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= 0.293 K(o=0.61,f=-1.6) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -132:sc= 0.317 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 1.34 K(o=1.9,f=-1.7!) USER MOD Set 2.2: B 437 ASN : amide:sc= 0.61 K(o=1.9,f=-3.8!) USER MOD Single : A 1 U O2' : rot 160:sc= 1.09 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -24:sc= 0.183 USER MOD Single : A 3 G O2' : rot -34:sc= 0.341 USER MOD Single : A 4 U O2' : rot -74:sc= 0.287 USER MOD Single : A 5 G O2' : rot -75:sc= 0.947 USER MOD Single : A 5 G O3' : rot 135:sc= 0.23 USER MOD Single : B 418 SER OG : rot 180:sc= 0 USER MOD Single : B 420 GLN : amide:sc= 0.127 K(o=0.13,f=-0.72) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.626 K(o=-0.63,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl -173:sc= -1.13 (180deg=-1.23) USER MOD Single : B 439 SER OG : rot -68:sc= 0.942 USER MOD Single : B 445 ASN : amide:sc= 0.04 K(o=0.04,f=-2!) USER MOD Single : B 446 GLN : amide:sc= -0.0261 K(o=-0.026,f=-2.1) USER MOD Single : B 448 LYS NZ :NH3+ -168:sc=-0.00617 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 0.365 13.735 -5.636 1.00 0.00 N ATOM 2 CA GLY B 414 0.361 12.734 -6.716 1.00 0.00 C ATOM 3 C GLY B 414 -0.333 13.277 -7.958 1.00 0.00 C ATOM 4 O GLY B 414 -1.557 13.405 -7.972 1.00 0.00 O ATOM 0 HA2 GLY B 414 1.385 12.453 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -0.145 11.830 -6.378 1.00 0.00 H new ATOM 10 N PRO B 415 0.440 13.598 -9.009 1.00 0.00 N ATOM 11 CA PRO B 415 -0.075 14.110 -10.266 1.00 0.00 C ATOM 12 C PRO B 415 -1.096 13.159 -10.887 1.00 0.00 C ATOM 13 O PRO B 415 -1.039 11.948 -10.666 1.00 0.00 O ATOM 14 CB PRO B 415 1.142 14.289 -11.179 1.00 0.00 C ATOM 15 CG PRO B 415 2.330 14.355 -10.218 1.00 0.00 C ATOM 16 CD PRO B 415 1.887 13.511 -9.026 1.00 0.00 C ATOM 0 HA PRO B 415 -0.602 15.052 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO B 415 1.241 13.458 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO B 415 1.062 15.198 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO B 415 3.236 13.956 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO B 415 2.547 15.381 -9.922 1.00 0.00 H new ATOM 0 HD2 PRO B 415 2.217 12.478 -9.132 1.00 0.00 H new ATOM 0 HD3 PRO B 415 2.314 13.888 -8.097 1.00 0.00 H new ATOM 24 N LEU B 416 -2.028 13.717 -11.664 1.00 0.00 N ATOM 25 CA LEU B 416 -3.101 12.962 -12.311 1.00 0.00 C ATOM 26 C LEU B 416 -3.932 12.165 -11.299 1.00 0.00 C ATOM 27 O LEU B 416 -4.662 11.251 -11.674 1.00 0.00 O ATOM 28 CB LEU B 416 -2.528 12.066 -13.418 1.00 0.00 C ATOM 29 CG LEU B 416 -1.640 12.857 -14.386 1.00 0.00 C ATOM 30 CD1 LEU B 416 -1.047 11.903 -15.420 1.00 0.00 C ATOM 31 CD2 LEU B 416 -2.449 13.928 -15.115 1.00 0.00 C ATOM 0 H LEU B 416 -2.058 14.717 -11.863 1.00 0.00 H new ATOM 0 HA LEU B 416 -3.785 13.674 -12.773 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -1.948 11.259 -12.969 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -3.345 11.602 -13.970 1.00 0.00 H new ATOM 0 HG LEU B 416 -0.849 13.339 -13.812 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -0.415 12.462 -16.110 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -0.450 11.144 -14.915 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -1.852 11.421 -15.975 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -1.797 14.476 -15.796 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -3.251 13.455 -15.682 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -2.877 14.618 -14.388 1.00 0.00 H new ATOM 43 N GLY B 417 -3.821 12.511 -10.012 1.00 0.00 N ATOM 44 CA GLY B 417 -4.557 11.847 -8.944 1.00 0.00 C ATOM 45 C GLY B 417 -6.020 12.289 -8.904 1.00 0.00 C ATOM 46 O GLY B 417 -6.765 11.883 -8.015 1.00 0.00 O ATOM 0 H GLY B 417 -3.214 13.263 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -4.507 10.767 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -4.085 12.066 -7.986 1.00 0.00 H new ATOM 50 N SER B 418 -6.436 13.126 -9.861 1.00 0.00 N ATOM 51 CA SER B 418 -7.793 13.654 -9.907 1.00 0.00 C ATOM 52 C SER B 418 -8.811 12.544 -10.180 1.00 0.00 C ATOM 53 O SER B 418 -10.008 12.750 -9.997 1.00 0.00 O ATOM 54 CB SER B 418 -7.868 14.724 -10.995 1.00 0.00 C ATOM 55 OG SER B 418 -7.582 14.153 -12.256 1.00 0.00 O ATOM 0 H SER B 418 -5.839 13.452 -10.621 1.00 0.00 H new ATOM 0 HA SER B 418 -8.038 14.091 -8.939 1.00 0.00 H new ATOM 0 HB2 SER B 418 -8.861 15.173 -11.007 1.00 0.00 H new ATOM 0 HB3 SER B 418 -7.159 15.524 -10.780 1.00 0.00 H new ATOM 0 HG SER B 418 -7.634 14.845 -12.948 1.00 0.00 H new ATOM 61 N GLY B 419 -8.342 11.368 -10.617 1.00 0.00 N ATOM 62 CA GLY B 419 -9.210 10.230 -10.890 1.00 0.00 C ATOM 63 C GLY B 419 -9.460 9.388 -9.639 1.00 0.00 C ATOM 64 O GLY B 419 -10.295 8.485 -9.662 1.00 0.00 O ATOM 0 H GLY B 419 -7.353 11.185 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -10.162 10.586 -11.284 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -8.759 9.607 -11.662 1.00 0.00 H new ATOM 68 N GLN B 420 -8.741 9.678 -8.549 1.00 0.00 N ATOM 69 CA GLN B 420 -8.870 8.931 -7.304 1.00 0.00 C ATOM 70 C GLN B 420 -10.164 9.318 -6.582 1.00 0.00 C ATOM 71 O GLN B 420 -10.702 10.398 -6.809 1.00 0.00 O ATOM 72 CB GLN B 420 -7.630 9.201 -6.432 1.00 0.00 C ATOM 73 CG GLN B 420 -7.665 8.421 -5.113 1.00 0.00 C ATOM 74 CD GLN B 420 -7.730 6.912 -5.344 1.00 0.00 C ATOM 75 OE1 GLN B 420 -7.163 6.398 -6.303 1.00 0.00 O ATOM 76 NE2 GLN B 420 -8.423 6.196 -4.463 1.00 0.00 N ATOM 0 H GLN B 420 -8.058 10.434 -8.510 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.926 7.863 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -6.732 8.931 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.564 10.268 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -6.778 8.660 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -8.529 8.736 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -8.881 6.658 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -8.496 5.185 -4.573 1.00 0.00 H new ATOM 85 N GLN B 421 -10.656 8.435 -5.706 1.00 0.00 N ATOM 86 CA GLN B 421 -11.826 8.708 -4.885 1.00 0.00 C ATOM 87 C GLN B 421 -11.524 8.343 -3.433 1.00 0.00 C ATOM 88 O GLN B 421 -10.761 7.410 -3.173 1.00 0.00 O ATOM 89 CB GLN B 421 -13.039 7.945 -5.428 1.00 0.00 C ATOM 90 CG GLN B 421 -12.809 6.431 -5.391 1.00 0.00 C ATOM 91 CD GLN B 421 -14.014 5.665 -5.929 1.00 0.00 C ATOM 92 OE1 GLN B 421 -15.022 6.254 -6.307 1.00 0.00 O ATOM 93 NE2 GLN B 421 -13.915 4.336 -5.961 1.00 0.00 N ATOM 0 H GLN B 421 -10.249 7.512 -5.551 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.068 9.770 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -13.921 8.195 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -13.240 8.259 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -11.927 6.182 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -12.607 6.118 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -13.061 3.880 -5.639 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -14.693 3.775 -6.308 1.00 0.00 H new ATOM 102 N ARG B 422 -12.122 9.078 -2.489 1.00 0.00 N ATOM 103 CA ARG B 422 -11.928 8.849 -1.063 1.00 0.00 C ATOM 104 C ARG B 422 -13.217 9.147 -0.299 1.00 0.00 C ATOM 105 O ARG B 422 -14.050 9.935 -0.751 1.00 0.00 O ATOM 106 CB ARG B 422 -10.793 9.735 -0.528 1.00 0.00 C ATOM 107 CG ARG B 422 -9.442 9.388 -1.160 1.00 0.00 C ATOM 108 CD ARG B 422 -8.350 10.264 -0.553 1.00 0.00 C ATOM 109 NE ARG B 422 -7.071 10.084 -1.246 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.887 9.988 -0.627 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.799 10.112 0.694 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.785 9.769 -1.336 1.00 0.00 N ATOM 0 H ARG B 422 -12.755 9.850 -2.699 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.660 7.803 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.027 10.781 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.726 9.623 0.554 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.212 8.336 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.485 9.539 -2.239 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.650 11.311 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.231 10.020 0.503 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.083 10.028 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.639 10.282 1.247 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -4.892 10.037 1.154 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.841 9.674 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.883 9.696 -0.866 1.00 0.00 H new ATOM 126 N ALA B 423 -13.379 8.512 0.863 1.00 0.00 N ATOM 127 CA ALA B 423 -14.545 8.739 1.695 1.00 0.00 C ATOM 128 C ALA B 423 -14.577 10.195 2.147 1.00 0.00 C ATOM 129 O ALA B 423 -13.596 10.707 2.685 1.00 0.00 O ATOM 130 CB ALA B 423 -14.507 7.793 2.897 1.00 0.00 C ATOM 0 H ALA B 423 -12.714 7.838 1.243 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.452 8.537 1.125 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.383 7.964 3.522 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.506 6.761 2.548 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.604 7.980 3.479 1.00 0.00 H new ATOM 136 N GLY B 424 -15.714 10.860 1.924 1.00 0.00 N ATOM 137 CA GLY B 424 -15.901 12.253 2.304 1.00 0.00 C ATOM 138 C GLY B 424 -15.876 13.159 1.077 1.00 0.00 C ATOM 139 O GLY B 424 -16.206 14.336 1.181 1.00 0.00 O ATOM 0 H GLY B 424 -16.529 10.442 1.474 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.851 12.367 2.826 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.117 12.553 2.999 1.00 0.00 H new ATOM 143 N ASP B 425 -15.488 12.619 -0.082 1.00 0.00 N ATOM 144 CA ASP B 425 -15.550 13.357 -1.333 1.00 0.00 C ATOM 145 C ASP B 425 -16.980 13.750 -1.682 1.00 0.00 C ATOM 146 O ASP B 425 -17.931 13.154 -1.174 1.00 0.00 O ATOM 147 CB ASP B 425 -14.929 12.540 -2.463 1.00 0.00 C ATOM 148 CG ASP B 425 -13.414 12.403 -2.319 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.856 12.991 -1.367 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.823 11.706 -3.170 1.00 0.00 O ATOM 0 H ASP B 425 -15.127 11.669 -0.173 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.977 14.276 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.381 11.548 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.159 13.012 -3.418 1.00 0.00 H new ATOM 155 N TRP B 426 -17.142 14.753 -2.552 1.00 0.00 N ATOM 156 CA TRP B 426 -18.468 15.234 -2.896 1.00 0.00 C ATOM 157 C TRP B 426 -18.476 15.828 -4.302 1.00 0.00 C ATOM 158 O TRP B 426 -17.537 16.513 -4.701 1.00 0.00 O ATOM 159 CB TRP B 426 -18.908 16.261 -1.853 1.00 0.00 C ATOM 160 CG TRP B 426 -18.067 17.498 -1.771 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.944 17.636 -1.033 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.226 18.766 -2.480 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.417 18.897 -1.212 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.167 19.639 -2.096 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.183 19.289 -3.371 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.059 20.948 -2.574 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.081 20.600 -3.863 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.027 21.432 -3.464 1.00 0.00 C ATOM 0 H TRP B 426 -16.377 15.237 -3.021 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.174 14.403 -2.894 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.935 16.555 -2.069 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.913 15.780 -0.875 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.522 16.872 -0.397 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.576 19.238 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.011 18.670 -3.682 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.240 21.578 -2.261 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.822 20.971 -4.556 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.961 22.442 -3.841 1.00 0.00 H new ATOM 179 N LYS B 427 -19.545 15.561 -5.055 1.00 0.00 N ATOM 180 CA LYS B 427 -19.674 16.043 -6.421 1.00 0.00 C ATOM 181 C LYS B 427 -20.344 17.413 -6.432 1.00 0.00 C ATOM 182 O LYS B 427 -21.205 17.688 -5.600 1.00 0.00 O ATOM 183 CB LYS B 427 -20.474 15.028 -7.235 1.00 0.00 C ATOM 184 CG LYS B 427 -20.463 15.389 -8.724 1.00 0.00 C ATOM 185 CD LYS B 427 -21.567 14.637 -9.465 1.00 0.00 C ATOM 186 CE LYS B 427 -22.926 15.246 -9.106 1.00 0.00 C ATOM 187 NZ LYS B 427 -24.024 14.565 -9.816 1.00 0.00 N ATOM 0 H LYS B 427 -20.339 15.007 -4.732 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.688 16.153 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.054 14.032 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.501 14.994 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.602 16.463 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.493 15.143 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.403 14.695 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.547 13.581 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.086 15.174 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.930 16.306 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.931 15.000 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.883 14.655 -10.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -24.034 13.558 -9.555 1.00 0.00 H new ATOM 201 N CYS B 428 -19.947 18.267 -7.375 1.00 0.00 N ATOM 202 CA CYS B 428 -20.501 19.597 -7.513 1.00 0.00 C ATOM 203 C CYS B 428 -22.010 19.519 -7.779 1.00 0.00 C ATOM 204 O CYS B 428 -22.443 18.757 -8.648 1.00 0.00 O ATOM 205 CB CYS B 428 -19.773 20.312 -8.652 1.00 0.00 C ATOM 206 SG CYS B 428 -20.303 22.036 -8.704 1.00 0.00 S ATOM 0 H CYS B 428 -19.228 18.046 -8.064 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.361 20.160 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.695 20.255 -8.503 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.990 19.823 -9.602 1.00 0.00 H new ATOM 211 N PRO B 429 -22.820 20.296 -7.042 1.00 0.00 N ATOM 212 CA PRO B 429 -24.264 20.308 -7.179 1.00 0.00 C ATOM 213 C PRO B 429 -24.704 21.004 -8.466 1.00 0.00 C ATOM 214 O PRO B 429 -25.864 20.891 -8.862 1.00 0.00 O ATOM 215 CB PRO B 429 -24.777 21.062 -5.951 1.00 0.00 C ATOM 216 CG PRO B 429 -23.621 21.997 -5.593 1.00 0.00 C ATOM 217 CD PRO B 429 -22.383 21.206 -6.003 1.00 0.00 C ATOM 0 HA PRO B 429 -24.665 19.296 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.688 21.618 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -25.011 20.382 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.689 22.943 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.611 22.234 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.599 21.869 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.969 20.661 -5.155 1.00 0.00 H new ATOM 225 N ASN B 430 -23.788 21.722 -9.126 1.00 0.00 N ATOM 226 CA ASN B 430 -24.091 22.409 -10.371 1.00 0.00 C ATOM 227 C ASN B 430 -24.247 21.356 -11.475 1.00 0.00 C ATOM 228 O ASN B 430 -23.337 20.553 -11.676 1.00 0.00 O ATOM 229 CB ASN B 430 -22.933 23.357 -10.702 1.00 0.00 C ATOM 230 CG ASN B 430 -23.387 24.673 -11.320 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.552 24.849 -11.663 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.452 25.605 -11.466 1.00 0.00 N ATOM 0 H ASN B 430 -22.825 21.838 -8.809 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.012 22.986 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.373 23.566 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.250 22.858 -11.389 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.691 26.508 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.495 25.418 -11.168 1.00 0.00 H new ATOM 239 N PRO B 431 -25.380 21.343 -12.194 1.00 0.00 N ATOM 240 CA PRO B 431 -25.610 20.404 -13.278 1.00 0.00 C ATOM 241 C PRO B 431 -24.670 20.690 -14.450 1.00 0.00 C ATOM 242 O PRO B 431 -24.464 19.831 -15.305 1.00 0.00 O ATOM 243 CB PRO B 431 -27.074 20.602 -13.680 1.00 0.00 C ATOM 244 CG PRO B 431 -27.398 22.027 -13.233 1.00 0.00 C ATOM 245 CD PRO B 431 -26.509 22.229 -12.008 1.00 0.00 C ATOM 0 HA PRO B 431 -25.414 19.375 -12.976 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.211 20.481 -14.755 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.723 19.875 -13.192 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.175 22.753 -14.015 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.454 22.140 -12.986 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.184 23.266 -11.927 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.047 21.991 -11.090 1.00 0.00 H new ATOM 253 N THR B 432 -24.098 21.898 -14.483 1.00 0.00 N ATOM 254 CA THR B 432 -23.123 22.288 -15.496 1.00 0.00 C ATOM 255 C THR B 432 -21.683 21.985 -15.088 1.00 0.00 C ATOM 256 O THR B 432 -20.750 22.275 -15.843 1.00 0.00 O ATOM 257 CB THR B 432 -23.303 23.756 -15.894 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.605 24.585 -14.987 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.782 24.153 -15.898 1.00 0.00 C ATOM 0 H THR B 432 -24.301 22.632 -13.804 1.00 0.00 H new ATOM 0 HA THR B 432 -23.320 21.672 -16.373 1.00 0.00 H new ATOM 0 HB THR B 432 -22.906 23.882 -16.901 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.721 25.523 -15.246 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.877 25.200 -16.184 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.324 23.531 -16.611 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.200 24.010 -14.901 1.00 0.00 H new ATOM 267 N CYS B 433 -21.499 21.404 -13.899 1.00 0.00 N ATOM 268 CA CYS B 433 -20.186 21.114 -13.344 1.00 0.00 C ATOM 269 C CYS B 433 -20.015 19.611 -13.134 1.00 0.00 C ATOM 270 O CYS B 433 -19.228 18.971 -13.832 1.00 0.00 O ATOM 271 CB CYS B 433 -20.040 21.869 -12.026 1.00 0.00 C ATOM 272 SG CYS B 433 -18.373 21.634 -11.374 1.00 0.00 S ATOM 0 H CYS B 433 -22.269 21.121 -13.293 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.409 21.438 -14.037 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.235 22.930 -12.180 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.776 21.511 -11.307 1.00 0.00 H new ATOM 277 N GLU B 434 -20.760 19.057 -12.168 1.00 0.00 N ATOM 278 CA GLU B 434 -20.709 17.642 -11.812 1.00 0.00 C ATOM 279 C GLU B 434 -19.283 17.149 -11.540 1.00 0.00 C ATOM 280 O GLU B 434 -19.020 15.950 -11.615 1.00 0.00 O ATOM 281 CB GLU B 434 -21.418 16.806 -12.883 1.00 0.00 C ATOM 282 CG GLU B 434 -22.902 17.173 -12.939 1.00 0.00 C ATOM 283 CD GLU B 434 -23.677 16.275 -13.902 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.925 16.397 -13.914 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.029 15.474 -14.613 1.00 0.00 O ATOM 0 H GLU B 434 -21.423 19.591 -11.607 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.242 17.516 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.956 16.978 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.306 15.745 -12.660 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.333 17.092 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.007 18.213 -13.249 1.00 0.00 H new ATOM 292 N ASN B 435 -18.354 18.062 -11.228 1.00 0.00 N ATOM 293 CA ASN B 435 -16.977 17.701 -10.930 1.00 0.00 C ATOM 294 C ASN B 435 -16.900 17.010 -9.569 1.00 0.00 C ATOM 295 O ASN B 435 -17.589 17.405 -8.630 1.00 0.00 O ATOM 296 CB ASN B 435 -16.108 18.957 -10.937 1.00 0.00 C ATOM 297 CG ASN B 435 -14.637 18.616 -10.732 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.063 17.836 -11.487 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.018 19.202 -9.713 1.00 0.00 N ATOM 0 H ASN B 435 -18.542 19.063 -11.177 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.611 17.011 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.233 19.482 -11.884 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.439 19.635 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.032 19.009 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.529 19.845 -9.107 1.00 0.00 H new ATOM 306 N MET B 436 -16.062 15.977 -9.459 1.00 0.00 N ATOM 307 CA MET B 436 -15.855 15.282 -8.197 1.00 0.00 C ATOM 308 C MET B 436 -14.840 16.048 -7.354 1.00 0.00 C ATOM 309 O MET B 436 -13.634 15.930 -7.574 1.00 0.00 O ATOM 310 CB MET B 436 -15.377 13.858 -8.481 1.00 0.00 C ATOM 311 CG MET B 436 -15.112 13.089 -7.181 1.00 0.00 C ATOM 312 SD MET B 436 -16.415 11.926 -6.708 1.00 0.00 S ATOM 313 CE MET B 436 -17.586 13.085 -5.977 1.00 0.00 C ATOM 0 H MET B 436 -15.515 15.606 -10.236 1.00 0.00 H new ATOM 0 HA MET B 436 -16.789 15.228 -7.638 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.127 13.331 -9.071 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.466 13.890 -9.079 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.175 12.541 -7.284 1.00 0.00 H new ATOM 0 HG3 MET B 436 -14.974 13.807 -6.372 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.404 12.533 -5.515 1.00 0.00 H new ATOM 0 HE2 MET B 436 -17.080 13.685 -5.220 1.00 0.00 H new ATOM 0 HE3 MET B 436 -17.983 13.739 -6.753 1.00 0.00 H new ATOM 323 N ASN B 437 -15.323 16.834 -6.391 1.00 0.00 N ATOM 324 CA ASN B 437 -14.464 17.648 -5.547 1.00 0.00 C ATOM 325 C ASN B 437 -13.943 16.831 -4.364 1.00 0.00 C ATOM 326 O ASN B 437 -14.623 15.933 -3.867 1.00 0.00 O ATOM 327 CB ASN B 437 -15.238 18.878 -5.071 1.00 0.00 C ATOM 328 CG ASN B 437 -15.743 19.708 -6.245 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.977 20.067 -7.137 1.00 0.00 O ATOM 330 ND2 ASN B 437 -17.034 20.020 -6.247 1.00 0.00 N ATOM 0 H ASN B 437 -16.317 16.920 -6.179 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.600 17.979 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.082 18.563 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.596 19.492 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.423 20.577 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.637 19.702 -5.488 1.00 0.00 H new ATOM 337 N PHE B 438 -12.728 17.149 -3.914 1.00 0.00 N ATOM 338 CA PHE B 438 -12.103 16.464 -2.794 1.00 0.00 C ATOM 339 C PHE B 438 -12.783 16.748 -1.456 1.00 0.00 C ATOM 340 O PHE B 438 -13.442 17.773 -1.292 1.00 0.00 O ATOM 341 CB PHE B 438 -10.597 16.750 -2.756 1.00 0.00 C ATOM 342 CG PHE B 438 -9.771 16.097 -3.853 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.501 16.612 -4.153 1.00 0.00 C ATOM 344 CD2 PHE B 438 -10.248 14.983 -4.567 1.00 0.00 C ATOM 345 CE1 PHE B 438 -7.701 16.009 -5.132 1.00 0.00 C ATOM 346 CE2 PHE B 438 -9.451 14.386 -5.553 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.174 14.891 -5.832 1.00 0.00 C ATOM 0 H PHE B 438 -12.154 17.889 -4.319 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.239 15.395 -2.959 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.450 17.829 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.209 16.423 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -8.137 17.481 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -11.230 14.587 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -6.720 16.406 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.823 13.533 -6.101 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.557 14.421 -6.583 1.00 0.00 H new ATOM 357 N SER B 439 -12.621 15.831 -0.499 1.00 0.00 N ATOM 358 CA SER B 439 -13.326 15.881 0.774 1.00 0.00 C ATOM 359 C SER B 439 -12.991 17.132 1.581 1.00 0.00 C ATOM 360 O SER B 439 -13.807 17.580 2.383 1.00 0.00 O ATOM 361 CB SER B 439 -12.958 14.643 1.593 1.00 0.00 C ATOM 362 OG SER B 439 -11.574 14.647 1.880 1.00 0.00 O ATOM 0 H SER B 439 -11.994 15.032 -0.590 1.00 0.00 H new ATOM 0 HA SER B 439 -14.394 15.908 0.559 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.530 14.627 2.521 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.221 13.740 1.041 1.00 0.00 H new ATOM 0 HG SER B 439 -11.068 14.506 1.053 1.00 0.00 H new ATOM 368 N TRP B 440 -11.799 17.696 1.372 1.00 0.00 N ATOM 369 CA TRP B 440 -11.355 18.844 2.149 1.00 0.00 C ATOM 370 C TRP B 440 -11.813 20.175 1.556 1.00 0.00 C ATOM 371 O TRP B 440 -11.663 21.213 2.194 1.00 0.00 O ATOM 372 CB TRP B 440 -9.839 18.793 2.313 1.00 0.00 C ATOM 373 CG TRP B 440 -9.064 18.581 1.052 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.645 17.390 0.576 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.655 19.569 0.055 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.975 17.571 -0.613 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.935 18.903 -0.977 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.806 20.963 -0.070 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.373 19.586 -2.058 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.252 21.657 -1.157 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.526 20.974 -2.145 1.00 0.00 C ATOM 0 H TRP B 440 -11.130 17.374 0.673 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.824 18.785 3.131 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.508 19.726 2.770 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.593 17.992 3.010 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.811 16.437 1.056 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.560 16.815 -1.158 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.357 21.507 0.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.826 19.048 -2.819 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.386 22.726 -1.234 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.087 21.517 -2.969 1.00 0.00 H new ATOM 392 N ARG B 441 -12.368 20.158 0.339 1.00 0.00 N ATOM 393 CA ARG B 441 -12.902 21.368 -0.280 1.00 0.00 C ATOM 394 C ARG B 441 -14.286 21.684 0.278 1.00 0.00 C ATOM 395 O ARG B 441 -15.045 20.775 0.611 1.00 0.00 O ATOM 396 CB ARG B 441 -12.972 21.204 -1.800 1.00 0.00 C ATOM 397 CG ARG B 441 -11.576 21.173 -2.413 1.00 0.00 C ATOM 398 CD ARG B 441 -11.693 21.165 -3.940 1.00 0.00 C ATOM 399 NE ARG B 441 -10.371 21.132 -4.574 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.570 22.192 -4.704 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.940 23.386 -4.248 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.388 22.054 -5.292 1.00 0.00 N ATOM 0 H ARG B 441 -12.457 19.318 -0.233 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.234 22.197 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.501 20.283 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.544 22.025 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -11.003 22.041 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.037 20.289 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.273 20.299 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.235 22.051 -4.270 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.041 20.239 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.846 23.500 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.318 24.188 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.096 21.141 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.772 22.860 -5.394 1.00 0.00 H new ATOM 416 N ASN B 442 -14.610 22.976 0.375 1.00 0.00 N ATOM 417 CA ASN B 442 -15.940 23.429 0.767 1.00 0.00 C ATOM 418 C ASN B 442 -16.647 24.105 -0.405 1.00 0.00 C ATOM 419 O ASN B 442 -17.817 24.473 -0.305 1.00 0.00 O ATOM 420 CB ASN B 442 -15.833 24.365 1.973 1.00 0.00 C ATOM 421 CG ASN B 442 -15.299 23.640 3.202 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.507 22.443 3.372 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.603 24.368 4.067 1.00 0.00 N ATOM 0 H ASN B 442 -13.955 23.734 0.183 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.541 22.567 1.055 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.176 25.200 1.729 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.814 24.785 2.196 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.221 23.934 4.907 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.451 25.361 3.891 1.00 0.00 H new ATOM 430 N GLU B 443 -15.930 24.267 -1.523 1.00 0.00 N ATOM 431 CA GLU B 443 -16.465 24.867 -2.735 1.00 0.00 C ATOM 432 C GLU B 443 -15.949 24.107 -3.952 1.00 0.00 C ATOM 433 O GLU B 443 -14.926 23.424 -3.879 1.00 0.00 O ATOM 434 CB GLU B 443 -16.073 26.342 -2.823 1.00 0.00 C ATOM 435 CG GLU B 443 -16.602 27.135 -1.624 1.00 0.00 C ATOM 436 CD GLU B 443 -16.304 28.627 -1.755 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.608 29.008 -2.725 1.00 0.00 O ATOM 438 OE2 GLU B 443 -16.772 29.381 -0.876 1.00 0.00 O ATOM 0 H GLU B 443 -14.955 23.981 -1.605 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.553 24.806 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.987 26.429 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.466 26.770 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.678 26.986 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.151 26.753 -0.708 1.00 0.00 H new ATOM 445 N CYS B 444 -16.662 24.225 -5.075 1.00 0.00 N ATOM 446 CA CYS B 444 -16.337 23.505 -6.291 1.00 0.00 C ATOM 447 C CYS B 444 -14.984 23.955 -6.839 1.00 0.00 C ATOM 448 O CYS B 444 -14.581 25.105 -6.663 1.00 0.00 O ATOM 449 CB CYS B 444 -17.453 23.713 -7.314 1.00 0.00 C ATOM 450 SG CYS B 444 -17.080 22.755 -8.800 1.00 0.00 S ATOM 0 H CYS B 444 -17.482 24.826 -5.158 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.258 22.440 -6.073 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.410 23.400 -6.895 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.544 24.771 -7.562 1.00 0.00 H new ATOM 455 N ASN B 445 -14.287 23.034 -7.507 1.00 0.00 N ATOM 456 CA ASN B 445 -12.959 23.286 -8.033 1.00 0.00 C ATOM 457 C ASN B 445 -13.048 23.777 -9.476 1.00 0.00 C ATOM 458 O ASN B 445 -12.026 23.911 -10.148 1.00 0.00 O ATOM 459 CB ASN B 445 -12.161 21.984 -7.942 1.00 0.00 C ATOM 460 CG ASN B 445 -10.664 22.235 -7.904 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.210 23.357 -7.696 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.886 21.178 -8.108 1.00 0.00 N ATOM 0 H ASN B 445 -14.634 22.094 -7.695 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.459 24.063 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.460 21.438 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.401 21.351 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.871 21.282 -8.095 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.303 20.263 -8.277 1.00 0.00 H new ATOM 469 N GLN B 446 -14.267 24.043 -9.963 1.00 0.00 N ATOM 470 CA GLN B 446 -14.483 24.394 -11.361 1.00 0.00 C ATOM 471 C GLN B 446 -15.482 25.538 -11.502 1.00 0.00 C ATOM 472 O GLN B 446 -15.354 26.356 -12.412 1.00 0.00 O ATOM 473 CB GLN B 446 -15.014 23.161 -12.098 1.00 0.00 C ATOM 474 CG GLN B 446 -14.060 21.967 -11.993 1.00 0.00 C ATOM 475 CD GLN B 446 -12.784 22.166 -12.806 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.641 23.143 -13.537 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.844 21.235 -12.680 1.00 0.00 N ATOM 0 H GLN B 446 -15.118 24.020 -9.402 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.536 24.722 -11.789 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.985 22.885 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.171 23.407 -13.148 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.799 21.805 -10.947 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.570 21.067 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.996 20.437 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.970 21.319 -13.199 1.00 0.00 H new ATOM 486 N CYS B 447 -16.473 25.599 -10.607 1.00 0.00 N ATOM 487 CA CYS B 447 -17.512 26.624 -10.648 1.00 0.00 C ATOM 488 C CYS B 447 -17.717 27.283 -9.282 1.00 0.00 C ATOM 489 O CYS B 447 -18.614 28.116 -9.130 1.00 0.00 O ATOM 490 CB CYS B 447 -18.807 26.010 -11.181 1.00 0.00 C ATOM 491 SG CYS B 447 -19.295 24.625 -10.128 1.00 0.00 S ATOM 0 H CYS B 447 -16.574 24.939 -9.836 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.194 27.418 -11.323 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.597 26.761 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.665 25.669 -12.206 1.00 0.00 H new ATOM 496 N LYS B 448 -16.892 26.919 -8.293 1.00 0.00 N ATOM 497 CA LYS B 448 -16.904 27.515 -6.961 1.00 0.00 C ATOM 498 C LYS B 448 -18.262 27.406 -6.259 1.00 0.00 C ATOM 499 O LYS B 448 -18.517 28.132 -5.298 1.00 0.00 O ATOM 500 CB LYS B 448 -16.402 28.964 -7.019 1.00 0.00 C ATOM 501 CG LYS B 448 -14.978 29.016 -7.573 1.00 0.00 C ATOM 502 CD LYS B 448 -14.488 30.463 -7.589 1.00 0.00 C ATOM 503 CE LYS B 448 -13.082 30.552 -8.189 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.100 29.805 -7.380 1.00 0.00 N ATOM 0 H LYS B 448 -16.187 26.190 -8.402 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.216 26.935 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.065 29.560 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.427 29.404 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.316 28.404 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -14.954 28.602 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -15.176 31.079 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.482 30.861 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -13.093 30.157 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -12.780 31.597 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.138 30.048 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -12.214 30.056 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -12.255 28.784 -7.501 1.00 0.00 H new ATOM 518 N ALA B 449 -19.142 26.514 -6.728 1.00 0.00 N ATOM 519 CA ALA B 449 -20.413 26.275 -6.065 1.00 0.00 C ATOM 520 C ALA B 449 -20.157 25.656 -4.687 1.00 0.00 C ATOM 521 O ALA B 449 -19.250 24.838 -4.544 1.00 0.00 O ATOM 522 CB ALA B 449 -21.270 25.349 -6.930 1.00 0.00 C ATOM 0 H ALA B 449 -18.990 25.950 -7.564 1.00 0.00 H new ATOM 0 HA ALA B 449 -20.948 27.215 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.224 25.168 -6.435 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.447 25.816 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.751 24.402 -7.074 1.00 0.00 H new ATOM 528 N PRO B 450 -20.944 26.030 -3.668 1.00 0.00 N ATOM 529 CA PRO B 450 -20.752 25.564 -2.305 1.00 0.00 C ATOM 530 C PRO B 450 -21.108 24.088 -2.171 1.00 0.00 C ATOM 531 O PRO B 450 -21.999 23.595 -2.861 1.00 0.00 O ATOM 532 CB PRO B 450 -21.674 26.431 -1.449 1.00 0.00 C ATOM 533 CG PRO B 450 -22.775 26.870 -2.418 1.00 0.00 C ATOM 534 CD PRO B 450 -22.066 26.940 -3.768 1.00 0.00 C ATOM 0 HA PRO B 450 -19.711 25.650 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.083 25.870 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.144 27.288 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.600 26.157 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.194 27.836 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.735 26.649 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.730 27.955 -3.982 1.00 0.00 H new ATOM 542 N LYS B 451 -20.408 23.384 -1.273 1.00 0.00 N ATOM 543 CA LYS B 451 -20.711 21.992 -0.967 1.00 0.00 C ATOM 544 C LYS B 451 -22.075 21.879 -0.274 1.00 0.00 C ATOM 545 O LYS B 451 -22.942 21.165 -0.779 1.00 0.00 O ATOM 546 CB LYS B 451 -19.579 21.387 -0.127 1.00 0.00 C ATOM 547 CG LYS B 451 -19.895 19.967 0.353 1.00 0.00 C ATOM 548 CD LYS B 451 -19.224 19.691 1.704 1.00 0.00 C ATOM 549 CE LYS B 451 -17.743 20.061 1.645 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.067 19.782 2.926 1.00 0.00 N ATOM 0 H LYS B 451 -19.623 23.765 -0.745 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.778 21.420 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.662 21.372 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.392 22.025 0.737 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.974 19.840 0.444 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.550 19.243 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.718 20.265 2.488 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.333 18.638 1.964 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.258 19.500 0.846 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.640 21.118 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.502 20.608 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.779 19.584 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.443 18.957 2.817 1.00 0.00 H new ATOM 564 N PRO B 452 -22.288 22.564 0.866 1.00 0.00 N ATOM 565 CA PRO B 452 -23.586 22.630 1.513 1.00 0.00 C ATOM 566 C PRO B 452 -24.572 23.426 0.657 1.00 0.00 C ATOM 567 O PRO B 452 -24.177 24.125 -0.276 1.00 0.00 O ATOM 568 CB PRO B 452 -23.345 23.325 2.854 1.00 0.00 C ATOM 569 CG PRO B 452 -22.090 24.161 2.615 1.00 0.00 C ATOM 570 CD PRO B 452 -21.302 23.321 1.614 1.00 0.00 C ATOM 0 HA PRO B 452 -24.020 21.639 1.650 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.192 23.949 3.138 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.197 22.603 3.657 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.331 25.145 2.214 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.530 24.321 3.537 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.712 23.954 0.952 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.605 22.657 2.125 1.00 0.00 H new ATOM 578 N ASP B 453 -25.861 23.317 0.984 1.00 0.00 N ATOM 579 CA ASP B 453 -26.915 24.022 0.266 1.00 0.00 C ATOM 580 C ASP B 453 -26.997 25.505 0.639 1.00 0.00 C ATOM 581 O ASP B 453 -27.793 26.241 0.059 1.00 0.00 O ATOM 582 CB ASP B 453 -28.257 23.325 0.496 1.00 0.00 C ATOM 583 CG ASP B 453 -28.317 21.946 -0.162 1.00 0.00 C ATOM 584 OD1 ASP B 453 -27.354 21.585 -0.874 1.00 0.00 O ATOM 585 OD2 ASP B 453 -29.344 21.259 0.056 1.00 0.00 O ATOM 0 H ASP B 453 -26.199 22.738 1.753 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.667 23.987 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.431 23.222 1.567 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -29.060 23.948 0.101 1.00 0.00 H new ATOM 590 N GLY B 454 -26.180 25.944 1.604 1.00 0.00 N ATOM 591 CA GLY B 454 -26.163 27.329 2.061 1.00 0.00 C ATOM 592 C GLY B 454 -25.463 28.226 1.046 1.00 0.00 C ATOM 593 O GLY B 454 -24.241 28.039 0.862 1.00 0.00 O ATOM 0 H GLY B 454 -25.512 25.343 2.088 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -27.184 27.677 2.218 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -25.653 27.393 3.022 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.367 18.699 -0.157 1.00 0.00 O ATOM 599 C5' U A 1 -0.683 18.098 -0.883 1.00 0.00 C ATOM 600 C4' U A 1 -1.789 17.663 0.080 1.00 0.00 C ATOM 601 O4' U A 1 -2.460 18.803 0.595 1.00 0.00 O ATOM 602 C3' U A 1 -2.843 16.860 -0.675 1.00 0.00 C ATOM 603 O3' U A 1 -3.591 16.076 0.229 1.00 0.00 O ATOM 604 C2' U A 1 -3.696 17.972 -1.251 1.00 0.00 C ATOM 605 O2' U A 1 -5.018 17.533 -1.469 1.00 0.00 O ATOM 606 C1' U A 1 -3.621 19.067 -0.182 1.00 0.00 C ATOM 607 N1 U A 1 -3.594 20.429 -0.781 1.00 0.00 N ATOM 608 C2 U A 1 -3.076 21.474 -0.020 1.00 0.00 C ATOM 609 O2 U A 1 -2.670 21.328 1.135 1.00 0.00 O ATOM 610 N3 U A 1 -3.033 22.716 -0.629 1.00 0.00 N ATOM 611 C4 U A 1 -3.489 23.016 -1.901 1.00 0.00 C ATOM 612 O4 U A 1 -3.399 24.158 -2.345 1.00 0.00 O ATOM 613 C5 U A 1 -4.049 21.887 -2.605 1.00 0.00 C ATOM 614 C6 U A 1 -4.091 20.660 -2.038 1.00 0.00 C ATOM 0 H5' U A 1 -0.309 17.237 -1.437 1.00 0.00 H new ATOM 0 H5'' U A 1 -1.080 18.800 -1.616 1.00 0.00 H new ATOM 0 H4' U A 1 -1.329 17.077 0.876 1.00 0.00 H new ATOM 0 H3' U A 1 -2.448 16.167 -1.418 1.00 0.00 H new ATOM 0 H2' U A 1 -3.352 18.321 -2.225 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.616 18.308 -1.520 1.00 0.00 H new ATOM 0 HO5' U A 1 1.075 18.976 -0.775 1.00 0.00 H new ATOM 0 H1' U A 1 -4.512 19.050 0.446 1.00 0.00 H new ATOM 0 H3 U A 1 -2.628 23.481 -0.090 1.00 0.00 H new ATOM 0 H5 U A 1 -4.441 22.025 -3.602 1.00 0.00 H new ATOM 0 H6 U A 1 -4.527 19.840 -2.590 1.00 0.00 H new ATOM 625 P G A 2 -3.114 14.596 0.633 1.00 0.00 P ATOM 626 OP1 G A 2 -3.978 14.116 1.736 1.00 0.00 O ATOM 627 OP2 G A 2 -1.644 14.603 0.803 1.00 0.00 O ATOM 628 O5' G A 2 -3.480 13.755 -0.694 1.00 0.00 O ATOM 629 C5' G A 2 -2.470 13.278 -1.558 1.00 0.00 C ATOM 630 C4' G A 2 -3.055 12.997 -2.944 1.00 0.00 C ATOM 631 O4' G A 2 -4.236 12.208 -2.869 1.00 0.00 O ATOM 632 C3' G A 2 -3.386 14.289 -3.684 1.00 0.00 C ATOM 633 O3' G A 2 -2.288 14.709 -4.473 1.00 0.00 O ATOM 634 C2' G A 2 -4.578 13.869 -4.529 1.00 0.00 C ATOM 635 O2' G A 2 -4.152 13.277 -5.741 1.00 0.00 O ATOM 636 C1' G A 2 -5.246 12.811 -3.661 1.00 0.00 C ATOM 637 N9 G A 2 -6.258 13.434 -2.787 1.00 0.00 N ATOM 638 C8 G A 2 -6.110 14.442 -1.869 1.00 0.00 C ATOM 639 N7 G A 2 -7.197 14.732 -1.215 1.00 0.00 N ATOM 640 C5 G A 2 -8.151 13.877 -1.759 1.00 0.00 C ATOM 641 C6 G A 2 -9.534 13.719 -1.443 1.00 0.00 C ATOM 642 O6 G A 2 -10.185 14.284 -0.566 1.00 0.00 O ATOM 643 N1 G A 2 -10.150 12.799 -2.275 1.00 0.00 N ATOM 644 C2 G A 2 -9.517 12.108 -3.279 1.00 0.00 C ATOM 645 N2 G A 2 -10.281 11.315 -4.025 1.00 0.00 N ATOM 646 N3 G A 2 -8.209 12.190 -3.537 1.00 0.00 N ATOM 647 C4 G A 2 -7.591 13.105 -2.747 1.00 0.00 C ATOM 0 H5' G A 2 -2.030 12.369 -1.149 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.669 14.013 -1.635 1.00 0.00 H new ATOM 0 H4' G A 2 -2.288 12.448 -3.490 1.00 0.00 H new ATOM 0 H3' G A 2 -3.601 15.140 -3.038 1.00 0.00 H new ATOM 0 H2' G A 2 -5.224 14.705 -4.798 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.253 13.597 -5.963 1.00 0.00 H new ATOM 0 H1' G A 2 -5.745 12.069 -4.284 1.00 0.00 H new ATOM 0 H8 G A 2 -5.172 14.951 -1.703 1.00 0.00 H new ATOM 0 H1 G A 2 -11.144 12.622 -2.132 1.00 0.00 H new ATOM 0 H21 G A 2 -9.867 10.776 -4.786 1.00 0.00 H new ATOM 0 H22 G A 2 -11.281 11.245 -3.836 1.00 0.00 H new ATOM 659 P G A 3 -2.240 16.168 -5.156 1.00 0.00 P ATOM 660 OP1 G A 3 -0.815 16.521 -5.336 1.00 0.00 O ATOM 661 OP2 G A 3 -3.128 17.074 -4.392 1.00 0.00 O ATOM 662 O5' G A 3 -2.878 15.947 -6.620 1.00 0.00 O ATOM 663 C5' G A 3 -4.224 16.271 -6.886 1.00 0.00 C ATOM 664 C4' G A 3 -4.526 16.065 -8.369 1.00 0.00 C ATOM 665 O4' G A 3 -5.926 16.118 -8.564 1.00 0.00 O ATOM 666 C3' G A 3 -3.934 17.189 -9.207 1.00 0.00 C ATOM 667 O3' G A 3 -3.883 16.741 -10.552 1.00 0.00 O ATOM 668 C2' G A 3 -4.989 18.265 -8.975 1.00 0.00 C ATOM 669 O2' G A 3 -5.021 19.239 -9.996 1.00 0.00 O ATOM 670 C1' G A 3 -6.280 17.443 -8.931 1.00 0.00 C ATOM 671 N9 G A 3 -7.277 17.995 -7.990 1.00 0.00 N ATOM 672 C8 G A 3 -7.172 19.057 -7.125 1.00 0.00 C ATOM 673 N7 G A 3 -8.256 19.295 -6.441 1.00 0.00 N ATOM 674 C5 G A 3 -9.151 18.324 -6.892 1.00 0.00 C ATOM 675 C6 G A 3 -10.504 18.086 -6.526 1.00 0.00 C ATOM 676 O6 G A 3 -11.190 18.696 -5.709 1.00 0.00 O ATOM 677 N1 G A 3 -11.052 17.020 -7.219 1.00 0.00 N ATOM 678 C2 G A 3 -10.382 16.264 -8.151 1.00 0.00 C ATOM 679 N2 G A 3 -11.064 15.265 -8.712 1.00 0.00 N ATOM 680 N3 G A 3 -9.112 16.484 -8.507 1.00 0.00 N ATOM 681 C4 G A 3 -8.560 17.525 -7.836 1.00 0.00 C ATOM 0 H5' G A 3 -4.420 17.306 -6.607 1.00 0.00 H new ATOM 0 H5'' G A 3 -4.883 15.648 -6.282 1.00 0.00 H new ATOM 0 H4' G A 3 -4.102 15.106 -8.666 1.00 0.00 H new ATOM 0 H3' G A 3 -2.925 17.526 -8.970 1.00 0.00 H new ATOM 0 H2' G A 3 -4.804 18.852 -8.075 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.113 19.391 -10.331 1.00 0.00 H new ATOM 0 H1' G A 3 -6.753 17.469 -9.912 1.00 0.00 H new ATOM 0 H8 G A 3 -6.271 19.643 -7.021 1.00 0.00 H new ATOM 0 H1 G A 3 -12.023 16.778 -7.024 1.00 0.00 H new ATOM 0 H21 G A 3 -10.617 14.671 -9.410 1.00 0.00 H new ATOM 0 H22 G A 3 -12.033 15.095 -8.443 1.00 0.00 H new ATOM 693 P U A 4 -2.929 17.441 -11.645 1.00 0.00 P ATOM 694 OP1 U A 4 -1.796 16.526 -11.918 1.00 0.00 O ATOM 695 OP2 U A 4 -2.655 18.836 -11.227 1.00 0.00 O ATOM 696 O5' U A 4 -3.877 17.474 -12.949 1.00 0.00 O ATOM 697 C5' U A 4 -4.828 18.501 -13.119 1.00 0.00 C ATOM 698 C4' U A 4 -5.841 18.107 -14.188 1.00 0.00 C ATOM 699 O4' U A 4 -6.768 17.159 -13.665 1.00 0.00 O ATOM 700 C3' U A 4 -6.641 19.331 -14.617 1.00 0.00 C ATOM 701 O3' U A 4 -6.041 19.997 -15.712 1.00 0.00 O ATOM 702 C2' U A 4 -7.993 18.730 -14.963 1.00 0.00 C ATOM 703 O2' U A 4 -8.014 18.270 -16.301 1.00 0.00 O ATOM 704 C1' U A 4 -8.090 17.540 -14.020 1.00 0.00 C ATOM 705 N1 U A 4 -8.864 17.915 -12.813 1.00 0.00 N ATOM 706 C2 U A 4 -10.074 17.267 -12.588 1.00 0.00 C ATOM 707 O2 U A 4 -10.488 16.371 -13.323 1.00 0.00 O ATOM 708 N3 U A 4 -10.800 17.681 -11.483 1.00 0.00 N ATOM 709 C4 U A 4 -10.423 18.664 -10.585 1.00 0.00 C ATOM 710 O4 U A 4 -11.154 18.969 -9.647 1.00 0.00 O ATOM 711 C5 U A 4 -9.138 19.263 -10.875 1.00 0.00 C ATOM 712 C6 U A 4 -8.412 18.880 -11.951 1.00 0.00 C ATOM 0 H5' U A 4 -4.328 19.426 -13.405 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.339 18.693 -12.176 1.00 0.00 H new ATOM 0 H4' U A 4 -5.294 17.683 -15.030 1.00 0.00 H new ATOM 0 H3' U A 4 -6.704 20.105 -13.852 1.00 0.00 H new ATOM 0 H2' U A 4 -8.809 19.446 -14.864 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.062 19.037 -16.910 1.00 0.00 H new ATOM 0 H1' U A 4 -8.602 16.707 -14.502 1.00 0.00 H new ATOM 0 H3 U A 4 -11.694 17.219 -11.316 1.00 0.00 H new ATOM 0 H5 U A 4 -8.751 20.030 -10.221 1.00 0.00 H new ATOM 0 H6 U A 4 -7.455 19.345 -12.135 1.00 0.00 H new ATOM 723 P G A 5 -6.662 21.363 -16.305 1.00 0.00 P ATOM 724 OP1 G A 5 -8.085 21.128 -16.642 1.00 0.00 O ATOM 725 OP2 G A 5 -5.738 21.856 -17.351 1.00 0.00 O ATOM 726 O5' G A 5 -6.594 22.391 -15.062 1.00 0.00 O ATOM 727 C5' G A 5 -7.693 22.542 -14.184 1.00 0.00 C ATOM 728 C4' G A 5 -7.348 23.559 -13.097 1.00 0.00 C ATOM 729 O4' G A 5 -7.307 24.863 -13.641 1.00 0.00 O ATOM 730 C3' G A 5 -8.446 23.591 -12.041 1.00 0.00 C ATOM 731 O3' G A 5 -7.919 24.102 -10.832 1.00 0.00 O ATOM 732 C2' G A 5 -9.457 24.550 -12.656 1.00 0.00 C ATOM 733 O2' G A 5 -10.100 25.330 -11.669 1.00 0.00 O ATOM 734 C1' G A 5 -8.616 25.415 -13.602 1.00 0.00 C ATOM 735 N9 G A 5 -9.230 25.459 -14.949 1.00 0.00 N ATOM 736 C8 G A 5 -10.563 25.467 -15.273 1.00 0.00 C ATOM 737 N7 G A 5 -10.802 25.509 -16.553 1.00 0.00 N ATOM 738 C5 G A 5 -9.534 25.534 -17.131 1.00 0.00 C ATOM 739 C6 G A 5 -9.154 25.588 -18.504 1.00 0.00 C ATOM 740 O6 G A 5 -9.875 25.617 -19.498 1.00 0.00 O ATOM 741 N1 G A 5 -7.775 25.604 -18.654 1.00 0.00 N ATOM 742 C2 G A 5 -6.871 25.583 -17.621 1.00 0.00 C ATOM 743 N2 G A 5 -5.580 25.614 -17.955 1.00 0.00 N ATOM 744 N3 G A 5 -7.220 25.538 -16.333 1.00 0.00 N ATOM 745 C4 G A 5 -8.565 25.506 -16.157 1.00 0.00 C ATOM 0 H5' G A 5 -7.944 21.583 -13.731 1.00 0.00 H new ATOM 0 H5'' G A 5 -8.571 22.872 -14.739 1.00 0.00 H new ATOM 0 H4' G A 5 -6.386 23.268 -12.674 1.00 0.00 H new ATOM 0 H3' G A 5 -8.876 22.619 -11.799 1.00 0.00 H new ATOM 0 H2' G A 5 -10.264 24.031 -13.173 1.00 0.00 H new ATOM 0 HO2' G A 5 -10.761 24.781 -11.197 1.00 0.00 H new ATOM 0 HO3' G A 5 -8.544 24.754 -10.453 1.00 0.00 H new ATOM 0 H1' G A 5 -8.569 26.444 -13.245 1.00 0.00 H new ATOM 0 H8 G A 5 -11.347 25.441 -14.531 1.00 0.00 H new ATOM 0 H1 G A 5 -7.405 25.634 -19.604 1.00 0.00 H new ATOM 0 H21 G A 5 -4.865 25.600 -17.228 1.00 0.00 H new ATOM 0 H22 G A 5 -5.308 25.651 -18.937 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.808 22.732 -9.785 1.00 0.00 ZN