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= 0.15 K(o=0.31,f=-0.96) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -131:sc= 0.16 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.996 K(o=1.2,f=-2.1!) USER MOD Set 2.2: B 437 ASN : amide:sc= 0.252 K(o=1.2,f=-4.5!) USER MOD Single : A 1 U O2' : rot 163:sc= 0.992 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -15:sc= 0.048 USER MOD Single : A 3 G O2' : rot 14:sc= 0.244 USER MOD Single : A 4 U O2' : rot -66:sc= 1.19 USER MOD Single : A 5 G O2' : rot 174:sc= 0 USER MOD Single : A 5 G O3' : rot 128:sc= 0.181 USER MOD Single : B 418 SER OG : rot -44:sc= 0.602 USER MOD Single : B 420 GLN : amide:sc= 0.612 K(o=0.61,f=-5.3!) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.459 K(o=-0.46,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl -168:sc= -1.02 (180deg=-1.24) USER MOD Single : B 439 SER OG : rot -170:sc= -0.0224 USER MOD Single : B 445 ASN : amide:sc= 0.346 K(o=0.35,f=-2!) USER MOD Single : B 446 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.5!) USER MOD Single : B 448 LYS NZ :NH3+ 139:sc= 0.976 (180deg=0.0189) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 1.116 3.977 -12.476 1.00 0.00 N ATOM 2 CA GLY B 414 0.580 5.327 -12.714 1.00 0.00 C ATOM 3 C GLY B 414 -0.610 5.617 -11.810 1.00 0.00 C ATOM 4 O GLY B 414 -0.880 4.855 -10.883 1.00 0.00 O ATOM 0 HA2 GLY B 414 1.361 6.067 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY B 414 0.279 5.422 -13.757 1.00 0.00 H new ATOM 10 N PRO B 415 -1.326 6.721 -12.075 1.00 0.00 N ATOM 11 CA PRO B 415 -2.495 7.135 -11.322 1.00 0.00 C ATOM 12 C PRO B 415 -3.582 6.062 -11.323 1.00 0.00 C ATOM 13 O PRO B 415 -3.601 5.179 -12.182 1.00 0.00 O ATOM 14 CB PRO B 415 -2.990 8.413 -11.998 1.00 0.00 C ATOM 15 CG PRO B 415 -1.780 8.930 -12.775 1.00 0.00 C ATOM 16 CD PRO B 415 -1.008 7.665 -13.127 1.00 0.00 C ATOM 0 HA PRO B 415 -2.245 7.300 -10.274 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -3.831 8.211 -12.662 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -3.332 9.143 -11.264 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -2.082 9.476 -13.669 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -1.179 9.611 -12.173 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -1.305 7.281 -14.103 1.00 0.00 H new ATOM 0 HD3 PRO B 415 0.064 7.858 -13.173 1.00 0.00 H new ATOM 24 N LEU B 416 -4.496 6.148 -10.352 1.00 0.00 N ATOM 25 CA LEU B 416 -5.607 5.214 -10.241 1.00 0.00 C ATOM 26 C LEU B 416 -6.626 5.465 -11.352 1.00 0.00 C ATOM 27 O LEU B 416 -6.731 6.578 -11.868 1.00 0.00 O ATOM 28 CB LEU B 416 -6.269 5.362 -8.864 1.00 0.00 C ATOM 29 CG LEU B 416 -5.270 5.133 -7.724 1.00 0.00 C ATOM 30 CD1 LEU B 416 -5.961 5.396 -6.388 1.00 0.00 C ATOM 31 CD2 LEU B 416 -4.749 3.699 -7.736 1.00 0.00 C ATOM 0 H LEU B 416 -4.482 6.865 -9.627 1.00 0.00 H new ATOM 0 HA LEU B 416 -5.230 4.197 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -6.701 6.359 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -7.089 4.650 -8.777 1.00 0.00 H new ATOM 0 HG LEU B 416 -4.430 5.814 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -5.254 5.234 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -6.318 6.426 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -6.806 4.716 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -4.042 3.562 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -5.583 3.008 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -4.249 3.501 -8.684 1.00 0.00 H new ATOM 43 N GLY B 417 -7.380 4.426 -11.721 1.00 0.00 N ATOM 44 CA GLY B 417 -8.428 4.547 -12.725 1.00 0.00 C ATOM 45 C GLY B 417 -9.586 5.379 -12.186 1.00 0.00 C ATOM 46 O GLY B 417 -9.873 5.344 -10.991 1.00 0.00 O ATOM 0 H GLY B 417 -7.279 3.488 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -8.026 5.012 -13.625 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.784 3.557 -13.009 1.00 0.00 H new ATOM 50 N SER B 418 -10.250 6.130 -13.069 1.00 0.00 N ATOM 51 CA SER B 418 -11.339 7.029 -12.699 1.00 0.00 C ATOM 52 C SER B 418 -10.896 8.062 -11.647 1.00 0.00 C ATOM 53 O SER B 418 -11.728 8.697 -11.003 1.00 0.00 O ATOM 54 CB SER B 418 -12.551 6.208 -12.246 1.00 0.00 C ATOM 55 OG SER B 418 -13.678 7.040 -12.066 1.00 0.00 O ATOM 0 H SER B 418 -10.043 6.129 -14.068 1.00 0.00 H new ATOM 0 HA SER B 418 -11.632 7.609 -13.574 1.00 0.00 H new ATOM 0 HB2 SER B 418 -12.774 5.440 -12.987 1.00 0.00 H new ATOM 0 HB3 SER B 418 -12.320 5.693 -11.313 1.00 0.00 H new ATOM 0 HG SER B 418 -13.412 7.853 -11.588 1.00 0.00 H new ATOM 61 N GLY B 419 -9.579 8.232 -11.476 1.00 0.00 N ATOM 62 CA GLY B 419 -9.024 9.178 -10.521 1.00 0.00 C ATOM 63 C GLY B 419 -9.106 8.645 -9.094 1.00 0.00 C ATOM 64 O GLY B 419 -9.642 7.565 -8.848 1.00 0.00 O ATOM 0 H GLY B 419 -8.874 7.713 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -7.984 9.384 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -9.562 10.123 -10.589 1.00 0.00 H new ATOM 68 N GLN B 420 -8.566 9.415 -8.146 1.00 0.00 N ATOM 69 CA GLN B 420 -8.583 9.053 -6.738 1.00 0.00 C ATOM 70 C GLN B 420 -10.000 9.161 -6.181 1.00 0.00 C ATOM 71 O GLN B 420 -10.843 9.865 -6.740 1.00 0.00 O ATOM 72 CB GLN B 420 -7.628 9.956 -5.948 1.00 0.00 C ATOM 73 CG GLN B 420 -6.194 9.877 -6.491 1.00 0.00 C ATOM 74 CD GLN B 420 -5.974 10.760 -7.721 1.00 0.00 C ATOM 75 OE1 GLN B 420 -6.820 11.576 -8.076 1.00 0.00 O ATOM 76 NE2 GLN B 420 -4.829 10.597 -8.379 1.00 0.00 N ATOM 0 H GLN B 420 -8.107 10.305 -8.339 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.249 8.020 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.979 10.987 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.636 9.664 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.497 10.174 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -5.964 8.843 -6.747 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -4.148 9.909 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -4.632 11.160 -9.207 1.00 0.00 H new ATOM 85 N GLN B 421 -10.266 8.465 -5.071 1.00 0.00 N ATOM 86 CA GLN B 421 -11.574 8.501 -4.431 1.00 0.00 C ATOM 87 C GLN B 421 -11.446 8.242 -2.927 1.00 0.00 C ATOM 88 O GLN B 421 -10.659 7.394 -2.505 1.00 0.00 O ATOM 89 CB GLN B 421 -12.500 7.479 -5.089 1.00 0.00 C ATOM 90 CG GLN B 421 -13.877 7.473 -4.418 1.00 0.00 C ATOM 91 CD GLN B 421 -14.872 6.607 -5.183 1.00 0.00 C ATOM 92 OE1 GLN B 421 -14.521 5.941 -6.152 1.00 0.00 O ATOM 93 NE2 GLN B 421 -16.131 6.615 -4.748 1.00 0.00 N ATOM 0 H GLN B 421 -9.586 7.869 -4.599 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.006 9.493 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.609 7.711 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -12.056 6.486 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -13.783 7.104 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.256 8.493 -4.355 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -16.387 7.181 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.839 6.055 -5.224 1.00 0.00 H new ATOM 102 N ARG B 422 -12.228 8.975 -2.125 1.00 0.00 N ATOM 103 CA ARG B 422 -12.272 8.819 -0.674 1.00 0.00 C ATOM 104 C ARG B 422 -13.707 9.007 -0.186 1.00 0.00 C ATOM 105 O ARG B 422 -14.514 9.654 -0.852 1.00 0.00 O ATOM 106 CB ARG B 422 -11.325 9.820 0.005 1.00 0.00 C ATOM 107 CG ARG B 422 -9.865 9.577 -0.394 1.00 0.00 C ATOM 108 CD ARG B 422 -8.964 10.579 0.332 1.00 0.00 C ATOM 109 NE ARG B 422 -7.608 10.591 -0.225 1.00 0.00 N ATOM 110 CZ ARG B 422 -6.537 11.029 0.442 1.00 0.00 C ATOM 111 NH1 ARG B 422 -6.657 11.520 1.673 1.00 0.00 N ATOM 112 NH2 ARG B 422 -5.335 10.974 -0.121 1.00 0.00 N ATOM 0 H ARG B 422 -12.854 9.701 -2.474 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.939 7.816 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.613 10.836 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -11.425 9.739 1.087 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.572 8.558 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.749 9.683 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -9.396 11.577 0.259 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.920 10.328 1.392 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.475 10.245 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -7.574 11.565 2.117 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.832 11.852 2.173 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -5.230 10.597 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -4.517 11.309 0.389 1.00 0.00 H new ATOM 126 N ALA B 423 -14.026 8.442 0.976 1.00 0.00 N ATOM 127 CA ALA B 423 -15.382 8.430 1.499 1.00 0.00 C ATOM 128 C ALA B 423 -15.857 9.821 1.935 1.00 0.00 C ATOM 129 O ALA B 423 -16.996 9.968 2.380 1.00 0.00 O ATOM 130 CB ALA B 423 -15.452 7.446 2.667 1.00 0.00 C ATOM 0 H ALA B 423 -13.347 7.979 1.580 1.00 0.00 H new ATOM 0 HA ALA B 423 -16.052 8.114 0.700 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -16.465 7.429 3.068 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -15.182 6.449 2.319 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -14.758 7.758 3.448 1.00 0.00 H new ATOM 136 N GLY B 424 -14.997 10.837 1.814 1.00 0.00 N ATOM 137 CA GLY B 424 -15.338 12.201 2.199 1.00 0.00 C ATOM 138 C GLY B 424 -15.585 13.081 0.972 1.00 0.00 C ATOM 139 O GLY B 424 -15.996 14.232 1.107 1.00 0.00 O ATOM 0 H GLY B 424 -14.051 10.733 1.448 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.229 12.192 2.827 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -14.531 12.625 2.796 1.00 0.00 H new ATOM 143 N ASP B 425 -15.332 12.541 -0.224 1.00 0.00 N ATOM 144 CA ASP B 425 -15.486 13.277 -1.472 1.00 0.00 C ATOM 145 C ASP B 425 -16.923 13.733 -1.694 1.00 0.00 C ATOM 146 O ASP B 425 -17.853 13.193 -1.091 1.00 0.00 O ATOM 147 CB ASP B 425 -15.035 12.412 -2.646 1.00 0.00 C ATOM 148 CG ASP B 425 -13.551 12.083 -2.584 1.00 0.00 C ATOM 149 OD1 ASP B 425 -13.117 11.270 -3.426 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.861 12.642 -1.701 1.00 0.00 O ATOM 0 H ASP B 425 -15.015 11.580 -0.349 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.861 14.168 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.610 11.486 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.251 12.930 -3.580 1.00 0.00 H new ATOM 155 N TRP B 426 -17.104 14.727 -2.566 1.00 0.00 N ATOM 156 CA TRP B 426 -18.433 15.226 -2.878 1.00 0.00 C ATOM 157 C TRP B 426 -18.449 15.814 -4.284 1.00 0.00 C ATOM 158 O TRP B 426 -17.511 16.494 -4.694 1.00 0.00 O ATOM 159 CB TRP B 426 -18.839 16.262 -1.833 1.00 0.00 C ATOM 160 CG TRP B 426 -17.991 17.495 -1.775 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.844 17.627 -1.074 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.170 18.766 -2.473 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.324 18.890 -1.261 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.101 19.638 -2.120 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.151 19.283 -3.336 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.010 20.948 -2.597 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.069 20.596 -3.827 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.004 21.427 -3.460 1.00 0.00 C ATOM 0 H TRP B 426 -16.347 15.196 -3.063 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.155 14.410 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.869 16.561 -2.026 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.824 15.787 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.401 16.858 -0.459 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.470 19.229 -0.819 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -19.983 18.659 -3.627 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.186 21.582 -2.305 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.834 20.968 -4.493 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.949 22.436 -3.842 1.00 0.00 H new ATOM 179 N LYS B 427 -19.526 15.550 -5.029 1.00 0.00 N ATOM 180 CA LYS B 427 -19.656 16.021 -6.396 1.00 0.00 C ATOM 181 C LYS B 427 -20.311 17.398 -6.413 1.00 0.00 C ATOM 182 O LYS B 427 -21.158 17.696 -5.571 1.00 0.00 O ATOM 183 CB LYS B 427 -20.468 15.009 -7.203 1.00 0.00 C ATOM 184 CG LYS B 427 -20.432 15.347 -8.695 1.00 0.00 C ATOM 185 CD LYS B 427 -21.523 14.588 -9.446 1.00 0.00 C ATOM 186 CE LYS B 427 -22.887 15.193 -9.107 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.972 14.490 -9.817 1.00 0.00 N ATOM 0 H LYS B 427 -20.323 15.007 -4.697 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.670 16.116 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.070 14.007 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.500 15.002 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.567 16.420 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.455 15.093 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.346 14.642 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.502 13.533 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.056 15.137 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.897 16.249 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.885 14.921 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.821 14.565 -10.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.975 13.487 -9.540 1.00 0.00 H new ATOM 201 N CYS B 428 -19.917 18.237 -7.371 1.00 0.00 N ATOM 202 CA CYS B 428 -20.465 19.570 -7.526 1.00 0.00 C ATOM 203 C CYS B 428 -21.973 19.487 -7.799 1.00 0.00 C ATOM 204 O CYS B 428 -22.399 18.723 -8.667 1.00 0.00 O ATOM 205 CB CYS B 428 -19.728 20.263 -8.671 1.00 0.00 C ATOM 206 SG CYS B 428 -20.275 21.980 -8.779 1.00 0.00 S ATOM 0 H CYS B 428 -19.204 18.002 -8.062 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.329 20.149 -6.613 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.652 20.222 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.925 19.747 -9.611 1.00 0.00 H new ATOM 211 N PRO B 429 -22.784 20.267 -7.068 1.00 0.00 N ATOM 212 CA PRO B 429 -24.233 20.270 -7.205 1.00 0.00 C ATOM 213 C PRO B 429 -24.666 20.963 -8.500 1.00 0.00 C ATOM 214 O PRO B 429 -25.826 20.847 -8.900 1.00 0.00 O ATOM 215 CB PRO B 429 -24.746 21.026 -5.982 1.00 0.00 C ATOM 216 CG PRO B 429 -23.596 21.971 -5.627 1.00 0.00 C ATOM 217 CD PRO B 429 -22.349 21.189 -6.037 1.00 0.00 C ATOM 0 HA PRO B 429 -24.636 19.259 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.660 21.575 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.975 20.348 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.672 22.915 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.588 22.211 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.574 21.857 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.925 20.654 -5.187 1.00 0.00 H new ATOM 225 N ASN B 430 -23.752 21.686 -9.154 1.00 0.00 N ATOM 226 CA ASN B 430 -24.057 22.371 -10.402 1.00 0.00 C ATOM 227 C ASN B 430 -24.222 21.316 -11.499 1.00 0.00 C ATOM 228 O ASN B 430 -23.312 20.512 -11.711 1.00 0.00 O ATOM 229 CB ASN B 430 -22.897 23.316 -10.736 1.00 0.00 C ATOM 230 CG ASN B 430 -23.350 24.616 -11.378 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.507 24.773 -11.751 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.423 25.558 -11.513 1.00 0.00 N ATOM 0 H ASN B 430 -22.792 21.809 -8.833 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.975 22.952 -10.319 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.346 23.542 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.205 22.808 -11.408 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.663 26.452 -11.941 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.471 25.387 -11.189 1.00 0.00 H new ATOM 239 N PRO B 431 -25.360 21.297 -12.205 1.00 0.00 N ATOM 240 CA PRO B 431 -25.591 20.360 -13.290 1.00 0.00 C ATOM 241 C PRO B 431 -24.665 20.663 -14.471 1.00 0.00 C ATOM 242 O PRO B 431 -24.472 19.816 -15.338 1.00 0.00 O ATOM 243 CB PRO B 431 -27.059 20.542 -13.674 1.00 0.00 C ATOM 244 CG PRO B 431 -27.386 21.968 -13.225 1.00 0.00 C ATOM 245 CD PRO B 431 -26.499 22.170 -12.004 1.00 0.00 C ATOM 0 HA PRO B 431 -25.381 19.332 -12.996 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.209 20.417 -14.746 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.695 19.811 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.165 22.695 -14.006 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.442 22.078 -12.977 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.185 23.210 -11.914 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.030 21.917 -11.087 1.00 0.00 H new ATOM 253 N THR B 432 -24.092 21.869 -14.495 1.00 0.00 N ATOM 254 CA THR B 432 -23.124 22.266 -15.509 1.00 0.00 C ATOM 255 C THR B 432 -21.678 21.955 -15.116 1.00 0.00 C ATOM 256 O THR B 432 -20.753 22.252 -15.870 1.00 0.00 O ATOM 257 CB THR B 432 -23.306 23.740 -15.892 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.614 24.554 -14.972 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.782 24.144 -15.896 1.00 0.00 C ATOM 0 H THR B 432 -24.290 22.596 -13.808 1.00 0.00 H new ATOM 0 HA THR B 432 -23.327 21.658 -16.390 1.00 0.00 H new ATOM 0 HB THR B 432 -22.909 23.874 -16.898 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.729 25.496 -15.218 1.00 0.00 H new ATOM 0 HG21 THR B 432 -24.871 25.195 -16.172 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.325 23.532 -16.617 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.203 23.993 -14.902 1.00 0.00 H new ATOM 267 N CYS B 433 -21.489 21.356 -13.935 1.00 0.00 N ATOM 268 CA CYS B 433 -20.169 21.076 -13.393 1.00 0.00 C ATOM 269 C CYS B 433 -19.989 19.574 -13.163 1.00 0.00 C ATOM 270 O CYS B 433 -19.207 18.923 -13.856 1.00 0.00 O ATOM 271 CB CYS B 433 -20.005 21.854 -12.087 1.00 0.00 C ATOM 272 SG CYS B 433 -18.327 21.649 -11.472 1.00 0.00 S ATOM 0 H CYS B 433 -22.254 21.054 -13.332 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.403 21.390 -14.102 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.217 22.910 -12.252 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.721 21.497 -11.347 1.00 0.00 H new ATOM 277 N GLU B 434 -20.726 19.031 -12.186 1.00 0.00 N ATOM 278 CA GLU B 434 -20.679 17.617 -11.821 1.00 0.00 C ATOM 279 C GLU B 434 -19.251 17.125 -11.549 1.00 0.00 C ATOM 280 O GLU B 434 -18.988 15.924 -11.620 1.00 0.00 O ATOM 281 CB GLU B 434 -21.386 16.775 -12.884 1.00 0.00 C ATOM 282 CG GLU B 434 -22.873 17.141 -12.937 1.00 0.00 C ATOM 283 CD GLU B 434 -23.647 16.256 -13.912 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.893 16.364 -13.913 1.00 0.00 O ATOM 285 OE2 GLU B 434 -22.995 15.481 -14.649 1.00 0.00 O ATOM 0 H GLU B 434 -21.380 19.573 -11.621 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.214 17.498 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.927 16.943 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.272 15.715 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.305 17.047 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -22.979 18.185 -13.233 1.00 0.00 H new ATOM 292 N ASN B 435 -18.326 18.038 -11.238 1.00 0.00 N ATOM 293 CA ASN B 435 -16.953 17.675 -10.927 1.00 0.00 C ATOM 294 C ASN B 435 -16.873 16.989 -9.564 1.00 0.00 C ATOM 295 O ASN B 435 -17.580 17.369 -8.634 1.00 0.00 O ATOM 296 CB ASN B 435 -16.086 18.933 -10.936 1.00 0.00 C ATOM 297 CG ASN B 435 -14.626 18.600 -10.666 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.045 17.745 -11.325 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.028 19.273 -9.689 1.00 0.00 N ATOM 0 H ASN B 435 -18.512 19.040 -11.197 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.589 16.976 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.175 19.432 -11.901 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.447 19.632 -10.182 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.051 19.086 -9.464 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.546 19.977 -9.163 1.00 0.00 H new ATOM 306 N MET B 436 -16.009 15.975 -9.444 1.00 0.00 N ATOM 307 CA MET B 436 -15.786 15.296 -8.178 1.00 0.00 C ATOM 308 C MET B 436 -14.771 16.082 -7.351 1.00 0.00 C ATOM 309 O MET B 436 -13.565 15.990 -7.582 1.00 0.00 O ATOM 310 CB MET B 436 -15.290 13.871 -8.445 1.00 0.00 C ATOM 311 CG MET B 436 -15.049 13.113 -7.138 1.00 0.00 C ATOM 312 SD MET B 436 -16.316 11.891 -6.715 1.00 0.00 S ATOM 313 CE MET B 436 -17.626 13.017 -6.197 1.00 0.00 C ATOM 0 H MET B 436 -15.453 15.610 -10.218 1.00 0.00 H new ATOM 0 HA MET B 436 -16.718 15.238 -7.616 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.023 13.336 -9.049 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.366 13.907 -9.023 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.085 12.607 -7.202 1.00 0.00 H new ATOM 0 HG3 MET B 436 -14.977 13.835 -6.325 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.415 12.453 -5.699 1.00 0.00 H new ATOM 0 HE2 MET B 436 -17.219 13.757 -5.508 1.00 0.00 H new ATOM 0 HE3 MET B 436 -18.037 13.523 -7.070 1.00 0.00 H new ATOM 323 N ASN B 437 -15.255 16.861 -6.384 1.00 0.00 N ATOM 324 CA ASN B 437 -14.402 17.679 -5.535 1.00 0.00 C ATOM 325 C ASN B 437 -13.885 16.865 -4.347 1.00 0.00 C ATOM 326 O ASN B 437 -14.575 15.970 -3.853 1.00 0.00 O ATOM 327 CB ASN B 437 -15.188 18.896 -5.059 1.00 0.00 C ATOM 328 CG ASN B 437 -15.679 19.738 -6.228 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.892 20.139 -7.085 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.979 20.010 -6.272 1.00 0.00 N ATOM 0 H ASN B 437 -16.249 16.940 -6.171 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.537 18.014 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.040 18.569 -4.462 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.559 19.505 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.357 20.570 -7.036 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.599 19.659 -5.542 1.00 0.00 H new ATOM 337 N PHE B 438 -12.670 17.179 -3.889 1.00 0.00 N ATOM 338 CA PHE B 438 -12.065 16.502 -2.754 1.00 0.00 C ATOM 339 C PHE B 438 -12.741 16.826 -1.422 1.00 0.00 C ATOM 340 O PHE B 438 -13.424 17.842 -1.298 1.00 0.00 O ATOM 341 CB PHE B 438 -10.550 16.732 -2.711 1.00 0.00 C ATOM 342 CG PHE B 438 -9.748 16.011 -3.781 1.00 0.00 C ATOM 343 CD1 PHE B 438 -8.553 16.579 -4.246 1.00 0.00 C ATOM 344 CD2 PHE B 438 -10.174 14.778 -4.305 1.00 0.00 C ATOM 345 CE1 PHE B 438 -7.777 15.912 -5.205 1.00 0.00 C ATOM 346 CE2 PHE B 438 -9.404 14.118 -5.276 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.202 14.682 -5.724 1.00 0.00 C ATOM 0 H PHE B 438 -12.085 17.908 -4.297 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.232 15.436 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.360 17.802 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.181 16.421 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -8.229 17.535 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -11.097 14.337 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -6.849 16.348 -5.544 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -9.739 13.173 -5.679 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.606 14.171 -6.466 1.00 0.00 H new ATOM 357 N SER B 439 -12.543 15.960 -0.426 1.00 0.00 N ATOM 358 CA SER B 439 -13.229 16.050 0.858 1.00 0.00 C ATOM 359 C SER B 439 -12.898 17.345 1.597 1.00 0.00 C ATOM 360 O SER B 439 -13.736 17.872 2.327 1.00 0.00 O ATOM 361 CB SER B 439 -12.833 14.842 1.703 1.00 0.00 C ATOM 362 OG SER B 439 -13.458 14.899 2.969 1.00 0.00 O ATOM 0 H SER B 439 -11.898 15.173 -0.491 1.00 0.00 H new ATOM 0 HA SER B 439 -14.304 16.056 0.680 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.118 13.923 1.191 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.750 14.816 1.826 1.00 0.00 H new ATOM 0 HG SER B 439 -13.077 14.211 3.553 1.00 0.00 H new ATOM 368 N TRP B 440 -11.678 17.864 1.416 1.00 0.00 N ATOM 369 CA TRP B 440 -11.240 19.049 2.136 1.00 0.00 C ATOM 370 C TRP B 440 -11.736 20.349 1.499 1.00 0.00 C ATOM 371 O TRP B 440 -11.621 21.411 2.112 1.00 0.00 O ATOM 372 CB TRP B 440 -9.715 19.044 2.270 1.00 0.00 C ATOM 373 CG TRP B 440 -8.962 18.759 1.013 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.540 17.542 0.606 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.583 19.680 -0.054 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.896 17.652 -0.607 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.886 18.954 -1.059 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.750 21.065 -0.264 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.360 19.572 -2.198 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.231 21.688 -1.407 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.533 20.948 -2.371 1.00 0.00 C ATOM 0 H TRP B 440 -10.983 17.478 0.777 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.687 19.011 3.129 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.398 20.015 2.651 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.435 18.301 3.017 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.686 16.621 1.150 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.479 16.868 -1.108 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.285 21.653 0.466 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.826 18.992 -2.936 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.370 22.750 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.130 21.439 -3.244 1.00 0.00 H new ATOM 392 N ARG B 441 -12.283 20.281 0.281 1.00 0.00 N ATOM 393 CA ARG B 441 -12.846 21.455 -0.370 1.00 0.00 C ATOM 394 C ARG B 441 -14.219 21.782 0.201 1.00 0.00 C ATOM 395 O ARG B 441 -14.969 20.878 0.570 1.00 0.00 O ATOM 396 CB ARG B 441 -12.947 21.237 -1.882 1.00 0.00 C ATOM 397 CG ARG B 441 -11.562 21.215 -2.525 1.00 0.00 C ATOM 398 CD ARG B 441 -11.702 21.224 -4.047 1.00 0.00 C ATOM 399 NE ARG B 441 -10.392 21.235 -4.702 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.625 22.321 -4.827 1.00 0.00 C ATOM 401 NH1 ARG B 441 -10.034 23.501 -4.359 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.443 22.222 -5.425 1.00 0.00 N ATOM 0 H ARG B 441 -12.345 19.424 -0.269 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.180 22.297 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.461 20.297 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.547 22.030 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.985 22.080 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.016 20.328 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.264 20.347 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.273 22.099 -4.357 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.043 20.357 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.941 23.581 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.439 24.324 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.127 21.321 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.851 23.047 -5.525 1.00 0.00 H new ATOM 416 N ASN B 442 -14.548 23.074 0.267 1.00 0.00 N ATOM 417 CA ASN B 442 -15.868 23.533 0.680 1.00 0.00 C ATOM 418 C ASN B 442 -16.601 24.173 -0.500 1.00 0.00 C ATOM 419 O ASN B 442 -17.777 24.523 -0.385 1.00 0.00 O ATOM 420 CB ASN B 442 -15.729 24.509 1.851 1.00 0.00 C ATOM 421 CG ASN B 442 -15.148 23.833 3.086 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.361 22.642 3.311 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.409 24.585 3.894 1.00 0.00 N ATOM 0 H ASN B 442 -13.903 23.829 0.034 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.462 22.682 1.013 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.089 25.341 1.557 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.706 24.929 2.092 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -13.996 24.178 4.734 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.254 25.569 3.675 1.00 0.00 H new ATOM 430 N GLU B 443 -15.909 24.328 -1.628 1.00 0.00 N ATOM 431 CA GLU B 443 -16.481 24.885 -2.843 1.00 0.00 C ATOM 432 C GLU B 443 -15.972 24.117 -4.055 1.00 0.00 C ATOM 433 O GLU B 443 -14.939 23.451 -3.992 1.00 0.00 O ATOM 434 CB GLU B 443 -16.125 26.367 -2.976 1.00 0.00 C ATOM 435 CG GLU B 443 -16.650 27.179 -1.793 1.00 0.00 C ATOM 436 CD GLU B 443 -16.375 28.672 -1.976 1.00 0.00 C ATOM 437 OE1 GLU B 443 -16.857 29.448 -1.119 1.00 0.00 O ATOM 438 OE2 GLU B 443 -15.687 29.027 -2.963 1.00 0.00 O ATOM 0 H GLU B 443 -14.927 24.067 -1.720 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.566 24.793 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.043 26.477 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.543 26.761 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.722 27.015 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.180 26.831 -0.873 1.00 0.00 H new ATOM 445 N CYS B 444 -16.706 24.212 -5.167 1.00 0.00 N ATOM 446 CA CYS B 444 -16.366 23.504 -6.383 1.00 0.00 C ATOM 447 C CYS B 444 -15.036 24.003 -6.940 1.00 0.00 C ATOM 448 O CYS B 444 -14.706 25.187 -6.833 1.00 0.00 O ATOM 449 CB CYS B 444 -17.486 23.675 -7.402 1.00 0.00 C ATOM 450 SG CYS B 444 -17.065 22.734 -8.882 1.00 0.00 S ATOM 0 H CYS B 444 -17.548 24.783 -5.240 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.254 22.443 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.431 23.325 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.616 24.729 -7.648 1.00 0.00 H new ATOM 455 N ASN B 445 -14.273 23.090 -7.535 1.00 0.00 N ATOM 456 CA ASN B 445 -12.958 23.392 -8.070 1.00 0.00 C ATOM 457 C ASN B 445 -13.066 24.045 -9.450 1.00 0.00 C ATOM 458 O ASN B 445 -12.044 24.394 -10.041 1.00 0.00 O ATOM 459 CB ASN B 445 -12.176 22.083 -8.171 1.00 0.00 C ATOM 460 CG ASN B 445 -10.673 22.296 -8.063 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.209 23.393 -7.770 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.913 21.237 -8.296 1.00 0.00 N ATOM 0 H ASN B 445 -14.555 22.117 -7.658 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.447 24.094 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.502 21.406 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.404 21.599 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.898 21.314 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.343 20.344 -8.537 1.00 0.00 H new ATOM 469 N GLN B 446 -14.289 24.207 -9.970 1.00 0.00 N ATOM 470 CA GLN B 446 -14.480 24.656 -11.344 1.00 0.00 C ATOM 471 C GLN B 446 -15.533 25.752 -11.455 1.00 0.00 C ATOM 472 O GLN B 446 -15.436 26.615 -12.330 1.00 0.00 O ATOM 473 CB GLN B 446 -14.897 23.455 -12.193 1.00 0.00 C ATOM 474 CG GLN B 446 -13.914 22.297 -12.011 1.00 0.00 C ATOM 475 CD GLN B 446 -13.938 21.322 -13.184 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.684 21.495 -14.142 1.00 0.00 O ATOM 477 NE2 GLN B 446 -13.109 20.285 -13.111 1.00 0.00 N ATOM 0 H GLN B 446 -15.154 24.033 -9.458 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.540 25.079 -11.699 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.900 23.135 -11.911 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.938 23.742 -13.244 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.906 22.695 -11.894 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.154 21.762 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.503 20.173 -12.299 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -13.079 19.601 -13.867 1.00 0.00 H new ATOM 486 N CYS B 447 -16.537 25.725 -10.575 1.00 0.00 N ATOM 487 CA CYS B 447 -17.615 26.705 -10.588 1.00 0.00 C ATOM 488 C CYS B 447 -17.850 27.318 -9.204 1.00 0.00 C ATOM 489 O CYS B 447 -18.777 28.108 -9.028 1.00 0.00 O ATOM 490 CB CYS B 447 -18.885 26.056 -11.147 1.00 0.00 C ATOM 491 SG CYS B 447 -19.307 24.606 -10.155 1.00 0.00 S ATOM 0 H CYS B 447 -16.622 25.025 -9.838 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.327 27.531 -11.238 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.708 26.771 -11.134 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.731 25.766 -12.187 1.00 0.00 H new ATOM 496 N LYS B 448 -17.012 26.958 -8.224 1.00 0.00 N ATOM 497 CA LYS B 448 -17.060 27.513 -6.874 1.00 0.00 C ATOM 498 C LYS B 448 -18.424 27.346 -6.196 1.00 0.00 C ATOM 499 O LYS B 448 -18.722 28.043 -5.229 1.00 0.00 O ATOM 500 CB LYS B 448 -16.594 28.974 -6.882 1.00 0.00 C ATOM 501 CG LYS B 448 -15.102 29.048 -7.211 1.00 0.00 C ATOM 502 CD LYS B 448 -14.633 30.502 -7.297 1.00 0.00 C ATOM 503 CE LYS B 448 -14.940 31.271 -6.009 1.00 0.00 C ATOM 504 NZ LYS B 448 -14.296 30.651 -4.836 1.00 0.00 N ATOM 0 H LYS B 448 -16.275 26.265 -8.352 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.367 26.933 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.165 29.542 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.783 29.429 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.530 28.522 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -14.909 28.543 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -13.561 30.528 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -15.120 30.993 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -14.598 32.301 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -16.018 31.307 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -13.912 31.394 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -14.998 30.092 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -13.524 30.030 -5.152 1.00 0.00 H new ATOM 518 N ALA B 449 -19.256 26.430 -6.696 1.00 0.00 N ATOM 519 CA ALA B 449 -20.523 26.131 -6.049 1.00 0.00 C ATOM 520 C ALA B 449 -20.251 25.529 -4.670 1.00 0.00 C ATOM 521 O ALA B 449 -19.335 24.721 -4.526 1.00 0.00 O ATOM 522 CB ALA B 449 -21.330 25.166 -6.915 1.00 0.00 C ATOM 0 H ALA B 449 -19.072 25.889 -7.541 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.104 27.045 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.279 24.945 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.520 25.621 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.768 24.242 -7.051 1.00 0.00 H new ATOM 528 N PRO B 450 -21.030 25.908 -3.651 1.00 0.00 N ATOM 529 CA PRO B 450 -20.806 25.469 -2.283 1.00 0.00 C ATOM 530 C PRO B 450 -21.116 23.981 -2.124 1.00 0.00 C ATOM 531 O PRO B 450 -22.012 23.455 -2.785 1.00 0.00 O ATOM 532 CB PRO B 450 -21.743 26.323 -1.427 1.00 0.00 C ATOM 533 CG PRO B 450 -22.866 26.716 -2.389 1.00 0.00 C ATOM 534 CD PRO B 450 -22.169 26.795 -3.744 1.00 0.00 C ATOM 0 HA PRO B 450 -19.765 25.591 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.126 25.763 -0.574 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.232 27.200 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.667 25.977 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.314 27.670 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.839 26.489 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.854 27.815 -3.963 1.00 0.00 H new ATOM 542 N LYS B 451 -20.371 23.307 -1.243 1.00 0.00 N ATOM 543 CA LYS B 451 -20.634 21.913 -0.903 1.00 0.00 C ATOM 544 C LYS B 451 -21.975 21.789 -0.164 1.00 0.00 C ATOM 545 O LYS B 451 -22.835 21.028 -0.607 1.00 0.00 O ATOM 546 CB LYS B 451 -19.462 21.353 -0.089 1.00 0.00 C ATOM 547 CG LYS B 451 -19.740 19.931 0.413 1.00 0.00 C ATOM 548 CD LYS B 451 -19.036 19.686 1.751 1.00 0.00 C ATOM 549 CE LYS B 451 -17.563 20.073 1.645 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.847 19.830 2.911 1.00 0.00 N ATOM 0 H LYS B 451 -19.575 23.712 -0.751 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.718 21.318 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.562 21.351 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.266 22.006 0.761 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.814 19.783 0.528 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.396 19.205 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.518 20.268 2.537 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.125 18.637 2.031 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.093 19.502 0.845 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.481 21.126 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.299 20.676 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.534 19.621 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.203 19.022 2.796 1.00 0.00 H new ATOM 564 N PRO B 452 -22.173 22.518 0.949 1.00 0.00 N ATOM 565 CA PRO B 452 -23.459 22.604 1.614 1.00 0.00 C ATOM 566 C PRO B 452 -24.471 23.343 0.739 1.00 0.00 C ATOM 567 O PRO B 452 -24.111 23.921 -0.285 1.00 0.00 O ATOM 568 CB PRO B 452 -23.202 23.364 2.916 1.00 0.00 C ATOM 569 CG PRO B 452 -21.954 24.193 2.620 1.00 0.00 C ATOM 570 CD PRO B 452 -21.178 23.311 1.649 1.00 0.00 C ATOM 0 HA PRO B 452 -23.880 21.617 1.807 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.048 23.998 3.182 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.040 22.682 3.751 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.205 25.157 2.177 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.382 24.398 3.525 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.598 23.915 0.951 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.472 22.672 2.180 1.00 0.00 H new ATOM 578 N ASP B 453 -25.740 23.324 1.153 1.00 0.00 N ATOM 579 CA ASP B 453 -26.814 23.985 0.420 1.00 0.00 C ATOM 580 C ASP B 453 -26.736 25.510 0.481 1.00 0.00 C ATOM 581 O ASP B 453 -27.537 26.197 -0.149 1.00 0.00 O ATOM 582 CB ASP B 453 -28.172 23.478 0.917 1.00 0.00 C ATOM 583 CG ASP B 453 -28.419 22.010 0.558 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.459 21.483 1.014 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.576 21.434 -0.164 1.00 0.00 O ATOM 0 H ASP B 453 -26.048 22.851 2.003 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.694 23.725 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.227 23.598 1.999 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.964 24.092 0.488 1.00 0.00 H new ATOM 590 N GLY B 454 -25.776 26.046 1.246 1.00 0.00 N ATOM 591 CA GLY B 454 -25.588 27.484 1.383 1.00 0.00 C ATOM 592 C GLY B 454 -24.382 27.781 2.268 1.00 0.00 C ATOM 593 O GLY B 454 -23.439 28.416 1.750 1.00 0.00 O ATOM 0 H GLY B 454 -25.112 25.490 1.784 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.445 27.934 0.400 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.482 27.935 1.813 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.405 19.120 -0.305 1.00 0.00 O ATOM 599 C5' U A 1 -0.607 18.427 -1.004 1.00 0.00 C ATOM 600 C4' U A 1 -1.675 17.948 -0.022 1.00 0.00 C ATOM 601 O4' U A 1 -2.402 19.055 0.475 1.00 0.00 O ATOM 602 C3' U A 1 -2.689 17.073 -0.744 1.00 0.00 C ATOM 603 O3' U A 1 -3.382 16.270 0.191 1.00 0.00 O ATOM 604 C2' U A 1 -3.612 18.120 -1.342 1.00 0.00 C ATOM 605 O2' U A 1 -4.919 17.611 -1.493 1.00 0.00 O ATOM 606 C1' U A 1 -3.558 19.269 -0.328 1.00 0.00 C ATOM 607 N1 U A 1 -3.537 20.592 -1.015 1.00 0.00 N ATOM 608 C2 U A 1 -2.952 21.673 -0.356 1.00 0.00 C ATOM 609 O2 U A 1 -2.492 21.596 0.782 1.00 0.00 O ATOM 610 N3 U A 1 -2.905 22.868 -1.057 1.00 0.00 N ATOM 611 C4 U A 1 -3.424 23.093 -2.316 1.00 0.00 C ATOM 612 O4 U A 1 -3.334 24.201 -2.842 1.00 0.00 O ATOM 613 C5 U A 1 -4.057 21.938 -2.907 1.00 0.00 C ATOM 614 C6 U A 1 -4.098 20.750 -2.257 1.00 0.00 C ATOM 0 H5' U A 1 -0.179 17.576 -1.534 1.00 0.00 H new ATOM 0 H5'' U A 1 -1.055 19.078 -1.755 1.00 0.00 H new ATOM 0 H4' U A 1 -1.172 17.404 0.778 1.00 0.00 H new ATOM 0 H3' U A 1 -2.264 16.386 -1.476 1.00 0.00 H new ATOM 0 H2' U A 1 -3.313 18.437 -2.341 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.548 18.354 -1.609 1.00 0.00 H new ATOM 0 HO5' U A 1 1.089 19.425 -0.937 1.00 0.00 H new ATOM 0 H1' U A 1 -4.449 19.283 0.300 1.00 0.00 H new ATOM 0 H3 U A 1 -2.444 23.654 -0.600 1.00 0.00 H new ATOM 0 H5 U A 1 -4.506 22.023 -3.885 1.00 0.00 H new ATOM 0 H6 U A 1 -4.584 19.908 -2.727 1.00 0.00 H new ATOM 625 P G A 2 -2.822 14.823 0.611 1.00 0.00 P ATOM 626 OP1 G A 2 -3.589 14.354 1.789 1.00 0.00 O ATOM 627 OP2 G A 2 -1.343 14.886 0.674 1.00 0.00 O ATOM 628 O5' G A 2 -3.246 13.920 -0.650 1.00 0.00 O ATOM 629 C5' G A 2 -2.317 13.583 -1.660 1.00 0.00 C ATOM 630 C4' G A 2 -3.057 13.054 -2.892 1.00 0.00 C ATOM 631 O4' G A 2 -4.150 12.217 -2.519 1.00 0.00 O ATOM 632 C3' G A 2 -3.618 14.186 -3.749 1.00 0.00 C ATOM 633 O3' G A 2 -2.693 14.624 -4.725 1.00 0.00 O ATOM 634 C2' G A 2 -4.818 13.508 -4.388 1.00 0.00 C ATOM 635 O2' G A 2 -4.419 12.707 -5.484 1.00 0.00 O ATOM 636 C1' G A 2 -5.298 12.600 -3.267 1.00 0.00 C ATOM 637 N9 G A 2 -6.259 13.327 -2.415 1.00 0.00 N ATOM 638 C8 G A 2 -6.059 14.401 -1.587 1.00 0.00 C ATOM 639 N7 G A 2 -7.122 14.783 -0.939 1.00 0.00 N ATOM 640 C5 G A 2 -8.112 13.914 -1.394 1.00 0.00 C ATOM 641 C6 G A 2 -9.490 13.828 -1.050 1.00 0.00 C ATOM 642 O6 G A 2 -10.115 14.480 -0.216 1.00 0.00 O ATOM 643 N1 G A 2 -10.147 12.864 -1.796 1.00 0.00 N ATOM 644 C2 G A 2 -9.558 12.066 -2.742 1.00 0.00 C ATOM 645 N2 G A 2 -10.353 11.238 -3.414 1.00 0.00 N ATOM 646 N3 G A 2 -8.253 12.087 -3.021 1.00 0.00 N ATOM 647 C4 G A 2 -7.594 13.040 -2.319 1.00 0.00 C ATOM 0 H5' G A 2 -1.622 12.829 -1.290 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.725 14.458 -1.928 1.00 0.00 H new ATOM 0 H4' G A 2 -2.321 12.488 -3.463 1.00 0.00 H new ATOM 0 H3' G A 2 -3.856 15.088 -3.185 1.00 0.00 H new ATOM 0 H2' G A 2 -5.560 14.212 -4.764 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.506 12.946 -5.748 1.00 0.00 H new ATOM 0 H1' G A 2 -5.804 11.718 -3.660 1.00 0.00 H new ATOM 0 H8 G A 2 -5.101 14.889 -1.481 1.00 0.00 H new ATOM 0 H1 G A 2 -11.145 12.738 -1.629 1.00 0.00 H new ATOM 0 H21 G A 2 -9.962 10.624 -4.128 1.00 0.00 H new ATOM 0 H22 G A 2 -11.353 11.217 -3.215 1.00 0.00 H new ATOM 659 P G A 3 -2.885 16.039 -5.479 1.00 0.00 P ATOM 660 OP1 G A 3 -1.699 16.252 -6.340 1.00 0.00 O ATOM 661 OP2 G A 3 -3.233 17.056 -4.463 1.00 0.00 O ATOM 662 O5' G A 3 -4.174 15.815 -6.430 1.00 0.00 O ATOM 663 C5' G A 3 -4.100 15.025 -7.604 1.00 0.00 C ATOM 664 C4' G A 3 -4.590 15.823 -8.813 1.00 0.00 C ATOM 665 O4' G A 3 -5.961 16.162 -8.642 1.00 0.00 O ATOM 666 C3' G A 3 -3.787 17.121 -8.972 1.00 0.00 C ATOM 667 O3' G A 3 -3.495 17.389 -10.332 1.00 0.00 O ATOM 668 C2' G A 3 -4.753 18.170 -8.444 1.00 0.00 C ATOM 669 O2' G A 3 -4.558 19.428 -9.058 1.00 0.00 O ATOM 670 C1' G A 3 -6.106 17.563 -8.789 1.00 0.00 C ATOM 671 N9 G A 3 -7.172 18.098 -7.915 1.00 0.00 N ATOM 672 C8 G A 3 -7.139 19.216 -7.118 1.00 0.00 C ATOM 673 N7 G A 3 -8.249 19.440 -6.473 1.00 0.00 N ATOM 674 C5 G A 3 -9.084 18.404 -6.875 1.00 0.00 C ATOM 675 C6 G A 3 -10.431 18.119 -6.501 1.00 0.00 C ATOM 676 O6 G A 3 -11.156 18.740 -5.732 1.00 0.00 O ATOM 677 N1 G A 3 -10.910 16.981 -7.126 1.00 0.00 N ATOM 678 C2 G A 3 -10.182 16.202 -7.994 1.00 0.00 C ATOM 679 N2 G A 3 -10.804 15.132 -8.491 1.00 0.00 N ATOM 680 N3 G A 3 -8.922 16.459 -8.354 1.00 0.00 N ATOM 681 C4 G A 3 -8.433 17.573 -7.754 1.00 0.00 C ATOM 0 H5' G A 3 -4.704 14.126 -7.484 1.00 0.00 H new ATOM 0 H5'' G A 3 -3.073 14.699 -7.767 1.00 0.00 H new ATOM 0 H4' G A 3 -4.458 15.205 -9.701 1.00 0.00 H new ATOM 0 H3' G A 3 -2.826 17.088 -8.458 1.00 0.00 H new ATOM 0 H2' G A 3 -4.631 18.379 -7.381 1.00 0.00 H new ATOM 0 HO2' G A 3 -3.999 19.320 -9.856 1.00 0.00 H new ATOM 0 H1' G A 3 -6.404 17.816 -9.806 1.00 0.00 H new ATOM 0 H8 G A 3 -6.271 19.853 -7.033 1.00 0.00 H new ATOM 0 H1 G A 3 -11.871 16.700 -6.929 1.00 0.00 H new ATOM 0 H21 G A 3 -10.317 14.515 -9.140 1.00 0.00 H new ATOM 0 H22 G A 3 -11.767 14.931 -8.222 1.00 0.00 H new ATOM 693 P U A 4 -2.602 16.371 -11.207 1.00 0.00 P ATOM 694 OP1 U A 4 -1.799 15.532 -10.291 1.00 0.00 O ATOM 695 OP2 U A 4 -1.926 17.148 -12.274 1.00 0.00 O ATOM 696 O5' U A 4 -3.726 15.449 -11.891 1.00 0.00 O ATOM 697 C5' U A 4 -4.470 15.931 -12.987 1.00 0.00 C ATOM 698 C4' U A 4 -5.804 15.196 -13.064 1.00 0.00 C ATOM 699 O4' U A 4 -6.659 15.615 -12.017 1.00 0.00 O ATOM 700 C3' U A 4 -6.505 15.516 -14.379 1.00 0.00 C ATOM 701 O3' U A 4 -6.343 14.430 -15.269 1.00 0.00 O ATOM 702 C2' U A 4 -7.967 15.730 -13.987 1.00 0.00 C ATOM 703 O2' U A 4 -8.823 14.793 -14.610 1.00 0.00 O ATOM 704 C1' U A 4 -7.993 15.525 -12.472 1.00 0.00 C ATOM 705 N1 U A 4 -8.833 16.558 -11.828 1.00 0.00 N ATOM 706 C2 U A 4 -10.151 16.235 -11.533 1.00 0.00 C ATOM 707 O2 U A 4 -10.633 15.129 -11.781 1.00 0.00 O ATOM 708 N3 U A 4 -10.909 17.227 -10.935 1.00 0.00 N ATOM 709 C4 U A 4 -10.462 18.491 -10.588 1.00 0.00 C ATOM 710 O4 U A 4 -11.213 19.283 -10.024 1.00 0.00 O ATOM 711 C5 U A 4 -9.089 18.750 -10.950 1.00 0.00 C ATOM 712 C6 U A 4 -8.329 17.799 -11.545 1.00 0.00 C ATOM 0 H5' U A 4 -3.910 15.787 -13.911 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.639 17.003 -12.881 1.00 0.00 H new ATOM 0 H4' U A 4 -5.599 14.128 -12.986 1.00 0.00 H new ATOM 0 H3' U A 4 -6.106 16.392 -14.891 1.00 0.00 H new ATOM 0 H2' U A 4 -8.318 16.715 -14.296 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.825 14.945 -15.578 1.00 0.00 H new ATOM 0 H1' U A 4 -8.419 14.554 -12.219 1.00 0.00 H new ATOM 0 H3 U A 4 -11.884 17.007 -10.732 1.00 0.00 H new ATOM 0 H5 U A 4 -8.660 19.719 -10.743 1.00 0.00 H new ATOM 0 H6 U A 4 -7.304 18.025 -11.801 1.00 0.00 H new ATOM 723 P G A 5 -6.552 14.619 -16.856 1.00 0.00 P ATOM 724 OP1 G A 5 -5.487 15.512 -17.361 1.00 0.00 O ATOM 725 OP2 G A 5 -7.974 14.944 -17.115 1.00 0.00 O ATOM 726 O5' G A 5 -6.265 13.132 -17.404 1.00 0.00 O ATOM 727 C5' G A 5 -7.179 12.087 -17.150 1.00 0.00 C ATOM 728 C4' G A 5 -6.614 10.773 -17.693 1.00 0.00 C ATOM 729 O4' G A 5 -5.537 10.337 -16.876 1.00 0.00 O ATOM 730 C3' G A 5 -7.667 9.676 -17.618 1.00 0.00 C ATOM 731 O3' G A 5 -7.346 8.644 -18.529 1.00 0.00 O ATOM 732 C2' G A 5 -7.513 9.206 -16.180 1.00 0.00 C ATOM 733 O2' G A 5 -7.888 7.850 -16.031 1.00 0.00 O ATOM 734 C1' G A 5 -6.024 9.422 -15.902 1.00 0.00 C ATOM 735 N9 G A 5 -5.832 9.914 -14.519 1.00 0.00 N ATOM 736 C8 G A 5 -6.491 9.516 -13.385 1.00 0.00 C ATOM 737 N7 G A 5 -6.100 10.124 -12.300 1.00 0.00 N ATOM 738 C5 G A 5 -5.102 10.987 -12.744 1.00 0.00 C ATOM 739 C6 G A 5 -4.295 11.899 -12.007 1.00 0.00 C ATOM 740 O6 G A 5 -4.306 12.130 -10.799 1.00 0.00 O ATOM 741 N1 G A 5 -3.405 12.576 -12.827 1.00 0.00 N ATOM 742 C2 G A 5 -3.294 12.399 -14.184 1.00 0.00 C ATOM 743 N2 G A 5 -2.382 13.142 -14.810 1.00 0.00 N ATOM 744 N3 G A 5 -4.041 11.539 -14.883 1.00 0.00 N ATOM 745 C4 G A 5 -4.929 10.868 -14.101 1.00 0.00 C ATOM 0 H5' G A 5 -8.138 12.305 -17.621 1.00 0.00 H new ATOM 0 H5'' G A 5 -7.362 12.002 -16.079 1.00 0.00 H new ATOM 0 H4' G A 5 -6.296 10.950 -18.721 1.00 0.00 H new ATOM 0 H3' G A 5 -8.680 9.992 -17.868 1.00 0.00 H new ATOM 0 H2' G A 5 -8.155 9.744 -15.483 1.00 0.00 H new ATOM 0 HO2' G A 5 -7.679 7.551 -15.122 1.00 0.00 H new ATOM 0 HO3' G A 5 -7.346 7.783 -18.061 1.00 0.00 H new ATOM 0 H1' G A 5 -5.464 8.490 -15.978 1.00 0.00 H new ATOM 0 H8 G A 5 -7.266 8.764 -13.390 1.00 0.00 H new ATOM 0 H1 G A 5 -2.786 13.257 -12.389 1.00 0.00 H new ATOM 0 H21 G A 5 -2.256 13.052 -15.818 1.00 0.00 H new ATOM 0 H22 G A 5 -1.810 13.800 -14.281 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.786 22.713 -9.859 1.00 0.00 ZN