USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=12 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= 0.249 K(o=0.51,f=-1.3) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -132:sc= 0.265 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 1.4 K(o=1.7,f=-3.9!) USER MOD Set 2.2: B 437 ASN : amide:sc= 0.292 K(o=1.7,f=-4.7!) USER MOD Single : A 1 U O2' : rot -91:sc= 0.799 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 160:sc= -0.396 USER MOD Single : A 3 G O2' : rot -46:sc= 0.501 USER MOD Single : A 4 U O2' : rot -14:sc= 0.229 USER MOD Single : A 5 G O2' : rot 180:sc= 0 USER MOD Single : A 5 G O3' : rot 134:sc= 0.227 USER MOD Single : B 418 SER OG : rot -19:sc= 0.178 USER MOD Single : B 420 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.5) USER MOD Single : B 421 GLN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.334 K(o=-0.33,f=-6.2!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 166:sc= -0.132 (180deg=-0.936) USER MOD Single : B 439 SER OG : rot -68:sc= 1.15 USER MOD Single : B 445 ASN : amide:sc= 0.446 K(o=0.45,f=-1.9!) USER MOD Single : B 446 GLN : amide:sc=-0.00365 K(o=-0.0036,f=-1) USER MOD Single : B 448 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -9.755 13.642 -17.588 1.00 0.00 N ATOM 2 CA GLY B 414 -9.659 14.142 -16.204 1.00 0.00 C ATOM 3 C GLY B 414 -8.306 13.804 -15.587 1.00 0.00 C ATOM 4 O GLY B 414 -7.524 13.062 -16.180 1.00 0.00 O ATOM 0 HA2 GLY B 414 -9.806 15.222 -16.194 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -10.456 13.706 -15.601 1.00 0.00 H new ATOM 10 N PRO B 415 -8.027 14.348 -14.393 1.00 0.00 N ATOM 11 CA PRO B 415 -6.792 14.114 -13.667 1.00 0.00 C ATOM 12 C PRO B 415 -6.738 12.681 -13.148 1.00 0.00 C ATOM 13 O PRO B 415 -7.765 12.018 -13.012 1.00 0.00 O ATOM 14 CB PRO B 415 -6.802 15.120 -12.513 1.00 0.00 C ATOM 15 CG PRO B 415 -8.289 15.402 -12.283 1.00 0.00 C ATOM 16 CD PRO B 415 -8.914 15.235 -13.666 1.00 0.00 C ATOM 0 HA PRO B 415 -5.915 14.243 -14.301 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -6.331 14.709 -11.620 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -6.258 16.029 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -8.721 14.707 -11.563 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -8.449 16.406 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -9.917 14.813 -13.594 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -9.008 16.196 -14.172 1.00 0.00 H new ATOM 24 N LEU B 416 -5.527 12.201 -12.853 1.00 0.00 N ATOM 25 CA LEU B 416 -5.337 10.851 -12.335 1.00 0.00 C ATOM 26 C LEU B 416 -5.891 10.737 -10.912 1.00 0.00 C ATOM 27 O LEU B 416 -6.122 9.632 -10.426 1.00 0.00 O ATOM 28 CB LEU B 416 -3.846 10.499 -12.352 1.00 0.00 C ATOM 29 CG LEU B 416 -3.248 10.604 -13.761 1.00 0.00 C ATOM 30 CD1 LEU B 416 -1.756 10.300 -13.686 1.00 0.00 C ATOM 31 CD2 LEU B 416 -3.911 9.603 -14.712 1.00 0.00 C ATOM 0 H LEU B 416 -4.663 12.732 -12.966 1.00 0.00 H new ATOM 0 HA LEU B 416 -5.879 10.150 -12.970 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -3.308 11.167 -11.679 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -3.708 9.486 -11.974 1.00 0.00 H new ATOM 0 HG LEU B 416 -3.419 11.612 -14.140 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -1.320 10.372 -14.682 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -1.271 11.018 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -1.609 9.292 -13.297 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -3.470 9.697 -15.704 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -3.756 8.590 -14.340 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -4.980 9.809 -14.769 1.00 0.00 H new ATOM 43 N GLY B 417 -6.107 11.876 -10.246 1.00 0.00 N ATOM 44 CA GLY B 417 -6.669 11.904 -8.902 1.00 0.00 C ATOM 45 C GLY B 417 -8.174 11.639 -8.927 1.00 0.00 C ATOM 46 O GLY B 417 -8.773 11.386 -7.885 1.00 0.00 O ATOM 0 H GLY B 417 -5.896 12.799 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -6.175 11.155 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -6.475 12.874 -8.444 1.00 0.00 H new ATOM 50 N SER B 418 -8.791 11.693 -10.110 1.00 0.00 N ATOM 51 CA SER B 418 -10.221 11.456 -10.253 1.00 0.00 C ATOM 52 C SER B 418 -10.538 9.964 -10.139 1.00 0.00 C ATOM 53 O SER B 418 -11.694 9.589 -9.941 1.00 0.00 O ATOM 54 CB SER B 418 -10.690 12.007 -11.603 1.00 0.00 C ATOM 55 OG SER B 418 -12.091 11.864 -11.728 1.00 0.00 O ATOM 0 H SER B 418 -8.313 11.901 -10.987 1.00 0.00 H new ATOM 0 HA SER B 418 -10.751 11.969 -9.451 1.00 0.00 H new ATOM 0 HB2 SER B 418 -10.415 13.058 -11.690 1.00 0.00 H new ATOM 0 HB3 SER B 418 -10.189 11.478 -12.414 1.00 0.00 H new ATOM 0 HG SER B 418 -12.409 11.191 -11.091 1.00 0.00 H new ATOM 61 N GLY B 419 -9.516 9.111 -10.264 1.00 0.00 N ATOM 62 CA GLY B 419 -9.682 7.671 -10.128 1.00 0.00 C ATOM 63 C GLY B 419 -9.620 7.247 -8.662 1.00 0.00 C ATOM 64 O GLY B 419 -9.991 6.122 -8.327 1.00 0.00 O ATOM 0 H GLY B 419 -8.559 9.403 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -10.638 7.370 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -8.903 7.157 -10.692 1.00 0.00 H new ATOM 68 N GLN B 420 -9.153 8.143 -7.785 1.00 0.00 N ATOM 69 CA GLN B 420 -9.061 7.879 -6.357 1.00 0.00 C ATOM 70 C GLN B 420 -10.412 8.126 -5.688 1.00 0.00 C ATOM 71 O GLN B 420 -11.311 8.713 -6.289 1.00 0.00 O ATOM 72 CB GLN B 420 -7.984 8.776 -5.736 1.00 0.00 C ATOM 73 CG GLN B 420 -6.629 8.588 -6.430 1.00 0.00 C ATOM 74 CD GLN B 420 -6.098 7.165 -6.294 1.00 0.00 C ATOM 75 OE1 GLN B 420 -6.529 6.407 -5.429 1.00 0.00 O ATOM 76 NE2 GLN B 420 -5.157 6.795 -7.157 1.00 0.00 N ATOM 0 H GLN B 420 -8.829 9.072 -8.053 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.786 6.836 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -8.291 9.819 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.886 8.547 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -6.728 8.837 -7.487 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -5.906 9.285 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -4.824 7.453 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -4.768 5.853 -7.114 1.00 0.00 H new ATOM 85 N GLN B 421 -10.553 7.681 -4.436 1.00 0.00 N ATOM 86 CA GLN B 421 -11.758 7.903 -3.655 1.00 0.00 C ATOM 87 C GLN B 421 -11.403 7.972 -2.169 1.00 0.00 C ATOM 88 O GLN B 421 -10.565 7.209 -1.691 1.00 0.00 O ATOM 89 CB GLN B 421 -12.774 6.791 -3.946 1.00 0.00 C ATOM 90 CG GLN B 421 -14.084 7.008 -3.179 1.00 0.00 C ATOM 91 CD GLN B 421 -14.050 6.436 -1.763 1.00 0.00 C ATOM 92 OE1 GLN B 421 -13.205 5.613 -1.429 1.00 0.00 O ATOM 93 NE2 GLN B 421 -14.981 6.874 -0.919 1.00 0.00 N ATOM 0 H GLN B 421 -9.831 7.157 -3.942 1.00 0.00 H new ATOM 0 HA GLN B 421 -12.214 8.853 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.980 6.756 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -12.347 5.826 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.296 8.076 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.902 6.547 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.669 7.559 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -15.006 6.524 0.039 1.00 0.00 H new ATOM 102 N ARG B 422 -12.048 8.890 -1.440 1.00 0.00 N ATOM 103 CA ARG B 422 -11.858 9.040 0.000 1.00 0.00 C ATOM 104 C ARG B 422 -13.182 9.401 0.666 1.00 0.00 C ATOM 105 O ARG B 422 -14.057 10.013 0.048 1.00 0.00 O ATOM 106 CB ARG B 422 -10.807 10.116 0.294 1.00 0.00 C ATOM 107 CG ARG B 422 -9.435 9.765 -0.284 1.00 0.00 C ATOM 108 CD ARG B 422 -8.418 10.800 0.200 1.00 0.00 C ATOM 109 NE ARG B 422 -7.128 10.653 -0.481 1.00 0.00 N ATOM 110 CZ ARG B 422 -6.008 11.246 -0.058 1.00 0.00 C ATOM 111 NH1 ARG B 422 -6.031 12.085 0.972 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.853 10.998 -0.669 1.00 0.00 N ATOM 0 H ARG B 422 -12.717 9.550 -1.837 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.504 8.092 0.406 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.140 11.068 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.720 10.250 1.372 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.136 8.766 0.032 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.475 9.756 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.809 11.803 0.027 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.276 10.695 1.276 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.083 10.071 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.911 12.283 1.449 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.169 12.531 1.285 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.822 10.355 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.998 11.451 -0.346 1.00 0.00 H new ATOM 126 N ALA B 423 -13.330 9.019 1.935 1.00 0.00 N ATOM 127 CA ALA B 423 -14.544 9.318 2.680 1.00 0.00 C ATOM 128 C ALA B 423 -14.697 10.828 2.812 1.00 0.00 C ATOM 129 O ALA B 423 -13.792 11.510 3.298 1.00 0.00 O ATOM 130 CB ALA B 423 -14.478 8.652 4.055 1.00 0.00 C ATOM 0 H ALA B 423 -12.625 8.504 2.463 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.412 8.927 2.150 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.388 8.877 4.612 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.385 7.573 3.933 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.615 9.031 4.602 1.00 0.00 H new ATOM 136 N GLY B 424 -15.846 11.353 2.380 1.00 0.00 N ATOM 137 CA GLY B 424 -16.143 12.773 2.452 1.00 0.00 C ATOM 138 C GLY B 424 -16.090 13.426 1.074 1.00 0.00 C ATOM 139 O GLY B 424 -16.453 14.592 0.942 1.00 0.00 O ATOM 0 H GLY B 424 -16.596 10.796 1.970 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -17.132 12.917 2.886 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.429 13.262 3.115 1.00 0.00 H new ATOM 143 N ASP B 425 -15.639 12.687 0.049 1.00 0.00 N ATOM 144 CA ASP B 425 -15.666 13.172 -1.320 1.00 0.00 C ATOM 145 C ASP B 425 -17.077 13.571 -1.749 1.00 0.00 C ATOM 146 O ASP B 425 -18.050 12.993 -1.272 1.00 0.00 O ATOM 147 CB ASP B 425 -15.078 12.129 -2.266 1.00 0.00 C ATOM 148 CG ASP B 425 -13.562 12.011 -2.143 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.967 12.819 -1.400 1.00 0.00 O ATOM 150 OD2 ASP B 425 -13.005 11.106 -2.802 1.00 0.00 O ATOM 0 H ASP B 425 -15.252 11.749 0.153 1.00 0.00 H new ATOM 0 HA ASP B 425 -15.049 14.069 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.532 11.160 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.336 12.389 -3.293 1.00 0.00 H new ATOM 155 N TRP B 426 -17.190 14.553 -2.646 1.00 0.00 N ATOM 156 CA TRP B 426 -18.500 15.065 -3.020 1.00 0.00 C ATOM 157 C TRP B 426 -18.487 15.646 -4.431 1.00 0.00 C ATOM 158 O TRP B 426 -17.530 16.304 -4.832 1.00 0.00 O ATOM 159 CB TRP B 426 -18.930 16.111 -1.995 1.00 0.00 C ATOM 160 CG TRP B 426 -18.060 17.328 -1.904 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.916 17.427 -1.194 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.208 18.618 -2.579 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.371 18.685 -1.351 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.129 19.464 -2.197 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.175 19.176 -3.435 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.009 20.783 -2.649 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.065 20.497 -3.895 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.989 21.299 -3.505 1.00 0.00 C ATOM 0 H TRP B 426 -16.403 15.000 -3.117 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.219 14.246 -3.024 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.945 16.430 -2.232 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.965 15.638 -1.014 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.490 16.638 -0.592 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.513 18.999 -0.897 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.018 18.576 -3.744 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.173 21.394 -2.342 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.819 20.898 -4.557 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.914 22.315 -3.863 1.00 0.00 H new ATOM 179 N LYS B 427 -19.562 15.395 -5.186 1.00 0.00 N ATOM 180 CA LYS B 427 -19.685 15.887 -6.549 1.00 0.00 C ATOM 181 C LYS B 427 -20.307 17.281 -6.545 1.00 0.00 C ATOM 182 O LYS B 427 -21.120 17.592 -5.675 1.00 0.00 O ATOM 183 CB LYS B 427 -20.545 14.916 -7.361 1.00 0.00 C ATOM 184 CG LYS B 427 -20.304 15.140 -8.857 1.00 0.00 C ATOM 185 CD LYS B 427 -21.383 14.451 -9.693 1.00 0.00 C ATOM 186 CE LYS B 427 -22.717 15.180 -9.514 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.777 14.544 -10.313 1.00 0.00 N ATOM 0 H LYS B 427 -20.362 14.849 -4.866 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.698 15.954 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.301 13.888 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.599 15.065 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.298 16.208 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.323 14.754 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.096 14.450 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.483 13.409 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.999 15.177 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.608 16.223 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.671 15.057 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.516 14.569 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.894 13.556 -10.011 1.00 0.00 H new ATOM 201 N CYS B 428 -19.926 18.114 -7.515 1.00 0.00 N ATOM 202 CA CYS B 428 -20.444 19.460 -7.638 1.00 0.00 C ATOM 203 C CYS B 428 -21.959 19.416 -7.893 1.00 0.00 C ATOM 204 O CYS B 428 -22.409 18.686 -8.779 1.00 0.00 O ATOM 205 CB CYS B 428 -19.710 20.174 -8.770 1.00 0.00 C ATOM 206 SG CYS B 428 -20.225 21.904 -8.816 1.00 0.00 S ATOM 0 H CYS B 428 -19.247 17.865 -8.235 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.279 20.012 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.633 20.107 -8.620 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.929 19.692 -9.723 1.00 0.00 H new ATOM 211 N PRO B 429 -22.749 20.184 -7.126 1.00 0.00 N ATOM 212 CA PRO B 429 -24.196 20.202 -7.242 1.00 0.00 C ATOM 213 C PRO B 429 -24.650 20.945 -8.501 1.00 0.00 C ATOM 214 O PRO B 429 -25.811 20.845 -8.893 1.00 0.00 O ATOM 215 CB PRO B 429 -24.682 20.923 -5.985 1.00 0.00 C ATOM 216 CG PRO B 429 -23.522 21.846 -5.618 1.00 0.00 C ATOM 217 CD PRO B 429 -22.288 21.073 -6.077 1.00 0.00 C ATOM 0 HA PRO B 429 -24.604 19.195 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.596 21.486 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.903 20.220 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.602 22.809 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.493 22.047 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.518 21.749 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.849 20.511 -5.253 1.00 0.00 H new ATOM 225 N ASN B 430 -23.741 21.693 -9.136 1.00 0.00 N ATOM 226 CA ASN B 430 -24.063 22.448 -10.337 1.00 0.00 C ATOM 227 C ASN B 430 -24.236 21.462 -11.499 1.00 0.00 C ATOM 228 O ASN B 430 -23.327 20.675 -11.771 1.00 0.00 O ATOM 229 CB ASN B 430 -22.910 23.417 -10.630 1.00 0.00 C ATOM 230 CG ASN B 430 -23.382 24.777 -11.120 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.554 24.978 -11.416 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.455 25.721 -11.208 1.00 0.00 N ATOM 0 H ASN B 430 -22.772 21.787 -8.830 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.984 23.016 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.316 23.550 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.254 22.975 -11.380 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.707 26.655 -11.532 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.490 25.513 -10.952 1.00 0.00 H new ATOM 239 N PRO B 431 -25.383 21.485 -12.195 1.00 0.00 N ATOM 240 CA PRO B 431 -25.636 20.607 -13.325 1.00 0.00 C ATOM 241 C PRO B 431 -24.737 20.976 -14.504 1.00 0.00 C ATOM 242 O PRO B 431 -24.566 20.177 -15.425 1.00 0.00 O ATOM 243 CB PRO B 431 -27.114 20.800 -13.671 1.00 0.00 C ATOM 244 CG PRO B 431 -27.439 22.196 -13.138 1.00 0.00 C ATOM 245 CD PRO B 431 -26.515 22.355 -11.936 1.00 0.00 C ATOM 0 HA PRO B 431 -25.418 19.565 -13.089 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.284 20.733 -14.746 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.737 20.038 -13.202 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.253 22.964 -13.889 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.487 22.280 -12.850 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.195 23.391 -11.822 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.022 22.074 -11.013 1.00 0.00 H new ATOM 253 N THR B 432 -24.167 22.182 -14.478 1.00 0.00 N ATOM 254 CA THR B 432 -23.225 22.639 -15.494 1.00 0.00 C ATOM 255 C THR B 432 -21.768 22.337 -15.142 1.00 0.00 C ATOM 256 O THR B 432 -20.862 22.675 -15.902 1.00 0.00 O ATOM 257 CB THR B 432 -23.441 24.124 -15.815 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.747 24.916 -14.875 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.923 24.495 -15.777 1.00 0.00 C ATOM 0 H THR B 432 -24.348 22.870 -13.747 1.00 0.00 H new ATOM 0 HA THR B 432 -23.434 22.064 -16.396 1.00 0.00 H new ATOM 0 HB THR B 432 -23.064 24.307 -16.821 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.884 25.864 -15.082 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.039 25.554 -16.009 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.466 23.901 -16.512 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.323 24.295 -14.783 1.00 0.00 H new ATOM 267 N CYS B 433 -21.548 21.697 -13.988 1.00 0.00 N ATOM 268 CA CYS B 433 -20.218 21.399 -13.485 1.00 0.00 C ATOM 269 C CYS B 433 -20.023 19.890 -13.335 1.00 0.00 C ATOM 270 O CYS B 433 -19.250 19.285 -14.073 1.00 0.00 O ATOM 271 CB CYS B 433 -20.035 22.110 -12.143 1.00 0.00 C ATOM 272 SG CYS B 433 -18.352 21.859 -11.551 1.00 0.00 S ATOM 0 H CYS B 433 -22.299 21.372 -13.378 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.468 21.755 -14.191 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.237 23.175 -12.254 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.749 21.724 -11.415 1.00 0.00 H new ATOM 277 N GLU B 434 -20.734 19.296 -12.370 1.00 0.00 N ATOM 278 CA GLU B 434 -20.646 17.875 -12.053 1.00 0.00 C ATOM 279 C GLU B 434 -19.207 17.405 -11.795 1.00 0.00 C ATOM 280 O GLU B 434 -18.937 16.205 -11.844 1.00 0.00 O ATOM 281 CB GLU B 434 -21.334 17.042 -13.137 1.00 0.00 C ATOM 282 CG GLU B 434 -22.820 17.398 -13.202 1.00 0.00 C ATOM 283 CD GLU B 434 -23.577 16.514 -14.197 1.00 0.00 C ATOM 284 OE1 GLU B 434 -22.906 15.755 -14.934 1.00 0.00 O ATOM 285 OE2 GLU B 434 -24.825 16.608 -14.211 1.00 0.00 O ATOM 0 H GLU B 434 -21.396 19.801 -11.781 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.176 17.721 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.864 17.227 -14.103 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.215 15.980 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.262 17.291 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -22.930 18.444 -13.489 1.00 0.00 H new ATOM 292 N ASN B 435 -18.282 18.330 -11.520 1.00 0.00 N ATOM 293 CA ASN B 435 -16.907 17.964 -11.196 1.00 0.00 C ATOM 294 C ASN B 435 -16.878 17.201 -9.875 1.00 0.00 C ATOM 295 O ASN B 435 -17.604 17.546 -8.943 1.00 0.00 O ATOM 296 CB ASN B 435 -16.047 19.227 -11.102 1.00 0.00 C ATOM 297 CG ASN B 435 -14.582 18.882 -10.853 1.00 0.00 C ATOM 298 OD1 ASN B 435 -13.964 18.170 -11.639 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.021 19.385 -9.757 1.00 0.00 N ATOM 0 H ASN B 435 -18.463 19.334 -11.516 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.505 17.323 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.136 19.800 -12.025 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.416 19.862 -10.296 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.044 19.183 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.568 19.973 -9.128 1.00 0.00 H new ATOM 306 N MET B 436 -16.045 16.162 -9.787 1.00 0.00 N ATOM 307 CA MET B 436 -15.924 15.390 -8.560 1.00 0.00 C ATOM 308 C MET B 436 -14.902 16.062 -7.648 1.00 0.00 C ATOM 309 O MET B 436 -13.703 15.978 -7.901 1.00 0.00 O ATOM 310 CB MET B 436 -15.500 13.960 -8.900 1.00 0.00 C ATOM 311 CG MET B 436 -15.684 13.080 -7.668 1.00 0.00 C ATOM 312 SD MET B 436 -17.423 12.759 -7.280 1.00 0.00 S ATOM 313 CE MET B 436 -17.311 12.733 -5.477 1.00 0.00 C ATOM 0 H MET B 436 -15.449 15.841 -10.550 1.00 0.00 H new ATOM 0 HA MET B 436 -16.882 15.350 -8.041 1.00 0.00 H new ATOM 0 HB2 MET B 436 -16.097 13.577 -9.728 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.459 13.943 -9.223 1.00 0.00 H new ATOM 0 HG2 MET B 436 -15.172 12.131 -7.827 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.209 13.559 -6.812 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.312 12.796 -5.049 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.836 11.806 -5.155 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.717 13.582 -5.137 1.00 0.00 H new ATOM 323 N ASN B 437 -15.367 16.723 -6.586 1.00 0.00 N ATOM 324 CA ASN B 437 -14.496 17.487 -5.704 1.00 0.00 C ATOM 325 C ASN B 437 -13.976 16.631 -4.554 1.00 0.00 C ATOM 326 O ASN B 437 -14.664 15.722 -4.081 1.00 0.00 O ATOM 327 CB ASN B 437 -15.251 18.707 -5.174 1.00 0.00 C ATOM 328 CG ASN B 437 -15.768 19.581 -6.306 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.997 20.065 -7.130 1.00 0.00 O ATOM 330 ND2 ASN B 437 -17.079 19.788 -6.349 1.00 0.00 N ATOM 0 H ASN B 437 -16.351 16.741 -6.318 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.629 17.820 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.087 18.378 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.592 19.293 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.480 20.368 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.685 19.367 -5.645 1.00 0.00 H new ATOM 337 N PHE B 438 -12.755 16.927 -4.100 1.00 0.00 N ATOM 338 CA PHE B 438 -12.130 16.235 -2.985 1.00 0.00 C ATOM 339 C PHE B 438 -12.797 16.538 -1.641 1.00 0.00 C ATOM 340 O PHE B 438 -13.438 17.579 -1.485 1.00 0.00 O ATOM 341 CB PHE B 438 -10.622 16.505 -2.960 1.00 0.00 C ATOM 342 CG PHE B 438 -9.823 15.859 -4.081 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.222 14.628 -4.634 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.667 16.490 -4.562 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.460 14.033 -5.649 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.895 15.885 -5.563 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.293 14.659 -6.112 1.00 0.00 C ATOM 0 H PHE B 438 -12.173 17.661 -4.504 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.279 15.167 -3.145 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.463 17.583 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.224 16.157 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.117 14.141 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.370 17.447 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.772 13.091 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -6.992 16.364 -5.912 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.703 14.197 -6.890 1.00 0.00 H new ATOM 357 N SER B 439 -12.639 15.632 -0.677 1.00 0.00 N ATOM 358 CA SER B 439 -13.328 15.711 0.606 1.00 0.00 C ATOM 359 C SER B 439 -12.948 16.959 1.393 1.00 0.00 C ATOM 360 O SER B 439 -13.754 17.462 2.177 1.00 0.00 O ATOM 361 CB SER B 439 -12.987 14.471 1.435 1.00 0.00 C ATOM 362 OG SER B 439 -11.601 14.437 1.712 1.00 0.00 O ATOM 0 H SER B 439 -12.027 14.821 -0.766 1.00 0.00 H new ATOM 0 HA SER B 439 -14.398 15.762 0.404 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.552 14.481 2.367 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.280 13.571 0.894 1.00 0.00 H new ATOM 0 HG SER B 439 -11.105 14.286 0.880 1.00 0.00 H new ATOM 368 N TRP B 440 -11.729 17.465 1.199 1.00 0.00 N ATOM 369 CA TRP B 440 -11.243 18.596 1.975 1.00 0.00 C ATOM 370 C TRP B 440 -11.680 19.938 1.393 1.00 0.00 C ATOM 371 O TRP B 440 -11.493 20.976 2.030 1.00 0.00 O ATOM 372 CB TRP B 440 -9.725 18.506 2.115 1.00 0.00 C ATOM 373 CG TRP B 440 -8.975 18.276 0.847 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.586 17.072 0.369 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.565 19.249 -0.158 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.931 17.238 -0.833 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.883 18.567 -1.203 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.697 20.645 -0.283 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.343 19.240 -2.304 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.158 21.328 -1.386 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.472 20.630 -2.388 1.00 0.00 C ATOM 0 H TRP B 440 -11.065 17.107 0.512 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.693 18.544 2.966 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.364 19.430 2.567 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.489 17.698 2.808 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.762 16.124 0.855 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.532 16.475 -1.380 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.221 21.200 0.481 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.832 18.692 -3.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.273 22.399 -1.462 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.044 21.164 -3.223 1.00 0.00 H new ATOM 392 N ARG B 441 -12.267 19.933 0.191 1.00 0.00 N ATOM 393 CA ARG B 441 -12.813 21.146 -0.404 1.00 0.00 C ATOM 394 C ARG B 441 -14.184 21.460 0.183 1.00 0.00 C ATOM 395 O ARG B 441 -14.921 20.550 0.558 1.00 0.00 O ATOM 396 CB ARG B 441 -12.917 20.990 -1.923 1.00 0.00 C ATOM 397 CG ARG B 441 -11.532 20.928 -2.560 1.00 0.00 C ATOM 398 CD ARG B 441 -11.668 20.892 -4.082 1.00 0.00 C ATOM 399 NE ARG B 441 -10.352 20.812 -4.730 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.506 21.837 -4.848 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.826 23.046 -4.388 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.327 21.652 -5.435 1.00 0.00 N ATOM 0 H ARG B 441 -12.374 19.098 -0.385 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.140 21.973 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.473 20.083 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.477 21.827 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.943 21.794 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.000 20.043 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.274 20.035 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.192 21.785 -4.424 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.066 19.912 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.729 23.198 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.168 23.819 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.074 20.731 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.676 22.432 -5.528 1.00 0.00 H new ATOM 416 N ASN B 442 -14.520 22.749 0.253 1.00 0.00 N ATOM 417 CA ASN B 442 -15.842 23.192 0.671 1.00 0.00 C ATOM 418 C ASN B 442 -16.567 23.888 -0.483 1.00 0.00 C ATOM 419 O ASN B 442 -17.747 24.216 -0.370 1.00 0.00 O ATOM 420 CB ASN B 442 -15.721 24.110 1.888 1.00 0.00 C ATOM 421 CG ASN B 442 -15.147 23.378 3.095 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.372 22.185 3.275 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.399 24.094 3.931 1.00 0.00 N ATOM 0 H ASN B 442 -13.882 23.510 0.021 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.436 22.323 0.955 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.083 24.959 1.641 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.703 24.511 2.139 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -13.990 23.653 4.755 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.234 25.084 3.748 1.00 0.00 H new ATOM 430 N GLU B 443 -15.854 24.113 -1.588 1.00 0.00 N ATOM 431 CA GLU B 443 -16.400 24.730 -2.786 1.00 0.00 C ATOM 432 C GLU B 443 -15.913 23.985 -4.026 1.00 0.00 C ATOM 433 O GLU B 443 -14.886 23.306 -3.985 1.00 0.00 O ATOM 434 CB GLU B 443 -15.990 26.203 -2.870 1.00 0.00 C ATOM 435 CG GLU B 443 -16.279 26.954 -1.567 1.00 0.00 C ATOM 436 CD GLU B 443 -15.122 26.890 -0.565 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.275 27.499 0.518 1.00 0.00 O ATOM 438 OE2 GLU B 443 -14.098 26.241 -0.880 1.00 0.00 O ATOM 0 H GLU B 443 -14.868 23.866 -1.671 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.487 24.674 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -14.927 26.271 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.524 26.682 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -16.495 27.997 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -17.174 26.537 -1.106 1.00 0.00 H new ATOM 445 N CYS B 444 -16.655 24.116 -5.124 1.00 0.00 N ATOM 446 CA CYS B 444 -16.329 23.460 -6.377 1.00 0.00 C ATOM 447 C CYS B 444 -15.008 23.989 -6.925 1.00 0.00 C ATOM 448 O CYS B 444 -14.670 25.158 -6.743 1.00 0.00 O ATOM 449 CB CYS B 444 -17.463 23.678 -7.375 1.00 0.00 C ATOM 450 SG CYS B 444 -17.066 22.804 -8.905 1.00 0.00 S ATOM 0 H CYS B 444 -17.502 24.684 -5.164 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.214 22.390 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.404 23.311 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.594 24.742 -7.571 1.00 0.00 H new ATOM 455 N ASN B 445 -14.264 23.116 -7.602 1.00 0.00 N ATOM 456 CA ASN B 445 -12.960 23.454 -8.143 1.00 0.00 C ATOM 457 C ASN B 445 -13.086 24.129 -9.510 1.00 0.00 C ATOM 458 O ASN B 445 -12.070 24.499 -10.098 1.00 0.00 O ATOM 459 CB ASN B 445 -12.140 22.171 -8.262 1.00 0.00 C ATOM 460 CG ASN B 445 -10.658 22.415 -8.022 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.225 23.542 -7.798 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.875 21.346 -8.065 1.00 0.00 N ATOM 0 H ASN B 445 -14.553 22.156 -7.788 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.465 24.159 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.507 21.438 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.280 21.742 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.872 21.442 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.276 20.427 -8.254 1.00 0.00 H new ATOM 469 N GLN B 446 -14.313 24.289 -10.021 1.00 0.00 N ATOM 470 CA GLN B 446 -14.512 24.772 -11.383 1.00 0.00 C ATOM 471 C GLN B 446 -15.584 25.854 -11.462 1.00 0.00 C ATOM 472 O GLN B 446 -15.480 26.765 -12.283 1.00 0.00 O ATOM 473 CB GLN B 446 -14.905 23.590 -12.266 1.00 0.00 C ATOM 474 CG GLN B 446 -13.869 22.468 -12.158 1.00 0.00 C ATOM 475 CD GLN B 446 -13.870 21.568 -13.387 1.00 0.00 C ATOM 476 OE1 GLN B 446 -14.772 21.627 -14.220 1.00 0.00 O ATOM 477 NE2 GLN B 446 -12.853 20.721 -13.509 1.00 0.00 N ATOM 0 H GLN B 446 -15.174 24.091 -9.512 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.580 25.220 -11.727 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.885 23.217 -11.969 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -14.989 23.916 -13.303 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -12.878 22.902 -12.027 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.074 21.869 -11.271 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -12.121 20.698 -12.799 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -12.805 20.094 -14.312 1.00 0.00 H new ATOM 486 N CYS B 447 -16.610 25.758 -10.613 1.00 0.00 N ATOM 487 CA CYS B 447 -17.704 26.723 -10.596 1.00 0.00 C ATOM 488 C CYS B 447 -17.899 27.339 -9.208 1.00 0.00 C ATOM 489 O CYS B 447 -18.812 28.143 -9.008 1.00 0.00 O ATOM 490 CB CYS B 447 -18.985 26.059 -11.102 1.00 0.00 C ATOM 491 SG CYS B 447 -19.405 24.670 -10.021 1.00 0.00 S ATOM 0 H CYS B 447 -16.703 25.013 -9.923 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.449 27.545 -11.265 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.801 26.782 -11.119 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.848 25.710 -12.125 1.00 0.00 H new ATOM 496 N LYS B 448 -17.041 26.963 -8.249 1.00 0.00 N ATOM 497 CA LYS B 448 -17.036 27.516 -6.899 1.00 0.00 C ATOM 498 C LYS B 448 -18.377 27.332 -6.176 1.00 0.00 C ATOM 499 O LYS B 448 -18.640 28.011 -5.183 1.00 0.00 O ATOM 500 CB LYS B 448 -16.590 28.981 -6.922 1.00 0.00 C ATOM 501 CG LYS B 448 -15.181 29.108 -7.508 1.00 0.00 C ATOM 502 CD LYS B 448 -14.740 30.572 -7.486 1.00 0.00 C ATOM 503 CE LYS B 448 -13.327 30.692 -8.054 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.876 32.099 -8.058 1.00 0.00 N ATOM 0 H LYS B 448 -16.322 26.255 -8.398 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.309 26.949 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.290 29.570 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.607 29.388 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.482 28.500 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.167 28.730 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -15.431 31.179 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.766 30.955 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -12.640 30.088 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -13.304 30.296 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.914 32.154 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -13.520 32.668 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -12.876 32.466 -7.085 1.00 0.00 H new ATOM 518 N ALA B 449 -19.229 26.423 -6.661 1.00 0.00 N ATOM 519 CA ALA B 449 -20.479 26.113 -5.988 1.00 0.00 C ATOM 520 C ALA B 449 -20.179 25.485 -4.625 1.00 0.00 C ATOM 521 O ALA B 449 -19.255 24.682 -4.508 1.00 0.00 O ATOM 522 CB ALA B 449 -21.301 25.160 -6.859 1.00 0.00 C ATOM 0 H ALA B 449 -19.069 25.893 -7.518 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.056 27.024 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.239 24.926 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.511 25.634 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.738 24.241 -7.024 1.00 0.00 H new ATOM 528 N PRO B 450 -20.945 25.840 -3.587 1.00 0.00 N ATOM 529 CA PRO B 450 -20.712 25.365 -2.235 1.00 0.00 C ATOM 530 C PRO B 450 -21.049 23.878 -2.116 1.00 0.00 C ATOM 531 O PRO B 450 -21.937 23.383 -2.807 1.00 0.00 O ATOM 532 CB PRO B 450 -21.626 26.209 -1.346 1.00 0.00 C ATOM 533 CG PRO B 450 -22.758 26.640 -2.280 1.00 0.00 C ATOM 534 CD PRO B 450 -22.088 26.731 -3.650 1.00 0.00 C ATOM 0 HA PRO B 450 -19.666 25.465 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.003 25.633 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.099 27.070 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.573 25.916 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.183 27.598 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.774 26.432 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.777 27.753 -3.867 1.00 0.00 H new ATOM 542 N LYS B 451 -20.336 23.172 -1.232 1.00 0.00 N ATOM 543 CA LYS B 451 -20.625 21.776 -0.937 1.00 0.00 C ATOM 544 C LYS B 451 -21.975 21.648 -0.210 1.00 0.00 C ATOM 545 O LYS B 451 -22.844 20.920 -0.688 1.00 0.00 O ATOM 546 CB LYS B 451 -19.469 21.170 -0.131 1.00 0.00 C ATOM 547 CG LYS B 451 -19.776 19.742 0.323 1.00 0.00 C ATOM 548 CD LYS B 451 -19.077 19.430 1.649 1.00 0.00 C ATOM 549 CE LYS B 451 -17.602 19.814 1.575 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.894 19.482 2.826 1.00 0.00 N ATOM 0 H LYS B 451 -19.549 23.554 -0.707 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.712 21.214 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.564 21.171 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.269 21.793 0.741 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.853 19.615 0.436 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.450 19.035 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.561 19.975 2.460 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.172 18.368 1.877 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.131 19.295 0.740 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.512 20.882 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.328 20.299 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.587 19.244 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.267 18.668 2.665 1.00 0.00 H new ATOM 564 N PRO B 452 -22.169 22.336 0.927 1.00 0.00 N ATOM 565 CA PRO B 452 -23.457 22.399 1.595 1.00 0.00 C ATOM 566 C PRO B 452 -24.463 23.178 0.751 1.00 0.00 C ATOM 567 O PRO B 452 -24.091 23.871 -0.194 1.00 0.00 O ATOM 568 CB PRO B 452 -23.203 23.103 2.928 1.00 0.00 C ATOM 569 CG PRO B 452 -21.955 23.943 2.661 1.00 0.00 C ATOM 570 CD PRO B 452 -21.174 23.101 1.658 1.00 0.00 C ATOM 0 HA PRO B 452 -23.879 21.405 1.746 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.049 23.725 3.220 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.040 22.388 3.734 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.208 24.922 2.254 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.383 24.115 3.573 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.594 23.732 0.985 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.469 22.442 2.165 1.00 0.00 H new ATOM 578 N ASP B 453 -25.746 23.063 1.104 1.00 0.00 N ATOM 579 CA ASP B 453 -26.820 23.744 0.395 1.00 0.00 C ATOM 580 C ASP B 453 -26.793 25.244 0.720 1.00 0.00 C ATOM 581 O ASP B 453 -27.478 26.036 0.074 1.00 0.00 O ATOM 582 CB ASP B 453 -28.152 23.120 0.830 1.00 0.00 C ATOM 583 CG ASP B 453 -29.331 23.643 0.012 1.00 0.00 C ATOM 584 OD1 ASP B 453 -30.455 23.631 0.565 1.00 0.00 O ATOM 585 OD2 ASP B 453 -29.105 24.043 -1.154 1.00 0.00 O ATOM 0 H ASP B 453 -26.064 22.495 1.889 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.696 23.631 -0.682 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.094 22.036 0.728 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.322 23.332 1.886 1.00 0.00 H new ATOM 590 N GLY B 454 -25.996 25.639 1.721 1.00 0.00 N ATOM 591 CA GLY B 454 -25.874 27.029 2.131 1.00 0.00 C ATOM 592 C GLY B 454 -24.859 27.172 3.259 1.00 0.00 C ATOM 593 O GLY B 454 -23.880 27.924 3.057 1.00 0.00 O ATOM 0 H GLY B 454 -25.420 24.997 2.265 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.568 27.638 1.281 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.844 27.403 2.459 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.323 18.631 0.025 1.00 0.00 O ATOM 599 C5' U A 1 -0.587 18.065 -0.895 1.00 0.00 C ATOM 600 C4' U A 1 -1.802 17.510 -0.149 1.00 0.00 C ATOM 601 O4' U A 1 -2.600 18.585 0.334 1.00 0.00 O ATOM 602 C3' U A 1 -2.685 16.719 -1.100 1.00 0.00 C ATOM 603 O3' U A 1 -3.505 15.834 -0.363 1.00 0.00 O ATOM 604 C2' U A 1 -3.508 17.830 -1.720 1.00 0.00 C ATOM 605 O2' U A 1 -4.730 17.346 -2.240 1.00 0.00 O ATOM 606 C1' U A 1 -3.708 18.781 -0.540 1.00 0.00 C ATOM 607 N1 U A 1 -3.827 20.199 -0.973 1.00 0.00 N ATOM 608 C2 U A 1 -3.647 21.192 -0.011 1.00 0.00 C ATOM 609 O2 U A 1 -3.429 20.940 1.173 1.00 0.00 O ATOM 610 N3 U A 1 -3.725 22.501 -0.457 1.00 0.00 N ATOM 611 C4 U A 1 -3.995 22.905 -1.754 1.00 0.00 C ATOM 612 O4 U A 1 -4.031 24.102 -2.040 1.00 0.00 O ATOM 613 C5 U A 1 -4.213 21.818 -2.673 1.00 0.00 C ATOM 614 C6 U A 1 -4.130 20.530 -2.272 1.00 0.00 C ATOM 0 H5' U A 1 -0.100 17.269 -1.459 1.00 0.00 H new ATOM 0 H5'' U A 1 -0.905 18.818 -1.616 1.00 0.00 H new ATOM 0 H4' U A 1 -1.437 16.882 0.664 1.00 0.00 H new ATOM 0 H3' U A 1 -2.153 16.103 -1.824 1.00 0.00 H new ATOM 0 H2' U A 1 -3.032 18.308 -2.576 1.00 0.00 H new ATOM 0 HO2' U A 1 -4.611 17.100 -3.181 1.00 0.00 H new ATOM 0 HO5' U A 1 1.100 18.983 -0.458 1.00 0.00 H new ATOM 0 H1' U A 1 -4.646 18.562 -0.031 1.00 0.00 H new ATOM 0 H3 U A 1 -3.569 23.235 0.234 1.00 0.00 H new ATOM 0 H5 U A 1 -4.448 22.037 -3.704 1.00 0.00 H new ATOM 0 H6 U A 1 -4.306 19.742 -2.989 1.00 0.00 H new ATOM 625 P G A 2 -3.005 14.348 -0.004 1.00 0.00 P ATOM 626 OP1 G A 2 -3.818 13.848 1.129 1.00 0.00 O ATOM 627 OP2 G A 2 -1.528 14.351 0.097 1.00 0.00 O ATOM 628 O5' G A 2 -3.435 13.527 -1.320 1.00 0.00 O ATOM 629 C5' G A 2 -2.522 13.284 -2.370 1.00 0.00 C ATOM 630 C4' G A 2 -3.279 12.823 -3.618 1.00 0.00 C ATOM 631 O4' G A 2 -4.346 11.944 -3.271 1.00 0.00 O ATOM 632 C3' G A 2 -3.885 13.991 -4.388 1.00 0.00 C ATOM 633 O3' G A 2 -2.980 14.509 -5.343 1.00 0.00 O ATOM 634 C2' G A 2 -5.088 13.331 -5.034 1.00 0.00 C ATOM 635 O2' G A 2 -4.716 12.601 -6.183 1.00 0.00 O ATOM 636 C1' G A 2 -5.522 12.353 -3.955 1.00 0.00 C ATOM 637 N9 G A 2 -6.468 13.017 -3.036 1.00 0.00 N ATOM 638 C8 G A 2 -6.256 14.061 -2.173 1.00 0.00 C ATOM 639 N7 G A 2 -7.311 14.403 -1.484 1.00 0.00 N ATOM 640 C5 G A 2 -8.301 13.534 -1.943 1.00 0.00 C ATOM 641 C6 G A 2 -9.670 13.422 -1.561 1.00 0.00 C ATOM 642 O6 G A 2 -10.280 14.056 -0.703 1.00 0.00 O ATOM 643 N1 G A 2 -10.327 12.449 -2.299 1.00 0.00 N ATOM 644 C2 G A 2 -9.748 11.679 -3.278 1.00 0.00 C ATOM 645 N2 G A 2 -10.546 10.832 -3.922 1.00 0.00 N ATOM 646 N3 G A 2 -8.459 11.741 -3.608 1.00 0.00 N ATOM 647 C4 G A 2 -7.795 12.695 -2.904 1.00 0.00 C ATOM 0 H5' G A 2 -1.801 12.524 -2.069 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.957 14.190 -2.590 1.00 0.00 H new ATOM 0 H4' G A 2 -2.544 12.315 -4.242 1.00 0.00 H new ATOM 0 H3' G A 2 -4.137 14.854 -3.772 1.00 0.00 H new ATOM 0 H2' G A 2 -5.848 14.046 -5.351 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.412 11.943 -6.392 1.00 0.00 H new ATOM 0 H1' G A 2 -6.030 11.487 -4.379 1.00 0.00 H new ATOM 0 H8 G A 2 -5.302 14.556 -2.072 1.00 0.00 H new ATOM 0 H1 G A 2 -11.315 12.293 -2.100 1.00 0.00 H new ATOM 0 H21 G A 2 -10.169 10.236 -4.659 1.00 0.00 H new ATOM 0 H22 G A 2 -11.535 10.779 -3.679 1.00 0.00 H new ATOM 659 P G A 3 -3.141 16.006 -5.915 1.00 0.00 P ATOM 660 OP1 G A 3 -1.854 16.395 -6.531 1.00 0.00 O ATOM 661 OP2 G A 3 -3.715 16.847 -4.842 1.00 0.00 O ATOM 662 O5' G A 3 -4.236 15.879 -7.092 1.00 0.00 O ATOM 663 C5' G A 3 -3.998 15.061 -8.219 1.00 0.00 C ATOM 664 C4' G A 3 -4.731 15.607 -9.445 1.00 0.00 C ATOM 665 O4' G A 3 -6.105 15.831 -9.142 1.00 0.00 O ATOM 666 C3' G A 3 -4.111 16.926 -9.899 1.00 0.00 C ATOM 667 O3' G A 3 -4.025 16.901 -11.311 1.00 0.00 O ATOM 668 C2' G A 3 -5.105 17.954 -9.374 1.00 0.00 C ATOM 669 O2' G A 3 -5.170 19.129 -10.157 1.00 0.00 O ATOM 670 C1' G A 3 -6.417 17.188 -9.415 1.00 0.00 C ATOM 671 N9 G A 3 -7.382 17.727 -8.433 1.00 0.00 N ATOM 672 C8 G A 3 -7.227 18.771 -7.554 1.00 0.00 C ATOM 673 N7 G A 3 -8.283 19.011 -6.825 1.00 0.00 N ATOM 674 C5 G A 3 -9.207 18.066 -7.264 1.00 0.00 C ATOM 675 C6 G A 3 -10.550 17.839 -6.841 1.00 0.00 C ATOM 676 O6 G A 3 -11.189 18.432 -5.978 1.00 0.00 O ATOM 677 N1 G A 3 -11.140 16.801 -7.544 1.00 0.00 N ATOM 678 C2 G A 3 -10.522 16.057 -8.520 1.00 0.00 C ATOM 679 N2 G A 3 -11.247 15.093 -9.083 1.00 0.00 N ATOM 680 N3 G A 3 -9.261 16.255 -8.916 1.00 0.00 N ATOM 681 C4 G A 3 -8.663 17.273 -8.244 1.00 0.00 C ATOM 0 H5' G A 3 -4.330 14.043 -8.013 1.00 0.00 H new ATOM 0 H5'' G A 3 -2.928 15.012 -8.420 1.00 0.00 H new ATOM 0 H4' G A 3 -4.643 14.869 -10.242 1.00 0.00 H new ATOM 0 H3' G A 3 -3.103 17.135 -9.540 1.00 0.00 H new ATOM 0 H2' G A 3 -4.831 18.325 -8.386 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.262 19.440 -10.357 1.00 0.00 H new ATOM 0 H1' G A 3 -6.893 17.285 -10.391 1.00 0.00 H new ATOM 0 H8 G A 3 -6.314 19.342 -7.473 1.00 0.00 H new ATOM 0 H1 G A 3 -12.108 16.571 -7.320 1.00 0.00 H new ATOM 0 H21 G A 3 -10.840 14.509 -9.813 1.00 0.00 H new ATOM 0 H22 G A 3 -12.210 14.938 -8.784 1.00 0.00 H new ATOM 693 P U A 4 -3.185 18.015 -12.124 1.00 0.00 P ATOM 694 OP1 U A 4 -2.235 17.319 -13.021 1.00 0.00 O ATOM 695 OP2 U A 4 -2.688 19.026 -11.164 1.00 0.00 O ATOM 696 O5' U A 4 -4.330 18.696 -13.026 1.00 0.00 O ATOM 697 C5' U A 4 -4.642 18.163 -14.296 1.00 0.00 C ATOM 698 C4' U A 4 -5.981 18.702 -14.800 1.00 0.00 C ATOM 699 O4' U A 4 -7.068 18.087 -14.132 1.00 0.00 O ATOM 700 C3' U A 4 -6.161 20.195 -14.565 1.00 0.00 C ATOM 701 O3' U A 4 -5.487 20.962 -15.544 1.00 0.00 O ATOM 702 C2' U A 4 -7.677 20.328 -14.665 1.00 0.00 C ATOM 703 O2' U A 4 -8.067 20.582 -16.002 1.00 0.00 O ATOM 704 C1' U A 4 -8.187 18.944 -14.256 1.00 0.00 C ATOM 705 N1 U A 4 -8.931 19.006 -12.977 1.00 0.00 N ATOM 706 C2 U A 4 -10.238 18.540 -12.968 1.00 0.00 C ATOM 707 O2 U A 4 -10.781 18.070 -13.968 1.00 0.00 O ATOM 708 N3 U A 4 -10.916 18.635 -11.764 1.00 0.00 N ATOM 709 C4 U A 4 -10.404 19.152 -10.586 1.00 0.00 C ATOM 710 O4 U A 4 -11.102 19.205 -9.574 1.00 0.00 O ATOM 711 C5 U A 4 -9.032 19.596 -10.681 1.00 0.00 C ATOM 712 C6 U A 4 -8.347 19.508 -11.847 1.00 0.00 C ATOM 0 H5' U A 4 -4.682 17.075 -14.239 1.00 0.00 H new ATOM 0 H5'' U A 4 -3.854 18.416 -15.005 1.00 0.00 H new ATOM 0 H4' U A 4 -5.970 18.485 -15.868 1.00 0.00 H new ATOM 0 H3' U A 4 -5.749 20.558 -13.623 1.00 0.00 H new ATOM 0 H2' U A 4 -8.063 21.142 -14.052 1.00 0.00 H new ATOM 0 HO2' U A 4 -7.283 20.845 -16.527 1.00 0.00 H new ATOM 0 H1' U A 4 -8.875 18.567 -15.013 1.00 0.00 H new ATOM 0 H3 U A 4 -11.877 18.294 -11.743 1.00 0.00 H new ATOM 0 H5 U A 4 -8.544 20.005 -9.808 1.00 0.00 H new ATOM 0 H6 U A 4 -7.320 19.841 -11.884 1.00 0.00 H new ATOM 723 P G A 5 -5.383 22.567 -15.420 1.00 0.00 P ATOM 724 OP1 G A 5 -6.573 23.062 -14.693 1.00 0.00 O ATOM 725 OP2 G A 5 -5.075 23.106 -16.763 1.00 0.00 O ATOM 726 O5' G A 5 -4.085 22.795 -14.492 1.00 0.00 O ATOM 727 C5' G A 5 -4.151 22.639 -13.086 1.00 0.00 C ATOM 728 C4' G A 5 -2.834 23.063 -12.421 1.00 0.00 C ATOM 729 O4' G A 5 -1.817 22.119 -12.693 1.00 0.00 O ATOM 730 C3' G A 5 -2.344 24.401 -12.957 1.00 0.00 C ATOM 731 O3' G A 5 -1.554 25.038 -11.970 1.00 0.00 O ATOM 732 C2' G A 5 -1.495 23.987 -14.152 1.00 0.00 C ATOM 733 O2' G A 5 -0.393 24.857 -14.331 1.00 0.00 O ATOM 734 C1' G A 5 -1.036 22.573 -13.790 1.00 0.00 C ATOM 735 N9 G A 5 -1.157 21.623 -14.921 1.00 0.00 N ATOM 736 C8 G A 5 -1.785 21.779 -16.135 1.00 0.00 C ATOM 737 N7 G A 5 -1.693 20.738 -16.916 1.00 0.00 N ATOM 738 C5 G A 5 -0.954 19.823 -16.172 1.00 0.00 C ATOM 739 C6 G A 5 -0.529 18.503 -16.497 1.00 0.00 C ATOM 740 O6 G A 5 -0.726 17.869 -17.532 1.00 0.00 O ATOM 741 N1 G A 5 0.199 17.926 -15.466 1.00 0.00 N ATOM 742 C2 G A 5 0.491 18.538 -14.270 1.00 0.00 C ATOM 743 N2 G A 5 1.207 17.833 -13.394 1.00 0.00 N ATOM 744 N3 G A 5 0.103 19.780 -13.959 1.00 0.00 N ATOM 745 C4 G A 5 -0.622 20.359 -14.950 1.00 0.00 C ATOM 0 H5' G A 5 -4.367 21.599 -12.842 1.00 0.00 H new ATOM 0 H5'' G A 5 -4.972 23.236 -12.689 1.00 0.00 H new ATOM 0 H4' G A 5 -3.034 23.134 -11.352 1.00 0.00 H new ATOM 0 H3' G A 5 -3.137 25.101 -13.221 1.00 0.00 H new ATOM 0 H2' G A 5 -2.043 24.027 -15.093 1.00 0.00 H new ATOM 0 HO2' G A 5 0.133 24.564 -15.104 1.00 0.00 H new ATOM 0 HO3' G A 5 -0.735 25.385 -12.381 1.00 0.00 H new ATOM 0 H1' G A 5 0.022 22.614 -13.531 1.00 0.00 H new ATOM 0 H8 G A 5 -2.307 22.682 -16.416 1.00 0.00 H new ATOM 0 H1 G A 5 0.543 16.976 -15.606 1.00 0.00 H new ATOM 0 H21 G A 5 1.452 18.239 -12.491 1.00 0.00 H new ATOM 0 H22 G A 5 1.510 16.887 -13.627 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.801 22.776 -9.866 1.00 0.00 ZN