337 N PHE B 438 -12.710 17.172 -3.746 1.00 0.00 N ATOM 338 CA PHE B 438 -12.124 16.463 -2.624 1.00 0.00 C ATOM 339 C PHE B 438 -12.791 16.795 -1.291 1.00 0.00 C ATOM 340 O PHE B 438 -13.434 17.836 -1.157 1.00 0.00 O ATOM 341 CB PHE B 438 -10.604 16.663 -2.587 1.00 0.00 C ATOM 342 CG PHE B 438 -9.848 16.021 -3.735 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.640 16.586 -4.170 1.00 0.00 C ATOM 344 CD2 PHE B 438 -10.337 14.866 -4.369 1.00 0.00 C ATOM 345 CE1 PHE B 438 -7.907 15.988 -5.200 1.00 0.00 C ATOM 346 CE2 PHE B 438 -9.613 14.280 -5.415 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.394 14.834 -5.824 1.00 0.00 C ATOM 0 H PHE B 438 -12.116 17.904 -4.136 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.315 15.401 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.393 17.732 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.222 16.260 -1.649 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -8.273 17.490 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -11.272 14.430 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -6.966 16.416 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.996 13.398 -5.907 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.830 14.371 -6.620 1.00 0.00 H new ATOM 357 N SER B 439 -12.642 15.901 -0.306 1.00 0.00 N ATOM 358 CA SER B 439 -13.358 15.999 0.958 1.00 0.00 C ATOM 359 C SER B 439 -13.023 17.279 1.723 1.00 0.00 C ATOM 360 O SER B 439 -13.855 17.785 2.476 1.00 0.00 O ATOM 361 CB SER B 439 -13.000 14.778 1.808 1.00 0.00 C ATOM 362 OG SER B 439 -13.669 14.840 3.054 1.00 0.00 O ATOM 0 H SER B 439 -12.022 15.094 -0.369 1.00 0.00 H new ATOM 0 HA SER B 439 -14.427 16.030 0.746 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.278 13.865 1.282 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.922 14.739 1.967 1.00 0.00 H new ATOM 0 HG SER B 439 -14.612 14.604 2.931 1.00 0.00 H new ATOM 368 N TRP B 440 -11.810 17.812 1.536 1.00 0.00 N ATOM 369 CA TRP B 440 -11.371 18.989 2.269 1.00 0.00 C ATOM 370 C TRP B 440 -11.843 20.298 1.631 1.00 0.00 C ATOM 371 O TRP B 440 -11.715 21.357 2.243 1.00 0.00 O ATOM 372 CB TRP B 440 -9.853 18.964 2.429 1.00 0.00 C ATOM 373 CG TRP B 440 -9.079 18.646 1.190 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.663 17.418 0.816 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.665 19.542 0.117 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.995 17.497 -0.383 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.959 18.789 -0.860 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.805 20.924 -0.122 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.391 19.376 -1.996 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.252 21.523 -1.262 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.536 20.753 -2.198 1.00 0.00 C ATOM 0 H TRP B 440 -11.120 17.442 0.882 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.835 18.953 3.255 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.528 19.936 2.799 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.598 18.230 3.194 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.830 16.509 1.375 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.578 16.698 -0.860 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.348 21.532 0.586 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.847 18.773 -2.708 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.376 22.584 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.101 21.223 -3.068 1.00 0.00 H new ATOM 392 N ARG B 441 -12.388 20.244 0.411 1.00 0.00 N ATOM 393 CA ARG B 441 -12.925 21.434 -0.239 1.00 0.00 C ATOM 394 C ARG B 441 -14.306 21.766 0.322 1.00 0.00 C ATOM 395 O ARG B 441 -15.057 20.867 0.700 1.00 0.00 O ATOM 396 CB ARG B 441 -13.004 21.234 -1.754 1.00 0.00 C ATOM 397 CG ARG B 441 -11.606 21.218 -2.370 1.00 0.00 C ATOM 398 CD ARG B 441 -11.715 21.237 -3.899 1.00 0.00 C ATOM 399 NE ARG B 441 -10.389 21.234 -4.523 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.612 22.315 -4.632 1.00 0.00 C ATOM 401 NH1 ARG B 441 -10.018 23.499 -4.176 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.416 22.208 -5.204 1.00 0.00 N ATOM 0 H ARG B 441 -12.467 19.390 -0.141 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.253 22.268 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.515 20.297 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.595 22.034 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -11.036 22.081 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.065 20.329 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.281 20.369 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.268 22.121 -4.216 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.038 20.352 -4.897 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.934 23.589 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.413 24.315 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.098 21.305 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.817 23.029 -5.291 1.00 0.00 H new ATOM 416 N ASN B 442 -14.641 23.060 0.367 1.00 0.00 N ATOM 417 CA ASN B 442 -15.971 23.515 0.752 1.00 0.00 C ATOM 418 C ASN B 442 -16.671 24.179 -0.434 1.00 0.00 C ATOM 419 O ASN B 442 -17.856 24.503 -0.358 1.00 0.00 O ATOM 420 CB ASN B 442 -15.871 24.468 1.945 1.00 0.00 C ATOM 421 CG ASN B 442 -15.320 23.769 3.179 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.543 22.579 3.377 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.599 24.509 4.016 1.00 0.00 N ATOM 0 H ASN B 442 -13.996 23.816 0.137 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.571 22.656 1.052 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.228 25.309 1.686 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.857 24.877 2.168 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.208 24.090 4.860 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.437 25.496 3.814 1.00 0.00 H new ATOM 430 N GLU B 443 -15.933 24.377 -1.529 1.00 0.00 N ATOM 431 CA GLU B 443 -16.453 24.956 -2.756 1.00 0.00 C ATOM 432 C GLU B 443 -15.960 24.154 -3.955 1.00 0.00 C ATOM 433 O GLU B 443 -14.949 23.459 -3.871 1.00 0.00 O ATOM 434 CB GLU B 443 -16.019 26.421 -2.888 1.00 0.00 C ATOM 435 CG GLU B 443 -16.295 27.219 -1.609 1.00 0.00 C ATOM 436 CD GLU B 443 -15.142 27.159 -0.602 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.285 27.806 0.462 1.00 0.00 O ATOM 438 OE2 GLU B 443 -14.132 26.478 -0.894 1.00 0.00 O ATOM 0 H GLU B 443 -14.944 24.134 -1.582 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.542 24.921 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.955 26.464 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.546 26.881 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -16.486 28.259 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -17.201 26.837 -1.138 1.00 0.00 H new ATOM 445 N CYS B 444 -16.682 24.256 -5.070 1.00 0.00 N ATOM 446 CA CYS B 444 -16.358 23.522 -6.277 1.00 0.00 C ATOM 447 C CYS B 444 -15.012 23.980 -6.830 1.00 0.00 C ATOM 448 O CYS B 444 -14.632 25.141 -6.682 1.00 0.00 O ATOM 449 CB CYS B 444 -17.473 23.707 -7.301 1.00 0.00 C ATOM 450 SG CYS B 444 -17.089 22.737 -8.773 1.00 0.00 S ATOM 0 H CYS B 444 -17.506 24.851 -5.155 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.275 22.460 -6.047 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.427 23.390 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.574 24.761 -7.561 1.00 0.00 H new ATOM 455 N ASN B 445 -14.296 23.059 -7.473 1.00 0.00 N ATOM 456 CA ASN B 445 -12.963 23.319 -7.987 1.00 0.00 C ATOM 457 C ASN B 445 -13.043 23.830 -9.427 1.00 0.00 C ATOM 458 O ASN B 445 -12.012 24.032 -10.065 1.00 0.00 O ATOM 459 CB ASN B 445 -12.167 22.014 -7.918 1.00 0.00 C ATOM 460 CG ASN B 445 -10.670 22.260 -7.881 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.213 23.365 -7.595 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.898 21.220 -8.167 1.00 0.00 N ATOM 0 H ASN B 445 -14.629 22.111 -7.650 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.468 24.086 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.464 21.455 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.411 21.395 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.883 21.320 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.319 20.321 -8.399 1.00 0.00 H new ATOM 469 N GLN B 446 -14.263 24.033 -9.945 1.00 0.00 N ATOM 470 CA GLN B 446 -14.463 24.349 -11.353 1.00 0.00 C ATOM 471 C GLN B 446 -15.487 25.466 -11.544 1.00 0.00 C ATOM 472 O GLN B 446 -15.373 26.257 -12.478 1.00 0.00 O ATOM 473 CB GLN B 446 -14.943 23.087 -12.067 1.00 0.00 C ATOM 474 CG GLN B 446 -13.962 21.924 -11.897 1.00 0.00 C ATOM 475 CD GLN B 446 -12.648 22.182 -12.620 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.564 23.034 -13.502 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.609 21.444 -12.255 1.00 0.00 N ATOM 0 H GLN B 446 -15.125 23.982 -9.401 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.518 24.697 -11.770 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.919 22.798 -11.676 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.074 23.298 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.768 21.764 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.414 21.009 -12.280 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.713 20.745 -11.519 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.706 21.575 -12.710 1.00 0.00 H new ATOM 486 N CYS B 447 -16.489 25.532 -10.664 1.00 0.00 N ATOM 487 CA CYS B 447 -17.538 26.547 -10.740 1.00 0.00 C ATOM 488 C CYS B 447 -17.757 27.244 -9.393 1.00 0.00 C ATOM 489 O CYS B 447 -18.653 28.079 -9.267 1.00 0.00 O ATOM 490 CB CYS B 447 -18.820 25.896 -11.264 1.00 0.00 C ATOM 491 SG CYS B 447 -19.319 24.568 -10.141 1.00 0.00 S ATOM 0 H CYS B 447 -16.594 24.885 -9.882 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.229 27.330 -11.433 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.613 26.639 -11.342 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.656 25.498 -12.266 1.00 0.00 H new ATOM 496 N LYS B 448 -16.939 26.904 -8.389 1.00 0.00 N ATOM 497 CA LYS B 448 -16.952 27.536 -7.070 1.00 0.00 C ATOM 498 C LYS B 448 -18.308 27.433 -6.365 1.00 0.00 C ATOM 499 O LYS B 448 -18.559 28.172 -5.416 1.00 0.00 O ATOM 500 CB LYS B 448 -16.471 28.987 -7.172 1.00 0.00 C ATOM 501 CG LYS B 448 -15.058 29.031 -7.761 1.00 0.00 C ATOM 502 CD LYS B 448 -14.520 30.462 -7.758 1.00 0.00 C ATOM 503 CE LYS B 448 -15.395 31.370 -8.619 1.00 0.00 C ATOM 504 NZ LYS B 448 -14.866 32.744 -8.641 1.00 0.00 N ATOM 0 H LYS B 448 -16.238 26.168 -8.475 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.256 26.982 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.153 29.562 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.477 29.451 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.396 28.386 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.070 28.643 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.488 30.842 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -13.497 30.472 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -15.443 30.978 -9.635 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -16.414 31.375 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -15.478 33.342 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -14.843 33.123 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -13.903 32.739 -9.033 1.00 0.00 H new ATOM 518 N ALA B 449 -19.180 26.525 -6.811 1.00 0.00 N ATOM 519 CA ALA B 449 -20.448 26.293 -6.136 1.00 0.00 C ATOM 520 C ALA B 449 -20.185 25.693 -4.753 1.00 0.00 C ATOM 521 O ALA B 449 -19.283 24.871 -4.603 1.00 0.00 O ATOM 522 CB ALA B 449 -21.315 25.360 -6.979 1.00 0.00 C ATOM 0 H ALA B 449 -19.027 25.943 -7.634 1.00 0.00 H new ATOM 0 HA ALA B 449 -20.980 27.236 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.264 25.188 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.501 25.816 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.799 24.410 -7.117 1.00 0.00 H new ATOM 528 N PRO B 450 -20.957 26.090 -3.731 1.00 0.00 N ATOM 529 CA PRO B 450 -20.759 25.644 -2.367 1.00 0.00 C ATOM 530 C PRO B 450 -21.109 24.163 -2.217 1.00 0.00 C ATOM 531 O PRO B 450 -21.972 23.647 -2.925 1.00 0.00 O ATOM 532 CB PRO B 450 -21.671 26.523 -1.513 1.00 0.00 C ATOM 533 CG PRO B 450 -22.776 26.954 -2.481 1.00 0.00 C ATOM 534 CD PRO B 450 -22.072 27.006 -3.834 1.00 0.00 C ATOM 0 HA PRO B 450 -19.717 25.736 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.076 25.973 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.135 27.382 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.603 26.244 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.191 27.924 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.747 26.712 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.729 28.016 -4.058 1.00 0.00 H new ATOM 542 N LYS B 451 -20.432 23.480 -1.286 1.00 0.00 N ATOM 543 CA LYS B 451 -20.735 22.093 -0.956 1.00 0.00 C ATOM 544 C LYS B 451 -22.100 21.992 -0.261 1.00 0.00 C ATOM 545 O LYS B 451 -22.959 21.242 -0.729 1.00 0.00 O ATOM 546 CB LYS B 451 -19.600 21.510 -0.102 1.00 0.00 C ATOM 547 CG LYS B 451 -19.918 20.099 0.402 1.00 0.00 C ATOM 548 CD LYS B 451 -19.266 19.844 1.766 1.00 0.00 C ATOM 549 CE LYS B 451 -17.785 20.209 1.718 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.122 19.952 3.009 1.00 0.00 N ATOM 0 H LYS B 451 -19.663 23.876 -0.746 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.803 21.502 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.682 21.485 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.416 22.165 0.750 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.998 19.972 0.481 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.562 19.363 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.769 20.433 2.533 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.381 18.796 2.042 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.293 19.633 0.934 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.677 21.261 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.544 20.776 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.841 19.785 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.512 19.114 2.925 1.00 0.00 H new ATOM 564 N PRO B 452 -22.325 22.727 0.844 1.00 0.00 N ATOM 565 CA PRO B 452 -23.630 22.836 1.464 1.00 0.00 C ATOM 566 C PRO B 452 -24.592 23.601 0.552 1.00 0.00 C ATOM 567 O PRO B 452 -24.174 24.211 -0.432 1.00 0.00 O ATOM 568 CB PRO B 452 -23.412 23.584 2.777 1.00 0.00 C ATOM 569 CG PRO B 452 -22.134 24.389 2.533 1.00 0.00 C ATOM 570 CD PRO B 452 -21.341 23.500 1.583 1.00 0.00 C ATOM 0 HA PRO B 452 -24.074 21.856 1.639 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.255 24.234 3.011 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.297 22.896 3.615 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.349 25.362 2.090 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.591 24.574 3.460 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.728 24.098 0.909 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.664 22.846 2.133 1.00 0.00 H new ATOM 578 N ASP B 453 -25.880 23.568 0.885 1.00 0.00 N ATOM 579 CA ASP B 453 -26.912 24.242 0.106 1.00 0.00 C ATOM 580 C ASP B 453 -26.864 25.768 0.251 1.00 0.00 C ATOM 581 O ASP B 453 -27.632 26.481 -0.399 1.00 0.00 O ATOM 582 CB ASP B 453 -28.294 23.697 0.481 1.00 0.00 C ATOM 583 CG ASP B 453 -28.478 22.234 0.068 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.543 21.675 0.416 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.563 21.687 -0.587 1.00 0.00 O ATOM 0 H ASP B 453 -26.236 23.073 1.703 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.716 24.029 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.437 23.788 1.558 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -29.063 24.305 0.004 1.00 0.00 H new ATOM 590 N GLY B 454 -25.968 26.269 1.106 1.00 0.00 N ATOM 591 CA GLY B 454 -25.817 27.699 1.343 1.00 0.00 C ATOM 592 C GLY B 454 -24.752 27.954 2.404 1.00 0.00 C ATOM 593 O GLY B 454 -25.008 27.590 3.573 1.00 0.00 O ATOM 0 H GLY B 454 -25.329 25.691 1.651 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.542 28.201 0.415 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.768 28.123 1.665 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 -4.841 18.917 4.320 1.00 0.00 O ATOM 599 C5' U A 1 -3.812 18.623 3.399 1.00 0.00 C ATOM 600 C4' U A 1 -4.404 18.483 1.999 1.00 0.00 C ATOM 601 O4' U A 1 -4.828 19.735 1.491 1.00 0.00 O ATOM 602 C3' U A 1 -3.359 17.972 1.021 1.00 0.00 C ATOM 603 O3' U A 1 -3.206 16.568 1.100 1.00 0.00 O ATOM 604 C2' U A 1 -3.939 18.440 -0.306 1.00 0.00 C ATOM 605 O2' U A 1 -4.874 17.505 -0.800 1.00 0.00 O ATOM 606 C1' U A 1 -4.663 19.731 0.079 1.00 0.00 C ATOM 607 N1 U A 1 -3.885 20.902 -0.401 1.00 0.00 N ATOM 608 C2 U A 1 -2.925 21.483 0.427 1.00 0.00 C ATOM 609 O2 U A 1 -2.642 21.055 1.544 1.00 0.00 O ATOM 610 N3 U A 1 -2.281 22.600 -0.080 1.00 0.00 N ATOM 611 C4 U A 1 -2.483 23.164 -1.327 1.00 0.00 C ATOM 612 O4 U A 1 -1.852 24.166 -1.667 1.00 0.00 O ATOM 613 C5 U A 1 -3.463 22.481 -2.135 1.00 0.00 C ATOM 614 C6 U A 1 -4.113 21.390 -1.661 1.00 0.00 C ATOM 0 H5' U A 1 -3.306 17.701 3.685 1.00 0.00 H new ATOM 0 H5'' U A 1 -3.062 19.414 3.411 1.00 0.00 H new ATOM 0 H4' U A 1 -5.242 17.792 2.091 1.00 0.00 H new ATOM 0 H3' U A 1 -2.349 18.339 1.202 1.00 0.00 H new ATOM 0 H2' U A 1 -3.183 18.566 -1.081 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.732 17.952 -0.956 1.00 0.00 H new ATOM 0 HO5' U A 1 -4.460 19.005 5.219 1.00 0.00 H new ATOM 0 H1' U A 1 -5.646 19.790 -0.388 1.00 0.00 H new ATOM 0 H3 U A 1 -1.592 23.049 0.524 1.00 0.00 H new ATOM 0 H5 U A 1 -3.681 22.843 -3.129 1.00 0.00 H new ATOM 0 H6 U A 1 -4.831 20.891 -2.295 1.00 0.00 H new ATOM 625 P G A 2 -2.027 15.815 0.301 1.00 0.00 P ATOM 626 OP1 G A 2 -1.547 14.694 1.146 1.00 0.00 O ATOM 627 OP2 G A 2 -1.060 16.826 -0.180 1.00 0.00 O ATOM 628 O5' G A 2 -2.769 15.187 -0.980 1.00 0.00 O ATOM 629 C5' G A 2 -2.075 14.300 -1.836 1.00 0.00 C ATOM 630 C4' G A 2 -2.995 13.715 -2.910 1.00 0.00 C ATOM 631 O4' G A 2 -3.960 12.834 -2.357 1.00 0.00 O ATOM 632 C3' G A 2 -3.751 14.781 -3.692 1.00 0.00 C ATOM 633 O3' G A 2 -2.959 15.336 -4.724 1.00 0.00 O ATOM 634 C2' G A 2 -4.901 13.955 -4.234 1.00 0.00 C ATOM 635 O2' G A 2 -4.501 13.217 -5.373 1.00 0.00 O ATOM 636 C1' G A 2 -5.170 12.981 -3.090 1.00 0.00 C ATOM 637 N9 G A 2 -6.206 13.533 -2.203 1.00 0.00 N ATOM 638 C8 G A 2 -6.065 14.444 -1.195 1.00 0.00 C ATOM 639 N7 G A 2 -7.170 14.695 -0.546 1.00 0.00 N ATOM 640 C5 G A 2 -8.119 13.906 -1.193 1.00 0.00 C ATOM 641 C6 G A 2 -9.514 13.758 -0.945 1.00 0.00 C ATOM 642 O6 G A 2 -10.188 14.274 -0.056 1.00 0.00 O ATOM 643 N1 G A 2 -10.115 12.915 -1.867 1.00 0.00 N ATOM 644 C2 G A 2 -9.461 12.291 -2.906 1.00 0.00 C ATOM 645 N2 G A 2 -10.210 11.572 -3.735 1.00 0.00 N ATOM 646 N3 G A 2 -8.145 12.383 -3.115 1.00 0.00 N ATOM 647 C4 G A 2 -7.541 13.214 -2.231 1.00 0.00 C ATOM 0 H5' G A 2 -1.642 13.491 -1.248 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.248 14.826 -2.312 1.00 0.00 H new ATOM 0 H4' G A 2 -2.326 13.178 -3.582 1.00 0.00 H new ATOM 0 H3' G A 2 -4.054 15.649 -3.107 1.00 0.00 H new ATOM 0 H2' G A 2 -5.755 14.562 -4.532 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.634 13.548 -5.689 1.00 0.00 H new ATOM 0 H1' G A 2 -5.510 12.021 -3.479 1.00 0.00 H new ATOM 0 H8 G A 2 -5.123 14.915 -0.956 1.00 0.00 H new ATOM 0 H1 G A 2 -11.116 12.744 -1.769 1.00 0.00 H new ATOM 0 H21 G A 2 -9.779 11.088 -4.522 1.00 0.00 H new ATOM 0 H22 G A 2 -11.216 11.504 -3.584 1.00 0.00 H new ATOM 659 P G A 3 -3.425 16.662 -5.510 1.00 0.00 P ATOM 660 OP1 G A 3 -2.288 17.121 -6.341 1.00 0.00 O ATOM 661 OP2 G A 3 -4.025 17.590 -4.527 1.00 0.00 O ATOM 662 O5' G A 3 -4.598 16.145 -6.493 1.00 0.00 O ATOM 663 C5' G A 3 -4.317 15.322 -7.612 1.00 0.00 C ATOM 664 C4' G A 3 -4.750 15.999 -8.914 1.00 0.00 C ATOM 665 O4' G A 3 -6.134 16.329 -8.851 1.00 0.00 O ATOM 666 C3' G A 3 -3.964 17.287 -9.152 1.00 0.00 C ATOM 667 O3' G A 3 -3.735 17.506 -10.536 1.00 0.00 O ATOM 668 C2' G A 3 -4.906 18.344 -8.599 1.00 0.00 C ATOM 669 O2' G A 3 -4.732 19.597 -9.235 1.00 0.00 O ATOM 670 C1' G A 3 -6.278 17.743 -8.882 1.00 0.00 C ATOM 671 N9 G A 3 -7.287 18.207 -7.906 1.00 0.00 N ATOM 672 C8 G A 3 -7.198 19.242 -7.010 1.00 0.00 C ATOM 673 N7 G A 3 -8.274 19.424 -6.297 1.00 0.00 N ATOM 674 C5 G A 3 -9.144 18.438 -6.757 1.00 0.00 C ATOM 675 C6 G A 3 -10.485 18.145 -6.368 1.00 0.00 C ATOM 676 O6 G A 3 -11.173 18.713 -5.527 1.00 0.00 O ATOM 677 N1 G A 3 -11.005 17.069 -7.070 1.00 0.00 N ATOM 678 C2 G A 3 -10.329 16.353 -8.028 1.00 0.00 C ATOM 679 N2 G A 3 -10.982 15.332 -8.583 1.00 0.00 N ATOM 680 N3 G A 3 -9.080 16.634 -8.416 1.00 0.00 N ATOM 681 C4 G A 3 -8.547 17.682 -7.734 1.00 0.00 C ATOM 0 H5' G A 3 -4.833 14.368 -7.505 1.00 0.00 H new ATOM 0 H5'' G A 3 -3.250 15.104 -7.649 1.00 0.00 H new ATOM 0 H4' G A 3 -4.558 15.302 -9.729 1.00 0.00 H new ATOM 0 H3' G A 3 -2.977 17.280 -8.690 1.00 0.00 H new ATOM 0 H2' G A 3 -4.740 18.560 -7.544 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.224 19.475 -10.064 1.00 0.00 H new ATOM 0 H1' G A 3 -6.637 18.066 -9.859 1.00 0.00 H new ATOM 0 H8 G A 3 -6.314 19.853 -6.905 1.00 0.00 H new ATOM 0 H1 G A 3 -11.962 16.787 -6.859 1.00 0.00 H new ATOM 0 H21 G A 3 -10.528 14.766 -9.300 1.00 0.00 H new ATOM 0 H22 G A 3 -11.935 15.117 -8.291 1.00 0.00 H new ATOM 693 P U A 4 -2.829 16.487 -11.398 1.00 0.00 P ATOM 694 OP1 U A 4 -1.934 15.758 -10.473 1.00 0.00 O ATOM 695 OP2 U A 4 -2.256 17.231 -12.542 1.00 0.00 O ATOM 696 O5' U A 4 -3.924 15.452 -11.963 1.00 0.00 O ATOM 697 C5' U A 4 -4.657 15.757 -13.133 1.00 0.00 C ATOM 698 C4' U A 4 -5.995 15.018 -13.137 1.00 0.00 C ATOM 699 O4' U A 4 -6.834 15.516 -12.109 1.00 0.00 O ATOM 700 C3' U A 4 -6.716 15.234 -14.474 1.00 0.00 C ATOM 701 O3' U A 4 -6.769 14.043 -15.242 1.00 0.00 O ATOM 702 C2' U A 4 -8.117 15.700 -14.079 1.00 0.00 C ATOM 703 O2' U A 4 -9.122 14.945 -14.730 1.00 0.00 O ATOM 704 C1' U A 4 -8.170 15.486 -12.568 1.00 0.00 C ATOM 705 N1 U A 4 -8.968 16.549 -11.924 1.00 0.00 N ATOM 706 C2 U A 4 -10.288 16.266 -11.601 1.00 0.00 C ATOM 707 O2 U A 4 -10.798 15.164 -11.807 1.00 0.00 O ATOM 708 N3 U A 4 -11.019 17.296 -11.031 1.00 0.00 N ATOM 709 C4 U A 4 -10.533 18.552 -10.716 1.00 0.00 C ATOM 710 O4 U A 4 -11.258 19.385 -10.175 1.00 0.00 O ATOM 711 C5 U A 4 -9.151 18.761 -11.077 1.00 0.00 C ATOM 712 C6 U A 4 -8.424 17.778 -11.658 1.00 0.00 C ATOM 0 H5' U A 4 -4.079 15.478 -14.014 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.829 16.832 -13.191 1.00 0.00 H new ATOM 0 H4' U A 4 -5.792 13.958 -12.981 1.00 0.00 H new ATOM 0 H3' U A 4 -6.198 15.957 -15.104 1.00 0.00 H new ATOM 0 H2' U A 4 -8.299 16.736 -14.366 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.704 14.256 -15.287 1.00 0.00 H new ATOM 0 H1' U A 4 -8.644 14.536 -12.321 1.00 0.00 H new ATOM 0 H3 U A 4 -12.001 17.112 -10.826 1.00 0.00 H new ATOM 0 H5 U A 4 -8.689 19.717 -10.880 1.00 0.00 H new ATOM 0 H6 U A 4 -7.393 17.967 -11.918 1.00 0.00 H new ATOM 723 P G A 5 -5.434 13.377 -15.855 1.00 0.00 P ATOM 724 OP1 G A 5 -4.485 14.464 -16.192 1.00 0.00 O ATOM 725 OP2 G A 5 -5.839 12.404 -16.895 1.00 0.00 O ATOM 726 O5' G A 5 -4.842 12.559 -14.599 1.00 0.00 O ATOM 727 C5' G A 5 -5.421 11.337 -14.193 1.00 0.00 C ATOM 728 C4' G A 5 -4.806 10.167 -14.963 1.00 0.00 C ATOM 729 O4' G A 5 -3.544 9.834 -14.419 1.00 0.00 O ATOM 730 C3' G A 5 -5.660 8.917 -14.807 1.00 0.00 C ATOM 731 O3' G A 5 -5.405 8.033 -15.878 1.00 0.00 O ATOM 732 C2' G A 5 -5.146 8.341 -13.494 1.00 0.00 C ATOM 733 O2' G A 5 -5.136 6.927 -13.520 1.00 0.00 O ATOM 734 C1' G A 5 -3.736 8.916 -13.354 1.00 0.00 C ATOM 735 N9 G A 5 -3.592 9.560 -12.025 1.00 0.00 N ATOM 736 C8 G A 5 -4.034 9.099 -10.812 1.00 0.00 C ATOM 737 N7 G A 5 -3.787 9.900 -9.814 1.00 0.00 N ATOM 738 C5 G A 5 -3.120 10.971 -10.402 1.00 0.00 C ATOM 739 C6 G A 5 -2.619 12.169 -9.815 1.00 0.00 C ATOM 740 O6 G A 5 -2.652 12.517 -8.633 1.00 0.00 O ATOM 741 N1 G A 5 -2.036 12.999 -10.758 1.00 0.00 N ATOM 742 C2 G A 5 -1.910 12.706 -12.095 1.00 0.00 C ATOM 743 N2 G A 5 -1.291 13.614 -12.851 1.00 0.00 N ATOM 744 N3 G A 5 -2.370 11.583 -12.653 1.00 0.00 N ATOM 745 C4 G A 5 -2.978 10.765 -11.754 1.00 0.00 C ATOM 0 H5' G A 5 -6.497 11.365 -14.362 1.00 0.00 H new ATOM 0 H5'' G A 5 -5.270 11.195 -13.123 1.00 0.00 H new ATOM 0 H4' G A 5 -4.732 10.474 -16.006 1.00 0.00 H new ATOM 0 H3' G A 5 -6.735 9.099 -14.808 1.00 0.00 H new ATOM 0 H2' G A 5 -5.781 8.604 -12.648 1.00 0.00 H new ATOM 0 HO2' G A 5 -4.775 6.587 -12.675 1.00 0.00 H new ATOM 0 HO3' G A 5 -5.294 7.123 -15.532 1.00 0.00 H new ATOM 0 H1' G A 5 -2.975 8.138 -13.413 1.00 0.00 H new ATOM 0 H8 G A 5 -4.543 8.154 -10.694 1.00 0.00 H new ATOM 0 H1 G A 5 -1.672 13.896 -10.436 1.00 0.00 H new ATOM 0 H21 G A 5 -1.170 13.449 -13.850 1.00 0.00 H new ATOM 0 H22 G A 5 -0.939 14.474 -12.430 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.806 22.685 -9.766 1.00 0.00 ZN