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= 0.0711 K(o=0.14,f=-0.9) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -129:sc= 0.0691 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.432 K(o=-0.042,f=-4.2!) USER MOD Set 2.2: B 437 ASN : amide:sc= -0.474 K(o=-0.042,f=-2.4) USER MOD Single : A 1 U O2' : rot 150:sc= 0.804 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -13:sc= -0.197 USER MOD Single : A 3 G O2' : rot 28:sc= 0.231 USER MOD Single : A 4 U O2' : rot -7:sc= 0.305 USER MOD Single : A 5 G O2' : rot 177:sc= 0 USER MOD Single : A 5 G O3' : rot 136:sc= 0.208 USER MOD Single : B 418 SER OG : rot 107:sc= 0.0444 USER MOD Single : B 420 GLN : amide:sc= 0.841 K(o=0.84,f=-5.4!) USER MOD Single : B 421 GLN : amide:sc= -1.13 K(o=-1.1,f=-3!) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.488 K(o=-0.49,f=-6.4!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 167:sc= -0.0258 (180deg=-0.582) USER MOD Single : B 439 SER OG : rot 180:sc= -0.0289 USER MOD Single : B 445 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.1!) USER MOD Single : B 446 GLN : amide:sc= 0.487 K(o=0.49,f=-1.2) USER MOD Single : B 448 LYS NZ :NH3+ 139:sc= 1.08 (180deg=0.0727) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -10.890 4.492 -16.915 1.00 0.00 N ATOM 2 CA GLY B 414 -9.954 5.371 -17.637 1.00 0.00 C ATOM 3 C GLY B 414 -9.080 6.160 -16.669 1.00 0.00 C ATOM 4 O GLY B 414 -9.432 6.310 -15.500 1.00 0.00 O ATOM 0 HA2 GLY B 414 -9.324 4.773 -18.295 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -10.513 6.060 -18.270 1.00 0.00 H new ATOM 10 N PRO B 415 -7.934 6.664 -17.149 1.00 0.00 N ATOM 11 CA PRO B 415 -6.988 7.428 -16.349 1.00 0.00 C ATOM 12 C PRO B 415 -7.528 8.826 -16.036 1.00 0.00 C ATOM 13 O PRO B 415 -6.980 9.519 -15.180 1.00 0.00 O ATOM 14 CB PRO B 415 -5.726 7.520 -17.207 1.00 0.00 C ATOM 15 CG PRO B 415 -6.250 7.416 -18.642 1.00 0.00 C ATOM 16 CD PRO B 415 -7.476 6.514 -18.517 1.00 0.00 C ATOM 0 HA PRO B 415 -6.800 6.952 -15.387 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -5.198 8.459 -17.041 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -5.027 6.716 -16.977 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -6.513 8.395 -19.044 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -5.504 6.987 -19.310 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -8.252 6.807 -19.224 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -7.223 5.476 -18.734 1.00 0.00 H new ATOM 24 N LEU B 416 -8.595 9.246 -16.723 1.00 0.00 N ATOM 25 CA LEU B 416 -9.200 10.556 -16.531 1.00 0.00 C ATOM 26 C LEU B 416 -9.812 10.662 -15.132 1.00 0.00 C ATOM 27 O LEU B 416 -10.241 9.660 -14.558 1.00 0.00 O ATOM 28 CB LEU B 416 -10.246 10.789 -17.628 1.00 0.00 C ATOM 29 CG LEU B 416 -10.964 12.134 -17.490 1.00 0.00 C ATOM 30 CD1 LEU B 416 -9.979 13.290 -17.672 1.00 0.00 C ATOM 31 CD2 LEU B 416 -12.047 12.237 -18.558 1.00 0.00 C ATOM 0 H LEU B 416 -9.062 8.679 -17.431 1.00 0.00 H new ATOM 0 HA LEU B 416 -8.438 11.332 -16.607 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -9.760 10.740 -18.603 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -10.982 9.985 -17.598 1.00 0.00 H new ATOM 0 HG LEU B 416 -11.404 12.194 -16.495 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -10.508 14.238 -17.571 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -9.199 13.226 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -9.527 13.231 -18.662 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -12.561 13.193 -18.464 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -11.592 12.166 -19.546 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -12.763 11.426 -18.429 1.00 0.00 H new ATOM 43 N GLY B 417 -9.857 11.880 -14.583 1.00 0.00 N ATOM 44 CA GLY B 417 -10.402 12.118 -13.254 1.00 0.00 C ATOM 45 C GLY B 417 -9.357 11.843 -12.176 1.00 0.00 C ATOM 46 O GLY B 417 -8.193 11.586 -12.482 1.00 0.00 O ATOM 0 H GLY B 417 -9.517 12.721 -15.049 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.746 13.150 -13.178 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -11.271 11.480 -13.094 1.00 0.00 H new ATOM 50 N SER B 418 -9.774 11.906 -10.908 1.00 0.00 N ATOM 51 CA SER B 418 -8.881 11.658 -9.784 1.00 0.00 C ATOM 52 C SER B 418 -8.472 10.191 -9.740 1.00 0.00 C ATOM 53 O SER B 418 -9.244 9.308 -10.115 1.00 0.00 O ATOM 54 CB SER B 418 -9.564 12.080 -8.483 1.00 0.00 C ATOM 55 OG SER B 418 -10.770 11.368 -8.306 1.00 0.00 O ATOM 0 H SER B 418 -10.732 12.129 -10.638 1.00 0.00 H new ATOM 0 HA SER B 418 -7.974 12.250 -9.908 1.00 0.00 H new ATOM 0 HB2 SER B 418 -8.899 11.896 -7.639 1.00 0.00 H new ATOM 0 HB3 SER B 418 -9.766 13.151 -8.502 1.00 0.00 H new ATOM 0 HG SER B 418 -10.653 10.696 -7.602 1.00 0.00 H new ATOM 61 N GLY B 419 -7.246 9.928 -9.278 1.00 0.00 N ATOM 62 CA GLY B 419 -6.703 8.577 -9.216 1.00 0.00 C ATOM 63 C GLY B 419 -7.024 7.885 -7.893 1.00 0.00 C ATOM 64 O GLY B 419 -6.588 6.755 -7.667 1.00 0.00 O ATOM 0 H GLY B 419 -6.607 10.647 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -7.106 7.987 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -5.622 8.615 -9.351 1.00 0.00 H new ATOM 68 N GLN B 420 -7.785 8.550 -7.014 1.00 0.00 N ATOM 69 CA GLN B 420 -8.100 8.021 -5.695 1.00 0.00 C ATOM 70 C GLN B 420 -9.533 8.371 -5.302 1.00 0.00 C ATOM 71 O GLN B 420 -10.177 9.204 -5.940 1.00 0.00 O ATOM 72 CB GLN B 420 -7.128 8.593 -4.655 1.00 0.00 C ATOM 73 CG GLN B 420 -5.675 8.217 -4.959 1.00 0.00 C ATOM 74 CD GLN B 420 -4.737 8.661 -3.844 1.00 0.00 C ATOM 75 OE1 GLN B 420 -5.172 9.181 -2.819 1.00 0.00 O ATOM 76 NE2 GLN B 420 -3.436 8.453 -4.038 1.00 0.00 N ATOM 0 H GLN B 420 -8.194 9.465 -7.203 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.000 6.936 -5.728 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -7.223 9.678 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.398 8.225 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.598 7.138 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -5.368 8.677 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -3.112 8.018 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -2.763 8.728 -3.322 1.00 0.00 H new ATOM 85 N GLN B 421 -10.022 7.727 -4.240 1.00 0.00 N ATOM 86 CA GLN B 421 -11.329 7.997 -3.665 1.00 0.00 C ATOM 87 C GLN B 421 -11.205 7.970 -2.145 1.00 0.00 C ATOM 88 O GLN B 421 -10.494 7.125 -1.601 1.00 0.00 O ATOM 89 CB GLN B 421 -12.341 6.968 -4.188 1.00 0.00 C ATOM 90 CG GLN B 421 -13.747 7.242 -3.641 1.00 0.00 C ATOM 91 CD GLN B 421 -13.976 6.633 -2.258 1.00 0.00 C ATOM 92 OE1 GLN B 421 -13.258 5.734 -1.834 1.00 0.00 O ATOM 93 NE2 GLN B 421 -14.989 7.125 -1.548 1.00 0.00 N ATOM 0 H GLN B 421 -9.508 6.993 -3.752 1.00 0.00 H new ATOM 0 HA GLN B 421 -11.691 8.982 -3.958 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.361 6.995 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -12.025 5.965 -3.900 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -13.908 8.319 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.486 6.842 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.566 7.873 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -15.189 6.754 -0.619 1.00 0.00 H new ATOM 102 N ARG B 422 -11.893 8.885 -1.456 1.00 0.00 N ATOM 103 CA ARG B 422 -11.786 9.003 -0.005 1.00 0.00 C ATOM 104 C ARG B 422 -13.135 9.356 0.610 1.00 0.00 C ATOM 105 O ARG B 422 -13.983 9.982 -0.027 1.00 0.00 O ATOM 106 CB ARG B 422 -10.738 10.064 0.363 1.00 0.00 C ATOM 107 CG ARG B 422 -9.365 9.754 -0.247 1.00 0.00 C ATOM 108 CD ARG B 422 -8.351 10.777 0.254 1.00 0.00 C ATOM 109 NE ARG B 422 -7.071 10.664 -0.455 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.945 11.245 -0.030 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.952 12.040 1.039 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.807 11.034 -0.676 1.00 0.00 N ATOM 0 H ARG B 422 -12.531 9.555 -1.885 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.470 8.040 0.397 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.075 11.041 0.018 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.648 10.123 1.448 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.050 8.747 0.028 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.422 9.784 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.752 11.782 0.123 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.189 10.636 1.323 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.039 10.115 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.823 12.210 1.542 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.087 12.478 1.354 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.791 10.429 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.947 11.477 -0.352 1.00 0.00 H new ATOM 126 N ALA B 423 -13.335 8.950 1.866 1.00 0.00 N ATOM 127 CA ALA B 423 -14.562 9.256 2.572 1.00 0.00 C ATOM 128 C ALA B 423 -14.704 10.770 2.720 1.00 0.00 C ATOM 129 O ALA B 423 -13.778 11.444 3.171 1.00 0.00 O ATOM 130 CB ALA B 423 -14.550 8.570 3.939 1.00 0.00 C ATOM 0 H ALA B 423 -12.659 8.410 2.406 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.417 8.884 2.007 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.474 8.801 4.470 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.469 7.491 3.804 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.699 8.928 4.518 1.00 0.00 H new ATOM 136 N GLY B 424 -15.866 11.300 2.338 1.00 0.00 N ATOM 137 CA GLY B 424 -16.151 12.722 2.427 1.00 0.00 C ATOM 138 C GLY B 424 -16.057 13.384 1.058 1.00 0.00 C ATOM 139 O GLY B 424 -16.398 14.559 0.922 1.00 0.00 O ATOM 0 H GLY B 424 -16.635 10.749 1.958 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -17.149 12.871 2.840 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.448 13.195 3.113 1.00 0.00 H new ATOM 143 N ASP B 425 -15.601 12.644 0.041 1.00 0.00 N ATOM 144 CA ASP B 425 -15.635 13.127 -1.334 1.00 0.00 C ATOM 145 C ASP B 425 -17.045 13.540 -1.744 1.00 0.00 C ATOM 146 O ASP B 425 -18.021 12.977 -1.250 1.00 0.00 O ATOM 147 CB ASP B 425 -15.094 12.060 -2.284 1.00 0.00 C ATOM 148 CG ASP B 425 -13.586 11.878 -2.176 1.00 0.00 C ATOM 149 OD1 ASP B 425 -13.087 10.949 -2.845 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.945 12.661 -1.437 1.00 0.00 O ATOM 0 H ASP B 425 -15.205 11.710 0.149 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.999 14.010 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.585 11.110 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.350 12.330 -3.309 1.00 0.00 H new ATOM 155 N TRP B 426 -17.162 14.519 -2.647 1.00 0.00 N ATOM 156 CA TRP B 426 -18.471 15.019 -3.035 1.00 0.00 C ATOM 157 C TRP B 426 -18.440 15.599 -4.446 1.00 0.00 C ATOM 158 O TRP B 426 -17.442 16.182 -4.862 1.00 0.00 O ATOM 159 CB TRP B 426 -18.919 16.059 -2.013 1.00 0.00 C ATOM 160 CG TRP B 426 -18.058 17.286 -1.915 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.915 17.391 -1.202 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.216 18.573 -2.592 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.378 18.649 -1.365 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.137 19.422 -2.218 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.187 19.123 -3.446 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.027 20.738 -2.669 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.081 20.443 -3.915 1.00 0.00 C ATOM 168 CH2 TRP B 426 -18.007 21.251 -3.525 1.00 0.00 C ATOM 0 H TRP B 426 -16.375 14.971 -3.113 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.188 14.198 -3.049 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.935 16.369 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.958 15.585 -1.032 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.487 16.607 -0.596 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.523 18.970 -0.910 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.031 18.520 -3.747 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.195 21.353 -2.361 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.834 20.837 -4.581 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.935 22.267 -3.884 1.00 0.00 H new ATOM 179 N LYS B 427 -19.544 15.431 -5.183 1.00 0.00 N ATOM 180 CA LYS B 427 -19.649 15.919 -6.551 1.00 0.00 C ATOM 181 C LYS B 427 -20.289 17.302 -6.558 1.00 0.00 C ATOM 182 O LYS B 427 -21.111 17.609 -5.697 1.00 0.00 O ATOM 183 CB LYS B 427 -20.479 14.937 -7.375 1.00 0.00 C ATOM 184 CG LYS B 427 -20.228 15.156 -8.869 1.00 0.00 C ATOM 185 CD LYS B 427 -21.295 14.453 -9.710 1.00 0.00 C ATOM 186 CE LYS B 427 -22.637 15.176 -9.555 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.692 14.511 -10.344 1.00 0.00 N ATOM 0 H LYS B 427 -20.381 14.956 -4.845 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.655 15.998 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.222 13.914 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.538 15.069 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.230 16.223 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.241 14.777 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -20.996 14.442 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.393 13.414 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.923 15.197 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.535 16.212 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.590 15.020 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.427 14.513 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.803 13.530 -10.018 1.00 0.00 H new ATOM 201 N CYS B 428 -19.917 18.134 -7.529 1.00 0.00 N ATOM 202 CA CYS B 428 -20.461 19.474 -7.660 1.00 0.00 C ATOM 203 C CYS B 428 -21.971 19.404 -7.908 1.00 0.00 C ATOM 204 O CYS B 428 -22.419 18.663 -8.785 1.00 0.00 O ATOM 205 CB CYS B 428 -19.747 20.180 -8.812 1.00 0.00 C ATOM 206 SG CYS B 428 -20.267 21.909 -8.866 1.00 0.00 S ATOM 0 H CYS B 428 -19.230 17.894 -8.244 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.301 20.038 -6.741 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.667 20.117 -8.679 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.981 19.688 -9.756 1.00 0.00 H new ATOM 211 N PRO B 429 -22.765 20.168 -7.141 1.00 0.00 N ATOM 212 CA PRO B 429 -24.212 20.188 -7.251 1.00 0.00 C ATOM 213 C PRO B 429 -24.674 20.937 -8.499 1.00 0.00 C ATOM 214 O PRO B 429 -25.839 20.834 -8.878 1.00 0.00 O ATOM 215 CB PRO B 429 -24.698 20.896 -5.986 1.00 0.00 C ATOM 216 CG PRO B 429 -23.541 21.826 -5.624 1.00 0.00 C ATOM 217 CD PRO B 429 -22.306 21.059 -6.092 1.00 0.00 C ATOM 0 HA PRO B 429 -24.616 19.180 -7.343 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.618 21.453 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.907 20.187 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.629 22.790 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.507 22.026 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.541 21.740 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.860 20.498 -5.271 1.00 0.00 H new ATOM 225 N ASN B 430 -23.775 21.691 -9.138 1.00 0.00 N ATOM 226 CA ASN B 430 -24.113 22.457 -10.327 1.00 0.00 C ATOM 227 C ASN B 430 -24.324 21.479 -11.489 1.00 0.00 C ATOM 228 O ASN B 430 -23.430 20.682 -11.781 1.00 0.00 O ATOM 229 CB ASN B 430 -22.952 23.409 -10.638 1.00 0.00 C ATOM 230 CG ASN B 430 -23.406 24.745 -11.204 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.576 24.932 -11.536 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.476 25.684 -11.318 1.00 0.00 N ATOM 0 H ASN B 430 -22.803 21.783 -8.844 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.023 23.038 -10.174 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.380 23.584 -9.727 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.279 22.930 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.720 26.601 -11.692 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.517 25.489 -11.031 1.00 0.00 H new ATOM 239 N PRO B 431 -25.482 21.521 -12.164 1.00 0.00 N ATOM 240 CA PRO B 431 -25.745 20.682 -13.323 1.00 0.00 C ATOM 241 C PRO B 431 -24.853 21.091 -14.497 1.00 0.00 C ATOM 242 O PRO B 431 -24.690 20.332 -15.447 1.00 0.00 O ATOM 243 CB PRO B 431 -27.225 20.900 -13.647 1.00 0.00 C ATOM 244 CG PRO B 431 -27.538 22.279 -13.065 1.00 0.00 C ATOM 245 CD PRO B 431 -26.612 22.378 -11.860 1.00 0.00 C ATOM 0 HA PRO B 431 -25.529 19.631 -13.129 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.406 20.871 -14.722 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.849 20.127 -13.198 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.343 23.072 -13.787 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.585 22.363 -12.774 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.291 23.407 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.117 22.053 -10.950 1.00 0.00 H new ATOM 253 N THR B 432 -24.276 22.296 -14.426 1.00 0.00 N ATOM 254 CA THR B 432 -23.338 22.786 -15.429 1.00 0.00 C ATOM 255 C THR B 432 -21.878 22.489 -15.086 1.00 0.00 C ATOM 256 O THR B 432 -20.974 22.949 -15.780 1.00 0.00 O ATOM 257 CB THR B 432 -23.572 24.277 -15.729 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.846 25.070 -14.815 1.00 0.00 O ATOM 259 CG2 THR B 432 -25.055 24.642 -15.631 1.00 0.00 C ATOM 0 H THR B 432 -24.450 22.956 -13.668 1.00 0.00 H new ATOM 0 HA THR B 432 -23.541 22.227 -16.343 1.00 0.00 H new ATOM 0 HB THR B 432 -23.232 24.466 -16.747 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.998 26.018 -15.012 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.184 25.702 -15.849 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.623 24.052 -16.350 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.416 24.432 -14.624 1.00 0.00 H new ATOM 267 N CYS B 433 -21.652 21.723 -14.014 1.00 0.00 N ATOM 268 CA CYS B 433 -20.314 21.410 -13.534 1.00 0.00 C ATOM 269 C CYS B 433 -20.131 19.900 -13.409 1.00 0.00 C ATOM 270 O CYS B 433 -19.369 19.301 -14.168 1.00 0.00 O ATOM 271 CB CYS B 433 -20.108 22.100 -12.182 1.00 0.00 C ATOM 272 SG CYS B 433 -18.412 21.853 -11.630 1.00 0.00 S ATOM 0 H CYS B 433 -22.397 21.305 -13.458 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.570 21.772 -14.244 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.321 23.165 -12.270 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.803 21.696 -11.446 1.00 0.00 H new ATOM 277 N GLU B 434 -20.833 19.298 -12.445 1.00 0.00 N ATOM 278 CA GLU B 434 -20.759 17.870 -12.151 1.00 0.00 C ATOM 279 C GLU B 434 -19.324 17.390 -11.911 1.00 0.00 C ATOM 280 O GLU B 434 -19.064 16.186 -11.942 1.00 0.00 O ATOM 281 CB GLU B 434 -21.456 17.060 -13.250 1.00 0.00 C ATOM 282 CG GLU B 434 -22.944 17.416 -13.296 1.00 0.00 C ATOM 283 CD GLU B 434 -23.702 16.565 -14.315 1.00 0.00 C ATOM 284 OE1 GLU B 434 -23.036 15.818 -15.066 1.00 0.00 O ATOM 285 OE2 GLU B 434 -24.950 16.671 -14.326 1.00 0.00 O ATOM 0 H GLU B 434 -21.480 19.801 -11.838 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.290 17.702 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.994 17.267 -14.215 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.334 15.994 -13.061 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.382 17.275 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.057 18.471 -13.547 1.00 0.00 H new ATOM 292 N ASN B 435 -18.385 18.312 -11.673 1.00 0.00 N ATOM 293 CA ASN B 435 -17.004 17.953 -11.378 1.00 0.00 C ATOM 294 C ASN B 435 -16.930 17.252 -10.026 1.00 0.00 C ATOM 295 O ASN B 435 -17.685 17.583 -9.113 1.00 0.00 O ATOM 296 CB ASN B 435 -16.141 19.215 -11.370 1.00 0.00 C ATOM 297 CG ASN B 435 -14.680 18.883 -11.109 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.078 18.087 -11.824 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.100 19.492 -10.082 1.00 0.00 N ATOM 0 H ASN B 435 -18.563 19.316 -11.680 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.632 17.273 -12.144 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.234 19.728 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.503 19.901 -10.604 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.121 19.305 -9.864 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.633 20.147 -9.510 1.00 0.00 H new ATOM 306 N MET B 436 -16.018 16.285 -9.887 1.00 0.00 N ATOM 307 CA MET B 436 -15.827 15.609 -8.618 1.00 0.00 C ATOM 308 C MET B 436 -14.863 16.425 -7.758 1.00 0.00 C ATOM 309 O MET B 436 -13.807 16.841 -8.240 1.00 0.00 O ATOM 310 CB MET B 436 -15.291 14.195 -8.863 1.00 0.00 C ATOM 311 CG MET B 436 -15.532 13.350 -7.614 1.00 0.00 C ATOM 312 SD MET B 436 -17.281 12.989 -7.339 1.00 0.00 S ATOM 313 CE MET B 436 -17.232 12.660 -5.567 1.00 0.00 C ATOM 0 H MET B 436 -15.408 15.960 -10.637 1.00 0.00 H new ATOM 0 HA MET B 436 -16.777 15.523 -8.090 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.789 13.747 -9.723 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.226 14.230 -9.094 1.00 0.00 H new ATOM 0 HG2 MET B 436 -14.982 12.413 -7.703 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.133 13.873 -6.745 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.248 12.644 -5.172 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.758 11.695 -5.389 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.660 13.442 -5.067 1.00 0.00 H new ATOM 323 N ASN B 437 -15.213 16.653 -6.493 1.00 0.00 N ATOM 324 CA ASN B 437 -14.417 17.483 -5.601 1.00 0.00 C ATOM 325 C ASN B 437 -13.926 16.678 -4.398 1.00 0.00 C ATOM 326 O ASN B 437 -14.623 15.785 -3.905 1.00 0.00 O ATOM 327 CB ASN B 437 -15.234 18.701 -5.162 1.00 0.00 C ATOM 328 CG ASN B 437 -15.703 19.514 -6.359 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.892 20.035 -7.121 1.00 0.00 O ATOM 330 ND2 ASN B 437 -17.018 19.628 -6.533 1.00 0.00 N ATOM 0 H ASN B 437 -16.054 16.268 -6.062 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.535 17.833 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.097 18.373 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.630 19.329 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.384 20.163 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.660 19.181 -5.878 1.00 0.00 H new ATOM 337 N PHE B 438 -12.720 17.003 -3.926 1.00 0.00 N ATOM 338 CA PHE B 438 -12.101 16.307 -2.812 1.00 0.00 C ATOM 339 C PHE B 438 -12.758 16.614 -1.468 1.00 0.00 C ATOM 340 O PHE B 438 -13.431 17.630 -1.317 1.00 0.00 O ATOM 341 CB PHE B 438 -10.589 16.554 -2.794 1.00 0.00 C ATOM 342 CG PHE B 438 -9.818 15.899 -3.931 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.234 14.671 -4.473 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.673 16.527 -4.447 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.507 14.075 -5.510 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.938 15.922 -5.476 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.359 14.700 -6.013 1.00 0.00 C ATOM 0 H PHE B 438 -12.151 17.757 -4.310 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.266 15.241 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.411 17.629 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.188 16.192 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.118 14.185 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.357 17.480 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.832 13.131 -5.923 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -7.046 16.399 -5.855 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.800 14.240 -6.814 1.00 0.00 H new ATOM 357 N SER B 439 -12.557 15.723 -0.492 1.00 0.00 N ATOM 358 CA SER B 439 -13.227 15.797 0.799 1.00 0.00 C ATOM 359 C SER B 439 -12.866 17.073 1.563 1.00 0.00 C ATOM 360 O SER B 439 -13.685 17.591 2.324 1.00 0.00 O ATOM 361 CB SER B 439 -12.844 14.566 1.621 1.00 0.00 C ATOM 362 OG SER B 439 -13.406 14.644 2.912 1.00 0.00 O ATOM 0 H SER B 439 -11.922 14.930 -0.581 1.00 0.00 H new ATOM 0 HA SER B 439 -14.303 15.822 0.628 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.192 13.663 1.120 1.00 0.00 H new ATOM 0 HB3 SER B 439 -11.759 14.492 1.693 1.00 0.00 H new ATOM 0 HG SER B 439 -13.154 13.849 3.427 1.00 0.00 H new ATOM 368 N TRP B 440 -11.649 17.583 1.370 1.00 0.00 N ATOM 369 CA TRP B 440 -11.188 18.758 2.094 1.00 0.00 C ATOM 370 C TRP B 440 -11.673 20.069 1.472 1.00 0.00 C ATOM 371 O TRP B 440 -11.516 21.125 2.078 1.00 0.00 O ATOM 372 CB TRP B 440 -9.665 18.727 2.221 1.00 0.00 C ATOM 373 CG TRP B 440 -8.915 18.454 0.956 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.493 17.243 0.533 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.541 19.388 -0.104 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.846 17.368 -0.676 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.844 18.674 -1.116 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.702 20.773 -0.292 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.318 19.301 -2.249 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.188 21.410 -1.431 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.492 20.682 -2.405 1.00 0.00 C ATOM 0 H TRP B 440 -10.967 17.197 0.717 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.628 18.723 3.091 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.332 19.685 2.620 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.395 17.966 2.953 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.641 16.314 1.064 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.421 16.591 -1.183 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.229 21.354 0.451 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.785 18.729 -2.994 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.330 22.473 -1.559 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.091 21.184 -3.273 1.00 0.00 H new ATOM 392 N ARG B 441 -12.260 20.011 0.269 1.00 0.00 N ATOM 393 CA ARG B 441 -12.824 21.201 -0.363 1.00 0.00 C ATOM 394 C ARG B 441 -14.193 21.519 0.227 1.00 0.00 C ATOM 395 O ARG B 441 -14.924 20.615 0.632 1.00 0.00 O ATOM 396 CB ARG B 441 -12.931 21.013 -1.878 1.00 0.00 C ATOM 397 CG ARG B 441 -11.550 21.002 -2.525 1.00 0.00 C ATOM 398 CD ARG B 441 -11.702 21.044 -4.045 1.00 0.00 C ATOM 399 NE ARG B 441 -10.396 21.066 -4.710 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.627 22.154 -4.825 1.00 0.00 C ATOM 401 NH1 ARG B 441 -10.041 23.328 -4.353 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.442 22.064 -5.414 1.00 0.00 N ATOM 0 H ARG B 441 -12.354 19.156 -0.280 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.155 22.039 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.447 20.078 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.531 21.816 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.969 21.858 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.004 20.107 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.269 20.175 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.273 21.927 -4.331 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.051 20.194 -5.111 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.951 23.403 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.448 24.153 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.120 21.167 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.853 22.892 -5.504 1.00 0.00 H new ATOM 416 N ASN B 442 -14.536 22.807 0.270 1.00 0.00 N ATOM 417 CA ASN B 442 -15.855 23.263 0.685 1.00 0.00 C ATOM 418 C ASN B 442 -16.583 23.919 -0.489 1.00 0.00 C ATOM 419 O ASN B 442 -17.752 24.286 -0.368 1.00 0.00 O ATOM 420 CB ASN B 442 -15.719 24.236 1.859 1.00 0.00 C ATOM 421 CG ASN B 442 -15.167 23.543 3.096 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.369 22.347 3.298 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.460 24.292 3.936 1.00 0.00 N ATOM 0 H ASN B 442 -13.901 23.564 0.016 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.446 22.407 1.011 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.061 25.058 1.577 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.692 24.670 2.088 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.065 23.877 4.780 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.312 25.281 3.736 1.00 0.00 H new ATOM 430 N GLU B 443 -15.891 24.064 -1.620 1.00 0.00 N ATOM 431 CA GLU B 443 -16.453 24.644 -2.831 1.00 0.00 C ATOM 432 C GLU B 443 -15.960 23.882 -4.054 1.00 0.00 C ATOM 433 O GLU B 443 -14.948 23.185 -3.999 1.00 0.00 O ATOM 434 CB GLU B 443 -16.062 26.120 -2.957 1.00 0.00 C ATOM 435 CG GLU B 443 -16.573 26.942 -1.768 1.00 0.00 C ATOM 436 CD GLU B 443 -16.269 28.428 -1.948 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.574 28.767 -2.935 1.00 0.00 O ATOM 438 OE2 GLU B 443 -16.735 29.213 -1.091 1.00 0.00 O ATOM 0 H GLU B 443 -14.917 23.778 -1.718 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.539 24.571 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.977 26.206 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.468 26.527 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.648 26.799 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.110 26.583 -0.849 1.00 0.00 H new ATOM 445 N CYS B 444 -16.684 24.019 -5.165 1.00 0.00 N ATOM 446 CA CYS B 444 -16.344 23.347 -6.404 1.00 0.00 C ATOM 447 C CYS B 444 -15.006 23.853 -6.929 1.00 0.00 C ATOM 448 O CYS B 444 -14.649 25.016 -6.726 1.00 0.00 O ATOM 449 CB CYS B 444 -17.462 23.573 -7.420 1.00 0.00 C ATOM 450 SG CYS B 444 -17.065 22.688 -8.947 1.00 0.00 S ATOM 0 H CYS B 444 -17.520 24.600 -5.224 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.244 22.276 -6.228 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.412 23.221 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.577 24.638 -7.622 1.00 0.00 H new ATOM 455 N ASN B 445 -14.268 22.977 -7.604 1.00 0.00 N ATOM 456 CA ASN B 445 -12.941 23.289 -8.105 1.00 0.00 C ATOM 457 C ASN B 445 -13.042 23.912 -9.498 1.00 0.00 C ATOM 458 O ASN B 445 -12.017 24.170 -10.128 1.00 0.00 O ATOM 459 CB ASN B 445 -12.136 21.991 -8.150 1.00 0.00 C ATOM 460 CG ASN B 445 -10.639 22.236 -8.049 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.191 23.342 -7.751 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.855 21.193 -8.294 1.00 0.00 N ATOM 0 H ASN B 445 -14.578 22.029 -7.818 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.445 24.008 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.452 21.342 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.354 21.463 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.841 21.293 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.266 20.292 -8.538 1.00 0.00 H new ATOM 469 N GLN B 446 -14.267 24.149 -9.982 1.00 0.00 N ATOM 470 CA GLN B 446 -14.480 24.585 -11.355 1.00 0.00 C ATOM 471 C GLN B 446 -15.516 25.703 -11.446 1.00 0.00 C ATOM 472 O GLN B 446 -15.414 26.566 -12.316 1.00 0.00 O ATOM 473 CB GLN B 446 -14.955 23.381 -12.175 1.00 0.00 C ATOM 474 CG GLN B 446 -13.954 22.226 -12.123 1.00 0.00 C ATOM 475 CD GLN B 446 -12.664 22.552 -12.865 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.611 23.486 -13.663 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.612 21.783 -12.603 1.00 0.00 N ATOM 0 H GLN B 446 -15.123 24.044 -9.437 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.541 24.979 -11.743 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.920 23.043 -11.798 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.106 23.684 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.725 21.992 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.407 21.335 -12.558 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.694 21.017 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.723 21.959 -13.070 1.00 0.00 H new ATOM 486 N CYS B 447 -16.509 25.692 -10.555 1.00 0.00 N ATOM 487 CA CYS B 447 -17.571 26.690 -10.550 1.00 0.00 C ATOM 488 C CYS B 447 -17.778 27.292 -9.155 1.00 0.00 C ATOM 489 O CYS B 447 -18.673 28.117 -8.969 1.00 0.00 O ATOM 490 CB CYS B 447 -18.857 26.063 -11.096 1.00 0.00 C ATOM 491 SG CYS B 447 -19.330 24.657 -10.060 1.00 0.00 S ATOM 0 H CYS B 447 -16.596 24.991 -9.819 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.281 27.517 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.657 26.803 -11.111 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.706 25.736 -12.125 1.00 0.00 H new ATOM 496 N LYS B 448 -16.953 26.881 -8.182 1.00 0.00 N ATOM 497 CA LYS B 448 -16.986 27.408 -6.818 1.00 0.00 C ATOM 498 C LYS B 448 -18.350 27.253 -6.148 1.00 0.00 C ATOM 499 O LYS B 448 -18.628 27.936 -5.161 1.00 0.00 O ATOM 500 CB LYS B 448 -16.488 28.857 -6.794 1.00 0.00 C ATOM 501 CG LYS B 448 -14.997 28.910 -7.131 1.00 0.00 C ATOM 502 CD LYS B 448 -14.497 30.358 -7.173 1.00 0.00 C ATOM 503 CE LYS B 448 -14.763 31.094 -5.856 1.00 0.00 C ATOM 504 NZ LYS B 448 -14.132 30.412 -4.710 1.00 0.00 N ATOM 0 H LYS B 448 -16.239 26.167 -8.325 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.304 26.803 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.051 29.455 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.661 29.292 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.432 28.347 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -14.821 28.432 -8.095 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -13.428 30.367 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.987 30.888 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -14.383 32.113 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -15.838 31.165 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -13.715 31.119 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -14.849 29.862 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -13.387 29.773 -5.054 1.00 0.00 H new ATOM 518 N ALA B 449 -19.204 26.364 -6.664 1.00 0.00 N ATOM 519 CA ALA B 449 -20.475 26.072 -6.020 1.00 0.00 C ATOM 520 C ALA B 449 -20.202 25.429 -4.660 1.00 0.00 C ATOM 521 O ALA B 449 -19.297 24.604 -4.548 1.00 0.00 O ATOM 522 CB ALA B 449 -21.298 25.143 -6.912 1.00 0.00 C ATOM 0 H ALA B 449 -19.034 25.839 -7.522 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.044 26.989 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.250 24.924 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.480 25.627 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.751 24.214 -7.073 1.00 0.00 H new ATOM 528 N PRO B 450 -20.964 25.793 -3.621 1.00 0.00 N ATOM 529 CA PRO B 450 -20.742 25.313 -2.272 1.00 0.00 C ATOM 530 C PRO B 450 -21.078 23.829 -2.156 1.00 0.00 C ATOM 531 O PRO B 450 -21.972 23.333 -2.841 1.00 0.00 O ATOM 532 CB PRO B 450 -21.652 26.156 -1.380 1.00 0.00 C ATOM 533 CG PRO B 450 -22.777 26.602 -2.316 1.00 0.00 C ATOM 534 CD PRO B 450 -22.091 26.705 -3.679 1.00 0.00 C ATOM 0 HA PRO B 450 -19.696 25.410 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.037 25.576 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.120 27.010 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.595 25.881 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.200 27.558 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.775 26.432 -4.483 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.760 27.725 -3.875 1.00 0.00 H new ATOM 542 N LYS B 451 -20.358 23.124 -1.274 1.00 0.00 N ATOM 543 CA LYS B 451 -20.647 21.730 -0.973 1.00 0.00 C ATOM 544 C LYS B 451 -21.996 21.603 -0.255 1.00 0.00 C ATOM 545 O LYS B 451 -22.861 20.866 -0.729 1.00 0.00 O ATOM 546 CB LYS B 451 -19.489 21.134 -0.158 1.00 0.00 C ATOM 547 CG LYS B 451 -19.789 19.704 0.312 1.00 0.00 C ATOM 548 CD LYS B 451 -19.082 19.413 1.639 1.00 0.00 C ATOM 549 CE LYS B 451 -17.602 19.774 1.535 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.887 19.484 2.789 1.00 0.00 N ATOM 0 H LYS B 451 -19.567 23.507 -0.757 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.732 21.161 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.583 21.133 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.293 21.766 0.708 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.865 19.572 0.430 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.462 18.991 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.548 19.985 2.441 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.190 18.359 1.894 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.147 19.215 0.718 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.500 20.832 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.348 20.323 3.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.573 19.236 3.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.235 18.688 2.641 1.00 0.00 H new ATOM 564 N PRO B 452 -22.197 22.304 0.877 1.00 0.00 N ATOM 565 CA PRO B 452 -23.493 22.395 1.531 1.00 0.00 C ATOM 566 C PRO B 452 -24.481 23.183 0.671 1.00 0.00 C ATOM 567 O PRO B 452 -24.102 23.786 -0.331 1.00 0.00 O ATOM 568 CB PRO B 452 -23.237 23.108 2.864 1.00 0.00 C ATOM 569 CG PRO B 452 -21.974 23.922 2.603 1.00 0.00 C ATOM 570 CD PRO B 452 -21.198 23.058 1.612 1.00 0.00 C ATOM 0 HA PRO B 452 -23.935 21.410 1.684 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.075 23.747 3.143 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.094 22.397 3.677 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.206 24.902 2.186 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.408 24.091 3.519 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.601 23.674 0.940 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.509 22.392 2.131 1.00 0.00 H new ATOM 578 N ASP B 453 -25.754 23.172 1.075 1.00 0.00 N ATOM 579 CA ASP B 453 -26.818 23.877 0.369 1.00 0.00 C ATOM 580 C ASP B 453 -26.735 25.398 0.531 1.00 0.00 C ATOM 581 O ASP B 453 -27.527 26.127 -0.065 1.00 0.00 O ATOM 582 CB ASP B 453 -28.184 23.349 0.820 1.00 0.00 C ATOM 583 CG ASP B 453 -28.421 21.898 0.388 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.464 21.347 0.804 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.569 21.354 -0.350 1.00 0.00 O ATOM 0 H ASP B 453 -26.073 22.671 1.904 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.688 23.678 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.257 23.419 1.905 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.970 23.981 0.406 1.00 0.00 H new ATOM 590 N GLY B 454 -25.781 25.877 1.336 1.00 0.00 N ATOM 591 CA GLY B 454 -25.602 27.302 1.576 1.00 0.00 C ATOM 592 C GLY B 454 -24.431 27.538 2.518 1.00 0.00 C ATOM 593 O GLY B 454 -24.576 27.187 3.711 1.00 0.00 O ATOM 0 H GLY B 454 -25.116 25.286 1.835 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.427 27.817 0.632 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.512 27.722 2.004 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.349 18.695 0.182 1.00 0.00 O ATOM 599 C5' U A 1 -0.555 18.131 -0.742 1.00 0.00 C ATOM 600 C4' U A 1 -1.745 17.531 0.010 1.00 0.00 C ATOM 601 O4' U A 1 -2.550 18.577 0.542 1.00 0.00 O ATOM 602 C3' U A 1 -2.635 16.759 -0.953 1.00 0.00 C ATOM 603 O3' U A 1 -3.424 15.837 -0.229 1.00 0.00 O ATOM 604 C2' U A 1 -3.495 17.879 -1.518 1.00 0.00 C ATOM 605 O2' U A 1 -4.721 17.391 -2.020 1.00 0.00 O ATOM 606 C1' U A 1 -3.678 18.792 -0.304 1.00 0.00 C ATOM 607 N1 U A 1 -3.807 20.225 -0.689 1.00 0.00 N ATOM 608 C2 U A 1 -3.602 21.186 0.296 1.00 0.00 C ATOM 609 O2 U A 1 -3.364 20.897 1.469 1.00 0.00 O ATOM 610 N3 U A 1 -3.680 22.507 -0.106 1.00 0.00 N ATOM 611 C4 U A 1 -3.984 22.953 -1.378 1.00 0.00 C ATOM 612 O4 U A 1 -4.031 24.159 -1.624 1.00 0.00 O ATOM 613 C5 U A 1 -4.229 21.895 -2.331 1.00 0.00 C ATOM 614 C6 U A 1 -4.139 20.593 -1.972 1.00 0.00 C ATOM 0 H5' U A 1 -0.057 17.360 -1.330 1.00 0.00 H new ATOM 0 H5'' U A 1 -0.900 18.893 -1.441 1.00 0.00 H new ATOM 0 H4' U A 1 -1.355 16.883 0.795 1.00 0.00 H new ATOM 0 H3' U A 1 -2.107 16.180 -1.711 1.00 0.00 H new ATOM 0 H2' U A 1 -3.050 18.391 -2.371 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.411 18.081 -1.927 1.00 0.00 H new ATOM 0 HO5' U A 1 1.112 19.078 -0.299 1.00 0.00 H new ATOM 0 H1' U A 1 -4.607 18.550 0.213 1.00 0.00 H new ATOM 0 H3 U A 1 -3.496 23.218 0.602 1.00 0.00 H new ATOM 0 H5 U A 1 -4.489 22.148 -3.348 1.00 0.00 H new ATOM 0 H6 U A 1 -4.332 19.827 -2.708 1.00 0.00 H new ATOM 625 P G A 2 -2.888 14.352 0.081 1.00 0.00 P ATOM 626 OP1 G A 2 -3.671 13.805 1.215 1.00 0.00 O ATOM 627 OP2 G A 2 -1.411 14.385 0.156 1.00 0.00 O ATOM 628 O5' G A 2 -3.317 13.557 -1.249 1.00 0.00 O ATOM 629 C5' G A 2 -2.425 13.379 -2.328 1.00 0.00 C ATOM 630 C4' G A 2 -3.210 12.947 -3.566 1.00 0.00 C ATOM 631 O4' G A 2 -4.280 12.074 -3.221 1.00 0.00 O ATOM 632 C3' G A 2 -3.817 14.138 -4.302 1.00 0.00 C ATOM 633 O3' G A 2 -2.930 14.657 -5.273 1.00 0.00 O ATOM 634 C2' G A 2 -5.062 13.524 -4.921 1.00 0.00 C ATOM 635 O2' G A 2 -4.756 12.829 -6.115 1.00 0.00 O ATOM 636 C1' G A 2 -5.470 12.524 -3.854 1.00 0.00 C ATOM 637 N9 G A 2 -6.371 13.183 -2.881 1.00 0.00 N ATOM 638 C8 G A 2 -6.110 14.205 -2.002 1.00 0.00 C ATOM 639 N7 G A 2 -7.131 14.544 -1.268 1.00 0.00 N ATOM 640 C5 G A 2 -8.151 13.706 -1.707 1.00 0.00 C ATOM 641 C6 G A 2 -9.508 13.601 -1.275 1.00 0.00 C ATOM 642 O6 G A 2 -10.075 14.220 -0.377 1.00 0.00 O ATOM 643 N1 G A 2 -10.206 12.659 -2.007 1.00 0.00 N ATOM 644 C2 G A 2 -9.675 11.907 -3.032 1.00 0.00 C ATOM 645 N2 G A 2 -10.508 11.099 -3.678 1.00 0.00 N ATOM 646 N3 G A 2 -8.396 11.956 -3.404 1.00 0.00 N ATOM 647 C4 G A 2 -7.694 12.880 -2.704 1.00 0.00 C ATOM 0 H5' G A 2 -1.677 12.627 -2.076 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.889 14.307 -2.529 1.00 0.00 H new ATOM 0 H4' G A 2 -2.492 12.439 -4.210 1.00 0.00 H new ATOM 0 H3' G A 2 -4.033 14.993 -3.662 1.00 0.00 H new ATOM 0 H2' G A 2 -5.820 14.262 -5.184 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.852 13.066 -6.409 1.00 0.00 H new ATOM 0 H1' G A 2 -6.005 11.677 -4.284 1.00 0.00 H new ATOM 0 H8 G A 2 -5.145 14.684 -1.926 1.00 0.00 H new ATOM 0 H1 G A 2 -11.187 12.509 -1.771 1.00 0.00 H new ATOM 0 H21 G A 2 -10.165 10.521 -4.445 1.00 0.00 H new ATOM 0 H22 G A 2 -11.490 11.057 -3.407 1.00 0.00 H new ATOM 659 P G A 3 -3.131 16.143 -5.873 1.00 0.00 P ATOM 660 OP1 G A 3 -1.898 16.496 -6.612 1.00 0.00 O ATOM 661 OP2 G A 3 -3.596 17.020 -4.776 1.00 0.00 O ATOM 662 O5' G A 3 -4.329 16.000 -6.942 1.00 0.00 O ATOM 663 C5' G A 3 -4.163 15.251 -8.129 1.00 0.00 C ATOM 664 C4' G A 3 -4.787 15.983 -9.320 1.00 0.00 C ATOM 665 O4' G A 3 -6.154 16.273 -9.053 1.00 0.00 O ATOM 666 C3' G A 3 -4.066 17.312 -9.570 1.00 0.00 C ATOM 667 O3' G A 3 -4.046 17.645 -10.948 1.00 0.00 O ATOM 668 C2' G A 3 -4.967 18.292 -8.840 1.00 0.00 C ATOM 669 O2' G A 3 -4.844 19.602 -9.360 1.00 0.00 O ATOM 670 C1' G A 3 -6.335 17.677 -9.100 1.00 0.00 C ATOM 671 N9 G A 3 -7.337 18.123 -8.114 1.00 0.00 N ATOM 672 C8 G A 3 -7.226 19.100 -7.155 1.00 0.00 C ATOM 673 N7 G A 3 -8.314 19.281 -6.457 1.00 0.00 N ATOM 674 C5 G A 3 -9.211 18.358 -6.991 1.00 0.00 C ATOM 675 C6 G A 3 -10.563 18.087 -6.647 1.00 0.00 C ATOM 676 O6 G A 3 -11.243 18.609 -5.768 1.00 0.00 O ATOM 677 N1 G A 3 -11.116 17.104 -7.448 1.00 0.00 N ATOM 678 C2 G A 3 -10.447 16.432 -8.441 1.00 0.00 C ATOM 679 N2 G A 3 -11.138 15.500 -9.101 1.00 0.00 N ATOM 680 N3 G A 3 -9.173 16.668 -8.768 1.00 0.00 N ATOM 681 C4 G A 3 -8.616 17.641 -8.004 1.00 0.00 C ATOM 0 H5' G A 3 -4.626 14.271 -8.015 1.00 0.00 H new ATOM 0 H5'' G A 3 -3.102 15.083 -8.314 1.00 0.00 H new ATOM 0 H4' G A 3 -4.697 15.338 -10.194 1.00 0.00 H new ATOM 0 H3' G A 3 -3.026 17.299 -9.245 1.00 0.00 H new ATOM 0 H2' G A 3 -4.740 18.420 -7.782 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.586 19.556 -10.304 1.00 0.00 H new ATOM 0 H1' G A 3 -6.721 17.993 -10.069 1.00 0.00 H new ATOM 0 H8 G A 3 -6.321 19.667 -6.993 1.00 0.00 H new ATOM 0 H1 G A 3 -12.094 16.860 -7.289 1.00 0.00 H new ATOM 0 H21 G A 3 -10.692 14.969 -9.849 1.00 0.00 H new ATOM 0 H22 G A 3 -12.112 15.319 -8.857 1.00 0.00 H new ATOM 693 P U A 4 -3.338 16.705 -12.053 1.00 0.00 P ATOM 694 OP1 U A 4 -2.611 15.615 -11.361 1.00 0.00 O ATOM 695 OP2 U A 4 -2.621 17.580 -13.008 1.00 0.00 O ATOM 696 O5' U A 4 -4.617 16.079 -12.811 1.00 0.00 O ATOM 697 C5' U A 4 -4.892 14.697 -12.784 1.00 0.00 C ATOM 698 C4' U A 4 -6.334 14.473 -13.235 1.00 0.00 C ATOM 699 O4' U A 4 -7.235 15.074 -12.319 1.00 0.00 O ATOM 700 C3' U A 4 -6.606 15.072 -14.622 1.00 0.00 C ATOM 701 O3' U A 4 -6.815 14.066 -15.593 1.00 0.00 O ATOM 702 C2' U A 4 -7.872 15.907 -14.422 1.00 0.00 C ATOM 703 O2' U A 4 -8.842 15.636 -15.416 1.00 0.00 O ATOM 704 C1' U A 4 -8.375 15.482 -13.050 1.00 0.00 C ATOM 705 N1 U A 4 -9.076 16.601 -12.376 1.00 0.00 N ATOM 706 C2 U A 4 -10.445 16.475 -12.165 1.00 0.00 C ATOM 707 O2 U A 4 -11.069 15.463 -12.482 1.00 0.00 O ATOM 708 N3 U A 4 -11.076 17.552 -11.572 1.00 0.00 N ATOM 709 C4 U A 4 -10.465 18.718 -11.149 1.00 0.00 C ATOM 710 O4 U A 4 -11.126 19.609 -10.616 1.00 0.00 O ATOM 711 C5 U A 4 -9.041 18.763 -11.393 1.00 0.00 C ATOM 712 C6 U A 4 -8.400 17.726 -11.984 1.00 0.00 C ATOM 0 H5' U A 4 -4.746 14.303 -11.778 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.204 14.162 -13.439 1.00 0.00 H new ATOM 0 H4' U A 4 -6.482 13.394 -13.277 1.00 0.00 H new ATOM 0 H3' U A 4 -5.764 15.659 -14.989 1.00 0.00 H new ATOM 0 H2' U A 4 -7.674 16.976 -14.494 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.456 15.046 -16.097 1.00 0.00 H new ATOM 0 H1' U A 4 -9.098 14.670 -13.126 1.00 0.00 H new ATOM 0 H3 U A 4 -12.084 17.480 -11.434 1.00 0.00 H new ATOM 0 H5 U A 4 -8.479 19.637 -11.099 1.00 0.00 H new ATOM 0 H6 U A 4 -7.335 17.788 -12.149 1.00 0.00 H new ATOM 723 P G A 5 -5.596 13.182 -16.166 1.00 0.00 P ATOM 724 OP1 G A 5 -6.117 12.328 -17.258 1.00 0.00 O ATOM 725 OP2 G A 5 -4.887 12.563 -15.029 1.00 0.00 O ATOM 726 O5' G A 5 -4.630 14.290 -16.820 1.00 0.00 O ATOM 727 C5' G A 5 -5.003 14.965 -18.004 1.00 0.00 C ATOM 728 C4' G A 5 -3.880 15.913 -18.426 1.00 0.00 C ATOM 729 O4' G A 5 -2.775 15.171 -18.907 1.00 0.00 O ATOM 730 C3' G A 5 -4.329 16.775 -19.594 1.00 0.00 C ATOM 731 O3' G A 5 -3.527 17.940 -19.656 1.00 0.00 O ATOM 732 C2' G A 5 -4.075 15.855 -20.782 1.00 0.00 C ATOM 733 O2' G A 5 -3.699 16.586 -21.934 1.00 0.00 O ATOM 734 C1' G A 5 -2.944 14.945 -20.298 1.00 0.00 C ATOM 735 N9 G A 5 -3.267 13.526 -20.587 1.00 0.00 N ATOM 736 C8 G A 5 -3.895 13.011 -21.691 1.00 0.00 C ATOM 737 N7 G A 5 -4.044 11.716 -21.666 1.00 0.00 N ATOM 738 C5 G A 5 -3.462 11.338 -20.457 1.00 0.00 C ATOM 739 C6 G A 5 -3.309 10.041 -19.885 1.00 0.00 C ATOM 740 O6 G A 5 -3.676 8.957 -20.335 1.00 0.00 O ATOM 741 N1 G A 5 -2.651 10.091 -18.664 1.00 0.00 N ATOM 742 C2 G A 5 -2.192 11.241 -18.068 1.00 0.00 C ATOM 743 N2 G A 5 -1.575 11.102 -16.895 1.00 0.00 N ATOM 744 N3 G A 5 -2.330 12.459 -18.598 1.00 0.00 N ATOM 745 C4 G A 5 -2.976 12.437 -19.793 1.00 0.00 C ATOM 0 H5' G A 5 -5.924 15.525 -17.841 1.00 0.00 H new ATOM 0 H5'' G A 5 -5.203 14.245 -18.798 1.00 0.00 H new ATOM 0 H4' G A 5 -3.620 16.516 -17.556 1.00 0.00 H new ATOM 0 H3' G A 5 -5.360 17.124 -19.539 1.00 0.00 H new ATOM 0 H2' G A 5 -4.963 15.298 -21.081 1.00 0.00 H new ATOM 0 HO2' G A 5 -3.496 15.964 -22.664 1.00 0.00 H new ATOM 0 HO3' G A 5 -3.270 18.111 -20.586 1.00 0.00 H new ATOM 0 H1' G A 5 -2.013 15.170 -20.819 1.00 0.00 H new ATOM 0 H8 G A 5 -4.237 13.625 -22.511 1.00 0.00 H new ATOM 0 H1 G A 5 -2.497 9.210 -18.173 1.00 0.00 H new ATOM 0 H21 G A 5 -1.214 11.922 -16.408 1.00 0.00 H new ATOM 0 H22 G A 5 -1.464 10.175 -16.484 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.804 22.744 -9.904 1.00 0.00 ZN