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= 0.00894 K(o=0.021,f=-1) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -131:sc= 0.012 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 1.23 K(o=0.83,f=-4.9!) USER MOD Set 2.2: B 437 ASN : amide:sc= -0.4 K(o=0.83,f=-0.99) USER MOD Single : A 1 U O2' : rot 110:sc= 0.947 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -15:sc= 0.0737 USER MOD Single : A 3 G O2' : rot 25:sc= 0.214 USER MOD Single : A 4 U O2' : rot 3:sc= 0.375 USER MOD Single : A 5 G O2' : rot -15:sc= 0.214 USER MOD Single : A 5 G O3' : rot 180:sc= 0.206 USER MOD Single : B 418 SER OG : rot 180:sc=-0.000535 USER MOD Single : B 420 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 421 GLN : amide:sc= 0.0643 K(o=0.064,f=-5.6!) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.299 K(o=-0.3,f=-6.1!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 166:sc=-0.000412 (180deg=-0.453) USER MOD Single : B 439 SER OG : rot -72:sc= 1.3 USER MOD Single : B 445 ASN : amide:sc= 0.271 K(o=0.27,f=-2.2!) USER MOD Single : B 446 GLN : amide:sc= -0.0369 K(o=-0.037,f=-1.4) USER MOD Single : B 448 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0317) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -6.932 -6.738 -0.903 1.00 0.00 N ATOM 2 CA GLY B 414 -8.133 -7.311 -0.271 1.00 0.00 C ATOM 3 C GLY B 414 -9.315 -7.308 -1.232 1.00 0.00 C ATOM 4 O GLY B 414 -9.300 -6.588 -2.228 1.00 0.00 O ATOM 0 HA2 GLY B 414 -7.926 -8.331 0.052 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -8.385 -6.739 0.622 1.00 0.00 H new ATOM 10 N PRO B 415 -10.344 -8.118 -0.939 1.00 0.00 N ATOM 11 CA PRO B 415 -11.525 -8.260 -1.777 1.00 0.00 C ATOM 12 C PRO B 415 -12.379 -6.994 -1.760 1.00 0.00 C ATOM 13 O PRO B 415 -13.286 -6.851 -2.578 1.00 0.00 O ATOM 14 CB PRO B 415 -12.288 -9.445 -1.187 1.00 0.00 C ATOM 15 CG PRO B 415 -11.851 -9.481 0.279 1.00 0.00 C ATOM 16 CD PRO B 415 -10.422 -8.953 0.242 1.00 0.00 C ATOM 0 HA PRO B 415 -11.260 -8.422 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -13.366 -9.310 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -12.039 -10.374 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -12.492 -8.859 0.903 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -11.894 -10.492 0.685 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -10.192 -8.382 1.141 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -9.703 -9.771 0.192 1.00 0.00 H new ATOM 24 N LEU B 416 -12.094 -6.071 -0.832 1.00 0.00 N ATOM 25 CA LEU B 416 -12.816 -4.812 -0.729 1.00 0.00 C ATOM 26 C LEU B 416 -12.366 -3.833 -1.816 1.00 0.00 C ATOM 27 O LEU B 416 -12.945 -2.756 -1.954 1.00 0.00 O ATOM 28 CB LEU B 416 -12.594 -4.207 0.663 1.00 0.00 C ATOM 29 CG LEU B 416 -12.993 -5.178 1.778 1.00 0.00 C ATOM 30 CD1 LEU B 416 -12.706 -4.527 3.128 1.00 0.00 C ATOM 31 CD2 LEU B 416 -14.482 -5.513 1.707 1.00 0.00 C ATOM 0 H LEU B 416 -11.357 -6.183 -0.136 1.00 0.00 H new ATOM 0 HA LEU B 416 -13.879 -5.004 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -11.545 -3.934 0.777 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -13.174 -3.289 0.756 1.00 0.00 H new ATOM 0 HG LEU B 416 -12.419 -6.097 1.658 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -12.987 -5.211 3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -11.643 -4.298 3.203 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -13.283 -3.607 3.218 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -14.738 -6.204 2.510 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -15.066 -4.599 1.815 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -14.706 -5.975 0.745 1.00 0.00 H new ATOM 43 N GLY B 417 -11.336 -4.199 -2.584 1.00 0.00 N ATOM 44 CA GLY B 417 -10.803 -3.353 -3.642 1.00 0.00 C ATOM 45 C GLY B 417 -10.001 -2.189 -3.070 1.00 0.00 C ATOM 46 O GLY B 417 -9.776 -2.113 -1.860 1.00 0.00 O ATOM 0 H GLY B 417 -10.852 -5.091 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.168 -3.946 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -11.622 -2.969 -4.251 1.00 0.00 H new ATOM 50 N SER B 418 -9.565 -1.279 -3.945 1.00 0.00 N ATOM 51 CA SER B 418 -8.794 -0.107 -3.550 1.00 0.00 C ATOM 52 C SER B 418 -8.932 0.988 -4.607 1.00 0.00 C ATOM 53 O SER B 418 -9.281 0.704 -5.752 1.00 0.00 O ATOM 54 CB SER B 418 -7.326 -0.502 -3.366 1.00 0.00 C ATOM 55 OG SER B 418 -6.564 0.614 -2.949 1.00 0.00 O ATOM 0 H SER B 418 -9.739 -1.338 -4.948 1.00 0.00 H new ATOM 0 HA SER B 418 -9.175 0.281 -2.605 1.00 0.00 H new ATOM 0 HB2 SER B 418 -7.247 -1.300 -2.628 1.00 0.00 H new ATOM 0 HB3 SER B 418 -6.928 -0.893 -4.302 1.00 0.00 H new ATOM 0 HG SER B 418 -5.628 0.347 -2.834 1.00 0.00 H new ATOM 61 N GLY B 419 -8.659 2.239 -4.227 1.00 0.00 N ATOM 62 CA GLY B 419 -8.763 3.372 -5.132 1.00 0.00 C ATOM 63 C GLY B 419 -8.348 4.670 -4.436 1.00 0.00 C ATOM 64 O GLY B 419 -8.098 4.685 -3.230 1.00 0.00 O ATOM 0 H GLY B 419 -8.361 2.488 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -8.131 3.205 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -9.788 3.460 -5.493 1.00 0.00 H new ATOM 68 N GLN B 420 -8.274 5.761 -5.204 1.00 0.00 N ATOM 69 CA GLN B 420 -7.874 7.063 -4.683 1.00 0.00 C ATOM 70 C GLN B 420 -9.012 7.748 -3.927 1.00 0.00 C ATOM 71 O GLN B 420 -8.785 8.772 -3.285 1.00 0.00 O ATOM 72 CB GLN B 420 -7.402 7.949 -5.836 1.00 0.00 C ATOM 73 CG GLN B 420 -6.067 7.437 -6.387 1.00 0.00 C ATOM 74 CD GLN B 420 -5.664 8.160 -7.669 1.00 0.00 C ATOM 75 OE1 GLN B 420 -6.411 8.979 -8.192 1.00 0.00 O ATOM 76 NE2 GLN B 420 -4.472 7.856 -8.179 1.00 0.00 N ATOM 0 H GLN B 420 -8.490 5.762 -6.201 1.00 0.00 H new ATOM 0 HA GLN B 420 -7.059 6.908 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -8.151 7.957 -6.628 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.291 8.977 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.289 7.571 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -6.141 6.367 -6.582 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -3.879 7.169 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -4.152 8.310 -9.034 1.00 0.00 H new ATOM 85 N GLN B 421 -10.229 7.194 -3.992 1.00 0.00 N ATOM 86 CA GLN B 421 -11.396 7.787 -3.350 1.00 0.00 C ATOM 87 C GLN B 421 -11.188 7.892 -1.838 1.00 0.00 C ATOM 88 O GLN B 421 -10.467 7.088 -1.251 1.00 0.00 O ATOM 89 CB GLN B 421 -12.651 6.968 -3.665 1.00 0.00 C ATOM 90 CG GLN B 421 -13.041 7.098 -5.140 1.00 0.00 C ATOM 91 CD GLN B 421 -12.166 6.256 -6.063 1.00 0.00 C ATOM 92 OE1 GLN B 421 -11.479 5.338 -5.625 1.00 0.00 O ATOM 93 NE2 GLN B 421 -12.190 6.567 -7.359 1.00 0.00 N ATOM 0 H GLN B 421 -10.426 6.326 -4.490 1.00 0.00 H new ATOM 0 HA GLN B 421 -11.531 8.794 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.474 5.920 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -13.476 7.305 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.082 6.799 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -12.972 8.144 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -12.773 7.337 -7.688 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -11.625 6.035 -8.022 1.00 0.00 H new ATOM 102 N ARG B 422 -11.830 8.886 -1.211 1.00 0.00 N ATOM 103 CA ARG B 422 -11.721 9.097 0.228 1.00 0.00 C ATOM 104 C ARG B 422 -13.080 9.438 0.825 1.00 0.00 C ATOM 105 O ARG B 422 -13.947 9.996 0.153 1.00 0.00 O ATOM 106 CB ARG B 422 -10.712 10.215 0.532 1.00 0.00 C ATOM 107 CG ARG B 422 -9.316 9.896 -0.012 1.00 0.00 C ATOM 108 CD ARG B 422 -8.307 10.899 0.554 1.00 0.00 C ATOM 109 NE ARG B 422 -6.999 10.790 -0.105 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.892 11.373 0.369 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.935 12.101 1.482 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.732 11.234 -0.265 1.00 0.00 N ATOM 0 H ARG B 422 -12.433 9.558 -1.686 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.365 8.172 0.683 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.065 11.150 0.096 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.654 10.367 1.610 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.030 8.881 0.263 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.319 9.942 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.693 11.911 0.431 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.189 10.731 1.625 1.00 0.00 H new ATOM 0 HE ARG B 422 -6.931 10.244 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.817 12.218 1.981 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.086 12.542 1.836 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.681 10.680 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.893 11.682 0.103 1.00 0.00 H new ATOM 126 N ALA B 423 -13.269 9.095 2.103 1.00 0.00 N ATOM 127 CA ALA B 423 -14.513 9.382 2.794 1.00 0.00 C ATOM 128 C ALA B 423 -14.715 10.891 2.870 1.00 0.00 C ATOM 129 O ALA B 423 -13.839 11.618 3.336 1.00 0.00 O ATOM 130 CB ALA B 423 -14.473 8.766 4.191 1.00 0.00 C ATOM 0 H ALA B 423 -12.571 8.618 2.674 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.351 8.948 2.249 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.407 8.981 4.710 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.344 7.687 4.109 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.640 9.190 4.752 1.00 0.00 H new ATOM 136 N GLY B 424 -15.877 11.359 2.411 1.00 0.00 N ATOM 137 CA GLY B 424 -16.208 12.775 2.429 1.00 0.00 C ATOM 138 C GLY B 424 -16.132 13.382 1.029 1.00 0.00 C ATOM 139 O GLY B 424 -16.497 14.540 0.850 1.00 0.00 O ATOM 0 H GLY B 424 -16.609 10.766 2.019 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -17.212 12.911 2.832 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.523 13.302 3.094 1.00 0.00 H new ATOM 143 N ASP B 425 -15.665 12.611 0.040 1.00 0.00 N ATOM 144 CA ASP B 425 -15.687 13.053 -1.351 1.00 0.00 C ATOM 145 C ASP B 425 -17.091 13.466 -1.784 1.00 0.00 C ATOM 146 O ASP B 425 -18.078 12.895 -1.316 1.00 0.00 O ATOM 147 CB ASP B 425 -15.144 11.957 -2.260 1.00 0.00 C ATOM 148 CG ASP B 425 -13.640 11.769 -2.115 1.00 0.00 C ATOM 149 OD1 ASP B 425 -13.120 10.832 -2.759 1.00 0.00 O ATOM 150 OD2 ASP B 425 -13.020 12.552 -1.364 1.00 0.00 O ATOM 0 H ASP B 425 -15.269 11.681 0.181 1.00 0.00 H new ATOM 0 HA ASP B 425 -15.046 13.931 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.648 11.018 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.378 12.200 -3.296 1.00 0.00 H new ATOM 155 N TRP B 426 -17.188 14.454 -2.679 1.00 0.00 N ATOM 156 CA TRP B 426 -18.490 14.973 -3.071 1.00 0.00 C ATOM 157 C TRP B 426 -18.456 15.556 -4.482 1.00 0.00 C ATOM 158 O TRP B 426 -17.456 16.141 -4.900 1.00 0.00 O ATOM 159 CB TRP B 426 -18.925 16.024 -2.049 1.00 0.00 C ATOM 160 CG TRP B 426 -18.051 17.239 -1.960 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.901 17.336 -1.255 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.200 18.530 -2.632 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.353 18.591 -1.417 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.114 19.370 -2.264 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.175 19.087 -3.479 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -16.996 20.688 -2.717 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.063 20.405 -3.947 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.980 21.205 -3.568 1.00 0.00 C ATOM 0 H TRP B 426 -16.392 14.900 -3.136 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.213 14.158 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.938 16.344 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.966 15.555 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.475 16.547 -0.654 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.493 18.904 -0.967 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.025 18.490 -3.774 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.158 21.298 -2.415 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.820 20.805 -4.606 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.903 22.219 -3.931 1.00 0.00 H new ATOM 179 N LYS B 427 -19.558 15.389 -5.220 1.00 0.00 N ATOM 180 CA LYS B 427 -19.658 15.886 -6.588 1.00 0.00 C ATOM 181 C LYS B 427 -20.283 17.278 -6.585 1.00 0.00 C ATOM 182 O LYS B 427 -21.095 17.590 -5.716 1.00 0.00 O ATOM 183 CB LYS B 427 -20.498 14.915 -7.419 1.00 0.00 C ATOM 184 CG LYS B 427 -20.234 15.141 -8.910 1.00 0.00 C ATOM 185 CD LYS B 427 -21.304 14.452 -9.760 1.00 0.00 C ATOM 186 CE LYS B 427 -22.639 15.183 -9.601 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.696 14.538 -10.400 1.00 0.00 N ATOM 0 H LYS B 427 -20.395 14.910 -4.887 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.664 15.957 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.254 13.887 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.557 15.059 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.225 16.210 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.249 14.754 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.003 14.448 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.410 13.411 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.928 15.193 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.527 16.222 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.590 15.054 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.428 14.550 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.817 13.554 -10.086 1.00 0.00 H new ATOM 201 N CYS B 428 -19.910 18.110 -7.557 1.00 0.00 N ATOM 202 CA CYS B 428 -20.441 19.455 -7.681 1.00 0.00 C ATOM 203 C CYS B 428 -21.955 19.399 -7.929 1.00 0.00 C ATOM 204 O CYS B 428 -22.402 18.681 -8.825 1.00 0.00 O ATOM 205 CB CYS B 428 -19.723 20.171 -8.822 1.00 0.00 C ATOM 206 SG CYS B 428 -20.235 21.900 -8.852 1.00 0.00 S ATOM 0 H CYS B 428 -19.231 17.865 -8.277 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.273 20.009 -6.758 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.643 20.101 -8.689 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.959 19.693 -9.773 1.00 0.00 H new ATOM 211 N PRO B 429 -22.750 20.149 -7.149 1.00 0.00 N ATOM 212 CA PRO B 429 -24.196 20.165 -7.257 1.00 0.00 C ATOM 213 C PRO B 429 -24.660 20.935 -8.494 1.00 0.00 C ATOM 214 O PRO B 429 -25.827 20.846 -8.871 1.00 0.00 O ATOM 215 CB PRO B 429 -24.682 20.846 -5.978 1.00 0.00 C ATOM 216 CG PRO B 429 -23.526 21.773 -5.599 1.00 0.00 C ATOM 217 CD PRO B 429 -22.290 21.018 -6.081 1.00 0.00 C ATOM 0 HA PRO B 429 -24.599 19.158 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.603 21.403 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.888 20.120 -5.191 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.616 22.745 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.492 21.954 -4.525 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.526 21.707 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.844 20.440 -5.271 1.00 0.00 H new ATOM 225 N ASN B 430 -23.759 21.691 -9.130 1.00 0.00 N ATOM 226 CA ASN B 430 -24.095 22.466 -10.316 1.00 0.00 C ATOM 227 C ASN B 430 -24.289 21.500 -11.490 1.00 0.00 C ATOM 228 O ASN B 430 -23.388 20.712 -11.783 1.00 0.00 O ATOM 229 CB ASN B 430 -22.944 23.431 -10.608 1.00 0.00 C ATOM 230 CG ASN B 430 -23.414 24.799 -11.075 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.585 25.008 -11.371 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.484 25.745 -11.150 1.00 0.00 N ATOM 0 H ASN B 430 -22.786 21.779 -8.836 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.012 23.035 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.340 23.549 -9.708 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.298 22.996 -11.371 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.735 26.683 -11.462 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.519 25.533 -10.895 1.00 0.00 H new ATOM 239 N PRO B 431 -25.443 21.544 -12.172 1.00 0.00 N ATOM 240 CA PRO B 431 -25.708 20.700 -13.324 1.00 0.00 C ATOM 241 C PRO B 431 -24.819 21.096 -14.503 1.00 0.00 C ATOM 242 O PRO B 431 -24.651 20.324 -15.443 1.00 0.00 O ATOM 243 CB PRO B 431 -27.185 20.913 -13.659 1.00 0.00 C ATOM 244 CG PRO B 431 -27.501 22.293 -13.082 1.00 0.00 C ATOM 245 CD PRO B 431 -26.571 22.403 -11.876 1.00 0.00 C ATOM 0 HA PRO B 431 -25.492 19.653 -13.113 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.359 20.881 -14.735 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.811 20.141 -13.212 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.311 23.084 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.548 22.374 -12.789 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.249 23.433 -11.722 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.075 22.087 -10.963 1.00 0.00 H new ATOM 253 N THR B 432 -24.244 22.304 -14.452 1.00 0.00 N ATOM 254 CA THR B 432 -23.308 22.784 -15.460 1.00 0.00 C ATOM 255 C THR B 432 -21.852 22.450 -15.133 1.00 0.00 C ATOM 256 O THR B 432 -20.955 22.795 -15.897 1.00 0.00 O ATOM 257 CB THR B 432 -23.508 24.283 -15.721 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.797 25.029 -14.759 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.986 24.672 -15.654 1.00 0.00 C ATOM 0 H THR B 432 -24.420 22.975 -13.704 1.00 0.00 H new ATOM 0 HA THR B 432 -23.533 22.247 -16.381 1.00 0.00 H new ATOM 0 HB THR B 432 -23.137 24.499 -16.723 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.924 25.986 -14.928 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.090 25.740 -15.844 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.544 24.114 -16.406 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.379 24.439 -14.664 1.00 0.00 H new ATOM 267 N CYS B 433 -21.626 21.781 -13.997 1.00 0.00 N ATOM 268 CA CYS B 433 -20.290 21.458 -13.519 1.00 0.00 C ATOM 269 C CYS B 433 -20.119 19.944 -13.402 1.00 0.00 C ATOM 270 O CYS B 433 -19.357 19.344 -14.159 1.00 0.00 O ATOM 271 CB CYS B 433 -20.085 22.139 -12.169 1.00 0.00 C ATOM 272 SG CYS B 433 -18.384 21.886 -11.615 1.00 0.00 S ATOM 0 H CYS B 433 -22.372 21.450 -13.385 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.541 21.818 -14.225 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.296 23.205 -12.252 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.781 21.732 -11.436 1.00 0.00 H new ATOM 277 N GLU B 434 -20.835 19.337 -12.449 1.00 0.00 N ATOM 278 CA GLU B 434 -20.773 17.905 -12.165 1.00 0.00 C ATOM 279 C GLU B 434 -19.340 17.410 -11.934 1.00 0.00 C ATOM 280 O GLU B 434 -19.086 16.206 -11.981 1.00 0.00 O ATOM 281 CB GLU B 434 -21.480 17.111 -13.268 1.00 0.00 C ATOM 282 CG GLU B 434 -22.966 17.479 -13.302 1.00 0.00 C ATOM 283 CD GLU B 434 -23.735 16.640 -14.324 1.00 0.00 C ATOM 284 OE1 GLU B 434 -23.079 15.869 -15.060 1.00 0.00 O ATOM 285 OE2 GLU B 434 -24.980 16.777 -14.356 1.00 0.00 O ATOM 0 H GLU B 434 -21.485 19.839 -11.844 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.302 17.734 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -21.021 17.324 -14.233 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.365 16.042 -13.090 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.399 17.334 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.073 18.536 -13.545 1.00 0.00 H new ATOM 292 N ASN B 435 -18.402 18.326 -11.678 1.00 0.00 N ATOM 293 CA ASN B 435 -17.022 17.960 -11.398 1.00 0.00 C ATOM 294 C ASN B 435 -16.935 17.253 -10.046 1.00 0.00 C ATOM 295 O ASN B 435 -17.677 17.590 -9.123 1.00 0.00 O ATOM 296 CB ASN B 435 -16.164 19.222 -11.391 1.00 0.00 C ATOM 297 CG ASN B 435 -14.718 18.906 -11.034 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.092 18.054 -11.657 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.185 19.592 -10.032 1.00 0.00 N ATOM 0 H ASN B 435 -18.580 19.330 -11.660 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.658 17.280 -12.168 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.203 19.696 -12.372 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.570 19.936 -10.675 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.219 19.420 -9.753 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.741 20.292 -9.540 1.00 0.00 H new ATOM 306 N MET B 436 -16.032 16.276 -9.916 1.00 0.00 N ATOM 307 CA MET B 436 -15.841 15.596 -8.644 1.00 0.00 C ATOM 308 C MET B 436 -14.864 16.404 -7.792 1.00 0.00 C ATOM 309 O MET B 436 -13.826 16.836 -8.285 1.00 0.00 O ATOM 310 CB MET B 436 -15.317 14.180 -8.886 1.00 0.00 C ATOM 311 CG MET B 436 -15.560 13.333 -7.640 1.00 0.00 C ATOM 312 SD MET B 436 -17.313 12.972 -7.382 1.00 0.00 S ATOM 313 CE MET B 436 -17.268 12.581 -5.620 1.00 0.00 C ATOM 0 H MET B 436 -15.431 15.945 -10.671 1.00 0.00 H new ATOM 0 HA MET B 436 -16.790 15.518 -8.114 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.819 13.736 -9.745 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.252 14.208 -9.119 1.00 0.00 H new ATOM 0 HG2 MET B 436 -15.008 12.397 -7.727 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.167 13.855 -6.767 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.283 12.574 -5.223 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.816 11.600 -5.476 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.678 13.333 -5.095 1.00 0.00 H new ATOM 323 N ASN B 437 -15.197 16.609 -6.514 1.00 0.00 N ATOM 324 CA ASN B 437 -14.388 17.418 -5.617 1.00 0.00 C ATOM 325 C ASN B 437 -13.920 16.591 -4.422 1.00 0.00 C ATOM 326 O ASN B 437 -14.641 15.715 -3.941 1.00 0.00 O ATOM 327 CB ASN B 437 -15.191 18.639 -5.159 1.00 0.00 C ATOM 328 CG ASN B 437 -15.644 19.490 -6.337 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.825 20.058 -7.052 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.954 19.580 -6.541 1.00 0.00 N ATOM 0 H ASN B 437 -16.033 16.218 -6.080 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.501 17.763 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.062 18.310 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.582 19.243 -4.486 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.312 20.138 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.601 19.091 -5.922 1.00 0.00 H new ATOM 337 N PHE B 438 -12.705 16.872 -3.952 1.00 0.00 N ATOM 338 CA PHE B 438 -12.114 16.151 -2.840 1.00 0.00 C ATOM 339 C PHE B 438 -12.775 16.490 -1.501 1.00 0.00 C ATOM 340 O PHE B 438 -13.398 17.543 -1.360 1.00 0.00 O ATOM 341 CB PHE B 438 -10.595 16.360 -2.816 1.00 0.00 C ATOM 342 CG PHE B 438 -9.854 15.750 -3.994 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.720 16.390 -4.512 1.00 0.00 C ATOM 344 CD2 PHE B 438 -10.290 14.545 -4.571 1.00 0.00 C ATOM 345 CE1 PHE B 438 -8.007 15.816 -5.572 1.00 0.00 C ATOM 346 CE2 PHE B 438 -9.585 13.979 -5.642 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.440 14.611 -6.142 1.00 0.00 C ATOM 0 H PHE B 438 -12.109 17.606 -4.335 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.302 15.089 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.389 17.430 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.197 15.935 -1.894 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -8.394 17.330 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -11.172 14.053 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -7.121 16.303 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.926 13.054 -6.082 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.893 14.172 -6.963 1.00 0.00 H new ATOM 357 N SER B 439 -12.639 15.595 -0.519 1.00 0.00 N ATOM 358 CA SER B 439 -13.353 15.692 0.750 1.00 0.00 C ATOM 359 C SER B 439 -13.004 16.964 1.518 1.00 0.00 C ATOM 360 O SER B 439 -13.827 17.458 2.288 1.00 0.00 O ATOM 361 CB SER B 439 -13.008 14.471 1.608 1.00 0.00 C ATOM 362 OG SER B 439 -11.630 14.469 1.919 1.00 0.00 O ATOM 0 H SER B 439 -12.028 14.781 -0.585 1.00 0.00 H new ATOM 0 HA SER B 439 -14.420 15.726 0.531 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.596 14.484 2.526 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.270 13.557 1.075 1.00 0.00 H new ATOM 0 HG SER B 439 -11.114 14.250 1.115 1.00 0.00 H new ATOM 368 N TRP B 440 -11.795 17.493 1.319 1.00 0.00 N ATOM 369 CA TRP B 440 -11.335 18.653 2.060 1.00 0.00 C ATOM 370 C TRP B 440 -11.746 19.979 1.423 1.00 0.00 C ATOM 371 O TRP B 440 -11.574 21.033 2.036 1.00 0.00 O ATOM 372 CB TRP B 440 -9.821 18.563 2.252 1.00 0.00 C ATOM 373 CG TRP B 440 -9.053 18.197 1.026 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.693 16.947 0.668 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.590 19.066 -0.053 1.00 0.00 C ATOM 376 NE1 TRP B 440 -8.011 16.987 -0.529 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.913 18.270 -1.017 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.673 20.448 -0.310 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.319 18.818 -2.158 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.087 21.007 -1.453 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.395 20.198 -2.370 1.00 0.00 C ATOM 0 H TRP B 440 -11.120 17.130 0.646 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.826 18.641 3.033 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.458 19.524 2.617 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.611 17.827 3.028 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.907 16.052 1.233 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.626 16.166 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.197 21.087 0.385 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.808 18.183 -2.867 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.168 22.069 -1.631 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -6.924 20.640 -3.235 1.00 0.00 H new ATOM 392 N ARG B 441 -12.292 19.944 0.201 1.00 0.00 N ATOM 393 CA ARG B 441 -12.820 21.141 -0.435 1.00 0.00 C ATOM 394 C ARG B 441 -14.187 21.480 0.145 1.00 0.00 C ATOM 395 O ARG B 441 -14.954 20.580 0.483 1.00 0.00 O ATOM 396 CB ARG B 441 -12.926 20.946 -1.950 1.00 0.00 C ATOM 397 CG ARG B 441 -11.538 20.912 -2.584 1.00 0.00 C ATOM 398 CD ARG B 441 -11.674 20.938 -4.108 1.00 0.00 C ATOM 399 NE ARG B 441 -10.359 20.941 -4.756 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.557 22.010 -4.834 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.949 23.188 -4.355 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.357 21.893 -5.394 1.00 0.00 N ATOM 0 H ARG B 441 -12.376 19.097 -0.361 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.135 21.966 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.454 20.017 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.512 21.755 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.951 21.766 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.005 20.014 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.244 20.070 -4.440 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.234 21.823 -4.411 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.033 20.070 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.868 23.283 -3.923 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.330 23.996 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.051 20.992 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.742 22.704 -5.456 1.00 0.00 H new ATOM 416 N ASN B 442 -14.489 22.774 0.252 1.00 0.00 N ATOM 417 CA ASN B 442 -15.800 23.244 0.686 1.00 0.00 C ATOM 418 C ASN B 442 -16.547 23.891 -0.479 1.00 0.00 C ATOM 419 O ASN B 442 -17.720 24.240 -0.348 1.00 0.00 O ATOM 420 CB ASN B 442 -15.640 24.219 1.855 1.00 0.00 C ATOM 421 CG ASN B 442 -15.066 23.530 3.087 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.227 22.326 3.270 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.395 24.294 3.942 1.00 0.00 N ATOM 0 H ASN B 442 -13.831 23.524 0.040 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.392 22.394 1.027 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -14.986 25.039 1.558 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.608 24.656 2.100 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -13.993 23.884 4.785 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.282 25.290 3.756 1.00 0.00 H new ATOM 430 N GLU B 443 -15.864 24.052 -1.619 1.00 0.00 N ATOM 431 CA GLU B 443 -16.444 24.636 -2.820 1.00 0.00 C ATOM 432 C GLU B 443 -15.928 23.910 -4.060 1.00 0.00 C ATOM 433 O GLU B 443 -14.894 23.236 -4.013 1.00 0.00 O ATOM 434 CB GLU B 443 -16.111 26.129 -2.905 1.00 0.00 C ATOM 435 CG GLU B 443 -16.655 26.894 -1.696 1.00 0.00 C ATOM 436 CD GLU B 443 -16.387 28.397 -1.807 1.00 0.00 C ATOM 437 OE1 GLU B 443 -16.907 29.134 -0.940 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.667 28.795 -2.753 1.00 0.00 O ATOM 0 H GLU B 443 -14.888 23.777 -1.728 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.527 24.525 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.030 26.259 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.532 26.545 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.728 26.721 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.196 26.509 -0.786 1.00 0.00 H new ATOM 445 N CYS B 444 -16.656 24.050 -5.168 1.00 0.00 N ATOM 446 CA CYS B 444 -16.319 23.397 -6.419 1.00 0.00 C ATOM 447 C CYS B 444 -14.984 23.918 -6.944 1.00 0.00 C ATOM 448 O CYS B 444 -14.629 25.077 -6.723 1.00 0.00 O ATOM 449 CB CYS B 444 -17.439 23.635 -7.428 1.00 0.00 C ATOM 450 SG CYS B 444 -17.050 22.762 -8.964 1.00 0.00 S ATOM 0 H CYS B 444 -17.498 24.623 -5.216 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.215 22.324 -6.257 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.389 23.282 -7.025 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.551 24.702 -7.620 1.00 0.00 H new ATOM 455 N ASN B 445 -14.247 23.060 -7.643 1.00 0.00 N ATOM 456 CA ASN B 445 -12.938 23.403 -8.164 1.00 0.00 C ATOM 457 C ASN B 445 -13.053 24.123 -9.512 1.00 0.00 C ATOM 458 O ASN B 445 -12.036 24.499 -10.091 1.00 0.00 O ATOM 459 CB ASN B 445 -12.138 22.111 -8.327 1.00 0.00 C ATOM 460 CG ASN B 445 -10.652 22.320 -8.081 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.212 23.410 -7.723 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.873 21.261 -8.269 1.00 0.00 N ATOM 0 H ASN B 445 -14.545 22.109 -7.861 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.436 24.079 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.517 21.361 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.286 21.718 -9.333 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.867 21.334 -8.116 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.280 20.375 -8.567 1.00 0.00 H new ATOM 469 N GLN B 446 -14.277 24.317 -10.018 1.00 0.00 N ATOM 470 CA GLN B 446 -14.465 24.825 -11.374 1.00 0.00 C ATOM 471 C GLN B 446 -15.543 25.901 -11.448 1.00 0.00 C ATOM 472 O GLN B 446 -15.426 26.837 -12.240 1.00 0.00 O ATOM 473 CB GLN B 446 -14.838 23.660 -12.288 1.00 0.00 C ATOM 474 CG GLN B 446 -13.797 22.544 -12.187 1.00 0.00 C ATOM 475 CD GLN B 446 -13.809 21.631 -13.411 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.614 21.802 -14.326 1.00 0.00 O ATOM 477 NE2 GLN B 446 -12.912 20.649 -13.433 1.00 0.00 N ATOM 0 H GLN B 446 -15.142 24.131 -9.511 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.530 25.286 -11.694 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.820 23.275 -12.013 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.908 24.007 -13.319 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.806 22.983 -12.073 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -13.988 21.952 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.260 20.537 -12.657 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -12.877 20.008 -14.226 1.00 0.00 H new ATOM 486 N CYS B 447 -16.589 25.778 -10.630 1.00 0.00 N ATOM 487 CA CYS B 447 -17.695 26.729 -10.619 1.00 0.00 C ATOM 488 C CYS B 447 -17.911 27.335 -9.229 1.00 0.00 C ATOM 489 O CYS B 447 -18.840 28.116 -9.030 1.00 0.00 O ATOM 490 CB CYS B 447 -18.959 26.046 -11.142 1.00 0.00 C ATOM 491 SG CYS B 447 -19.381 24.671 -10.044 1.00 0.00 S ATOM 0 H CYS B 447 -16.691 25.017 -9.959 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.447 27.560 -11.279 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.782 26.759 -11.186 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.798 25.682 -12.157 1.00 0.00 H new ATOM 496 N LYS B 448 -17.046 26.971 -8.271 1.00 0.00 N ATOM 497 CA LYS B 448 -17.050 27.521 -6.919 1.00 0.00 C ATOM 498 C LYS B 448 -18.374 27.293 -6.185 1.00 0.00 C ATOM 499 O LYS B 448 -18.630 27.941 -5.169 1.00 0.00 O ATOM 500 CB LYS B 448 -16.678 29.010 -6.954 1.00 0.00 C ATOM 501 CG LYS B 448 -15.349 29.267 -7.683 1.00 0.00 C ATOM 502 CD LYS B 448 -14.185 28.479 -7.072 1.00 0.00 C ATOM 503 CE LYS B 448 -14.082 28.696 -5.562 1.00 0.00 C ATOM 504 NZ LYS B 448 -13.836 30.112 -5.232 1.00 0.00 N ATOM 0 H LYS B 448 -16.315 26.275 -8.422 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.296 26.980 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.473 29.569 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.608 29.388 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -15.456 28.996 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.120 30.332 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.317 27.417 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -13.252 28.782 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -15.003 28.365 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -13.275 28.083 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -13.671 30.207 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -13.000 30.449 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -14.664 30.680 -5.503 1.00 0.00 H new ATOM 518 N ALA B 449 -19.222 26.385 -6.680 1.00 0.00 N ATOM 519 CA ALA B 449 -20.473 26.069 -6.006 1.00 0.00 C ATOM 520 C ALA B 449 -20.166 25.428 -4.651 1.00 0.00 C ATOM 521 O ALA B 449 -19.248 24.618 -4.551 1.00 0.00 O ATOM 522 CB ALA B 449 -21.304 25.132 -6.881 1.00 0.00 C ATOM 0 H ALA B 449 -19.061 25.862 -7.541 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.049 26.979 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.240 24.896 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.518 25.618 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.747 24.212 -7.060 1.00 0.00 H new ATOM 528 N PRO B 450 -20.923 25.775 -3.603 1.00 0.00 N ATOM 529 CA PRO B 450 -20.678 25.282 -2.261 1.00 0.00 C ATOM 530 C PRO B 450 -21.026 23.801 -2.143 1.00 0.00 C ATOM 531 O PRO B 450 -21.922 23.311 -2.832 1.00 0.00 O ATOM 532 CB PRO B 450 -21.564 26.129 -1.349 1.00 0.00 C ATOM 533 CG PRO B 450 -22.702 26.581 -2.263 1.00 0.00 C ATOM 534 CD PRO B 450 -22.052 26.678 -3.640 1.00 0.00 C ATOM 0 HA PRO B 450 -19.625 25.364 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -21.936 25.551 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.019 26.979 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.525 25.866 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.112 27.540 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.754 26.396 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.731 27.698 -3.851 1.00 0.00 H new ATOM 542 N LYS B 451 -20.313 23.088 -1.270 1.00 0.00 N ATOM 543 CA LYS B 451 -20.604 21.689 -0.971 1.00 0.00 C ATOM 544 C LYS B 451 -21.946 21.569 -0.234 1.00 0.00 C ATOM 545 O LYS B 451 -22.821 20.844 -0.705 1.00 0.00 O ATOM 546 CB LYS B 451 -19.440 21.079 -0.180 1.00 0.00 C ATOM 547 CG LYS B 451 -19.745 19.654 0.287 1.00 0.00 C ATOM 548 CD LYS B 451 -19.023 19.354 1.601 1.00 0.00 C ATOM 549 CE LYS B 451 -17.546 19.724 1.490 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.815 19.408 2.733 1.00 0.00 N ATOM 0 H LYS B 451 -19.519 23.465 -0.752 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.703 21.124 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.544 21.072 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.223 21.705 0.686 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.820 19.531 0.420 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.434 18.941 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.485 19.914 2.414 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.123 18.296 1.845 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.097 19.186 0.655 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.452 20.788 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.250 20.232 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.494 19.173 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.186 18.597 2.569 1.00 0.00 H new ATOM 564 N PRO B 452 -22.127 22.262 0.905 1.00 0.00 N ATOM 565 CA PRO B 452 -23.413 22.341 1.582 1.00 0.00 C ATOM 566 C PRO B 452 -24.410 23.146 0.749 1.00 0.00 C ATOM 567 O PRO B 452 -24.034 23.804 -0.220 1.00 0.00 O ATOM 568 CB PRO B 452 -23.133 23.031 2.922 1.00 0.00 C ATOM 569 CG PRO B 452 -21.868 23.848 2.653 1.00 0.00 C ATOM 570 CD PRO B 452 -21.113 23.011 1.626 1.00 0.00 C ATOM 0 HA PRO B 452 -23.855 21.355 1.727 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -23.964 23.668 3.226 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -22.979 22.306 3.721 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.105 24.839 2.266 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.283 23.992 3.561 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.540 23.645 0.949 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.404 22.341 2.112 1.00 0.00 H new ATOM 578 N ASP B 453 -25.686 23.094 1.141 1.00 0.00 N ATOM 579 CA ASP B 453 -26.750 23.814 0.447 1.00 0.00 C ATOM 580 C ASP B 453 -26.684 25.328 0.666 1.00 0.00 C ATOM 581 O ASP B 453 -27.454 26.077 0.065 1.00 0.00 O ATOM 582 CB ASP B 453 -28.114 23.262 0.871 1.00 0.00 C ATOM 583 CG ASP B 453 -28.351 21.829 0.383 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.414 21.276 0.746 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.477 21.303 -0.342 1.00 0.00 O ATOM 0 H ASP B 453 -26.007 22.554 1.945 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.608 23.653 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.190 23.288 1.958 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.900 23.909 0.481 1.00 0.00 H new ATOM 590 N GLY B 454 -25.765 25.785 1.526 1.00 0.00 N ATOM 591 CA GLY B 454 -25.599 27.198 1.826 1.00 0.00 C ATOM 592 C GLY B 454 -24.493 27.396 2.854 1.00 0.00 C ATOM 593 O GLY B 454 -24.759 27.114 4.043 1.00 0.00 O ATOM 0 H GLY B 454 -25.119 25.178 2.030 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.358 27.744 0.914 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.535 27.608 2.206 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 -4.514 17.926 4.070 1.00 0.00 O ATOM 599 C5' U A 1 -3.631 17.430 3.085 1.00 0.00 C ATOM 600 C4' U A 1 -4.318 17.438 1.724 1.00 0.00 C ATOM 601 O4' U A 1 -4.512 18.758 1.254 1.00 0.00 O ATOM 602 C3' U A 1 -3.453 16.748 0.680 1.00 0.00 C ATOM 603 O3' U A 1 -3.626 15.345 0.739 1.00 0.00 O ATOM 604 C2' U A 1 -3.969 17.370 -0.613 1.00 0.00 C ATOM 605 O2' U A 1 -5.054 16.626 -1.132 1.00 0.00 O ATOM 606 C1' U A 1 -4.471 18.746 -0.168 1.00 0.00 C ATOM 607 N1 U A 1 -3.594 19.806 -0.715 1.00 0.00 N ATOM 608 C2 U A 1 -2.477 20.223 0.007 1.00 0.00 C ATOM 609 O2 U A 1 -2.131 19.713 1.074 1.00 0.00 O ATOM 610 N3 U A 1 -1.751 21.270 -0.542 1.00 0.00 N ATOM 611 C4 U A 1 -2.010 21.898 -1.746 1.00 0.00 C ATOM 612 O4 U A 1 -1.302 22.824 -2.135 1.00 0.00 O ATOM 613 C5 U A 1 -3.151 21.363 -2.454 1.00 0.00 C ATOM 614 C6 U A 1 -3.886 20.354 -1.933 1.00 0.00 C ATOM 0 H5' U A 1 -3.320 16.417 3.340 1.00 0.00 H new ATOM 0 H5'' U A 1 -2.729 18.041 3.051 1.00 0.00 H new ATOM 0 H4' U A 1 -5.271 16.926 1.860 1.00 0.00 H new ATOM 0 H3' U A 1 -2.379 16.884 0.805 1.00 0.00 H new ATOM 0 H2' U A 1 -3.206 17.405 -1.391 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.880 17.146 -1.043 1.00 0.00 H new ATOM 0 HO5' U A 1 -4.069 17.917 4.943 1.00 0.00 H new ATOM 0 H1' U A 1 -5.473 18.942 -0.549 1.00 0.00 H new ATOM 0 H3 U A 1 -0.951 21.608 -0.007 1.00 0.00 H new ATOM 0 H5 U A 1 -3.421 21.776 -3.415 1.00 0.00 H new ATOM 0 H6 U A 1 -4.726 19.971 -2.494 1.00 0.00 H new ATOM 625 P G A 2 -2.567 14.334 0.064 1.00 0.00 P ATOM 626 OP1 G A 2 -2.700 13.024 0.743 1.00 0.00 O ATOM 627 OP2 G A 2 -1.244 15.004 0.018 1.00 0.00 O ATOM 628 O5' G A 2 -3.096 14.155 -1.441 1.00 0.00 O ATOM 629 C5' G A 2 -2.407 13.314 -2.346 1.00 0.00 C ATOM 630 C4' G A 2 -3.319 12.885 -3.493 1.00 0.00 C ATOM 631 O4' G A 2 -4.343 12.016 -3.038 1.00 0.00 O ATOM 632 C3' G A 2 -4.000 14.057 -4.188 1.00 0.00 C ATOM 633 O3' G A 2 -3.172 14.633 -5.179 1.00 0.00 O ATOM 634 C2' G A 2 -5.215 13.368 -4.786 1.00 0.00 C ATOM 635 O2' G A 2 -4.882 12.679 -5.975 1.00 0.00 O ATOM 636 C1' G A 2 -5.556 12.348 -3.706 1.00 0.00 C ATOM 637 N9 G A 2 -6.506 12.948 -2.752 1.00 0.00 N ATOM 638 C8 G A 2 -6.272 13.870 -1.771 1.00 0.00 C ATOM 639 N7 G A 2 -7.322 14.185 -1.070 1.00 0.00 N ATOM 640 C5 G A 2 -8.339 13.425 -1.642 1.00 0.00 C ATOM 641 C6 G A 2 -9.717 13.329 -1.299 1.00 0.00 C ATOM 642 O6 G A 2 -10.322 13.899 -0.394 1.00 0.00 O ATOM 643 N1 G A 2 -10.394 12.457 -2.135 1.00 0.00 N ATOM 644 C2 G A 2 -9.829 11.777 -3.190 1.00 0.00 C ATOM 645 N2 G A 2 -10.649 11.031 -3.931 1.00 0.00 N ATOM 646 N3 G A 2 -8.531 11.832 -3.495 1.00 0.00 N ATOM 647 C4 G A 2 -7.850 12.677 -2.684 1.00 0.00 C ATOM 0 H5' G A 2 -2.038 12.433 -1.821 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.537 13.836 -2.744 1.00 0.00 H new ATOM 0 H4' G A 2 -2.661 12.382 -4.201 1.00 0.00 H new ATOM 0 H3' G A 2 -4.239 14.894 -3.533 1.00 0.00 H new ATOM 0 H2' G A 2 -6.015 14.062 -5.044 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.007 12.982 -6.295 1.00 0.00 H new ATOM 0 H1' G A 2 -6.012 11.457 -4.137 1.00 0.00 H new ATOM 0 H8 G A 2 -5.298 14.301 -1.593 1.00 0.00 H new ATOM 0 H1 G A 2 -11.387 12.307 -1.955 1.00 0.00 H new ATOM 0 H21 G A 2 -10.283 10.506 -4.725 1.00 0.00 H new ATOM 0 H22 G A 2 -11.642 10.985 -3.704 1.00 0.00 H new ATOM 659 P G A 3 -3.544 16.053 -5.846 1.00 0.00 P ATOM 660 OP1 G A 3 -2.362 16.525 -6.602 1.00 0.00 O ATOM 661 OP2 G A 3 -4.130 16.915 -4.791 1.00 0.00 O ATOM 662 O5' G A 3 -4.714 15.698 -6.903 1.00 0.00 O ATOM 663 C5' G A 3 -4.444 14.974 -8.090 1.00 0.00 C ATOM 664 C4' G A 3 -4.817 15.796 -9.322 1.00 0.00 C ATOM 665 O4' G A 3 -6.179 16.194 -9.248 1.00 0.00 O ATOM 666 C3' G A 3 -3.952 17.055 -9.405 1.00 0.00 C ATOM 667 O3' G A 3 -3.677 17.408 -10.748 1.00 0.00 O ATOM 668 C2' G A 3 -4.854 18.093 -8.759 1.00 0.00 C ATOM 669 O2' G A 3 -4.591 19.398 -9.241 1.00 0.00 O ATOM 670 C1' G A 3 -6.244 17.611 -9.155 1.00 0.00 C ATOM 671 N9 G A 3 -7.266 18.042 -8.180 1.00 0.00 N ATOM 672 C8 G A 3 -7.165 18.988 -7.189 1.00 0.00 C ATOM 673 N7 G A 3 -8.263 19.157 -6.506 1.00 0.00 N ATOM 674 C5 G A 3 -9.160 18.267 -7.087 1.00 0.00 C ATOM 675 C6 G A 3 -10.520 18.001 -6.768 1.00 0.00 C ATOM 676 O6 G A 3 -11.210 18.503 -5.884 1.00 0.00 O ATOM 677 N1 G A 3 -11.073 17.046 -7.605 1.00 0.00 N ATOM 678 C2 G A 3 -10.394 16.392 -8.605 1.00 0.00 C ATOM 679 N2 G A 3 -11.083 15.492 -9.305 1.00 0.00 N ATOM 680 N3 G A 3 -9.114 16.618 -8.903 1.00 0.00 N ATOM 681 C4 G A 3 -8.559 17.574 -8.110 1.00 0.00 C ATOM 0 H5' G A 3 -5.005 14.039 -8.087 1.00 0.00 H new ATOM 0 H5'' G A 3 -3.387 14.711 -8.129 1.00 0.00 H new ATOM 0 H4' G A 3 -4.654 15.177 -10.204 1.00 0.00 H new ATOM 0 H3' G A 3 -2.977 16.944 -8.931 1.00 0.00 H new ATOM 0 H2' G A 3 -4.714 18.175 -7.681 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.194 19.343 -10.135 1.00 0.00 H new ATOM 0 H1' G A 3 -6.541 18.045 -10.110 1.00 0.00 H new ATOM 0 H8 G A 3 -6.259 19.542 -6.993 1.00 0.00 H new ATOM 0 H1 G A 3 -12.056 16.811 -7.469 1.00 0.00 H new ATOM 0 H21 G A 3 -10.629 14.977 -10.059 1.00 0.00 H new ATOM 0 H22 G A 3 -12.064 15.318 -9.087 1.00 0.00 H new ATOM 693 P U A 4 -2.904 16.397 -11.736 1.00 0.00 P ATOM 694 OP1 U A 4 -2.292 15.317 -10.930 1.00 0.00 O ATOM 695 OP2 U A 4 -2.063 17.197 -12.653 1.00 0.00 O ATOM 696 O5' U A 4 -4.126 15.776 -12.581 1.00 0.00 O ATOM 697 C5' U A 4 -4.703 16.520 -13.631 1.00 0.00 C ATOM 698 C4' U A 4 -6.082 15.970 -13.982 1.00 0.00 C ATOM 699 O4' U A 4 -6.988 16.193 -12.917 1.00 0.00 O ATOM 700 C3' U A 4 -6.642 16.679 -15.223 1.00 0.00 C ATOM 701 O3' U A 4 -6.691 15.800 -16.335 1.00 0.00 O ATOM 702 C2' U A 4 -8.042 17.119 -14.810 1.00 0.00 C ATOM 703 O2' U A 4 -9.022 16.727 -15.754 1.00 0.00 O ATOM 704 C1' U A 4 -8.270 16.423 -13.474 1.00 0.00 C ATOM 705 N1 U A 4 -9.074 17.278 -12.572 1.00 0.00 N ATOM 706 C2 U A 4 -10.430 17.013 -12.459 1.00 0.00 C ATOM 707 O2 U A 4 -10.984 16.109 -13.083 1.00 0.00 O ATOM 708 N3 U A 4 -11.140 17.825 -11.592 1.00 0.00 N ATOM 709 C4 U A 4 -10.618 18.861 -10.835 1.00 0.00 C ATOM 710 O4 U A 4 -11.337 19.502 -10.073 1.00 0.00 O ATOM 711 C5 U A 4 -9.205 19.084 -11.038 1.00 0.00 C ATOM 712 C6 U A 4 -8.488 18.305 -11.880 1.00 0.00 C ATOM 0 H5' U A 4 -4.057 16.484 -14.508 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.786 17.567 -13.340 1.00 0.00 H new ATOM 0 H4' U A 4 -5.972 14.902 -14.171 1.00 0.00 H new ATOM 0 H3' U A 4 -6.020 17.518 -15.535 1.00 0.00 H new ATOM 0 H2' U A 4 -8.123 18.204 -14.746 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.599 16.202 -16.465 1.00 0.00 H new ATOM 0 H1' U A 4 -8.817 15.490 -13.608 1.00 0.00 H new ATOM 0 H3 U A 4 -12.140 17.644 -11.502 1.00 0.00 H new ATOM 0 H5 U A 4 -8.713 19.886 -10.508 1.00 0.00 H new ATOM 0 H6 U A 4 -7.433 18.496 -12.009 1.00 0.00 H new ATOM 723 P G A 5 -5.348 15.258 -17.035 1.00 0.00 P ATOM 724 OP1 G A 5 -4.316 16.315 -16.944 1.00 0.00 O ATOM 725 OP2 G A 5 -5.711 14.703 -18.362 1.00 0.00 O ATOM 726 O5' G A 5 -4.914 14.036 -16.087 1.00 0.00 O ATOM 727 C5' G A 5 -3.568 13.617 -16.014 1.00 0.00 C ATOM 728 C4' G A 5 -3.469 12.317 -15.217 1.00 0.00 C ATOM 729 O4' G A 5 -3.851 12.510 -13.862 1.00 0.00 O ATOM 730 C3' G A 5 -4.364 11.235 -15.804 1.00 0.00 C ATOM 731 O3' G A 5 -3.673 10.439 -16.749 1.00 0.00 O ATOM 732 C2' G A 5 -4.757 10.429 -14.575 1.00 0.00 C ATOM 733 O2' G A 5 -3.774 9.453 -14.281 1.00 0.00 O ATOM 734 C1' G A 5 -4.753 11.484 -13.473 1.00 0.00 C ATOM 735 N9 G A 5 -6.102 12.060 -13.277 1.00 0.00 N ATOM 736 C8 G A 5 -7.027 12.437 -14.219 1.00 0.00 C ATOM 737 N7 G A 5 -8.133 12.911 -13.718 1.00 0.00 N ATOM 738 C5 G A 5 -7.934 12.838 -12.338 1.00 0.00 C ATOM 739 C6 G A 5 -8.799 13.202 -11.266 1.00 0.00 C ATOM 740 O6 G A 5 -9.924 13.694 -11.320 1.00 0.00 O ATOM 741 N1 G A 5 -8.227 12.938 -10.034 1.00 0.00 N ATOM 742 C2 G A 5 -6.981 12.383 -9.848 1.00 0.00 C ATOM 743 N2 G A 5 -6.608 12.172 -8.585 1.00 0.00 N ATOM 744 N3 G A 5 -6.155 12.057 -10.845 1.00 0.00 N ATOM 745 C4 G A 5 -6.693 12.312 -12.062 1.00 0.00 C ATOM 0 H5' G A 5 -2.963 14.390 -15.541 1.00 0.00 H new ATOM 0 H5'' G A 5 -3.169 13.469 -17.018 1.00 0.00 H new ATOM 0 H4' G A 5 -2.426 12.005 -15.269 1.00 0.00 H new ATOM 0 H3' G A 5 -5.218 11.633 -16.353 1.00 0.00 H new ATOM 0 H2' G A 5 -5.703 9.902 -14.696 1.00 0.00 H new ATOM 0 HO2' G A 5 -3.181 9.343 -15.053 1.00 0.00 H new ATOM 0 HO3' G A 5 -4.277 9.754 -17.104 1.00 0.00 H new ATOM 0 H1' G A 5 -4.449 11.026 -12.532 1.00 0.00 H new ATOM 0 H8 G A 5 -6.854 12.349 -15.281 1.00 0.00 H new ATOM 0 H1 G A 5 -8.769 13.172 -9.202 1.00 0.00 H new ATOM 0 H21 G A 5 -5.695 11.763 -8.384 1.00 0.00 H new ATOM 0 H22 G A 5 -7.235 12.420 -7.820 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.801 22.777 -9.894 1.00 0.00 ZN