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= 0.0179 K(o=0.036,f=-0.94) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -133:sc= 0.0184 (180deg=0) USER MOD Single : A 1 U O2' : rot 161:sc= 0.954 USER MOD Single : A 1 U O5' : rot 180:sc= -0.195 USER MOD Single : A 2 G O2' : rot -73:sc= 0.789 USER MOD Single : A 3 G O2' : rot 149:sc= -0.155 USER MOD Single : A 4 U O2' : rot -140:sc= 0 USER MOD Single : A 5 G O2' : rot 176:sc= 0 USER MOD Single : A 5 G O3' : rot 135:sc= 0.217 USER MOD Single : B 418 SER OG : rot 180:sc= 0 USER MOD Single : B 420 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.6) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.497 K(o=-0.5,f=-6.3!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 435 ASN : amide:sc= 1.02 K(o=1,f=-2.9!) USER MOD Single : B 436 MET CE :methyl -123:sc= 0 (180deg=-0.114) USER MOD Single : B 437 ASN : amide:sc= 0.0205 K(o=0.02,f=-3.4!) USER MOD Single : B 439 SER OG : rot -77:sc= 1.22 USER MOD Single : B 445 ASN : amide:sc= 0.416 K(o=0.42,f=-2.3!) USER MOD Single : B 446 GLN : amide:sc=-0.00752 K(o=-0.0075,f=-1.3) USER MOD Single : B 448 LYS NZ :NH3+ -169:sc= -0.0126 (180deg=-0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -21.805 12.973 -15.189 1.00 0.00 N ATOM 2 CA GLY B 414 -21.097 12.415 -14.024 1.00 0.00 C ATOM 3 C GLY B 414 -19.669 12.944 -13.943 1.00 0.00 C ATOM 4 O GLY B 414 -19.151 13.492 -14.914 1.00 0.00 O ATOM 0 HA2 GLY B 414 -21.635 12.671 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -21.082 11.327 -14.091 1.00 0.00 H new ATOM 10 N PRO B 415 -19.027 12.785 -12.778 1.00 0.00 N ATOM 11 CA PRO B 415 -17.662 13.218 -12.540 1.00 0.00 C ATOM 12 C PRO B 415 -16.677 12.367 -13.339 1.00 0.00 C ATOM 13 O PRO B 415 -17.003 11.260 -13.769 1.00 0.00 O ATOM 14 CB PRO B 415 -17.437 13.042 -11.039 1.00 0.00 C ATOM 15 CG PRO B 415 -18.428 11.954 -10.640 1.00 0.00 C ATOM 16 CD PRO B 415 -19.594 12.153 -11.603 1.00 0.00 C ATOM 0 HA PRO B 415 -17.505 14.250 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -16.411 12.746 -10.822 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -17.623 13.969 -10.497 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -17.992 10.960 -10.740 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -18.743 12.061 -9.602 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -20.060 11.201 -11.857 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -20.368 12.778 -11.157 1.00 0.00 H new ATOM 24 N LEU B 416 -15.462 12.887 -13.537 1.00 0.00 N ATOM 25 CA LEU B 416 -14.417 12.165 -14.244 1.00 0.00 C ATOM 26 C LEU B 416 -13.871 11.036 -13.373 1.00 0.00 C ATOM 27 O LEU B 416 -13.882 11.130 -12.147 1.00 0.00 O ATOM 28 CB LEU B 416 -13.289 13.123 -14.634 1.00 0.00 C ATOM 29 CG LEU B 416 -13.798 14.300 -15.474 1.00 0.00 C ATOM 30 CD1 LEU B 416 -12.634 15.246 -15.760 1.00 0.00 C ATOM 31 CD2 LEU B 416 -14.374 13.807 -16.800 1.00 0.00 C ATOM 0 H LEU B 416 -15.183 13.813 -13.212 1.00 0.00 H new ATOM 0 HA LEU B 416 -14.841 11.732 -15.150 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -12.808 13.503 -13.732 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -12.529 12.579 -15.195 1.00 0.00 H new ATOM 0 HG LEU B 416 -14.582 14.815 -14.919 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -12.987 16.087 -16.357 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -12.226 15.615 -14.819 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -11.857 14.712 -16.308 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -14.730 14.658 -17.381 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -13.600 13.283 -17.361 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -15.204 13.128 -16.606 1.00 0.00 H new ATOM 43 N GLY B 417 -13.392 9.967 -14.014 1.00 0.00 N ATOM 44 CA GLY B 417 -12.788 8.844 -13.310 1.00 0.00 C ATOM 45 C GLY B 417 -11.315 9.116 -13.002 1.00 0.00 C ATOM 46 O GLY B 417 -10.677 8.339 -12.292 1.00 0.00 O ATOM 0 H GLY B 417 -13.414 9.860 -15.028 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -13.329 8.659 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -12.876 7.942 -13.915 1.00 0.00 H new ATOM 50 N SER B 418 -10.778 10.218 -13.537 1.00 0.00 N ATOM 51 CA SER B 418 -9.387 10.599 -13.329 1.00 0.00 C ATOM 52 C SER B 418 -9.186 11.171 -11.922 1.00 0.00 C ATOM 53 O SER B 418 -10.145 11.548 -11.251 1.00 0.00 O ATOM 54 CB SER B 418 -8.976 11.624 -14.384 1.00 0.00 C ATOM 55 OG SER B 418 -9.061 11.042 -15.667 1.00 0.00 O ATOM 0 H SER B 418 -11.300 10.867 -14.126 1.00 0.00 H new ATOM 0 HA SER B 418 -8.760 9.713 -13.425 1.00 0.00 H new ATOM 0 HB2 SER B 418 -9.623 12.499 -14.327 1.00 0.00 H new ATOM 0 HB3 SER B 418 -7.959 11.967 -14.196 1.00 0.00 H new ATOM 0 HG SER B 418 -8.799 11.701 -16.343 1.00 0.00 H new ATOM 61 N GLY B 419 -7.926 11.238 -11.482 1.00 0.00 N ATOM 62 CA GLY B 419 -7.578 11.764 -10.167 1.00 0.00 C ATOM 63 C GLY B 419 -7.886 10.759 -9.061 1.00 0.00 C ATOM 64 O GLY B 419 -8.422 9.682 -9.317 1.00 0.00 O ATOM 0 H GLY B 419 -7.123 10.929 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -6.518 12.017 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -8.130 12.686 -9.986 1.00 0.00 H new ATOM 68 N GLN B 420 -7.541 11.123 -7.822 1.00 0.00 N ATOM 69 CA GLN B 420 -7.783 10.274 -6.662 1.00 0.00 C ATOM 70 C GLN B 420 -9.262 10.315 -6.264 1.00 0.00 C ATOM 71 O GLN B 420 -10.017 11.166 -6.733 1.00 0.00 O ATOM 72 CB GLN B 420 -6.904 10.744 -5.499 1.00 0.00 C ATOM 73 CG GLN B 420 -5.415 10.618 -5.838 1.00 0.00 C ATOM 74 CD GLN B 420 -4.990 9.172 -6.058 1.00 0.00 C ATOM 75 OE1 GLN B 420 -5.693 8.240 -5.684 1.00 0.00 O ATOM 76 NE2 GLN B 420 -3.825 8.977 -6.665 1.00 0.00 N ATOM 0 H GLN B 420 -7.089 12.010 -7.600 1.00 0.00 H new ATOM 0 HA GLN B 420 -7.530 9.244 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.138 11.781 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.128 10.154 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.199 11.198 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -4.823 11.049 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -3.265 9.776 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -3.490 8.028 -6.833 1.00 0.00 H new ATOM 85 N GLN B 421 -9.665 9.389 -5.390 1.00 0.00 N ATOM 86 CA GLN B 421 -11.029 9.337 -4.881 1.00 0.00 C ATOM 87 C GLN B 421 -11.035 8.822 -3.442 1.00 0.00 C ATOM 88 O GLN B 421 -10.282 7.910 -3.104 1.00 0.00 O ATOM 89 CB GLN B 421 -11.883 8.457 -5.797 1.00 0.00 C ATOM 90 CG GLN B 421 -13.320 8.360 -5.265 1.00 0.00 C ATOM 91 CD GLN B 421 -14.237 7.631 -6.241 1.00 0.00 C ATOM 92 OE1 GLN B 421 -13.793 7.118 -7.267 1.00 0.00 O ATOM 93 NE2 GLN B 421 -15.529 7.582 -5.925 1.00 0.00 N ATOM 0 H GLN B 421 -9.055 8.660 -5.020 1.00 0.00 H new ATOM 0 HA GLN B 421 -11.457 10.339 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -11.890 8.871 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -11.446 7.461 -5.864 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -13.319 7.838 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -13.708 9.362 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.861 8.019 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.187 7.107 -6.543 1.00 0.00 H new ATOM 102 N ARG B 422 -11.890 9.412 -2.594 1.00 0.00 N ATOM 103 CA ARG B 422 -12.027 9.027 -1.191 1.00 0.00 C ATOM 104 C ARG B 422 -13.492 9.124 -0.764 1.00 0.00 C ATOM 105 O ARG B 422 -14.270 9.854 -1.374 1.00 0.00 O ATOM 106 CB ARG B 422 -11.144 9.923 -0.308 1.00 0.00 C ATOM 107 CG ARG B 422 -9.658 9.733 -0.617 1.00 0.00 C ATOM 108 CD ARG B 422 -8.822 10.621 0.308 1.00 0.00 C ATOM 109 NE ARG B 422 -7.424 10.673 -0.130 1.00 0.00 N ATOM 110 CZ ARG B 422 -6.403 10.947 0.684 1.00 0.00 C ATOM 111 NH1 ARG B 422 -6.610 11.237 1.965 1.00 0.00 N ATOM 112 NH2 ARG B 422 -5.162 10.927 0.213 1.00 0.00 N ATOM 0 H ARG B 422 -12.508 10.175 -2.869 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.698 7.995 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.417 10.967 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -11.329 9.696 0.742 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.379 8.688 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.458 9.985 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -9.239 11.628 0.324 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.873 10.239 1.327 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.220 10.489 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -7.559 11.252 2.338 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.819 11.444 2.575 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.992 10.703 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -4.378 11.136 0.832 1.00 0.00 H new ATOM 126 N ALA B 423 -13.863 8.387 0.285 1.00 0.00 N ATOM 127 CA ALA B 423 -15.246 8.305 0.738 1.00 0.00 C ATOM 128 C ALA B 423 -15.724 9.612 1.381 1.00 0.00 C ATOM 129 O ALA B 423 -16.889 9.715 1.768 1.00 0.00 O ATOM 130 CB ALA B 423 -15.378 7.139 1.719 1.00 0.00 C ATOM 0 H ALA B 423 -13.212 7.833 0.841 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.883 8.136 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -16.410 7.069 2.064 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -15.098 6.211 1.221 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -14.720 7.305 2.572 1.00 0.00 H new ATOM 136 N GLY B 424 -14.837 10.605 1.498 1.00 0.00 N ATOM 137 CA GLY B 424 -15.181 11.901 2.067 1.00 0.00 C ATOM 138 C GLY B 424 -15.449 12.926 0.966 1.00 0.00 C ATOM 139 O GLY B 424 -15.903 14.033 1.247 1.00 0.00 O ATOM 0 H GLY B 424 -13.864 10.528 1.200 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.063 11.802 2.700 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -14.369 12.250 2.704 1.00 0.00 H new ATOM 143 N ASP B 425 -15.167 12.554 -0.285 1.00 0.00 N ATOM 144 CA ASP B 425 -15.347 13.430 -1.433 1.00 0.00 C ATOM 145 C ASP B 425 -16.812 13.775 -1.666 1.00 0.00 C ATOM 146 O ASP B 425 -17.706 13.147 -1.096 1.00 0.00 O ATOM 147 CB ASP B 425 -14.761 12.765 -2.677 1.00 0.00 C ATOM 148 CG ASP B 425 -13.255 12.554 -2.565 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.702 11.926 -3.493 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.669 13.018 -1.560 1.00 0.00 O ATOM 0 H ASP B 425 -14.806 11.631 -0.526 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.824 14.364 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.249 11.804 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -14.975 13.381 -3.551 1.00 0.00 H new ATOM 155 N TRP B 426 -17.062 14.781 -2.507 1.00 0.00 N ATOM 156 CA TRP B 426 -18.414 15.217 -2.803 1.00 0.00 C ATOM 157 C TRP B 426 -18.508 15.781 -4.216 1.00 0.00 C ATOM 158 O TRP B 426 -17.588 16.452 -4.678 1.00 0.00 O ATOM 159 CB TRP B 426 -18.844 16.245 -1.755 1.00 0.00 C ATOM 160 CG TRP B 426 -18.005 17.486 -1.679 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.890 17.634 -0.930 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.157 18.741 -2.404 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.362 18.894 -1.121 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.101 19.620 -2.029 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.102 19.246 -3.310 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -16.990 20.922 -2.532 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -18.998 20.543 -3.829 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.946 21.384 -3.442 1.00 0.00 C ATOM 0 H TRP B 426 -16.336 15.307 -2.994 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.091 14.364 -2.759 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.874 16.537 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.838 15.764 -0.777 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.474 16.879 -0.279 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.528 19.244 -0.649 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -19.928 18.621 -3.614 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.177 21.561 -2.221 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.735 20.898 -4.534 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.874 22.384 -3.844 1.00 0.00 H new ATOM 179 N LYS B 427 -19.624 15.504 -4.900 1.00 0.00 N ATOM 180 CA LYS B 427 -19.825 15.960 -6.269 1.00 0.00 C ATOM 181 C LYS B 427 -20.420 17.366 -6.277 1.00 0.00 C ATOM 182 O LYS B 427 -21.223 17.707 -5.409 1.00 0.00 O ATOM 183 CB LYS B 427 -20.744 14.991 -7.014 1.00 0.00 C ATOM 184 CG LYS B 427 -20.672 15.261 -8.517 1.00 0.00 C ATOM 185 CD LYS B 427 -21.805 14.559 -9.260 1.00 0.00 C ATOM 186 CE LYS B 427 -23.132 15.258 -8.956 1.00 0.00 C ATOM 187 NZ LYS B 427 -24.252 14.584 -9.634 1.00 0.00 N ATOM 0 H LYS B 427 -20.401 14.964 -4.521 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.860 15.989 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.449 13.963 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.770 15.106 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.725 16.334 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.713 14.919 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.613 14.573 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.857 13.513 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.305 15.265 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -23.081 16.298 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -25.140 15.077 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -24.095 14.599 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -24.313 13.598 -9.308 1.00 0.00 H new ATOM 201 N CYS B 428 -20.023 18.176 -7.259 1.00 0.00 N ATOM 202 CA CYS B 428 -20.527 19.523 -7.426 1.00 0.00 C ATOM 203 C CYS B 428 -22.035 19.483 -7.690 1.00 0.00 C ATOM 204 O CYS B 428 -22.486 18.723 -8.550 1.00 0.00 O ATOM 205 CB CYS B 428 -19.777 20.177 -8.583 1.00 0.00 C ATOM 206 SG CYS B 428 -20.271 21.906 -8.705 1.00 0.00 S ATOM 0 H CYS B 428 -19.336 17.905 -7.963 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.366 20.109 -6.521 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.701 20.104 -8.423 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.997 19.657 -9.515 1.00 0.00 H new ATOM 211 N PRO B 429 -22.827 20.288 -6.965 1.00 0.00 N ATOM 212 CA PRO B 429 -24.272 20.328 -7.093 1.00 0.00 C ATOM 213 C PRO B 429 -24.709 21.013 -8.392 1.00 0.00 C ATOM 214 O PRO B 429 -25.876 20.923 -8.771 1.00 0.00 O ATOM 215 CB PRO B 429 -24.759 21.117 -5.880 1.00 0.00 C ATOM 216 CG PRO B 429 -23.581 22.033 -5.543 1.00 0.00 C ATOM 217 CD PRO B 429 -22.360 21.208 -5.942 1.00 0.00 C ATOM 0 HA PRO B 429 -24.692 19.323 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.658 21.689 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -25.005 20.458 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.630 22.970 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.563 22.290 -4.484 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.563 21.847 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.954 20.669 -5.086 1.00 0.00 H new ATOM 225 N ASN B 430 -23.783 21.698 -9.070 1.00 0.00 N ATOM 226 CA ASN B 430 -24.090 22.385 -10.316 1.00 0.00 C ATOM 227 C ASN B 430 -24.292 21.335 -11.417 1.00 0.00 C ATOM 228 O ASN B 430 -23.409 20.503 -11.633 1.00 0.00 O ATOM 229 CB ASN B 430 -22.914 23.307 -10.668 1.00 0.00 C ATOM 230 CG ASN B 430 -23.349 24.636 -11.267 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.511 24.833 -11.607 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.400 25.555 -11.396 1.00 0.00 N ATOM 0 H ASN B 430 -22.812 21.788 -8.770 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.997 22.981 -10.219 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.328 23.496 -9.769 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.259 22.796 -11.373 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.625 26.468 -11.791 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.446 25.348 -11.100 1.00 0.00 H new ATOM 239 N PRO B 431 -25.437 21.352 -12.117 1.00 0.00 N ATOM 240 CA PRO B 431 -25.705 20.429 -13.207 1.00 0.00 C ATOM 241 C PRO B 431 -24.779 20.709 -14.391 1.00 0.00 C ATOM 242 O PRO B 431 -24.621 19.863 -15.269 1.00 0.00 O ATOM 243 CB PRO B 431 -27.169 20.652 -13.581 1.00 0.00 C ATOM 244 CG PRO B 431 -27.468 22.075 -13.108 1.00 0.00 C ATOM 245 CD PRO B 431 -26.550 22.256 -11.903 1.00 0.00 C ATOM 0 HA PRO B 431 -25.524 19.394 -12.918 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.325 20.549 -14.655 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.819 19.926 -13.093 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.257 22.808 -13.886 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.516 22.194 -12.834 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.207 23.288 -11.824 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.072 22.022 -10.975 1.00 0.00 H new ATOM 253 N THR B 432 -24.164 21.897 -14.413 1.00 0.00 N ATOM 254 CA THR B 432 -23.199 22.274 -15.436 1.00 0.00 C ATOM 255 C THR B 432 -21.757 21.937 -15.052 1.00 0.00 C ATOM 256 O THR B 432 -20.833 22.214 -15.818 1.00 0.00 O ATOM 257 CB THR B 432 -23.359 23.751 -15.826 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.654 24.555 -14.910 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.827 24.179 -15.833 1.00 0.00 C ATOM 0 H THR B 432 -24.327 22.623 -13.715 1.00 0.00 H new ATOM 0 HA THR B 432 -23.420 21.668 -16.315 1.00 0.00 H new ATOM 0 HB THR B 432 -22.961 23.875 -16.833 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.753 25.498 -15.158 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.898 25.230 -16.114 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.379 23.573 -16.552 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.251 24.039 -14.839 1.00 0.00 H new ATOM 267 N CYS B 433 -21.567 21.346 -13.866 1.00 0.00 N ATOM 268 CA CYS B 433 -20.247 21.033 -13.340 1.00 0.00 C ATOM 269 C CYS B 433 -20.109 19.529 -13.110 1.00 0.00 C ATOM 270 O CYS B 433 -19.344 18.858 -13.803 1.00 0.00 O ATOM 271 CB CYS B 433 -20.051 21.809 -12.039 1.00 0.00 C ATOM 272 SG CYS B 433 -18.371 21.552 -11.430 1.00 0.00 S ATOM 0 H CYS B 433 -22.331 21.074 -13.248 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.478 21.325 -14.055 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.230 22.871 -12.206 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.774 21.478 -11.293 1.00 0.00 H new ATOM 277 N GLU B 434 -20.855 19.010 -12.129 1.00 0.00 N ATOM 278 CA GLU B 434 -20.834 17.604 -11.737 1.00 0.00 C ATOM 279 C GLU B 434 -19.423 17.086 -11.446 1.00 0.00 C ATOM 280 O GLU B 434 -19.212 15.877 -11.390 1.00 0.00 O ATOM 281 CB GLU B 434 -21.543 16.747 -12.791 1.00 0.00 C ATOM 282 CG GLU B 434 -23.024 17.120 -12.867 1.00 0.00 C ATOM 283 CD GLU B 434 -23.792 16.177 -13.798 1.00 0.00 C ATOM 284 OE1 GLU B 434 -23.133 15.328 -14.440 1.00 0.00 O ATOM 285 OE2 GLU B 434 -25.033 16.319 -13.855 1.00 0.00 O ATOM 0 H GLU B 434 -21.503 19.571 -11.576 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.379 17.524 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -21.074 16.892 -13.764 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.439 15.691 -12.541 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.461 17.084 -11.869 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.124 18.146 -13.222 1.00 0.00 H new ATOM 292 N ASN B 435 -18.451 17.985 -11.260 1.00 0.00 N ATOM 293 CA ASN B 435 -17.088 17.595 -10.927 1.00 0.00 C ATOM 294 C ASN B 435 -17.029 17.049 -9.503 1.00 0.00 C ATOM 295 O ASN B 435 -17.717 17.556 -8.617 1.00 0.00 O ATOM 296 CB ASN B 435 -16.167 18.812 -11.059 1.00 0.00 C ATOM 297 CG ASN B 435 -14.729 18.459 -10.700 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.175 17.492 -11.217 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.121 19.242 -9.818 1.00 0.00 N ATOM 0 H ASN B 435 -18.590 18.993 -11.336 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.760 16.814 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.207 19.192 -12.080 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.521 19.611 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.157 19.051 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.618 20.035 -9.413 1.00 0.00 H new ATOM 306 N MET B 436 -16.212 16.018 -9.271 1.00 0.00 N ATOM 307 CA MET B 436 -15.985 15.517 -7.926 1.00 0.00 C ATOM 308 C MET B 436 -14.904 16.343 -7.240 1.00 0.00 C ATOM 309 O MET B 436 -13.883 16.665 -7.846 1.00 0.00 O ATOM 310 CB MET B 436 -15.634 14.032 -7.966 1.00 0.00 C ATOM 311 CG MET B 436 -15.254 13.547 -6.566 1.00 0.00 C ATOM 312 SD MET B 436 -15.766 11.851 -6.204 1.00 0.00 S ATOM 313 CE MET B 436 -17.533 12.167 -5.989 1.00 0.00 C ATOM 0 H MET B 436 -15.701 15.520 -10.000 1.00 0.00 H new ATOM 0 HA MET B 436 -16.899 15.617 -7.341 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.482 13.459 -8.341 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.807 13.864 -8.655 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.173 13.621 -6.449 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.700 14.214 -5.829 1.00 0.00 H new ATOM 0 HE1 MET B 436 -17.846 11.828 -5.001 1.00 0.00 H new ATOM 0 HE2 MET B 436 -17.726 13.236 -6.084 1.00 0.00 H new ATOM 0 HE3 MET B 436 -18.095 11.628 -6.752 1.00 0.00 H new ATOM 323 N ASN B 437 -15.136 16.684 -5.973 1.00 0.00 N ATOM 324 CA ASN B 437 -14.268 17.565 -5.215 1.00 0.00 C ATOM 325 C ASN B 437 -13.720 16.839 -3.988 1.00 0.00 C ATOM 326 O ASN B 437 -14.400 15.991 -3.413 1.00 0.00 O ATOM 327 CB ASN B 437 -15.066 18.807 -4.814 1.00 0.00 C ATOM 328 CG ASN B 437 -15.621 19.515 -6.041 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.883 20.161 -6.779 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.926 19.399 -6.267 1.00 0.00 N ATOM 0 H ASN B 437 -15.942 16.350 -5.444 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.416 17.868 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -15.884 18.521 -4.153 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.427 19.489 -4.253 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.346 19.856 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.507 18.853 -5.631 1.00 0.00 H new ATOM 337 N PHE B 438 -12.487 17.171 -3.590 1.00 0.00 N ATOM 338 CA PHE B 438 -11.871 16.572 -2.417 1.00 0.00 C ATOM 339 C PHE B 438 -12.643 16.878 -1.132 1.00 0.00 C ATOM 340 O PHE B 438 -13.335 17.893 -1.048 1.00 0.00 O ATOM 341 CB PHE B 438 -10.383 16.949 -2.311 1.00 0.00 C ATOM 342 CG PHE B 438 -9.466 16.343 -3.359 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.224 16.945 -3.608 1.00 0.00 C ATOM 344 CD2 PHE B 438 -9.832 15.193 -4.081 1.00 0.00 C ATOM 345 CE1 PHE B 438 -7.344 16.394 -4.549 1.00 0.00 C ATOM 346 CE2 PHE B 438 -8.951 14.643 -5.027 1.00 0.00 C ATOM 347 CZ PHE B 438 -7.703 15.240 -5.253 1.00 0.00 C ATOM 0 H PHE B 438 -11.900 17.854 -4.069 1.00 0.00 H new ATOM 0 HA PHE B 438 -11.920 15.491 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.299 18.034 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.023 16.652 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -7.944 17.839 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -10.793 14.731 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -6.387 16.861 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.235 13.760 -5.580 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.020 14.809 -5.970 1.00 0.00 H new ATOM 357 N SER B 439 -12.521 16.000 -0.137 1.00 0.00 N ATOM 358 CA SER B 439 -13.323 16.061 1.077 1.00 0.00 C ATOM 359 C SER B 439 -13.078 17.349 1.863 1.00 0.00 C ATOM 360 O SER B 439 -13.957 17.796 2.594 1.00 0.00 O ATOM 361 CB SER B 439 -12.993 14.854 1.955 1.00 0.00 C ATOM 362 OG SER B 439 -11.665 14.942 2.429 1.00 0.00 O ATOM 0 H SER B 439 -11.859 15.224 -0.154 1.00 0.00 H new ATOM 0 HA SER B 439 -14.374 16.048 0.788 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.684 14.808 2.796 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.123 13.934 1.385 1.00 0.00 H new ATOM 0 HG SER B 439 -11.045 14.691 1.713 1.00 0.00 H new ATOM 368 N TRP B 440 -11.891 17.944 1.718 1.00 0.00 N ATOM 369 CA TRP B 440 -11.538 19.135 2.474 1.00 0.00 C ATOM 370 C TRP B 440 -11.970 20.422 1.777 1.00 0.00 C ATOM 371 O TRP B 440 -11.904 21.497 2.381 1.00 0.00 O ATOM 372 CB TRP B 440 -10.037 19.127 2.756 1.00 0.00 C ATOM 373 CG TRP B 440 -9.158 18.912 1.568 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.647 17.724 1.174 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.714 19.880 0.568 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.893 17.893 0.036 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.888 19.211 -0.380 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.918 21.258 0.374 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.272 19.878 -1.445 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.310 21.935 -0.696 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.488 21.250 -1.604 1.00 0.00 C ATOM 0 H TRP B 440 -11.163 17.616 1.083 1.00 0.00 H new ATOM 0 HA TRP B 440 -12.083 19.112 3.418 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.767 20.077 3.218 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.827 18.346 3.487 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.807 16.782 1.678 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.399 17.139 -0.442 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.551 21.804 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.638 19.340 -2.135 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.477 22.995 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.024 21.781 -2.422 1.00 0.00 H new ATOM 392 N ARG B 441 -12.409 20.336 0.520 1.00 0.00 N ATOM 393 CA ARG B 441 -12.914 21.504 -0.191 1.00 0.00 C ATOM 394 C ARG B 441 -14.309 21.860 0.305 1.00 0.00 C ATOM 395 O ARG B 441 -15.100 20.968 0.622 1.00 0.00 O ATOM 396 CB ARG B 441 -12.941 21.240 -1.699 1.00 0.00 C ATOM 397 CG ARG B 441 -11.523 21.135 -2.263 1.00 0.00 C ATOM 398 CD ARG B 441 -11.596 21.029 -3.790 1.00 0.00 C ATOM 399 NE ARG B 441 -10.269 20.841 -4.384 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.359 21.808 -4.520 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.614 23.049 -4.111 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.181 21.530 -5.070 1.00 0.00 N ATOM 0 H ARG B 441 -12.424 19.472 -0.022 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.247 22.344 0.004 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.486 20.318 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.478 22.044 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.938 22.008 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.018 20.262 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.240 20.194 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.052 21.932 -4.196 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.025 19.908 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.515 23.271 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -8.909 23.777 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -7.976 20.582 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.482 22.265 -5.177 1.00 0.00 H new ATOM 416 N ASN B 442 -14.608 23.158 0.371 1.00 0.00 N ATOM 417 CA ASN B 442 -15.939 23.640 0.728 1.00 0.00 C ATOM 418 C ASN B 442 -16.638 24.227 -0.496 1.00 0.00 C ATOM 419 O ASN B 442 -17.813 24.585 -0.424 1.00 0.00 O ATOM 420 CB ASN B 442 -15.826 24.673 1.855 1.00 0.00 C ATOM 421 CG ASN B 442 -15.296 24.049 3.140 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.493 22.861 3.388 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.620 24.850 3.960 1.00 0.00 N ATOM 0 H ASN B 442 -13.936 23.901 0.179 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.543 22.806 1.084 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.164 25.481 1.543 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.804 25.116 2.042 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.242 24.484 4.834 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.480 25.830 3.715 1.00 0.00 H new ATOM 430 N GLU B 443 -15.918 24.326 -1.615 1.00 0.00 N ATOM 431 CA GLU B 443 -16.460 24.846 -2.863 1.00 0.00 C ATOM 432 C GLU B 443 -15.926 24.054 -4.049 1.00 0.00 C ATOM 433 O GLU B 443 -14.892 23.387 -3.947 1.00 0.00 O ATOM 434 CB GLU B 443 -16.112 26.331 -3.020 1.00 0.00 C ATOM 435 CG GLU B 443 -16.683 27.158 -1.865 1.00 0.00 C ATOM 436 CD GLU B 443 -16.420 28.654 -2.048 1.00 0.00 C ATOM 437 OE1 GLU B 443 -16.975 29.433 -1.238 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.672 29.008 -2.989 1.00 0.00 O ATOM 0 H GLU B 443 -14.939 24.046 -1.677 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.545 24.742 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.029 26.452 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.506 26.702 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.757 26.985 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.241 26.824 -0.926 1.00 0.00 H new ATOM 445 N CYS B 444 -16.639 24.128 -5.175 1.00 0.00 N ATOM 446 CA CYS B 444 -16.300 23.389 -6.374 1.00 0.00 C ATOM 447 C CYS B 444 -14.962 23.858 -6.929 1.00 0.00 C ATOM 448 O CYS B 444 -14.617 25.037 -6.839 1.00 0.00 O ATOM 449 CB CYS B 444 -17.421 23.564 -7.398 1.00 0.00 C ATOM 450 SG CYS B 444 -17.003 22.642 -8.897 1.00 0.00 S ATOM 0 H CYS B 444 -17.472 24.709 -5.272 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.199 22.329 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.365 23.206 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.555 24.620 -7.631 1.00 0.00 H new ATOM 455 N ASN B 445 -14.208 22.926 -7.508 1.00 0.00 N ATOM 456 CA ASN B 445 -12.885 23.196 -8.038 1.00 0.00 C ATOM 457 C ASN B 445 -12.969 23.843 -9.420 1.00 0.00 C ATOM 458 O ASN B 445 -11.937 24.160 -10.010 1.00 0.00 O ATOM 459 CB ASN B 445 -12.127 21.873 -8.116 1.00 0.00 C ATOM 460 CG ASN B 445 -10.639 22.044 -7.845 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.176 23.118 -7.478 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.883 20.969 -8.026 1.00 0.00 N ATOM 0 H ASN B 445 -14.506 21.957 -7.620 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.363 23.894 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.547 21.173 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.266 21.435 -9.104 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.878 21.018 -7.859 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.307 20.093 -8.332 1.00 0.00 H new ATOM 469 N GLN B 446 -14.182 24.045 -9.953 1.00 0.00 N ATOM 470 CA GLN B 446 -14.336 24.509 -11.327 1.00 0.00 C ATOM 471 C GLN B 446 -15.366 25.626 -11.435 1.00 0.00 C ATOM 472 O GLN B 446 -15.151 26.593 -12.166 1.00 0.00 O ATOM 473 CB GLN B 446 -14.764 23.335 -12.206 1.00 0.00 C ATOM 474 CG GLN B 446 -13.819 22.146 -12.012 1.00 0.00 C ATOM 475 CD GLN B 446 -13.873 21.165 -13.178 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.641 21.335 -14.121 1.00 0.00 O ATOM 477 NE2 GLN B 446 -13.050 20.124 -13.118 1.00 0.00 N ATOM 0 H GLN B 446 -15.059 23.894 -9.455 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.378 24.907 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.784 23.041 -11.958 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.765 23.639 -13.253 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.799 22.511 -11.895 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.079 21.625 -11.090 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.425 20.013 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -13.043 19.435 -13.870 1.00 0.00 H new ATOM 486 N CYS B 447 -16.484 25.502 -10.712 1.00 0.00 N ATOM 487 CA CYS B 447 -17.553 26.496 -10.750 1.00 0.00 C ATOM 488 C CYS B 447 -17.734 27.181 -9.393 1.00 0.00 C ATOM 489 O CYS B 447 -18.608 28.036 -9.244 1.00 0.00 O ATOM 490 CB CYS B 447 -18.841 25.831 -11.232 1.00 0.00 C ATOM 491 SG CYS B 447 -19.292 24.501 -10.091 1.00 0.00 S ATOM 0 H CYS B 447 -16.669 24.715 -10.090 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.283 27.284 -11.453 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.644 26.566 -11.288 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.704 25.432 -12.237 1.00 0.00 H new ATOM 496 N LYS B 448 -16.908 26.808 -8.409 1.00 0.00 N ATOM 497 CA LYS B 448 -16.892 27.421 -7.083 1.00 0.00 C ATOM 498 C LYS B 448 -18.246 27.339 -6.376 1.00 0.00 C ATOM 499 O LYS B 448 -18.493 28.087 -5.429 1.00 0.00 O ATOM 500 CB LYS B 448 -16.376 28.863 -7.169 1.00 0.00 C ATOM 501 CG LYS B 448 -14.961 28.887 -7.752 1.00 0.00 C ATOM 502 CD LYS B 448 -14.403 30.314 -7.741 1.00 0.00 C ATOM 503 CE LYS B 448 -15.259 31.255 -8.592 1.00 0.00 C ATOM 504 NZ LYS B 448 -15.280 30.838 -10.009 1.00 0.00 N ATOM 0 H LYS B 448 -16.223 26.060 -8.517 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.202 26.846 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.043 29.459 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.376 29.316 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.311 28.231 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -14.974 28.503 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.363 30.683 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -13.380 30.309 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -16.277 31.274 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -14.870 32.270 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -15.708 31.590 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -14.308 30.663 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -15.839 29.967 -10.106 1.00 0.00 H new ATOM 518 N ALA B 449 -19.128 26.438 -6.821 1.00 0.00 N ATOM 519 CA ALA B 449 -20.398 26.223 -6.146 1.00 0.00 C ATOM 520 C ALA B 449 -20.139 25.619 -4.762 1.00 0.00 C ATOM 521 O ALA B 449 -19.230 24.809 -4.608 1.00 0.00 O ATOM 522 CB ALA B 449 -21.274 25.301 -6.996 1.00 0.00 C ATOM 0 H ALA B 449 -18.981 25.852 -7.642 1.00 0.00 H new ATOM 0 HA ALA B 449 -20.922 27.170 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.227 25.138 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.451 25.762 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.769 24.345 -7.135 1.00 0.00 H new ATOM 528 N PRO B 450 -20.923 26.005 -3.750 1.00 0.00 N ATOM 529 CA PRO B 450 -20.726 25.557 -2.385 1.00 0.00 C ATOM 530 C PRO B 450 -21.064 24.076 -2.237 1.00 0.00 C ATOM 531 O PRO B 450 -21.936 23.561 -2.936 1.00 0.00 O ATOM 532 CB PRO B 450 -21.662 26.419 -1.535 1.00 0.00 C ATOM 533 CG PRO B 450 -22.768 26.833 -2.506 1.00 0.00 C ATOM 534 CD PRO B 450 -22.052 26.908 -3.857 1.00 0.00 C ATOM 0 HA PRO B 450 -19.686 25.662 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.062 25.859 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.144 27.287 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.580 26.106 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.205 27.793 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.716 26.612 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.722 27.925 -4.070 1.00 0.00 H new ATOM 542 N LYS B 451 -20.369 23.390 -1.317 1.00 0.00 N ATOM 543 CA LYS B 451 -20.668 22.003 -0.986 1.00 0.00 C ATOM 544 C LYS B 451 -22.037 21.899 -0.302 1.00 0.00 C ATOM 545 O LYS B 451 -22.892 21.150 -0.775 1.00 0.00 O ATOM 546 CB LYS B 451 -19.535 21.430 -0.128 1.00 0.00 C ATOM 547 CG LYS B 451 -19.844 20.018 0.377 1.00 0.00 C ATOM 548 CD LYS B 451 -19.180 19.774 1.732 1.00 0.00 C ATOM 549 CE LYS B 451 -17.705 20.167 1.668 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.027 19.920 2.954 1.00 0.00 N ATOM 0 H LYS B 451 -19.591 23.785 -0.789 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.729 21.407 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.615 21.411 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.359 22.087 0.723 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.922 19.885 0.465 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.490 19.282 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.686 20.353 2.504 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.274 18.724 2.009 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.210 19.601 0.879 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.619 21.221 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.462 20.753 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.737 19.739 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.403 19.093 2.864 1.00 0.00 H new ATOM 564 N PRO B 452 -22.270 22.632 0.804 1.00 0.00 N ATOM 565 CA PRO B 452 -23.583 22.724 1.420 1.00 0.00 C ATOM 566 C PRO B 452 -24.554 23.477 0.511 1.00 0.00 C ATOM 567 O PRO B 452 -24.149 24.084 -0.478 1.00 0.00 O ATOM 568 CB PRO B 452 -23.368 23.474 2.738 1.00 0.00 C ATOM 569 CG PRO B 452 -22.108 24.298 2.487 1.00 0.00 C ATOM 570 CD PRO B 452 -21.298 23.419 1.541 1.00 0.00 C ATOM 0 HA PRO B 452 -24.020 21.740 1.589 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.220 24.109 2.980 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.236 22.786 3.573 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.341 25.264 2.038 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.567 24.499 3.412 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.693 24.024 0.866 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.613 22.776 2.094 1.00 0.00 H new ATOM 578 N ASP B 453 -25.843 23.433 0.855 1.00 0.00 N ATOM 579 CA ASP B 453 -26.887 24.094 0.083 1.00 0.00 C ATOM 580 C ASP B 453 -26.840 25.624 0.192 1.00 0.00 C ATOM 581 O ASP B 453 -27.610 26.315 -0.474 1.00 0.00 O ATOM 582 CB ASP B 453 -28.262 23.563 0.494 1.00 0.00 C ATOM 583 CG ASP B 453 -28.469 22.100 0.089 1.00 0.00 C ATOM 584 OD1 ASP B 453 -27.567 21.537 -0.569 1.00 0.00 O ATOM 585 OD2 ASP B 453 -29.536 21.558 0.450 1.00 0.00 O ATOM 0 H ASP B 453 -26.188 22.937 1.677 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.704 23.857 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.377 23.658 1.574 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -29.037 24.177 0.036 1.00 0.00 H new ATOM 590 N GLY B 454 -25.938 26.147 1.027 1.00 0.00 N ATOM 591 CA GLY B 454 -25.789 27.582 1.226 1.00 0.00 C ATOM 592 C GLY B 454 -24.677 27.870 2.228 1.00 0.00 C ATOM 593 O GLY B 454 -24.859 27.505 3.409 1.00 0.00 O ATOM 0 H GLY B 454 -25.293 25.584 1.581 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.564 28.065 0.275 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.728 28.005 1.584 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 -0.794 19.452 -0.682 1.00 0.00 O ATOM 599 C5' U A 1 -0.508 18.905 0.589 1.00 0.00 C ATOM 600 C4' U A 1 -1.791 18.489 1.316 1.00 0.00 C ATOM 601 O4' U A 1 -2.568 19.635 1.620 1.00 0.00 O ATOM 602 C3' U A 1 -2.658 17.574 0.459 1.00 0.00 C ATOM 603 O3' U A 1 -3.411 16.720 1.294 1.00 0.00 O ATOM 604 C2' U A 1 -3.574 18.554 -0.251 1.00 0.00 C ATOM 605 O2' U A 1 -4.834 17.974 -0.516 1.00 0.00 O ATOM 606 C1' U A 1 -3.681 19.720 0.732 1.00 0.00 C ATOM 607 N1 U A 1 -3.722 21.033 0.027 1.00 0.00 N ATOM 608 C2 U A 1 -3.375 22.179 0.741 1.00 0.00 C ATOM 609 O2 U A 1 -3.084 22.158 1.938 1.00 0.00 O ATOM 610 N3 U A 1 -3.378 23.368 0.034 1.00 0.00 N ATOM 611 C4 U A 1 -3.730 23.529 -1.293 1.00 0.00 C ATOM 612 O4 U A 1 -3.700 24.641 -1.821 1.00 0.00 O ATOM 613 C5 U A 1 -4.115 22.302 -1.948 1.00 0.00 C ATOM 614 C6 U A 1 -4.105 21.120 -1.289 1.00 0.00 C ATOM 0 H5' U A 1 0.032 19.637 1.189 1.00 0.00 H new ATOM 0 H5'' U A 1 0.146 18.040 0.477 1.00 0.00 H new ATOM 0 H4' U A 1 -1.484 17.962 2.219 1.00 0.00 H new ATOM 0 H3' U A 1 -2.094 16.937 -0.222 1.00 0.00 H new ATOM 0 H2' U A 1 -3.196 18.864 -1.225 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.490 18.681 -0.690 1.00 0.00 H new ATOM 0 HO5' U A 1 0.042 19.710 -1.123 1.00 0.00 H new ATOM 0 H1' U A 1 -4.614 19.654 1.291 1.00 0.00 H new ATOM 0 H3 U A 1 -3.093 24.206 0.540 1.00 0.00 H new ATOM 0 H5 U A 1 -4.417 22.328 -2.985 1.00 0.00 H new ATOM 0 H6 U A 1 -4.406 20.223 -1.811 1.00 0.00 H new ATOM 625 P G A 2 -2.850 15.277 1.722 1.00 0.00 P ATOM 626 OP1 G A 2 -3.702 14.756 2.816 1.00 0.00 O ATOM 627 OP2 G A 2 -1.383 15.376 1.908 1.00 0.00 O ATOM 628 O5' G A 2 -3.144 14.411 0.398 1.00 0.00 O ATOM 629 C5' G A 2 -2.136 14.158 -0.556 1.00 0.00 C ATOM 630 C4' G A 2 -2.778 13.772 -1.889 1.00 0.00 C ATOM 631 O4' G A 2 -3.847 12.849 -1.704 1.00 0.00 O ATOM 632 C3' G A 2 -3.346 14.970 -2.637 1.00 0.00 C ATOM 633 O3' G A 2 -2.370 15.618 -3.428 1.00 0.00 O ATOM 634 C2' G A 2 -4.420 14.306 -3.483 1.00 0.00 C ATOM 635 O2' G A 2 -3.863 13.666 -4.616 1.00 0.00 O ATOM 636 C1' G A 2 -4.943 13.249 -2.523 1.00 0.00 C ATOM 637 N9 G A 2 -6.016 13.830 -1.692 1.00 0.00 N ATOM 638 C8 G A 2 -5.943 14.798 -0.723 1.00 0.00 C ATOM 639 N7 G A 2 -7.081 15.062 -0.143 1.00 0.00 N ATOM 640 C5 G A 2 -7.984 14.237 -0.800 1.00 0.00 C ATOM 641 C6 G A 2 -9.388 14.089 -0.622 1.00 0.00 C ATOM 642 O6 G A 2 -10.113 14.620 0.216 1.00 0.00 O ATOM 643 N1 G A 2 -9.933 13.217 -1.549 1.00 0.00 N ATOM 644 C2 G A 2 -9.224 12.561 -2.524 1.00 0.00 C ATOM 645 N2 G A 2 -9.925 11.823 -3.377 1.00 0.00 N ATOM 646 N3 G A 2 -7.898 12.632 -2.653 1.00 0.00 N ATOM 647 C4 G A 2 -7.345 13.498 -1.768 1.00 0.00 C ATOM 0 H5' G A 2 -1.485 13.356 -0.208 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.512 15.042 -0.684 1.00 0.00 H new ATOM 0 H4' G A 2 -1.973 13.324 -2.472 1.00 0.00 H new ATOM 0 H3' G A 2 -3.716 15.764 -1.989 1.00 0.00 H new ATOM 0 H2' G A 2 -5.164 15.005 -3.864 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.583 14.341 -5.269 1.00 0.00 H new ATOM 0 H1' G A 2 -5.352 12.393 -3.059 1.00 0.00 H new ATOM 0 H8 G A 2 -5.022 15.299 -0.463 1.00 0.00 H new ATOM 0 H1 G A 2 -10.938 13.049 -1.504 1.00 0.00 H new ATOM 0 H21 G A 2 -9.449 11.314 -4.122 1.00 0.00 H new ATOM 0 H22 G A 2 -10.939 11.765 -3.287 1.00 0.00 H new ATOM 659 P G A 3 -2.755 16.888 -4.340 1.00 0.00 P ATOM 660 OP1 G A 3 -1.496 17.538 -4.768 1.00 0.00 O ATOM 661 OP2 G A 3 -3.789 17.680 -3.636 1.00 0.00 O ATOM 662 O5' G A 3 -3.429 16.211 -5.632 1.00 0.00 O ATOM 663 C5' G A 3 -3.801 16.997 -6.742 1.00 0.00 C ATOM 664 C4' G A 3 -4.170 16.086 -7.912 1.00 0.00 C ATOM 665 O4' G A 3 -5.544 15.733 -7.833 1.00 0.00 O ATOM 666 C3' G A 3 -3.993 16.823 -9.235 1.00 0.00 C ATOM 667 O3' G A 3 -3.838 15.852 -10.255 1.00 0.00 O ATOM 668 C2' G A 3 -5.307 17.595 -9.300 1.00 0.00 C ATOM 669 O2' G A 3 -5.700 17.929 -10.614 1.00 0.00 O ATOM 670 C1' G A 3 -6.291 16.635 -8.639 1.00 0.00 C ATOM 671 N9 G A 3 -7.288 17.367 -7.830 1.00 0.00 N ATOM 672 C8 G A 3 -7.138 18.524 -7.104 1.00 0.00 C ATOM 673 N7 G A 3 -8.225 18.915 -6.500 1.00 0.00 N ATOM 674 C5 G A 3 -9.167 17.953 -6.858 1.00 0.00 C ATOM 675 C6 G A 3 -10.541 17.844 -6.504 1.00 0.00 C ATOM 676 O6 G A 3 -11.197 18.583 -5.776 1.00 0.00 O ATOM 677 N1 G A 3 -11.140 16.746 -7.095 1.00 0.00 N ATOM 678 C2 G A 3 -10.498 15.835 -7.898 1.00 0.00 C ATOM 679 N2 G A 3 -11.233 14.828 -8.368 1.00 0.00 N ATOM 680 N3 G A 3 -9.204 15.917 -8.224 1.00 0.00 N ATOM 681 C4 G A 3 -8.602 17.003 -7.675 1.00 0.00 C ATOM 0 H5' G A 3 -2.980 17.656 -7.025 1.00 0.00 H new ATOM 0 H5'' G A 3 -4.647 17.634 -6.483 1.00 0.00 H new ATOM 0 H4' G A 3 -3.526 15.208 -7.863 1.00 0.00 H new ATOM 0 H3' G A 3 -3.131 17.481 -9.339 1.00 0.00 H new ATOM 0 H2' G A 3 -5.240 18.566 -8.809 1.00 0.00 H new ATOM 0 HO2' G A 3 -6.678 17.946 -10.668 1.00 0.00 H new ATOM 0 H1' G A 3 -6.846 16.087 -9.401 1.00 0.00 H new ATOM 0 H8 G A 3 -6.203 19.061 -7.040 1.00 0.00 H new ATOM 0 H1 G A 3 -12.135 16.602 -6.921 1.00 0.00 H new ATOM 0 H21 G A 3 -10.807 14.123 -8.969 1.00 0.00 H new ATOM 0 H22 G A 3 -12.222 14.762 -8.127 1.00 0.00 H new ATOM 693 P U A 4 -3.516 16.263 -11.778 1.00 0.00 P ATOM 694 OP1 U A 4 -2.519 15.310 -12.316 1.00 0.00 O ATOM 695 OP2 U A 4 -3.235 17.719 -11.822 1.00 0.00 O ATOM 696 O5' U A 4 -4.922 15.990 -12.512 1.00 0.00 O ATOM 697 C5' U A 4 -5.291 14.675 -12.883 1.00 0.00 C ATOM 698 C4' U A 4 -6.716 14.640 -13.438 1.00 0.00 C ATOM 699 O4' U A 4 -7.685 14.685 -12.407 1.00 0.00 O ATOM 700 C3' U A 4 -7.036 15.824 -14.340 1.00 0.00 C ATOM 701 O3' U A 4 -6.481 15.665 -15.634 1.00 0.00 O ATOM 702 C2' U A 4 -8.557 15.786 -14.334 1.00 0.00 C ATOM 703 O2' U A 4 -9.035 14.904 -15.331 1.00 0.00 O ATOM 704 C1' U A 4 -8.891 15.192 -12.964 1.00 0.00 C ATOM 705 N1 U A 4 -9.475 16.220 -12.072 1.00 0.00 N ATOM 706 C2 U A 4 -10.794 16.056 -11.674 1.00 0.00 C ATOM 707 O2 U A 4 -11.473 15.091 -12.014 1.00 0.00 O ATOM 708 N3 U A 4 -11.321 17.050 -10.865 1.00 0.00 N ATOM 709 C4 U A 4 -10.644 18.164 -10.407 1.00 0.00 C ATOM 710 O4 U A 4 -11.205 18.978 -9.672 1.00 0.00 O ATOM 711 C5 U A 4 -9.276 18.252 -10.865 1.00 0.00 C ATOM 712 C6 U A 4 -8.741 17.299 -11.666 1.00 0.00 C ATOM 0 H5' U A 4 -5.218 14.016 -12.018 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.596 14.296 -13.632 1.00 0.00 H new ATOM 0 H4' U A 4 -6.757 13.706 -13.998 1.00 0.00 H new ATOM 0 H3' U A 4 -6.622 16.777 -14.010 1.00 0.00 H new ATOM 0 H2' U A 4 -8.997 16.766 -14.519 1.00 0.00 H new ATOM 0 HO2' U A 4 -9.825 15.294 -15.761 1.00 0.00 H new ATOM 0 H1' U A 4 -9.628 14.396 -13.072 1.00 0.00 H new ATOM 0 H3 U A 4 -12.296 16.950 -10.582 1.00 0.00 H new ATOM 0 H5 U A 4 -8.669 19.093 -10.563 1.00 0.00 H new ATOM 0 H6 U A 4 -7.715 17.394 -11.990 1.00 0.00 H new ATOM 723 P G A 5 -6.614 16.827 -16.743 1.00 0.00 P ATOM 724 OP1 G A 5 -5.569 16.604 -17.770 1.00 0.00 O ATOM 725 OP2 G A 5 -6.687 18.130 -16.046 1.00 0.00 O ATOM 726 O5' G A 5 -8.050 16.537 -17.414 1.00 0.00 O ATOM 727 C5' G A 5 -8.212 15.464 -18.319 1.00 0.00 C ATOM 728 C4' G A 5 -9.658 15.422 -18.819 1.00 0.00 C ATOM 729 O4' G A 5 -9.883 16.468 -19.747 1.00 0.00 O ATOM 730 C3' G A 5 -9.912 14.131 -19.583 1.00 0.00 C ATOM 731 O3' G A 5 -11.301 13.865 -19.612 1.00 0.00 O ATOM 732 C2' G A 5 -9.393 14.480 -20.970 1.00 0.00 C ATOM 733 O2' G A 5 -10.112 13.801 -21.980 1.00 0.00 O ATOM 734 C1' G A 5 -9.582 15.997 -21.052 1.00 0.00 C ATOM 735 N9 G A 5 -8.360 16.626 -21.603 1.00 0.00 N ATOM 736 C8 G A 5 -7.588 16.202 -22.653 1.00 0.00 C ATOM 737 N7 G A 5 -6.564 16.968 -22.908 1.00 0.00 N ATOM 738 C5 G A 5 -6.666 17.984 -21.964 1.00 0.00 C ATOM 739 C6 G A 5 -5.829 19.121 -21.751 1.00 0.00 C ATOM 740 O6 G A 5 -4.815 19.448 -22.362 1.00 0.00 O ATOM 741 N1 G A 5 -6.288 19.907 -20.708 1.00 0.00 N ATOM 742 C2 G A 5 -7.413 19.647 -19.960 1.00 0.00 C ATOM 743 N2 G A 5 -7.709 20.522 -18.999 1.00 0.00 N ATOM 744 N3 G A 5 -8.202 18.585 -20.153 1.00 0.00 N ATOM 745 C4 G A 5 -7.765 17.790 -21.162 1.00 0.00 C ATOM 0 H5' G A 5 -7.959 14.523 -17.831 1.00 0.00 H new ATOM 0 H5'' G A 5 -7.530 15.580 -19.161 1.00 0.00 H new ATOM 0 H4' G A 5 -10.307 15.509 -17.948 1.00 0.00 H new ATOM 0 H3' G A 5 -9.441 13.246 -19.155 1.00 0.00 H new ATOM 0 H2' G A 5 -8.356 14.180 -21.123 1.00 0.00 H new ATOM 0 HO2' G A 5 -9.802 14.101 -22.860 1.00 0.00 H new ATOM 0 HO3' G A 5 -11.566 13.607 -20.520 1.00 0.00 H new ATOM 0 H1' G A 5 -10.402 16.258 -21.721 1.00 0.00 H new ATOM 0 H8 G A 5 -7.809 15.310 -23.221 1.00 0.00 H new ATOM 0 H1 G A 5 -5.751 20.743 -20.476 1.00 0.00 H new ATOM 0 H21 G A 5 -8.532 20.378 -18.414 1.00 0.00 H new ATOM 0 H22 G A 5 -7.112 21.335 -18.849 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.776 22.598 -9.797 1.00 0.00 ZN