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= 0.098 K(o=0.2,f=-0.91) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -130:sc= 0.102 (180deg=0) USER MOD Set 2.1: B 421 GLN : amide:sc= -0.13 K(o=-0.18,f=-1.8) USER MOD Set 2.2: B 436 MET CE :methyl 168:sc= -0.0509 (180deg=-0.321) USER MOD Set 3.1: B 435 ASN : amide:sc= 0.711 K(o=0.25,f=-3.2!) USER MOD Set 3.2: B 437 ASN : amide:sc= -0.463 K(o=0.25,f=-1.4) USER MOD Single : A 1 U O2' : rot 150:sc= 1.02 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -72:sc= 0.638 USER MOD Single : A 3 G O2' : rot 121:sc= 0.459 USER MOD Single : A 4 U O2' : rot 4:sc= 0.392 USER MOD Single : A 5 G O2' : rot 175:sc= 0 USER MOD Single : A 5 G O3' : rot 151:sc= 0.117 USER MOD Single : B 418 SER OG : rot 180:sc= 0 USER MOD Single : B 420 GLN : amide:sc= 0.852 K(o=0.85,f=-6.6!) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.285 K(o=-0.28,f=-6.2!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 439 SER OG : rot 180:sc= 0 USER MOD Single : B 445 ASN : amide:sc= -0.065 K(o=-0.065,f=-2.2!) USER MOD Single : B 446 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.3) USER MOD Single : B 448 LYS NZ :NH3+ 164:sc= -0.0595 (180deg=-0.318) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -2.945 1.861 -19.646 1.00 0.00 N ATOM 2 CA GLY B 414 -3.761 1.033 -18.740 1.00 0.00 C ATOM 3 C GLY B 414 -4.936 1.823 -18.174 1.00 0.00 C ATOM 4 O GLY B 414 -5.022 3.035 -18.374 1.00 0.00 O ATOM 0 HA2 GLY B 414 -4.132 0.160 -19.277 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -3.141 0.665 -17.923 1.00 0.00 H new ATOM 10 N PRO B 415 -5.845 1.141 -17.469 1.00 0.00 N ATOM 11 CA PRO B 415 -7.027 1.738 -16.869 1.00 0.00 C ATOM 12 C PRO B 415 -6.664 2.599 -15.657 1.00 0.00 C ATOM 13 O PRO B 415 -7.494 3.371 -15.176 1.00 0.00 O ATOM 14 CB PRO B 415 -7.902 0.553 -16.456 1.00 0.00 C ATOM 15 CG PRO B 415 -6.900 -0.578 -16.216 1.00 0.00 C ATOM 16 CD PRO B 415 -5.778 -0.285 -17.212 1.00 0.00 C ATOM 0 HA PRO B 415 -7.539 2.404 -17.564 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -8.477 0.775 -15.557 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -8.618 0.294 -17.236 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -6.534 -0.578 -15.189 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -7.349 -1.555 -16.394 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -4.807 -0.564 -16.802 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -5.911 -0.855 -18.131 1.00 0.00 H new ATOM 24 N LEU B 416 -5.429 2.472 -15.157 1.00 0.00 N ATOM 25 CA LEU B 416 -4.964 3.238 -14.007 1.00 0.00 C ATOM 26 C LEU B 416 -4.736 4.700 -14.387 1.00 0.00 C ATOM 27 O LEU B 416 -4.623 5.034 -15.566 1.00 0.00 O ATOM 28 CB LEU B 416 -3.673 2.616 -13.467 1.00 0.00 C ATOM 29 CG LEU B 416 -3.875 1.152 -13.055 1.00 0.00 C ATOM 30 CD1 LEU B 416 -2.540 0.567 -12.601 1.00 0.00 C ATOM 31 CD2 LEU B 416 -4.879 1.050 -11.903 1.00 0.00 C ATOM 0 H LEU B 416 -4.730 1.836 -15.541 1.00 0.00 H new ATOM 0 HA LEU B 416 -5.728 3.209 -13.230 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -2.895 2.675 -14.228 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -3.324 3.190 -12.609 1.00 0.00 H new ATOM 0 HG LEU B 416 -4.260 0.599 -13.912 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -2.680 -0.473 -12.307 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -1.822 0.620 -13.420 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -2.163 1.136 -11.751 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -5.009 0.004 -11.625 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -4.507 1.610 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -5.837 1.463 -12.218 1.00 0.00 H new ATOM 43 N GLY B 417 -4.664 5.574 -13.378 1.00 0.00 N ATOM 44 CA GLY B 417 -4.453 6.998 -13.594 1.00 0.00 C ATOM 45 C GLY B 417 -4.249 7.726 -12.271 1.00 0.00 C ATOM 46 O GLY B 417 -4.287 7.113 -11.205 1.00 0.00 O ATOM 0 H GLY B 417 -4.750 5.311 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -3.583 7.148 -14.234 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -5.310 7.421 -14.118 1.00 0.00 H new ATOM 50 N SER B 418 -4.032 9.044 -12.340 1.00 0.00 N ATOM 51 CA SER B 418 -3.809 9.873 -11.160 1.00 0.00 C ATOM 52 C SER B 418 -5.106 10.106 -10.376 1.00 0.00 C ATOM 53 O SER B 418 -5.076 10.736 -9.321 1.00 0.00 O ATOM 54 CB SER B 418 -3.207 11.212 -11.586 1.00 0.00 C ATOM 55 OG SER B 418 -1.947 10.994 -12.189 1.00 0.00 O ATOM 0 H SER B 418 -4.007 9.562 -13.218 1.00 0.00 H new ATOM 0 HA SER B 418 -3.117 9.347 -10.501 1.00 0.00 H new ATOM 0 HB2 SER B 418 -3.874 11.716 -12.285 1.00 0.00 H new ATOM 0 HB3 SER B 418 -3.099 11.866 -10.721 1.00 0.00 H new ATOM 0 HG SER B 418 -1.563 11.853 -12.463 1.00 0.00 H new ATOM 61 N GLY B 419 -6.238 9.605 -10.882 1.00 0.00 N ATOM 62 CA GLY B 419 -7.529 9.780 -10.225 1.00 0.00 C ATOM 63 C GLY B 419 -7.612 8.938 -8.956 1.00 0.00 C ATOM 64 O GLY B 419 -6.974 7.891 -8.854 1.00 0.00 O ATOM 0 H GLY B 419 -6.281 9.072 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -7.677 10.832 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -8.330 9.497 -10.907 1.00 0.00 H new ATOM 68 N GLN B 420 -8.407 9.401 -7.987 1.00 0.00 N ATOM 69 CA GLN B 420 -8.582 8.725 -6.705 1.00 0.00 C ATOM 70 C GLN B 420 -10.005 8.933 -6.187 1.00 0.00 C ATOM 71 O GLN B 420 -10.764 9.732 -6.732 1.00 0.00 O ATOM 72 CB GLN B 420 -7.574 9.262 -5.680 1.00 0.00 C ATOM 73 CG GLN B 420 -6.127 9.035 -6.134 1.00 0.00 C ATOM 74 CD GLN B 420 -5.132 9.391 -5.036 1.00 0.00 C ATOM 75 OE1 GLN B 420 -5.505 9.571 -3.878 1.00 0.00 O ATOM 76 NE2 GLN B 420 -3.857 9.497 -5.395 1.00 0.00 N ATOM 0 H GLN B 420 -8.949 10.261 -8.074 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.409 7.659 -6.850 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.744 10.328 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.735 8.772 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.995 7.992 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -5.924 9.638 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -3.586 9.340 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -3.150 9.735 -4.700 1.00 0.00 H new ATOM 85 N GLN B 421 -10.361 8.206 -5.124 1.00 0.00 N ATOM 86 CA GLN B 421 -11.649 8.348 -4.457 1.00 0.00 C ATOM 87 C GLN B 421 -11.466 8.066 -2.967 1.00 0.00 C ATOM 88 O GLN B 421 -10.795 7.100 -2.601 1.00 0.00 O ATOM 89 CB GLN B 421 -12.661 7.393 -5.094 1.00 0.00 C ATOM 90 CG GLN B 421 -14.003 7.407 -4.352 1.00 0.00 C ATOM 91 CD GLN B 421 -14.717 8.751 -4.461 1.00 0.00 C ATOM 92 OE1 GLN B 421 -14.383 9.582 -5.298 1.00 0.00 O ATOM 93 NE2 GLN B 421 -15.714 8.961 -3.607 1.00 0.00 N ATOM 0 H GLN B 421 -9.757 7.500 -4.703 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.032 9.362 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.819 7.673 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -12.256 6.381 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.646 6.624 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -13.836 7.172 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.961 8.244 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.232 9.839 -3.634 1.00 0.00 H new ATOM 102 N ARG B 422 -12.059 8.901 -2.108 1.00 0.00 N ATOM 103 CA ARG B 422 -11.911 8.767 -0.660 1.00 0.00 C ATOM 104 C ARG B 422 -13.225 9.092 0.043 1.00 0.00 C ATOM 105 O ARG B 422 -14.040 9.860 -0.468 1.00 0.00 O ATOM 106 CB ARG B 422 -10.798 9.692 -0.157 1.00 0.00 C ATOM 107 CG ARG B 422 -9.450 9.336 -0.795 1.00 0.00 C ATOM 108 CD ARG B 422 -8.358 10.238 -0.228 1.00 0.00 C ATOM 109 NE ARG B 422 -7.097 10.072 -0.959 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.901 9.956 -0.377 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.774 10.031 0.945 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.818 9.764 -1.124 1.00 0.00 N ATOM 0 H ARG B 422 -12.650 9.681 -2.396 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.643 7.736 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.050 10.727 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.721 9.616 0.928 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.209 8.291 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.507 9.454 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.678 11.279 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.203 10.007 0.826 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.136 10.043 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.597 10.179 1.529 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -4.853 9.940 1.375 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.902 9.706 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.903 9.675 -0.682 1.00 0.00 H new ATOM 126 N ALA B 423 -13.425 8.505 1.224 1.00 0.00 N ATOM 127 CA ALA B 423 -14.627 8.749 2.000 1.00 0.00 C ATOM 128 C ALA B 423 -14.673 10.220 2.408 1.00 0.00 C ATOM 129 O ALA B 423 -13.706 10.751 2.950 1.00 0.00 O ATOM 130 CB ALA B 423 -14.635 7.837 3.228 1.00 0.00 C ATOM 0 H ALA B 423 -12.766 7.858 1.658 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.511 8.527 1.403 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.538 8.020 3.811 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.615 6.795 2.908 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.758 8.045 3.841 1.00 0.00 H new ATOM 136 N GLY B 424 -15.807 10.873 2.145 1.00 0.00 N ATOM 137 CA GLY B 424 -16.007 12.273 2.477 1.00 0.00 C ATOM 138 C GLY B 424 -15.933 13.140 1.223 1.00 0.00 C ATOM 139 O GLY B 424 -16.258 14.325 1.277 1.00 0.00 O ATOM 0 H GLY B 424 -16.612 10.438 1.694 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.976 12.403 2.958 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.250 12.594 3.193 1.00 0.00 H new ATOM 143 N ASP B 425 -15.505 12.562 0.095 1.00 0.00 N ATOM 144 CA ASP B 425 -15.534 13.254 -1.184 1.00 0.00 C ATOM 145 C ASP B 425 -16.951 13.644 -1.583 1.00 0.00 C ATOM 146 O ASP B 425 -17.915 13.056 -1.091 1.00 0.00 O ATOM 147 CB ASP B 425 -14.889 12.389 -2.264 1.00 0.00 C ATOM 148 CG ASP B 425 -13.382 12.244 -2.074 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.847 12.883 -1.142 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.776 11.494 -2.868 1.00 0.00 O ATOM 0 H ASP B 425 -15.134 11.613 0.049 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.962 14.176 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.350 11.401 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.088 12.826 -3.242 1.00 0.00 H new ATOM 155 N TRP B 426 -17.090 14.633 -2.471 1.00 0.00 N ATOM 156 CA TRP B 426 -18.410 15.112 -2.847 1.00 0.00 C ATOM 157 C TRP B 426 -18.405 15.661 -4.271 1.00 0.00 C ATOM 158 O TRP B 426 -17.407 16.216 -4.725 1.00 0.00 O ATOM 159 CB TRP B 426 -18.853 16.172 -1.841 1.00 0.00 C ATOM 160 CG TRP B 426 -18.003 17.405 -1.778 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.872 17.541 -1.053 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.157 18.666 -2.500 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.336 18.795 -1.252 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.089 19.535 -2.140 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.121 19.182 -3.386 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -16.983 20.839 -2.633 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.021 20.483 -3.895 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.958 21.315 -3.518 1.00 0.00 C ATOM 0 H TRP B 426 -16.314 15.107 -2.933 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.119 14.285 -2.829 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.874 16.469 -2.080 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.877 15.718 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.450 16.780 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.487 19.134 -0.799 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -19.955 18.562 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.160 21.471 -2.335 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.769 20.848 -4.583 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.891 22.320 -3.909 1.00 0.00 H new ATOM 179 N LYS B 427 -19.527 15.499 -4.976 1.00 0.00 N ATOM 180 CA LYS B 427 -19.650 15.946 -6.356 1.00 0.00 C ATOM 181 C LYS B 427 -20.300 17.324 -6.396 1.00 0.00 C ATOM 182 O LYS B 427 -21.138 17.647 -5.551 1.00 0.00 O ATOM 183 CB LYS B 427 -20.481 14.934 -7.145 1.00 0.00 C ATOM 184 CG LYS B 427 -20.204 15.097 -8.641 1.00 0.00 C ATOM 185 CD LYS B 427 -21.269 14.385 -9.475 1.00 0.00 C ATOM 186 CE LYS B 427 -22.603 15.123 -9.367 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.648 14.453 -10.162 1.00 0.00 N ATOM 0 H LYS B 427 -20.368 15.057 -4.605 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.661 16.018 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.235 13.921 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.542 15.083 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.184 16.156 -8.898 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.220 14.693 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -20.954 14.338 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.384 13.357 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.912 15.171 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.483 16.150 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.543 14.975 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.362 14.429 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.778 13.481 -9.816 1.00 0.00 H new ATOM 201 N CYS B 428 -19.914 18.134 -7.382 1.00 0.00 N ATOM 202 CA CYS B 428 -20.453 19.472 -7.544 1.00 0.00 C ATOM 203 C CYS B 428 -21.963 19.403 -7.796 1.00 0.00 C ATOM 204 O CYS B 428 -22.403 18.646 -8.666 1.00 0.00 O ATOM 205 CB CYS B 428 -19.728 20.150 -8.705 1.00 0.00 C ATOM 206 SG CYS B 428 -20.251 21.875 -8.798 1.00 0.00 S ATOM 0 H CYS B 428 -19.221 17.877 -8.085 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.297 20.056 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.649 20.091 -8.561 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.953 19.637 -9.640 1.00 0.00 H new ATOM 211 N PRO B 429 -22.762 20.183 -7.052 1.00 0.00 N ATOM 212 CA PRO B 429 -24.210 20.195 -7.176 1.00 0.00 C ATOM 213 C PRO B 429 -24.660 20.934 -8.437 1.00 0.00 C ATOM 214 O PRO B 429 -25.821 20.832 -8.832 1.00 0.00 O ATOM 215 CB PRO B 429 -24.710 20.919 -5.927 1.00 0.00 C ATOM 216 CG PRO B 429 -23.562 21.862 -5.573 1.00 0.00 C ATOM 217 CD PRO B 429 -22.316 21.094 -6.017 1.00 0.00 C ATOM 0 HA PRO B 429 -24.609 19.184 -7.259 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.632 21.466 -6.123 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.920 20.221 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.652 22.816 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.538 22.082 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.552 21.773 -6.396 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.873 20.551 -5.182 1.00 0.00 H new ATOM 225 N ASN B 430 -23.754 21.679 -9.075 1.00 0.00 N ATOM 226 CA ASN B 430 -24.077 22.433 -10.274 1.00 0.00 C ATOM 227 C ASN B 430 -24.289 21.449 -11.431 1.00 0.00 C ATOM 228 O ASN B 430 -23.403 20.641 -11.711 1.00 0.00 O ATOM 229 CB ASN B 430 -22.909 23.379 -10.586 1.00 0.00 C ATOM 230 CG ASN B 430 -23.355 24.734 -11.105 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.522 24.945 -11.415 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.415 25.667 -11.196 1.00 0.00 N ATOM 0 H ASN B 430 -22.784 21.772 -8.772 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.985 23.018 -10.132 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.315 23.521 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.259 22.911 -11.325 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.653 26.599 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.455 25.451 -10.928 1.00 0.00 H new ATOM 239 N PRO B 431 -25.445 21.498 -12.112 1.00 0.00 N ATOM 240 CA PRO B 431 -25.720 20.640 -13.251 1.00 0.00 C ATOM 241 C PRO B 431 -24.821 21.008 -14.432 1.00 0.00 C ATOM 242 O PRO B 431 -24.666 20.222 -15.362 1.00 0.00 O ATOM 243 CB PRO B 431 -27.194 20.864 -13.588 1.00 0.00 C ATOM 244 CG PRO B 431 -27.492 22.256 -13.032 1.00 0.00 C ATOM 245 CD PRO B 431 -26.560 22.380 -11.830 1.00 0.00 C ATOM 0 HA PRO B 431 -25.520 19.592 -13.028 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.369 20.817 -14.663 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.828 20.106 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.295 23.032 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.537 22.353 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.223 23.408 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.066 22.090 -10.909 1.00 0.00 H new ATOM 253 N THR B 432 -24.226 22.205 -14.395 1.00 0.00 N ATOM 254 CA THR B 432 -23.279 22.658 -15.404 1.00 0.00 C ATOM 255 C THR B 432 -21.831 22.300 -15.071 1.00 0.00 C ATOM 256 O THR B 432 -20.917 22.634 -15.826 1.00 0.00 O ATOM 257 CB THR B 432 -23.447 24.157 -15.685 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.714 24.898 -14.734 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.918 24.583 -15.619 1.00 0.00 C ATOM 0 H THR B 432 -24.393 22.888 -13.656 1.00 0.00 H new ATOM 0 HA THR B 432 -23.515 22.115 -16.319 1.00 0.00 H new ATOM 0 HB THR B 432 -23.077 24.351 -16.692 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.819 25.856 -14.914 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.997 25.651 -15.823 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.491 24.028 -16.362 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.313 24.374 -14.625 1.00 0.00 H new ATOM 267 N CYS B 433 -21.621 21.621 -13.935 1.00 0.00 N ATOM 268 CA CYS B 433 -20.295 21.287 -13.444 1.00 0.00 C ATOM 269 C CYS B 433 -20.147 19.775 -13.281 1.00 0.00 C ATOM 270 O CYS B 433 -19.411 19.137 -14.030 1.00 0.00 O ATOM 271 CB CYS B 433 -20.074 22.007 -12.113 1.00 0.00 C ATOM 272 SG CYS B 433 -18.380 21.740 -11.558 1.00 0.00 S ATOM 0 H CYS B 433 -22.376 21.290 -13.334 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.541 21.611 -14.162 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.266 23.074 -12.228 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.775 21.636 -11.366 1.00 0.00 H new ATOM 277 N GLU B 434 -20.853 19.214 -12.291 1.00 0.00 N ATOM 278 CA GLU B 434 -20.801 17.797 -11.954 1.00 0.00 C ATOM 279 C GLU B 434 -19.372 17.295 -11.723 1.00 0.00 C ATOM 280 O GLU B 434 -19.132 16.090 -11.746 1.00 0.00 O ATOM 281 CB GLU B 434 -21.532 16.969 -13.016 1.00 0.00 C ATOM 282 CG GLU B 434 -23.012 17.353 -13.053 1.00 0.00 C ATOM 283 CD GLU B 434 -23.799 16.482 -14.033 1.00 0.00 C ATOM 284 OE1 GLU B 434 -25.044 16.624 -14.048 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.157 15.685 -14.758 1.00 0.00 O ATOM 0 H GLU B 434 -21.486 19.747 -11.695 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.317 17.669 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -21.080 17.136 -13.994 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.429 15.907 -12.795 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.439 17.254 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.109 18.400 -13.339 1.00 0.00 H new ATOM 292 N ASN B 435 -18.420 18.206 -11.504 1.00 0.00 N ATOM 293 CA ASN B 435 -17.041 17.829 -11.237 1.00 0.00 C ATOM 294 C ASN B 435 -16.945 17.172 -9.861 1.00 0.00 C ATOM 295 O ASN B 435 -17.669 17.552 -8.941 1.00 0.00 O ATOM 296 CB ASN B 435 -16.148 19.071 -11.288 1.00 0.00 C ATOM 297 CG ASN B 435 -14.684 18.706 -11.075 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.138 17.868 -11.789 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.045 19.330 -10.093 1.00 0.00 N ATOM 0 H ASN B 435 -18.586 19.212 -11.508 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.707 17.120 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.265 19.567 -12.251 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.464 19.781 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.064 19.120 -9.908 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.535 20.020 -9.523 1.00 0.00 H new ATOM 306 N MET B 436 -16.055 16.190 -9.717 1.00 0.00 N ATOM 307 CA MET B 436 -15.847 15.548 -8.431 1.00 0.00 C ATOM 308 C MET B 436 -14.861 16.380 -7.617 1.00 0.00 C ATOM 309 O MET B 436 -13.853 16.832 -8.157 1.00 0.00 O ATOM 310 CB MET B 436 -15.327 14.128 -8.648 1.00 0.00 C ATOM 311 CG MET B 436 -15.552 13.313 -7.380 1.00 0.00 C ATOM 312 SD MET B 436 -17.302 12.967 -7.072 1.00 0.00 S ATOM 313 CE MET B 436 -17.219 12.604 -5.306 1.00 0.00 C ATOM 0 H MET B 436 -15.473 15.828 -10.472 1.00 0.00 H new ATOM 0 HA MET B 436 -16.786 15.483 -7.881 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.842 13.664 -9.489 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.266 14.150 -8.897 1.00 0.00 H new ATOM 0 HG2 MET B 436 -15.008 12.372 -7.457 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.137 13.852 -6.528 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.227 12.575 -4.893 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.738 11.638 -5.155 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.642 13.379 -4.802 1.00 0.00 H new ATOM 323 N ASN B 437 -15.134 16.586 -6.326 1.00 0.00 N ATOM 324 CA ASN B 437 -14.311 17.442 -5.485 1.00 0.00 C ATOM 325 C ASN B 437 -13.790 16.677 -4.269 1.00 0.00 C ATOM 326 O ASN B 437 -14.478 15.809 -3.725 1.00 0.00 O ATOM 327 CB ASN B 437 -15.124 18.673 -5.062 1.00 0.00 C ATOM 328 CG ASN B 437 -15.644 19.440 -6.269 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.865 19.941 -7.078 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.964 19.536 -6.397 1.00 0.00 N ATOM 0 H ASN B 437 -15.927 16.165 -5.842 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.442 17.772 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -15.962 18.360 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.502 19.329 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.364 20.040 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.576 19.106 -5.704 1.00 0.00 H new ATOM 337 N PHE B 438 -12.567 17.008 -3.846 1.00 0.00 N ATOM 338 CA PHE B 438 -11.942 16.394 -2.685 1.00 0.00 C ATOM 339 C PHE B 438 -12.687 16.721 -1.392 1.00 0.00 C ATOM 340 O PHE B 438 -13.360 17.750 -1.302 1.00 0.00 O ATOM 341 CB PHE B 438 -10.458 16.777 -2.597 1.00 0.00 C ATOM 342 CG PHE B 438 -9.557 16.214 -3.686 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.354 16.874 -3.988 1.00 0.00 C ATOM 344 CD2 PHE B 438 -9.893 15.044 -4.385 1.00 0.00 C ATOM 345 CE1 PHE B 438 -7.480 16.357 -4.956 1.00 0.00 C ATOM 346 CE2 PHE B 438 -9.026 14.530 -5.360 1.00 0.00 C ATOM 347 CZ PHE B 438 -7.816 15.186 -5.643 1.00 0.00 C ATOM 0 H PHE B 438 -11.987 17.711 -4.304 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.002 15.313 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.382 17.864 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.075 16.448 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -8.100 17.787 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -10.823 14.538 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -6.550 16.862 -5.170 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.289 13.629 -5.894 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.146 14.786 -6.390 1.00 0.00 H new ATOM 357 N SER B 439 -12.571 15.851 -0.386 1.00 0.00 N ATOM 358 CA SER B 439 -13.340 15.966 0.846 1.00 0.00 C ATOM 359 C SER B 439 -13.025 17.258 1.604 1.00 0.00 C ATOM 360 O SER B 439 -13.903 17.809 2.268 1.00 0.00 O ATOM 361 CB SER B 439 -13.034 14.758 1.730 1.00 0.00 C ATOM 362 OG SER B 439 -13.700 14.882 2.967 1.00 0.00 O ATOM 0 H SER B 439 -11.941 15.049 -0.407 1.00 0.00 H new ATOM 0 HA SER B 439 -14.398 15.995 0.587 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.348 13.842 1.229 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.959 14.680 1.893 1.00 0.00 H new ATOM 0 HG SER B 439 -13.499 14.103 3.526 1.00 0.00 H new ATOM 368 N TRP B 440 -11.783 17.745 1.509 1.00 0.00 N ATOM 369 CA TRP B 440 -11.364 18.919 2.256 1.00 0.00 C ATOM 370 C TRP B 440 -11.808 20.227 1.601 1.00 0.00 C ATOM 371 O TRP B 440 -11.678 21.289 2.209 1.00 0.00 O ATOM 372 CB TRP B 440 -9.851 18.890 2.470 1.00 0.00 C ATOM 373 CG TRP B 440 -9.026 18.642 1.246 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.573 17.440 0.830 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.586 19.598 0.235 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.850 17.588 -0.334 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.813 18.909 -0.740 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.756 20.983 0.057 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.208 19.565 -1.816 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.159 21.651 -1.025 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.377 20.948 -1.954 1.00 0.00 C ATOM 0 H TRP B 440 -11.056 17.339 0.920 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.861 18.884 3.226 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.546 19.842 2.904 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.621 18.117 3.203 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.751 16.502 1.335 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.400 16.821 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.354 21.541 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.618 19.012 -2.532 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.303 22.715 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -6.907 21.472 -2.773 1.00 0.00 H new ATOM 392 N ARG B 441 -12.332 20.165 0.370 1.00 0.00 N ATOM 393 CA ARG B 441 -12.862 21.349 -0.291 1.00 0.00 C ATOM 394 C ARG B 441 -14.247 21.687 0.250 1.00 0.00 C ATOM 395 O ARG B 441 -15.008 20.792 0.608 1.00 0.00 O ATOM 396 CB ARG B 441 -12.931 21.135 -1.803 1.00 0.00 C ATOM 397 CG ARG B 441 -11.532 21.101 -2.413 1.00 0.00 C ATOM 398 CD ARG B 441 -11.652 21.073 -3.937 1.00 0.00 C ATOM 399 NE ARG B 441 -10.333 21.029 -4.573 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.517 22.077 -4.685 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.879 23.273 -4.226 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.331 21.927 -5.262 1.00 0.00 N ATOM 0 H ARG B 441 -12.397 19.309 -0.180 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.190 22.183 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.449 20.200 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.513 21.935 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.962 21.975 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -10.990 20.223 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.235 20.204 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.193 21.956 -4.278 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.018 20.137 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.790 23.395 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.246 24.067 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.048 21.013 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.702 22.725 -5.351 1.00 0.00 H new ATOM 416 N ASN B 442 -14.570 22.981 0.299 1.00 0.00 N ATOM 417 CA ASN B 442 -15.896 23.445 0.685 1.00 0.00 C ATOM 418 C ASN B 442 -16.617 24.074 -0.504 1.00 0.00 C ATOM 419 O ASN B 442 -17.788 24.430 -0.401 1.00 0.00 O ATOM 420 CB ASN B 442 -15.775 24.435 1.846 1.00 0.00 C ATOM 421 CG ASN B 442 -15.234 23.767 3.105 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.449 22.577 3.331 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.529 24.530 3.935 1.00 0.00 N ATOM 0 H ASN B 442 -13.918 23.732 0.072 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.491 22.593 1.014 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.117 25.255 1.558 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.752 24.870 2.056 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.146 24.132 4.793 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.371 25.513 3.714 1.00 0.00 H new ATOM 430 N GLU B 443 -15.917 24.206 -1.635 1.00 0.00 N ATOM 431 CA GLU B 443 -16.481 24.760 -2.856 1.00 0.00 C ATOM 432 C GLU B 443 -15.952 24.003 -4.072 1.00 0.00 C ATOM 433 O GLU B 443 -14.917 23.342 -3.999 1.00 0.00 O ATOM 434 CB GLU B 443 -16.136 26.248 -2.976 1.00 0.00 C ATOM 435 CG GLU B 443 -16.685 27.050 -1.797 1.00 0.00 C ATOM 436 CD GLU B 443 -16.389 28.542 -1.941 1.00 0.00 C ATOM 437 OE1 GLU B 443 -16.902 29.311 -1.096 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.654 28.905 -2.887 1.00 0.00 O ATOM 0 H GLU B 443 -14.939 23.928 -1.723 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.565 24.653 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.054 26.368 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.544 26.643 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.762 26.898 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.247 26.680 -0.870 1.00 0.00 H new ATOM 445 N CYS B 444 -16.672 24.109 -5.189 1.00 0.00 N ATOM 446 CA CYS B 444 -16.336 23.404 -6.409 1.00 0.00 C ATOM 447 C CYS B 444 -14.987 23.870 -6.945 1.00 0.00 C ATOM 448 O CYS B 444 -14.608 25.028 -6.786 1.00 0.00 O ATOM 449 CB CYS B 444 -17.440 23.634 -7.440 1.00 0.00 C ATOM 450 SG CYS B 444 -17.047 22.709 -8.941 1.00 0.00 S ATOM 0 H CYS B 444 -17.506 24.691 -5.265 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.257 22.337 -6.201 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.401 23.311 -7.040 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.529 24.697 -7.665 1.00 0.00 H new ATOM 455 N ASN B 445 -14.261 22.954 -7.586 1.00 0.00 N ATOM 456 CA ASN B 445 -12.938 23.231 -8.109 1.00 0.00 C ATOM 457 C ASN B 445 -13.024 23.950 -9.458 1.00 0.00 C ATOM 458 O ASN B 445 -11.991 24.307 -10.022 1.00 0.00 O ATOM 459 CB ASN B 445 -12.202 21.901 -8.276 1.00 0.00 C ATOM 460 CG ASN B 445 -10.702 22.037 -8.060 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.206 23.082 -7.650 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.972 20.965 -8.343 1.00 0.00 N ATOM 0 H ASN B 445 -14.581 22.000 -7.754 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.402 23.881 -7.417 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.604 21.175 -7.569 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.388 21.509 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.960 20.991 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.424 20.115 -8.682 1.00 0.00 H new ATOM 469 N GLN B 446 -14.239 24.161 -9.988 1.00 0.00 N ATOM 470 CA GLN B 446 -14.398 24.675 -11.343 1.00 0.00 C ATOM 471 C GLN B 446 -15.455 25.778 -11.427 1.00 0.00 C ATOM 472 O GLN B 446 -15.275 26.741 -12.171 1.00 0.00 O ATOM 473 CB GLN B 446 -14.792 23.521 -12.269 1.00 0.00 C ATOM 474 CG GLN B 446 -13.796 22.368 -12.141 1.00 0.00 C ATOM 475 CD GLN B 446 -13.804 21.456 -13.364 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.590 21.641 -14.289 1.00 0.00 O ATOM 477 NE2 GLN B 446 -12.919 20.462 -13.375 1.00 0.00 N ATOM 0 H GLN B 446 -15.115 23.983 -9.497 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.447 25.112 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.794 23.173 -12.020 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.823 23.870 -13.301 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.793 22.771 -11.998 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.034 21.783 -11.253 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.281 20.338 -12.589 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -12.879 19.824 -14.170 1.00 0.00 H new ATOM 486 N CYS B 447 -16.544 25.637 -10.672 1.00 0.00 N ATOM 487 CA CYS B 447 -17.640 26.600 -10.695 1.00 0.00 C ATOM 488 C CYS B 447 -17.850 27.263 -9.331 1.00 0.00 C ATOM 489 O CYS B 447 -18.775 28.061 -9.169 1.00 0.00 O ATOM 490 CB CYS B 447 -18.912 25.915 -11.197 1.00 0.00 C ATOM 491 SG CYS B 447 -19.364 24.582 -10.064 1.00 0.00 S ATOM 0 H CYS B 447 -16.689 24.857 -10.032 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.381 27.404 -11.384 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.724 26.638 -11.267 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.752 25.517 -12.199 1.00 0.00 H new ATOM 496 N LYS B 448 -16.994 26.933 -8.355 1.00 0.00 N ATOM 497 CA LYS B 448 -17.005 27.535 -7.025 1.00 0.00 C ATOM 498 C LYS B 448 -18.342 27.352 -6.304 1.00 0.00 C ATOM 499 O LYS B 448 -18.607 28.043 -5.320 1.00 0.00 O ATOM 500 CB LYS B 448 -16.603 29.013 -7.114 1.00 0.00 C ATOM 501 CG LYS B 448 -15.241 29.201 -7.792 1.00 0.00 C ATOM 502 CD LYS B 448 -14.118 28.583 -6.950 1.00 0.00 C ATOM 503 CE LYS B 448 -12.761 28.800 -7.620 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.439 30.236 -7.737 1.00 0.00 N ATOM 0 H LYS B 448 -16.265 26.229 -8.474 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.268 27.009 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.363 29.562 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.570 29.440 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -15.256 28.740 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.048 30.264 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.114 29.029 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.299 27.516 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -11.985 28.298 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -12.766 28.345 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.425 30.349 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -12.993 30.654 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -12.672 30.718 -6.845 1.00 0.00 H new ATOM 518 N ALA B 449 -19.191 26.435 -6.779 1.00 0.00 N ATOM 519 CA ALA B 449 -20.453 26.144 -6.114 1.00 0.00 C ATOM 520 C ALA B 449 -20.176 25.521 -4.744 1.00 0.00 C ATOM 521 O ALA B 449 -19.265 24.705 -4.617 1.00 0.00 O ATOM 522 CB ALA B 449 -21.288 25.207 -6.983 1.00 0.00 C ATOM 0 H ALA B 449 -19.022 25.885 -7.621 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.015 27.066 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.232 24.991 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.487 25.682 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.742 24.277 -7.144 1.00 0.00 H new ATOM 528 N PRO B 450 -20.947 25.891 -3.716 1.00 0.00 N ATOM 529 CA PRO B 450 -20.727 25.429 -2.358 1.00 0.00 C ATOM 530 C PRO B 450 -21.055 23.944 -2.223 1.00 0.00 C ATOM 531 O PRO B 450 -21.929 23.429 -2.917 1.00 0.00 O ATOM 532 CB PRO B 450 -21.649 26.283 -1.487 1.00 0.00 C ATOM 533 CG PRO B 450 -22.772 26.704 -2.439 1.00 0.00 C ATOM 534 CD PRO B 450 -22.082 26.786 -3.799 1.00 0.00 C ATOM 0 HA PRO B 450 -19.684 25.532 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.035 25.717 -0.640 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.125 27.148 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.585 25.978 -2.445 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.203 27.663 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.758 26.488 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.762 27.805 -4.015 1.00 0.00 H new ATOM 542 N LYS B 451 -20.349 23.258 -1.318 1.00 0.00 N ATOM 543 CA LYS B 451 -20.633 21.866 -0.996 1.00 0.00 C ATOM 544 C LYS B 451 -21.992 21.744 -0.292 1.00 0.00 C ATOM 545 O LYS B 451 -22.847 20.993 -0.757 1.00 0.00 O ATOM 546 CB LYS B 451 -19.486 21.293 -0.157 1.00 0.00 C ATOM 547 CG LYS B 451 -19.787 19.873 0.338 1.00 0.00 C ATOM 548 CD LYS B 451 -19.100 19.615 1.681 1.00 0.00 C ATOM 549 CE LYS B 451 -17.624 19.999 1.599 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.918 19.719 2.864 1.00 0.00 N ATOM 0 H LYS B 451 -19.569 23.655 -0.793 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.701 21.280 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.572 21.283 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.303 21.943 0.698 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.864 19.739 0.442 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.445 19.145 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.590 20.191 2.466 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.196 18.563 1.951 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.149 19.448 0.787 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.536 21.059 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.382 20.561 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.610 19.476 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.263 18.923 2.727 1.00 0.00 H new ATOM 564 N PRO B 452 -22.218 22.467 0.821 1.00 0.00 N ATOM 565 CA PRO B 452 -23.521 22.546 1.457 1.00 0.00 C ATOM 566 C PRO B 452 -24.512 23.291 0.566 1.00 0.00 C ATOM 567 O PRO B 452 -24.124 23.911 -0.423 1.00 0.00 O ATOM 568 CB PRO B 452 -23.299 23.290 2.775 1.00 0.00 C ATOM 569 CG PRO B 452 -22.043 24.123 2.517 1.00 0.00 C ATOM 570 CD PRO B 452 -21.242 23.254 1.554 1.00 0.00 C ATOM 0 HA PRO B 452 -23.944 21.556 1.629 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.152 23.920 3.027 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.157 22.599 3.606 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.285 25.092 2.080 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.492 24.317 3.437 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.647 23.867 0.877 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.548 22.610 2.094 1.00 0.00 H new ATOM 578 N ASP B 453 -25.797 23.231 0.924 1.00 0.00 N ATOM 579 CA ASP B 453 -26.857 23.887 0.168 1.00 0.00 C ATOM 580 C ASP B 453 -26.833 25.409 0.305 1.00 0.00 C ATOM 581 O ASP B 453 -27.615 26.100 -0.346 1.00 0.00 O ATOM 582 CB ASP B 453 -28.220 23.320 0.575 1.00 0.00 C ATOM 583 CG ASP B 453 -28.397 21.860 0.158 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.440 21.285 0.536 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.494 21.330 -0.527 1.00 0.00 O ATOM 0 H ASP B 453 -26.128 22.726 1.746 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.679 23.675 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.336 23.402 1.656 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -29.009 23.921 0.124 1.00 0.00 H new ATOM 590 N GLY B 454 -25.938 25.934 1.150 1.00 0.00 N ATOM 591 CA GLY B 454 -25.808 27.367 1.375 1.00 0.00 C ATOM 592 C GLY B 454 -24.692 27.656 2.372 1.00 0.00 C ATOM 593 O GLY B 454 -24.816 27.184 3.524 1.00 0.00 O ATOM 0 H GLY B 454 -25.285 25.371 1.695 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.599 27.871 0.431 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.750 27.768 1.749 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.349 18.775 0.954 1.00 0.00 O ATOM 599 C5' U A 1 -0.553 18.223 0.017 1.00 0.00 C ATOM 600 C4' U A 1 -1.819 17.760 0.738 1.00 0.00 C ATOM 601 O4' U A 1 -2.571 18.887 1.166 1.00 0.00 O ATOM 602 C3' U A 1 -2.716 16.986 -0.226 1.00 0.00 C ATOM 603 O3' U A 1 -3.603 16.163 0.507 1.00 0.00 O ATOM 604 C2' U A 1 -3.470 18.125 -0.891 1.00 0.00 C ATOM 605 O2' U A 1 -4.703 17.685 -1.427 1.00 0.00 O ATOM 606 C1' U A 1 -3.652 19.111 0.262 1.00 0.00 C ATOM 607 N1 U A 1 -3.699 20.520 -0.210 1.00 0.00 N ATOM 608 C2 U A 1 -3.463 21.527 0.724 1.00 0.00 C ATOM 609 O2 U A 1 -3.253 21.297 1.914 1.00 0.00 O ATOM 610 N3 U A 1 -3.474 22.827 0.247 1.00 0.00 N ATOM 611 C4 U A 1 -3.726 23.210 -1.057 1.00 0.00 C ATOM 612 O4 U A 1 -3.708 24.400 -1.372 1.00 0.00 O ATOM 613 C5 U A 1 -3.998 22.113 -1.954 1.00 0.00 C ATOM 614 C6 U A 1 -3.980 20.831 -1.518 1.00 0.00 C ATOM 0 H5' U A 1 -0.088 17.383 -0.500 1.00 0.00 H new ATOM 0 H5'' U A 1 -0.804 18.964 -0.742 1.00 0.00 H new ATOM 0 H4' U A 1 -1.516 17.140 1.581 1.00 0.00 H new ATOM 0 H3' U A 1 -2.193 16.328 -0.920 1.00 0.00 H new ATOM 0 H2' U A 1 -2.951 18.561 -1.745 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.349 18.422 -1.410 1.00 0.00 H new ATOM 0 HO5' U A 1 1.161 19.070 0.492 1.00 0.00 H new ATOM 0 H1' U A 1 -4.608 18.946 0.758 1.00 0.00 H new ATOM 0 H3 U A 1 -3.278 23.569 0.919 1.00 0.00 H new ATOM 0 H5 U A 1 -4.220 22.318 -2.991 1.00 0.00 H new ATOM 0 H6 U A 1 -4.192 20.034 -2.215 1.00 0.00 H new ATOM 625 P G A 2 -3.175 14.687 0.976 1.00 0.00 P ATOM 626 OP1 G A 2 -4.103 14.254 2.046 1.00 0.00 O ATOM 627 OP2 G A 2 -1.711 14.669 1.213 1.00 0.00 O ATOM 628 O5' G A 2 -3.493 13.818 -0.344 1.00 0.00 O ATOM 629 C5' G A 2 -2.469 13.444 -1.242 1.00 0.00 C ATOM 630 C4' G A 2 -3.070 13.166 -2.621 1.00 0.00 C ATOM 631 O4' G A 2 -4.207 12.314 -2.537 1.00 0.00 O ATOM 632 C3' G A 2 -3.518 14.455 -3.303 1.00 0.00 C ATOM 633 O3' G A 2 -2.480 15.047 -4.052 1.00 0.00 O ATOM 634 C2' G A 2 -4.648 13.958 -4.189 1.00 0.00 C ATOM 635 O2' G A 2 -4.160 13.388 -5.388 1.00 0.00 O ATOM 636 C1' G A 2 -5.256 12.863 -3.322 1.00 0.00 C ATOM 637 N9 G A 2 -6.297 13.437 -2.443 1.00 0.00 N ATOM 638 C8 G A 2 -6.185 14.420 -1.495 1.00 0.00 C ATOM 639 N7 G A 2 -7.297 14.685 -0.869 1.00 0.00 N ATOM 640 C5 G A 2 -8.220 13.822 -1.453 1.00 0.00 C ATOM 641 C6 G A 2 -9.606 13.639 -1.180 1.00 0.00 C ATOM 642 O6 G A 2 -10.290 14.193 -0.325 1.00 0.00 O ATOM 643 N1 G A 2 -10.179 12.705 -2.027 1.00 0.00 N ATOM 644 C2 G A 2 -9.507 12.029 -3.017 1.00 0.00 C ATOM 645 N2 G A 2 -10.234 11.209 -3.771 1.00 0.00 N ATOM 646 N3 G A 2 -8.200 12.151 -3.246 1.00 0.00 N ATOM 647 C4 G A 2 -7.620 13.070 -2.432 1.00 0.00 C ATOM 0 H5' G A 2 -1.955 12.557 -0.873 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.725 14.238 -1.312 1.00 0.00 H new ATOM 0 H4' G A 2 -2.282 12.684 -3.199 1.00 0.00 H new ATOM 0 H3' G A 2 -3.816 15.239 -2.607 1.00 0.00 H new ATOM 0 H2' G A 2 -5.334 14.749 -4.492 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.814 14.097 -5.970 1.00 0.00 H new ATOM 0 H1' G A 2 -5.719 12.093 -3.939 1.00 0.00 H new ATOM 0 H8 G A 2 -5.257 14.930 -1.285 1.00 0.00 H new ATOM 0 H1 G A 2 -11.172 12.504 -1.907 1.00 0.00 H new ATOM 0 H21 G A 2 -9.791 10.680 -4.522 1.00 0.00 H new ATOM 0 H22 G A 2 -11.234 11.110 -3.598 1.00 0.00 H new ATOM 659 P G A 3 -2.718 16.447 -4.802 1.00 0.00 P ATOM 660 OP1 G A 3 -1.395 17.009 -5.151 1.00 0.00 O ATOM 661 OP2 G A 3 -3.664 17.252 -3.999 1.00 0.00 O ATOM 662 O5' G A 3 -3.454 16.017 -6.166 1.00 0.00 O ATOM 663 C5' G A 3 -3.829 17.000 -7.102 1.00 0.00 C ATOM 664 C4' G A 3 -4.325 16.347 -8.393 1.00 0.00 C ATOM 665 O4' G A 3 -5.725 16.149 -8.298 1.00 0.00 O ATOM 666 C3' G A 3 -4.124 17.309 -9.560 1.00 0.00 C ATOM 667 O3' G A 3 -4.332 16.658 -10.797 1.00 0.00 O ATOM 668 C2' G A 3 -5.280 18.258 -9.312 1.00 0.00 C ATOM 669 O2' G A 3 -5.630 18.989 -10.470 1.00 0.00 O ATOM 670 C1' G A 3 -6.366 17.265 -8.905 1.00 0.00 C ATOM 671 N9 G A 3 -7.356 17.861 -7.992 1.00 0.00 N ATOM 672 C8 G A 3 -7.213 18.898 -7.102 1.00 0.00 C ATOM 673 N7 G A 3 -8.302 19.181 -6.443 1.00 0.00 N ATOM 674 C5 G A 3 -9.234 18.269 -6.939 1.00 0.00 C ATOM 675 C6 G A 3 -10.606 18.093 -6.607 1.00 0.00 C ATOM 676 O6 G A 3 -11.277 18.698 -5.774 1.00 0.00 O ATOM 677 N1 G A 3 -11.192 17.089 -7.362 1.00 0.00 N ATOM 678 C2 G A 3 -10.541 16.321 -8.295 1.00 0.00 C ATOM 679 N2 G A 3 -11.270 15.396 -8.919 1.00 0.00 N ATOM 680 N3 G A 3 -9.247 16.462 -8.596 1.00 0.00 N ATOM 681 C4 G A 3 -8.662 17.459 -7.884 1.00 0.00 C ATOM 0 H5' G A 3 -2.980 17.648 -7.318 1.00 0.00 H new ATOM 0 H5'' G A 3 -4.612 17.631 -6.682 1.00 0.00 H new ATOM 0 H4' G A 3 -3.784 15.413 -8.542 1.00 0.00 H new ATOM 0 H3' G A 3 -3.130 17.753 -9.611 1.00 0.00 H new ATOM 0 H2' G A 3 -5.078 19.037 -8.577 1.00 0.00 H new ATOM 0 HO2' G A 3 -6.564 18.805 -10.704 1.00 0.00 H new ATOM 0 H1' G A 3 -6.922 16.957 -9.791 1.00 0.00 H new ATOM 0 H8 G A 3 -6.284 19.430 -6.961 1.00 0.00 H new ATOM 0 H1 G A 3 -12.184 16.907 -7.213 1.00 0.00 H new ATOM 0 H21 G A 3 -10.839 14.796 -9.622 1.00 0.00 H new ATOM 0 H22 G A 3 -12.259 15.288 -8.693 1.00 0.00 H new ATOM 693 P U A 4 -3.221 15.707 -11.462 1.00 0.00 P ATOM 694 OP1 U A 4 -2.947 14.577 -10.551 1.00 0.00 O ATOM 695 OP2 U A 4 -2.106 16.550 -11.951 1.00 0.00 O ATOM 696 O5' U A 4 -4.037 15.138 -12.733 1.00 0.00 O ATOM 697 C5' U A 4 -4.436 16.002 -13.775 1.00 0.00 C ATOM 698 C4' U A 4 -5.840 15.629 -14.256 1.00 0.00 C ATOM 699 O4' U A 4 -6.792 15.819 -13.220 1.00 0.00 O ATOM 700 C3' U A 4 -6.261 16.528 -15.425 1.00 0.00 C ATOM 701 O3' U A 4 -6.315 15.795 -16.635 1.00 0.00 O ATOM 702 C2' U A 4 -7.652 17.033 -15.031 1.00 0.00 C ATOM 703 O2' U A 4 -8.593 16.843 -16.070 1.00 0.00 O ATOM 704 C1' U A 4 -8.016 16.198 -13.813 1.00 0.00 C ATOM 705 N1 U A 4 -8.838 16.981 -12.861 1.00 0.00 N ATOM 706 C2 U A 4 -10.181 16.656 -12.738 1.00 0.00 C ATOM 707 O2 U A 4 -10.705 15.757 -13.400 1.00 0.00 O ATOM 708 N3 U A 4 -10.914 17.399 -11.830 1.00 0.00 N ATOM 709 C4 U A 4 -10.426 18.432 -11.048 1.00 0.00 C ATOM 710 O4 U A 4 -11.163 19.024 -10.262 1.00 0.00 O ATOM 711 C5 U A 4 -9.022 18.716 -11.250 1.00 0.00 C ATOM 712 C6 U A 4 -8.288 18.000 -12.134 1.00 0.00 C ATOM 0 H5' U A 4 -3.730 15.937 -14.603 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.424 17.035 -13.427 1.00 0.00 H new ATOM 0 H4' U A 4 -5.810 14.583 -14.562 1.00 0.00 H new ATOM 0 H3' U A 4 -5.556 17.341 -15.598 1.00 0.00 H new ATOM 0 H2' U A 4 -7.656 18.104 -14.829 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.166 16.372 -16.816 1.00 0.00 H new ATOM 0 H1' U A 4 -8.609 15.328 -14.094 1.00 0.00 H new ATOM 0 H3 U A 4 -11.902 17.165 -11.728 1.00 0.00 H new ATOM 0 H5 U A 4 -8.553 19.510 -10.688 1.00 0.00 H new ATOM 0 H6 U A 4 -7.243 18.239 -12.268 1.00 0.00 H new ATOM 723 P G A 5 -4.970 15.285 -17.361 1.00 0.00 P ATOM 724 OP1 G A 5 -3.898 16.270 -17.101 1.00 0.00 O ATOM 725 OP2 G A 5 -5.311 14.925 -18.754 1.00 0.00 O ATOM 726 O5' G A 5 -4.617 13.929 -16.568 1.00 0.00 O ATOM 727 C5' G A 5 -5.341 12.744 -16.821 1.00 0.00 C ATOM 728 C4' G A 5 -4.802 11.615 -15.945 1.00 0.00 C ATOM 729 O4' G A 5 -5.309 11.751 -14.622 1.00 0.00 O ATOM 730 C3' G A 5 -5.300 10.273 -16.473 1.00 0.00 C ATOM 731 O3' G A 5 -4.415 9.249 -16.068 1.00 0.00 O ATOM 732 C2' G A 5 -6.635 10.147 -15.765 1.00 0.00 C ATOM 733 O2' G A 5 -7.029 8.793 -15.639 1.00 0.00 O ATOM 734 C1' G A 5 -6.336 10.791 -14.412 1.00 0.00 C ATOM 735 N9 G A 5 -7.544 11.413 -13.822 1.00 0.00 N ATOM 736 C8 G A 5 -8.857 11.268 -14.189 1.00 0.00 C ATOM 737 N7 G A 5 -9.695 11.928 -13.434 1.00 0.00 N ATOM 738 C5 G A 5 -8.879 12.558 -12.499 1.00 0.00 C ATOM 739 C6 G A 5 -9.221 13.402 -11.402 1.00 0.00 C ATOM 740 O6 G A 5 -10.338 13.762 -11.039 1.00 0.00 O ATOM 741 N1 G A 5 -8.100 13.827 -10.707 1.00 0.00 N ATOM 742 C2 G A 5 -6.806 13.472 -11.008 1.00 0.00 C ATOM 743 N2 G A 5 -5.853 13.975 -10.225 1.00 0.00 N ATOM 744 N3 G A 5 -6.476 12.671 -12.028 1.00 0.00 N ATOM 745 C4 G A 5 -7.559 12.259 -12.737 1.00 0.00 C ATOM 0 H5' G A 5 -5.257 12.473 -17.873 1.00 0.00 H new ATOM 0 H5'' G A 5 -6.400 12.902 -16.616 1.00 0.00 H new ATOM 0 H4' G A 5 -3.713 11.662 -15.955 1.00 0.00 H new ATOM 0 H3' G A 5 -5.372 10.202 -17.558 1.00 0.00 H new ATOM 0 H2' G A 5 -7.465 10.617 -16.293 1.00 0.00 H new ATOM 0 HO2' G A 5 -7.847 8.739 -15.103 1.00 0.00 H new ATOM 0 HO3' G A 5 -4.908 8.406 -15.982 1.00 0.00 H new ATOM 0 H1' G A 5 -6.012 10.034 -13.698 1.00 0.00 H new ATOM 0 H8 G A 5 -9.171 10.663 -15.027 1.00 0.00 H new ATOM 0 H1 G A 5 -8.246 14.450 -9.913 1.00 0.00 H new ATOM 0 H21 G A 5 -4.875 13.746 -10.401 1.00 0.00 H new ATOM 0 H22 G A 5 -6.102 14.589 -9.450 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.797 22.686 -9.866 1.00 0.00 ZN