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= 0.138 K(o=0.29,f=-1.2) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -131:sc= 0.155 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.823 K(o=0.38,f=-4.2!) USER MOD Set 2.2: B 437 ASN : amide:sc= -0.446 K(o=0.38,f=-1.5) USER MOD Single : A 1 U O2' : rot 153:sc= 0.868 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.868 USER MOD Single : A 3 G O2' : rot -50:sc= 0.76 USER MOD Single : A 4 U O2' : rot -78:sc= 0.261 USER MOD Single : A 5 G O2' : rot -18:sc= 0.136 USER MOD Single : A 5 G O3' : rot 180:sc= 0.189 USER MOD Single : B 418 SER OG : rot 180:sc= -0.0309 USER MOD Single : B 420 GLN : amide:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.321 K(o=-0.32,f=-6.1!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 167:sc=-4.59e-05 (180deg=-0.383) USER MOD Single : B 439 SER OG : rot -61:sc= 1.21 USER MOD Single : B 445 ASN : amide:sc= 0.392 K(o=0.39,f=-2!) USER MOD Single : B 446 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.5) USER MOD Single : B 448 LYS NZ :NH3+ 163:sc= -0.06 (180deg=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -6.400 19.054 -19.968 1.00 0.00 N ATOM 2 CA GLY B 414 -6.238 17.591 -19.952 1.00 0.00 C ATOM 3 C GLY B 414 -7.541 16.898 -19.574 1.00 0.00 C ATOM 4 O GLY B 414 -8.556 17.558 -19.367 1.00 0.00 O ATOM 0 HA2 GLY B 414 -5.912 17.248 -20.934 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -5.457 17.316 -19.242 1.00 0.00 H new ATOM 10 N PRO B 415 -7.519 15.564 -19.478 1.00 0.00 N ATOM 11 CA PRO B 415 -8.665 14.760 -19.096 1.00 0.00 C ATOM 12 C PRO B 415 -9.004 14.973 -17.622 1.00 0.00 C ATOM 13 O PRO B 415 -8.180 15.473 -16.854 1.00 0.00 O ATOM 14 CB PRO B 415 -8.255 13.311 -19.369 1.00 0.00 C ATOM 15 CG PRO B 415 -6.729 13.337 -19.260 1.00 0.00 C ATOM 16 CD PRO B 415 -6.353 14.739 -19.733 1.00 0.00 C ATOM 0 HA PRO B 415 -9.560 15.031 -19.656 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -8.696 12.627 -18.644 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -8.580 12.982 -20.356 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -6.398 13.158 -18.237 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -6.270 12.569 -19.882 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -5.483 15.114 -19.194 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -6.097 14.739 -20.792 1.00 0.00 H new ATOM 24 N LEU B 416 -10.220 14.592 -17.227 1.00 0.00 N ATOM 25 CA LEU B 416 -10.670 14.748 -15.847 1.00 0.00 C ATOM 26 C LEU B 416 -9.851 13.856 -14.919 1.00 0.00 C ATOM 27 O LEU B 416 -9.332 12.821 -15.337 1.00 0.00 O ATOM 28 CB LEU B 416 -12.160 14.411 -15.740 1.00 0.00 C ATOM 29 CG LEU B 416 -13.007 15.303 -16.657 1.00 0.00 C ATOM 30 CD1 LEU B 416 -14.471 14.874 -16.561 1.00 0.00 C ATOM 31 CD2 LEU B 416 -12.890 16.771 -16.243 1.00 0.00 C ATOM 0 H LEU B 416 -10.912 14.172 -17.848 1.00 0.00 H new ATOM 0 HA LEU B 416 -10.525 15.785 -15.543 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -12.317 13.365 -16.003 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -12.488 14.533 -14.708 1.00 0.00 H new ATOM 0 HG LEU B 416 -12.645 15.196 -17.680 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -15.078 15.504 -17.211 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -14.566 13.834 -16.872 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -14.814 14.978 -15.531 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -13.498 17.386 -16.906 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -13.239 16.889 -15.217 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -11.849 17.086 -16.310 1.00 0.00 H new ATOM 43 N GLY B 417 -9.738 14.257 -13.650 1.00 0.00 N ATOM 44 CA GLY B 417 -8.983 13.506 -12.659 1.00 0.00 C ATOM 45 C GLY B 417 -9.753 12.260 -12.228 1.00 0.00 C ATOM 46 O GLY B 417 -10.975 12.300 -12.074 1.00 0.00 O ATOM 0 H GLY B 417 -10.167 15.108 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -8.016 13.218 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.784 14.135 -11.792 1.00 0.00 H new ATOM 50 N SER B 418 -9.036 11.149 -12.032 1.00 0.00 N ATOM 51 CA SER B 418 -9.637 9.887 -11.632 1.00 0.00 C ATOM 52 C SER B 418 -8.564 8.939 -11.091 1.00 0.00 C ATOM 53 O SER B 418 -7.375 9.156 -11.320 1.00 0.00 O ATOM 54 CB SER B 418 -10.341 9.257 -12.837 1.00 0.00 C ATOM 55 OG SER B 418 -10.987 8.063 -12.454 1.00 0.00 O ATOM 0 H SER B 418 -8.024 11.106 -12.148 1.00 0.00 H new ATOM 0 HA SER B 418 -10.366 10.068 -10.843 1.00 0.00 H new ATOM 0 HB2 SER B 418 -11.068 9.956 -13.249 1.00 0.00 H new ATOM 0 HB3 SER B 418 -9.616 9.050 -13.624 1.00 0.00 H new ATOM 0 HG SER B 418 -11.435 7.670 -13.232 1.00 0.00 H new ATOM 61 N GLY B 419 -8.986 7.890 -10.381 1.00 0.00 N ATOM 62 CA GLY B 419 -8.072 6.903 -9.823 1.00 0.00 C ATOM 63 C GLY B 419 -7.886 7.078 -8.311 1.00 0.00 C ATOM 64 O GLY B 419 -7.060 6.386 -7.713 1.00 0.00 O ATOM 0 H GLY B 419 -9.969 7.705 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -8.451 5.902 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -7.105 6.985 -10.319 1.00 0.00 H new ATOM 68 N GLN B 420 -8.643 7.994 -7.697 1.00 0.00 N ATOM 69 CA GLN B 420 -8.562 8.237 -6.264 1.00 0.00 C ATOM 70 C GLN B 420 -9.964 8.351 -5.669 1.00 0.00 C ATOM 71 O GLN B 420 -10.896 8.779 -6.346 1.00 0.00 O ATOM 72 CB GLN B 420 -7.760 9.517 -5.980 1.00 0.00 C ATOM 73 CG GLN B 420 -6.375 9.499 -6.640 1.00 0.00 C ATOM 74 CD GLN B 420 -6.435 9.873 -8.121 1.00 0.00 C ATOM 75 OE1 GLN B 420 -7.361 10.544 -8.568 1.00 0.00 O ATOM 76 NE2 GLN B 420 -5.441 9.437 -8.890 1.00 0.00 N ATOM 0 H GLN B 420 -9.323 8.581 -8.181 1.00 0.00 H new ATOM 0 HA GLN B 420 -8.049 7.396 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -8.320 10.380 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -7.645 9.639 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -5.717 10.194 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -5.938 8.506 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -4.688 8.882 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -5.432 9.658 -9.886 1.00 0.00 H new ATOM 85 N GLN B 421 -10.104 7.969 -4.395 1.00 0.00 N ATOM 86 CA GLN B 421 -11.362 8.075 -3.672 1.00 0.00 C ATOM 87 C GLN B 421 -11.095 8.097 -2.169 1.00 0.00 C ATOM 88 O GLN B 421 -10.259 7.341 -1.681 1.00 0.00 O ATOM 89 CB GLN B 421 -12.264 6.895 -4.049 1.00 0.00 C ATOM 90 CG GLN B 421 -13.590 6.958 -3.286 1.00 0.00 C ATOM 91 CD GLN B 421 -14.569 5.894 -3.758 1.00 0.00 C ATOM 92 OE1 GLN B 421 -14.232 5.043 -4.580 1.00 0.00 O ATOM 93 NE2 GLN B 421 -15.793 5.936 -3.240 1.00 0.00 N ATOM 0 H GLN B 421 -9.342 7.578 -3.841 1.00 0.00 H new ATOM 0 HA GLN B 421 -11.867 9.002 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -12.456 6.907 -5.122 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -11.755 5.957 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -13.402 6.830 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -14.036 7.944 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -16.035 6.657 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.490 5.247 -3.522 1.00 0.00 H new ATOM 102 N ARG B 422 -11.806 8.961 -1.438 1.00 0.00 N ATOM 103 CA ARG B 422 -11.684 9.051 0.014 1.00 0.00 C ATOM 104 C ARG B 422 -13.036 9.360 0.641 1.00 0.00 C ATOM 105 O ARG B 422 -13.897 9.969 0.007 1.00 0.00 O ATOM 106 CB ARG B 422 -10.667 10.137 0.405 1.00 0.00 C ATOM 107 CG ARG B 422 -9.267 9.846 -0.136 1.00 0.00 C ATOM 108 CD ARG B 422 -8.297 10.891 0.416 1.00 0.00 C ATOM 109 NE ARG B 422 -6.974 10.788 -0.208 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.890 11.408 0.267 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.978 12.224 1.313 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.708 11.214 -0.305 1.00 0.00 N ATOM 0 H ARG B 422 -12.479 9.614 -1.838 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.331 8.089 0.387 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.006 11.102 0.027 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.624 10.217 1.491 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -8.950 8.845 0.157 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.271 9.873 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.702 11.889 0.247 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.201 10.765 1.494 1.00 0.00 H new ATOM 0 HE ARG B 422 -6.876 10.215 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.880 12.382 1.762 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -5.143 12.692 1.667 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -4.626 10.591 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -3.881 11.688 0.059 1.00 0.00 H new ATOM 126 N ALA B 423 -13.224 8.941 1.892 1.00 0.00 N ATOM 127 CA ALA B 423 -14.453 9.218 2.610 1.00 0.00 C ATOM 128 C ALA B 423 -14.617 10.726 2.769 1.00 0.00 C ATOM 129 O ALA B 423 -13.708 11.409 3.241 1.00 0.00 O ATOM 130 CB ALA B 423 -14.421 8.520 3.970 1.00 0.00 C ATOM 0 H ALA B 423 -12.536 8.408 2.424 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.307 8.835 2.051 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.345 8.729 4.508 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.321 7.444 3.825 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.573 8.888 4.548 1.00 0.00 H new ATOM 136 N GLY B 424 -15.781 11.245 2.371 1.00 0.00 N ATOM 137 CA GLY B 424 -16.076 12.663 2.467 1.00 0.00 C ATOM 138 C GLY B 424 -16.020 13.335 1.095 1.00 0.00 C ATOM 139 O GLY B 424 -16.383 14.504 0.972 1.00 0.00 O ATOM 0 H GLY B 424 -16.539 10.689 1.975 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -17.065 12.802 2.903 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.362 13.141 3.138 1.00 0.00 H new ATOM 143 N ASP B 425 -15.572 12.604 0.063 1.00 0.00 N ATOM 144 CA ASP B 425 -15.615 13.098 -1.306 1.00 0.00 C ATOM 145 C ASP B 425 -17.031 13.504 -1.715 1.00 0.00 C ATOM 146 O ASP B 425 -18.007 12.941 -1.214 1.00 0.00 O ATOM 147 CB ASP B 425 -15.060 12.047 -2.268 1.00 0.00 C ATOM 148 CG ASP B 425 -13.544 11.901 -2.176 1.00 0.00 C ATOM 149 OD1 ASP B 425 -13.025 10.998 -2.868 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.917 12.684 -1.428 1.00 0.00 O ATOM 0 H ASP B 425 -15.177 11.669 0.159 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.990 13.989 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.526 11.085 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.333 12.315 -3.289 1.00 0.00 H new ATOM 155 N TRP B 426 -17.148 14.481 -2.620 1.00 0.00 N ATOM 156 CA TRP B 426 -18.460 14.981 -3.003 1.00 0.00 C ATOM 157 C TRP B 426 -18.436 15.568 -4.412 1.00 0.00 C ATOM 158 O TRP B 426 -17.432 16.129 -4.843 1.00 0.00 O ATOM 159 CB TRP B 426 -18.909 16.019 -1.976 1.00 0.00 C ATOM 160 CG TRP B 426 -18.051 17.247 -1.883 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.918 17.366 -1.156 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.206 18.526 -2.571 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.380 18.624 -1.328 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.133 19.384 -2.194 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.171 19.064 -3.437 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.023 20.697 -2.662 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.064 20.378 -3.924 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.995 21.192 -3.537 1.00 0.00 C ATOM 0 H TRP B 426 -16.362 14.931 -3.090 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.173 14.157 -3.017 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.927 16.325 -2.216 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.942 15.544 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.497 16.591 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.529 18.951 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.012 18.456 -3.735 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.198 21.321 -2.352 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.812 20.762 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.920 22.202 -3.913 1.00 0.00 H new ATOM 179 N LYS B 427 -19.555 15.432 -5.133 1.00 0.00 N ATOM 180 CA LYS B 427 -19.666 15.922 -6.501 1.00 0.00 C ATOM 181 C LYS B 427 -20.305 17.307 -6.511 1.00 0.00 C ATOM 182 O LYS B 427 -21.133 17.611 -5.653 1.00 0.00 O ATOM 183 CB LYS B 427 -20.495 14.941 -7.327 1.00 0.00 C ATOM 184 CG LYS B 427 -20.213 15.148 -8.817 1.00 0.00 C ATOM 185 CD LYS B 427 -21.274 14.460 -9.672 1.00 0.00 C ATOM 186 CE LYS B 427 -22.608 15.199 -9.541 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.661 14.548 -10.348 1.00 0.00 N ATOM 0 H LYS B 427 -20.400 14.982 -4.783 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.672 16.001 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.254 13.917 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.556 15.087 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.193 16.214 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.228 14.751 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -20.958 14.443 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.390 13.423 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -22.912 15.224 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.487 16.233 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.554 15.070 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.380 14.546 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.791 13.569 -10.023 1.00 0.00 H new ATOM 201 N CYS B 428 -19.923 18.142 -7.478 1.00 0.00 N ATOM 202 CA CYS B 428 -20.465 19.479 -7.613 1.00 0.00 C ATOM 203 C CYS B 428 -21.974 19.407 -7.866 1.00 0.00 C ATOM 204 O CYS B 428 -22.411 18.666 -8.749 1.00 0.00 O ATOM 205 CB CYS B 428 -19.741 20.180 -8.763 1.00 0.00 C ATOM 206 SG CYS B 428 -20.276 21.903 -8.828 1.00 0.00 S ATOM 0 H CYS B 428 -19.229 17.903 -8.186 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.312 20.048 -6.696 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.662 20.126 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.961 19.681 -9.707 1.00 0.00 H new ATOM 211 N PRO B 429 -22.776 20.164 -7.102 1.00 0.00 N ATOM 212 CA PRO B 429 -24.222 20.176 -7.221 1.00 0.00 C ATOM 213 C PRO B 429 -24.675 20.934 -8.470 1.00 0.00 C ATOM 214 O PRO B 429 -25.840 20.834 -8.857 1.00 0.00 O ATOM 215 CB PRO B 429 -24.723 20.873 -5.957 1.00 0.00 C ATOM 216 CG PRO B 429 -23.572 21.813 -5.588 1.00 0.00 C ATOM 217 CD PRO B 429 -22.329 21.057 -6.050 1.00 0.00 C ATOM 0 HA PRO B 429 -24.621 19.166 -7.320 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.647 21.422 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.930 20.159 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.665 22.776 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.545 22.012 -4.517 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.568 21.745 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.883 20.499 -5.227 1.00 0.00 H new ATOM 225 N ASN B 430 -23.772 21.690 -9.101 1.00 0.00 N ATOM 226 CA ASN B 430 -24.100 22.464 -10.287 1.00 0.00 C ATOM 227 C ASN B 430 -24.291 21.502 -11.462 1.00 0.00 C ATOM 228 O ASN B 430 -23.393 20.711 -11.751 1.00 0.00 O ATOM 229 CB ASN B 430 -22.951 23.439 -10.569 1.00 0.00 C ATOM 230 CG ASN B 430 -23.423 24.818 -11.000 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.606 25.044 -11.230 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.483 25.752 -11.111 1.00 0.00 N ATOM 0 H ASN B 430 -22.801 21.778 -8.801 1.00 0.00 H new ATOM 0 HA ASN B 430 -25.019 23.031 -10.140 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.338 23.536 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.313 23.022 -11.348 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.735 26.698 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.510 25.522 -10.910 1.00 0.00 H new ATOM 239 N PRO B 431 -25.442 21.547 -12.152 1.00 0.00 N ATOM 240 CA PRO B 431 -25.715 20.686 -13.291 1.00 0.00 C ATOM 241 C PRO B 431 -24.822 21.062 -14.474 1.00 0.00 C ATOM 242 O PRO B 431 -24.637 20.262 -15.389 1.00 0.00 O ATOM 243 CB PRO B 431 -27.195 20.905 -13.619 1.00 0.00 C ATOM 244 CG PRO B 431 -27.493 22.300 -13.073 1.00 0.00 C ATOM 245 CD PRO B 431 -26.558 22.428 -11.878 1.00 0.00 C ATOM 0 HA PRO B 431 -25.507 19.638 -13.073 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.378 20.849 -14.692 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.824 20.150 -13.148 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.298 23.071 -13.818 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.537 22.399 -12.777 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.222 23.457 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.063 22.144 -10.955 1.00 0.00 H new ATOM 253 N THR B 432 -24.269 22.281 -14.457 1.00 0.00 N ATOM 254 CA THR B 432 -23.331 22.742 -15.474 1.00 0.00 C ATOM 255 C THR B 432 -21.877 22.419 -15.136 1.00 0.00 C ATOM 256 O THR B 432 -20.975 22.759 -15.899 1.00 0.00 O ATOM 257 CB THR B 432 -23.532 24.231 -15.764 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.812 24.988 -14.818 1.00 0.00 O ATOM 259 CG2 THR B 432 -25.008 24.619 -15.702 1.00 0.00 C ATOM 0 H THR B 432 -24.463 22.973 -13.733 1.00 0.00 H new ATOM 0 HA THR B 432 -23.553 22.186 -16.385 1.00 0.00 H new ATOM 0 HB THR B 432 -23.170 24.434 -16.772 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.936 25.943 -15.000 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.114 25.683 -15.913 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.566 24.045 -16.442 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.399 24.406 -14.707 1.00 0.00 H new ATOM 267 N CYS B 433 -21.652 21.767 -13.992 1.00 0.00 N ATOM 268 CA CYS B 433 -20.316 21.449 -13.512 1.00 0.00 C ATOM 269 C CYS B 433 -20.130 19.936 -13.407 1.00 0.00 C ATOM 270 O CYS B 433 -19.366 19.347 -14.171 1.00 0.00 O ATOM 271 CB CYS B 433 -20.114 22.118 -12.155 1.00 0.00 C ATOM 272 SG CYS B 433 -18.425 21.838 -11.589 1.00 0.00 S ATOM 0 H CYS B 433 -22.398 21.446 -13.375 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.572 21.822 -14.215 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.310 23.187 -12.233 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.822 21.716 -11.431 1.00 0.00 H new ATOM 277 N GLU B 434 -20.837 19.320 -12.454 1.00 0.00 N ATOM 278 CA GLU B 434 -20.755 17.890 -12.165 1.00 0.00 C ATOM 279 C GLU B 434 -19.317 17.414 -11.923 1.00 0.00 C ATOM 280 O GLU B 434 -19.051 16.213 -11.982 1.00 0.00 O ATOM 281 CB GLU B 434 -21.445 17.089 -13.271 1.00 0.00 C ATOM 282 CG GLU B 434 -22.936 17.429 -13.299 1.00 0.00 C ATOM 283 CD GLU B 434 -23.687 16.599 -14.343 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.937 16.670 -14.337 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.015 15.901 -15.138 1.00 0.00 O ATOM 0 H GLU B 434 -21.495 19.814 -11.851 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.283 17.712 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.992 17.317 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.309 16.021 -13.099 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.368 17.252 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.063 18.489 -13.517 1.00 0.00 H new ATOM 292 N ASN B 435 -18.390 18.340 -11.652 1.00 0.00 N ATOM 293 CA ASN B 435 -17.013 17.981 -11.350 1.00 0.00 C ATOM 294 C ASN B 435 -16.951 17.265 -10.002 1.00 0.00 C ATOM 295 O ASN B 435 -17.699 17.601 -9.085 1.00 0.00 O ATOM 296 CB ASN B 435 -16.149 19.241 -11.317 1.00 0.00 C ATOM 297 CG ASN B 435 -14.697 18.906 -11.001 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.085 18.074 -11.662 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.139 19.550 -9.984 1.00 0.00 N ATOM 0 H ASN B 435 -18.576 19.343 -11.637 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.635 17.312 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.206 19.750 -12.279 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.537 19.931 -10.568 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.170 19.359 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.679 20.236 -9.457 1.00 0.00 H new ATOM 306 N MET B 436 -16.057 16.280 -9.873 1.00 0.00 N ATOM 307 CA MET B 436 -15.864 15.600 -8.602 1.00 0.00 C ATOM 308 C MET B 436 -14.888 16.411 -7.754 1.00 0.00 C ATOM 309 O MET B 436 -13.860 16.858 -8.259 1.00 0.00 O ATOM 310 CB MET B 436 -15.342 14.184 -8.851 1.00 0.00 C ATOM 311 CG MET B 436 -15.577 13.338 -7.603 1.00 0.00 C ATOM 312 SD MET B 436 -17.331 12.999 -7.304 1.00 0.00 S ATOM 313 CE MET B 436 -17.251 12.592 -5.547 1.00 0.00 C ATOM 0 H MET B 436 -15.463 15.942 -10.630 1.00 0.00 H new ATOM 0 HA MET B 436 -16.809 15.518 -8.066 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.851 13.741 -9.707 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.279 14.212 -9.092 1.00 0.00 H new ATOM 0 HG2 MET B 436 -15.041 12.394 -7.704 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.158 13.852 -6.737 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.258 12.579 -5.130 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.794 11.611 -5.421 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.653 13.340 -5.027 1.00 0.00 H new ATOM 323 N ASN B 437 -15.198 16.596 -6.470 1.00 0.00 N ATOM 324 CA ASN B 437 -14.382 17.417 -5.589 1.00 0.00 C ATOM 325 C ASN B 437 -13.875 16.603 -4.402 1.00 0.00 C ATOM 326 O ASN B 437 -14.568 15.719 -3.895 1.00 0.00 O ATOM 327 CB ASN B 437 -15.191 18.627 -5.119 1.00 0.00 C ATOM 328 CG ASN B 437 -15.661 19.472 -6.295 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.851 20.034 -7.027 1.00 0.00 O ATOM 330 ND2 ASN B 437 -16.974 19.567 -6.477 1.00 0.00 N ATOM 0 H ASN B 437 -16.015 16.183 -6.019 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.511 17.770 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.053 18.289 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.582 19.237 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.343 20.123 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.613 19.084 -5.845 1.00 0.00 H new ATOM 337 N PHE B 438 -12.650 16.913 -3.962 1.00 0.00 N ATOM 338 CA PHE B 438 -12.031 16.239 -2.837 1.00 0.00 C ATOM 339 C PHE B 438 -12.722 16.540 -1.506 1.00 0.00 C ATOM 340 O PHE B 438 -13.376 17.571 -1.363 1.00 0.00 O ATOM 341 CB PHE B 438 -10.527 16.539 -2.793 1.00 0.00 C ATOM 342 CG PHE B 438 -9.694 15.899 -3.893 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.092 14.689 -4.490 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.505 16.515 -4.311 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.304 14.102 -5.488 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.706 15.915 -5.296 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.107 14.711 -5.886 1.00 0.00 C ATOM 0 H PHE B 438 -12.068 17.638 -4.382 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.158 15.167 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.389 17.619 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.138 16.210 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.009 14.211 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.203 17.455 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.620 13.179 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -6.781 16.383 -5.599 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.494 14.252 -6.648 1.00 0.00 H new ATOM 357 N SER B 439 -12.574 15.634 -0.536 1.00 0.00 N ATOM 358 CA SER B 439 -13.306 15.700 0.725 1.00 0.00 C ATOM 359 C SER B 439 -12.976 16.959 1.521 1.00 0.00 C ATOM 360 O SER B 439 -13.809 17.430 2.295 1.00 0.00 O ATOM 361 CB SER B 439 -12.969 14.467 1.564 1.00 0.00 C ATOM 362 OG SER B 439 -11.603 14.485 1.934 1.00 0.00 O ATOM 0 H SER B 439 -11.943 14.836 -0.606 1.00 0.00 H new ATOM 0 HA SER B 439 -14.370 15.730 0.491 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.595 14.443 2.456 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.188 13.562 0.997 1.00 0.00 H new ATOM 0 HG SER B 439 -11.046 14.462 1.128 1.00 0.00 H new ATOM 368 N TRP B 440 -11.772 17.508 1.341 1.00 0.00 N ATOM 369 CA TRP B 440 -11.334 18.656 2.115 1.00 0.00 C ATOM 370 C TRP B 440 -11.774 19.985 1.499 1.00 0.00 C ATOM 371 O TRP B 440 -11.620 21.030 2.130 1.00 0.00 O ATOM 372 CB TRP B 440 -9.822 18.600 2.300 1.00 0.00 C ATOM 373 CG TRP B 440 -9.023 18.397 1.051 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.590 17.210 0.578 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.598 19.393 0.072 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.895 17.405 -0.598 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.865 18.736 -0.958 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.759 20.787 -0.049 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.297 19.428 -2.031 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.193 21.490 -1.122 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.454 20.818 -2.108 1.00 0.00 C ATOM 0 H TRP B 440 -11.088 17.171 0.664 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.817 18.606 3.091 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.497 19.528 2.770 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.589 17.792 2.994 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.761 16.253 1.048 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.457 16.657 -1.135 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.328 21.323 0.697 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.744 18.898 -2.792 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.327 22.559 -1.190 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.008 21.370 -2.922 1.00 0.00 H new ATOM 392 N ARG B 441 -12.319 19.956 0.277 1.00 0.00 N ATOM 393 CA ARG B 441 -12.857 21.154 -0.353 1.00 0.00 C ATOM 394 C ARG B 441 -14.234 21.470 0.213 1.00 0.00 C ATOM 395 O ARG B 441 -14.987 20.564 0.567 1.00 0.00 O ATOM 396 CB ARG B 441 -12.942 20.971 -1.866 1.00 0.00 C ATOM 397 CG ARG B 441 -11.542 20.902 -2.478 1.00 0.00 C ATOM 398 CD ARG B 441 -11.654 20.831 -4.001 1.00 0.00 C ATOM 399 NE ARG B 441 -10.331 20.731 -4.629 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.469 21.743 -4.737 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.781 22.954 -4.282 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.284 21.538 -5.303 1.00 0.00 N ATOM 0 H ARG B 441 -12.396 19.112 -0.291 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.187 21.987 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.492 20.059 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.498 21.798 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.962 21.778 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -11.011 20.028 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.259 19.969 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.169 21.717 -4.372 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.052 19.826 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.688 23.116 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.113 23.720 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.039 20.611 -5.651 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.620 22.307 -5.389 1.00 0.00 H new ATOM 416 N ASN B 442 -14.563 22.759 0.290 1.00 0.00 N ATOM 417 CA ASN B 442 -15.887 23.212 0.699 1.00 0.00 C ATOM 418 C ASN B 442 -16.611 23.879 -0.468 1.00 0.00 C ATOM 419 O ASN B 442 -17.781 24.242 -0.346 1.00 0.00 O ATOM 420 CB ASN B 442 -15.764 24.167 1.887 1.00 0.00 C ATOM 421 CG ASN B 442 -15.215 23.461 3.120 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.425 22.266 3.308 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.509 24.201 3.970 1.00 0.00 N ATOM 0 H ASN B 442 -13.917 23.517 0.070 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.478 22.349 1.007 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.110 24.997 1.621 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.741 24.592 2.115 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.120 23.778 4.813 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.356 25.191 3.779 1.00 0.00 H new ATOM 430 N GLU B 443 -15.917 24.035 -1.599 1.00 0.00 N ATOM 431 CA GLU B 443 -16.480 24.632 -2.798 1.00 0.00 C ATOM 432 C GLU B 443 -15.957 23.912 -4.037 1.00 0.00 C ATOM 433 O GLU B 443 -14.925 23.245 -3.986 1.00 0.00 O ATOM 434 CB GLU B 443 -16.129 26.121 -2.868 1.00 0.00 C ATOM 435 CG GLU B 443 -16.662 26.885 -1.654 1.00 0.00 C ATOM 436 CD GLU B 443 -16.384 28.387 -1.761 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.665 28.782 -2.707 1.00 0.00 O ATOM 438 OE2 GLU B 443 -16.897 29.127 -0.890 1.00 0.00 O ATOM 0 H GLU B 443 -14.944 23.747 -1.702 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.565 24.531 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.047 26.238 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.544 26.551 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.736 26.720 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.201 26.494 -0.747 1.00 0.00 H new ATOM 445 N CYS B 444 -16.680 24.053 -5.149 1.00 0.00 N ATOM 446 CA CYS B 444 -16.344 23.394 -6.394 1.00 0.00 C ATOM 447 C CYS B 444 -15.008 23.908 -6.919 1.00 0.00 C ATOM 448 O CYS B 444 -14.648 25.066 -6.709 1.00 0.00 O ATOM 449 CB CYS B 444 -17.463 23.626 -7.411 1.00 0.00 C ATOM 450 SG CYS B 444 -17.080 22.721 -8.926 1.00 0.00 S ATOM 0 H CYS B 444 -17.518 24.632 -5.203 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.245 22.322 -6.224 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.417 23.291 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.563 24.690 -7.624 1.00 0.00 H new ATOM 455 N ASN B 445 -14.272 23.036 -7.610 1.00 0.00 N ATOM 456 CA ASN B 445 -12.950 23.365 -8.112 1.00 0.00 C ATOM 457 C ASN B 445 -13.060 23.973 -9.514 1.00 0.00 C ATOM 458 O ASN B 445 -12.041 24.228 -10.153 1.00 0.00 O ATOM 459 CB ASN B 445 -12.120 22.079 -8.139 1.00 0.00 C ATOM 460 CG ASN B 445 -10.636 22.347 -7.937 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.212 23.484 -7.751 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.840 21.288 -7.977 1.00 0.00 N ATOM 0 H ASN B 445 -14.579 22.089 -7.833 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.467 24.100 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.475 21.404 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.269 21.572 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.834 21.401 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.233 20.360 -8.134 1.00 0.00 H new ATOM 469 N GLN B 446 -14.285 24.198 -9.994 1.00 0.00 N ATOM 470 CA GLN B 446 -14.512 24.621 -11.369 1.00 0.00 C ATOM 471 C GLN B 446 -15.555 25.729 -11.462 1.00 0.00 C ATOM 472 O GLN B 446 -15.456 26.597 -12.329 1.00 0.00 O ATOM 473 CB GLN B 446 -14.994 23.409 -12.174 1.00 0.00 C ATOM 474 CG GLN B 446 -14.007 22.241 -12.113 1.00 0.00 C ATOM 475 CD GLN B 446 -12.711 22.543 -12.856 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.595 23.546 -13.555 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.722 21.663 -12.708 1.00 0.00 N ATOM 0 H GLN B 446 -15.137 24.092 -9.443 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.576 25.014 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.962 23.084 -11.793 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.143 23.702 -13.213 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.782 22.012 -11.071 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.471 21.353 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.855 20.841 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.832 21.811 -13.184 1.00 0.00 H new ATOM 486 N CYS B 447 -16.554 25.707 -10.573 1.00 0.00 N ATOM 487 CA CYS B 447 -17.629 26.691 -10.587 1.00 0.00 C ATOM 488 C CYS B 447 -17.846 27.323 -9.205 1.00 0.00 C ATOM 489 O CYS B 447 -18.767 28.122 -9.031 1.00 0.00 O ATOM 490 CB CYS B 447 -18.906 26.034 -11.120 1.00 0.00 C ATOM 491 SG CYS B 447 -19.363 24.659 -10.036 1.00 0.00 S ATOM 0 H CYS B 447 -16.636 25.011 -9.832 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.349 27.509 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.715 26.764 -11.162 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.747 25.674 -12.137 1.00 0.00 H new ATOM 496 N LYS B 448 -16.999 26.963 -8.231 1.00 0.00 N ATOM 497 CA LYS B 448 -17.017 27.529 -6.886 1.00 0.00 C ATOM 498 C LYS B 448 -18.360 27.329 -6.179 1.00 0.00 C ATOM 499 O LYS B 448 -18.626 27.990 -5.176 1.00 0.00 O ATOM 500 CB LYS B 448 -16.623 29.009 -6.929 1.00 0.00 C ATOM 501 CG LYS B 448 -15.263 29.230 -7.599 1.00 0.00 C ATOM 502 CD LYS B 448 -14.133 28.594 -6.784 1.00 0.00 C ATOM 503 CE LYS B 448 -12.778 28.853 -7.442 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.473 30.293 -7.496 1.00 0.00 N ATOM 0 H LYS B 448 -16.273 26.259 -8.363 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.280 26.986 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.386 29.570 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.594 29.404 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -15.276 28.804 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -15.078 30.299 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -14.135 29.000 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.301 27.521 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -11.997 28.335 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -12.777 28.441 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.457 30.426 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -13.019 30.735 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -12.728 30.736 -6.590 1.00 0.00 H new ATOM 518 N ALA B 449 -19.210 26.431 -6.683 1.00 0.00 N ATOM 519 CA ALA B 449 -20.472 26.124 -6.027 1.00 0.00 C ATOM 520 C ALA B 449 -20.192 25.476 -4.669 1.00 0.00 C ATOM 521 O ALA B 449 -19.266 24.674 -4.558 1.00 0.00 O ATOM 522 CB ALA B 449 -21.301 25.196 -6.916 1.00 0.00 C ATOM 0 H ALA B 449 -19.043 25.907 -7.542 1.00 0.00 H new ATOM 0 HA ALA B 449 -21.040 27.040 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.246 24.968 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.499 25.686 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.750 24.272 -7.091 1.00 0.00 H new ATOM 528 N PRO B 450 -20.973 25.809 -3.634 1.00 0.00 N ATOM 529 CA PRO B 450 -20.756 25.317 -2.288 1.00 0.00 C ATOM 530 C PRO B 450 -21.070 23.823 -2.194 1.00 0.00 C ATOM 531 O PRO B 450 -21.931 23.318 -2.912 1.00 0.00 O ATOM 532 CB PRO B 450 -21.689 26.136 -1.398 1.00 0.00 C ATOM 533 CG PRO B 450 -22.813 26.562 -2.342 1.00 0.00 C ATOM 534 CD PRO B 450 -22.119 26.695 -3.695 1.00 0.00 C ATOM 0 HA PRO B 450 -19.716 25.426 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.069 25.544 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.178 26.998 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.612 25.821 -2.373 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.263 27.504 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.788 26.415 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.810 27.724 -3.877 1.00 0.00 H new ATOM 542 N LYS B 451 -20.367 23.117 -1.301 1.00 0.00 N ATOM 543 CA LYS B 451 -20.654 21.720 -1.002 1.00 0.00 C ATOM 544 C LYS B 451 -22.014 21.594 -0.301 1.00 0.00 C ATOM 545 O LYS B 451 -22.878 20.859 -0.783 1.00 0.00 O ATOM 546 CB LYS B 451 -19.511 21.125 -0.172 1.00 0.00 C ATOM 547 CG LYS B 451 -19.821 19.700 0.296 1.00 0.00 C ATOM 548 CD LYS B 451 -19.128 19.406 1.630 1.00 0.00 C ATOM 549 CE LYS B 451 -17.651 19.787 1.548 1.00 0.00 C ATOM 550 NZ LYS B 451 -16.943 19.484 2.802 1.00 0.00 N ATOM 0 H LYS B 451 -19.586 23.502 -0.769 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.720 21.149 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.597 21.121 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.325 21.759 0.695 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.898 19.574 0.404 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.490 18.984 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.612 19.965 2.431 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.226 18.348 1.875 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.181 19.249 0.725 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.561 20.850 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.390 20.314 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.634 19.247 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.304 18.677 2.654 1.00 0.00 H new ATOM 564 N PRO B 452 -22.233 22.297 0.823 1.00 0.00 N ATOM 565 CA PRO B 452 -23.538 22.393 1.454 1.00 0.00 C ATOM 566 C PRO B 452 -24.497 23.203 0.582 1.00 0.00 C ATOM 567 O PRO B 452 -24.124 23.700 -0.478 1.00 0.00 O ATOM 568 CB PRO B 452 -23.302 23.094 2.795 1.00 0.00 C ATOM 569 CG PRO B 452 -22.033 23.910 2.559 1.00 0.00 C ATOM 570 CD PRO B 452 -21.240 23.049 1.578 1.00 0.00 C ATOM 0 HA PRO B 452 -23.991 21.411 1.592 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.143 23.732 3.067 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.172 22.376 3.605 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.258 24.892 2.142 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.483 24.075 3.485 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.631 23.667 0.918 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.560 22.380 2.105 1.00 0.00 H new ATOM 578 N ASP B 453 -25.743 23.332 1.045 1.00 0.00 N ATOM 579 CA ASP B 453 -26.772 24.081 0.339 1.00 0.00 C ATOM 580 C ASP B 453 -26.553 25.595 0.379 1.00 0.00 C ATOM 581 O ASP B 453 -27.280 26.344 -0.270 1.00 0.00 O ATOM 582 CB ASP B 453 -28.163 23.718 0.868 1.00 0.00 C ATOM 583 CG ASP B 453 -28.268 23.750 2.393 1.00 0.00 C ATOM 584 OD1 ASP B 453 -27.340 24.286 3.041 1.00 0.00 O ATOM 585 OD2 ASP B 453 -29.287 23.229 2.899 1.00 0.00 O ATOM 0 H ASP B 453 -26.062 22.918 1.921 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.701 23.790 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.894 24.409 0.448 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -28.427 22.721 0.515 1.00 0.00 H new ATOM 590 N GLY B 454 -25.554 26.051 1.146 1.00 0.00 N ATOM 591 CA GLY B 454 -25.255 27.470 1.267 1.00 0.00 C ATOM 592 C GLY B 454 -24.064 27.696 2.193 1.00 0.00 C ATOM 593 O GLY B 454 -24.265 27.587 3.422 1.00 0.00 O ATOM 0 H GLY B 454 -24.940 25.447 1.692 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -25.040 27.886 0.283 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -26.127 27.998 1.653 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.408 18.807 0.380 1.00 0.00 O ATOM 599 C5' U A 1 -0.520 18.253 -0.528 1.00 0.00 C ATOM 600 C4' U A 1 -1.721 17.687 0.234 1.00 0.00 C ATOM 601 O4' U A 1 -2.508 18.751 0.754 1.00 0.00 O ATOM 602 C3' U A 1 -2.626 16.915 -0.716 1.00 0.00 C ATOM 603 O3' U A 1 -3.432 16.021 0.023 1.00 0.00 O ATOM 604 C2' U A 1 -3.459 18.039 -1.294 1.00 0.00 C ATOM 605 O2' U A 1 -4.693 17.564 -1.798 1.00 0.00 O ATOM 606 C1' U A 1 -3.633 18.968 -0.093 1.00 0.00 C ATOM 607 N1 U A 1 -3.748 20.394 -0.502 1.00 0.00 N ATOM 608 C2 U A 1 -3.520 21.369 0.466 1.00 0.00 C ATOM 609 O2 U A 1 -3.259 21.099 1.640 1.00 0.00 O ATOM 610 N3 U A 1 -3.600 22.686 0.045 1.00 0.00 N ATOM 611 C4 U A 1 -3.914 23.111 -1.232 1.00 0.00 C ATOM 612 O4 U A 1 -3.951 24.313 -1.493 1.00 0.00 O ATOM 613 C5 U A 1 -4.176 22.043 -2.164 1.00 0.00 C ATOM 614 C6 U A 1 -4.092 20.749 -1.784 1.00 0.00 C ATOM 0 H5' U A 1 -0.044 17.465 -1.112 1.00 0.00 H new ATOM 0 H5'' U A 1 -0.852 19.015 -1.233 1.00 0.00 H new ATOM 0 H4' U A 1 -1.339 17.045 1.028 1.00 0.00 H new ATOM 0 H3' U A 1 -2.111 16.312 -1.464 1.00 0.00 H new ATOM 0 H2' U A 1 -3.000 18.535 -2.149 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.362 18.279 -1.753 1.00 0.00 H new ATOM 0 HO5' U A 1 1.175 19.166 -0.114 1.00 0.00 H new ATOM 0 H1' U A 1 -4.562 18.745 0.431 1.00 0.00 H new ATOM 0 H3 U A 1 -3.410 23.408 0.740 1.00 0.00 H new ATOM 0 H5 U A 1 -4.444 22.281 -3.183 1.00 0.00 H new ATOM 0 H6 U A 1 -4.301 19.974 -2.507 1.00 0.00 H new ATOM 625 P G A 2 -2.915 14.542 0.386 1.00 0.00 P ATOM 626 OP1 G A 2 -3.731 14.022 1.509 1.00 0.00 O ATOM 627 OP2 G A 2 -1.439 14.572 0.505 1.00 0.00 O ATOM 628 O5' G A 2 -3.313 13.718 -0.936 1.00 0.00 O ATOM 629 C5' G A 2 -2.383 13.479 -1.969 1.00 0.00 C ATOM 630 C4' G A 2 -3.121 13.019 -3.230 1.00 0.00 C ATOM 631 O4' G A 2 -4.190 12.136 -2.900 1.00 0.00 O ATOM 632 C3' G A 2 -3.719 14.188 -4.005 1.00 0.00 C ATOM 633 O3' G A 2 -2.804 14.720 -4.943 1.00 0.00 O ATOM 634 C2' G A 2 -4.915 13.524 -4.668 1.00 0.00 C ATOM 635 O2' G A 2 -4.532 12.787 -5.811 1.00 0.00 O ATOM 636 C1' G A 2 -5.361 12.544 -3.597 1.00 0.00 C ATOM 637 N9 G A 2 -6.316 13.212 -2.687 1.00 0.00 N ATOM 638 C8 G A 2 -6.112 14.252 -1.814 1.00 0.00 C ATOM 639 N7 G A 2 -7.168 14.593 -1.133 1.00 0.00 N ATOM 640 C5 G A 2 -8.155 13.731 -1.607 1.00 0.00 C ATOM 641 C6 G A 2 -9.527 13.617 -1.237 1.00 0.00 C ATOM 642 O6 G A 2 -10.143 14.239 -0.374 1.00 0.00 O ATOM 643 N1 G A 2 -10.183 12.658 -1.993 1.00 0.00 N ATOM 644 C2 G A 2 -9.597 11.892 -2.970 1.00 0.00 C ATOM 645 N2 G A 2 -10.394 11.053 -3.631 1.00 0.00 N ATOM 646 N3 G A 2 -8.302 11.949 -3.284 1.00 0.00 N ATOM 647 C4 G A 2 -7.645 12.898 -2.572 1.00 0.00 C ATOM 0 H5' G A 2 -1.666 12.719 -1.658 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.816 14.386 -2.178 1.00 0.00 H new ATOM 0 H4' G A 2 -2.377 12.515 -3.846 1.00 0.00 H new ATOM 0 H3' G A 2 -3.982 15.049 -3.390 1.00 0.00 H new ATOM 0 H2' G A 2 -5.667 14.242 -4.995 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.324 12.372 -6.213 1.00 0.00 H new ATOM 0 H1' G A 2 -5.865 11.677 -4.025 1.00 0.00 H new ATOM 0 H8 G A 2 -5.158 14.745 -1.702 1.00 0.00 H new ATOM 0 H1 G A 2 -11.175 12.510 -1.810 1.00 0.00 H new ATOM 0 H21 G A 2 -10.012 10.460 -4.367 1.00 0.00 H new ATOM 0 H22 G A 2 -11.386 11.004 -3.400 1.00 0.00 H new ATOM 659 P G A 3 -3.002 16.198 -5.558 1.00 0.00 P ATOM 660 OP1 G A 3 -1.709 16.624 -6.138 1.00 0.00 O ATOM 661 OP2 G A 3 -3.648 17.041 -4.527 1.00 0.00 O ATOM 662 O5' G A 3 -4.048 16.008 -6.772 1.00 0.00 O ATOM 663 C5' G A 3 -3.760 15.135 -7.847 1.00 0.00 C ATOM 664 C4' G A 3 -4.597 15.484 -9.077 1.00 0.00 C ATOM 665 O4' G A 3 -5.960 15.668 -8.712 1.00 0.00 O ATOM 666 C3' G A 3 -4.092 16.765 -9.742 1.00 0.00 C ATOM 667 O3' G A 3 -4.069 16.539 -11.138 1.00 0.00 O ATOM 668 C2' G A 3 -5.132 17.790 -9.309 1.00 0.00 C ATOM 669 O2' G A 3 -5.319 18.837 -10.243 1.00 0.00 O ATOM 670 C1' G A 3 -6.385 16.940 -9.178 1.00 0.00 C ATOM 671 N9 G A 3 -7.366 17.544 -8.254 1.00 0.00 N ATOM 672 C8 G A 3 -7.213 18.606 -7.400 1.00 0.00 C ATOM 673 N7 G A 3 -8.286 18.902 -6.719 1.00 0.00 N ATOM 674 C5 G A 3 -9.224 17.972 -7.161 1.00 0.00 C ATOM 675 C6 G A 3 -10.587 17.796 -6.787 1.00 0.00 C ATOM 676 O6 G A 3 -11.233 18.422 -5.953 1.00 0.00 O ATOM 677 N1 G A 3 -11.187 16.772 -7.501 1.00 0.00 N ATOM 678 C2 G A 3 -10.557 15.985 -8.434 1.00 0.00 C ATOM 679 N2 G A 3 -11.293 15.036 -9.014 1.00 0.00 N ATOM 680 N3 G A 3 -9.273 16.127 -8.778 1.00 0.00 N ATOM 681 C4 G A 3 -8.669 17.142 -8.103 1.00 0.00 C ATOM 0 H5' G A 3 -3.959 14.106 -7.548 1.00 0.00 H new ATOM 0 H5'' G A 3 -2.700 15.195 -8.095 1.00 0.00 H new ATOM 0 H4' G A 3 -4.507 14.656 -9.780 1.00 0.00 H new ATOM 0 H3' G A 3 -3.088 17.092 -9.472 1.00 0.00 H new ATOM 0 H2' G A 3 -4.841 18.313 -8.398 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.448 19.209 -10.496 1.00 0.00 H new ATOM 0 H1' G A 3 -6.894 16.860 -10.139 1.00 0.00 H new ATOM 0 H8 G A 3 -6.285 19.150 -7.300 1.00 0.00 H new ATOM 0 H1 G A 3 -12.174 16.588 -7.320 1.00 0.00 H new ATOM 0 H21 G A 3 -10.875 14.423 -9.714 1.00 0.00 H new ATOM 0 H22 G A 3 -12.274 14.923 -8.757 1.00 0.00 H new ATOM 693 P U A 4 -3.368 17.572 -12.153 1.00 0.00 P ATOM 694 OP1 U A 4 -2.354 16.834 -12.943 1.00 0.00 O ATOM 695 OP2 U A 4 -2.977 18.784 -11.401 1.00 0.00 O ATOM 696 O5' U A 4 -4.596 17.950 -13.121 1.00 0.00 O ATOM 697 C5' U A 4 -4.948 17.094 -14.188 1.00 0.00 C ATOM 698 C4' U A 4 -6.357 17.402 -14.686 1.00 0.00 C ATOM 699 O4' U A 4 -7.332 16.954 -13.766 1.00 0.00 O ATOM 700 C3' U A 4 -6.624 18.888 -14.885 1.00 0.00 C ATOM 701 O3' U A 4 -6.094 19.346 -16.111 1.00 0.00 O ATOM 702 C2' U A 4 -8.149 18.918 -14.847 1.00 0.00 C ATOM 703 O2' U A 4 -8.692 18.776 -16.145 1.00 0.00 O ATOM 704 C1' U A 4 -8.522 17.676 -14.025 1.00 0.00 C ATOM 705 N1 U A 4 -9.188 18.058 -12.759 1.00 0.00 N ATOM 706 C2 U A 4 -10.482 17.597 -12.544 1.00 0.00 C ATOM 707 O2 U A 4 -11.049 16.835 -13.326 1.00 0.00 O ATOM 708 N3 U A 4 -11.107 18.040 -11.394 1.00 0.00 N ATOM 709 C4 U A 4 -10.553 18.869 -10.436 1.00 0.00 C ATOM 710 O4 U A 4 -11.203 19.208 -9.452 1.00 0.00 O ATOM 711 C5 U A 4 -9.189 19.267 -10.715 1.00 0.00 C ATOM 712 C6 U A 4 -8.558 18.859 -11.842 1.00 0.00 C ATOM 0 H5' U A 4 -4.892 16.056 -13.861 1.00 0.00 H new ATOM 0 H5'' U A 4 -4.235 17.210 -15.004 1.00 0.00 H new ATOM 0 H4' U A 4 -6.423 16.885 -15.643 1.00 0.00 H new ATOM 0 H3' U A 4 -6.159 19.542 -14.147 1.00 0.00 H new ATOM 0 H2' U A 4 -8.525 19.855 -14.436 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.633 19.631 -16.620 1.00 0.00 H new ATOM 0 H1' U A 4 -9.225 17.058 -14.583 1.00 0.00 H new ATOM 0 H3 U A 4 -12.065 17.727 -11.237 1.00 0.00 H new ATOM 0 H5 U A 4 -8.666 19.900 -10.013 1.00 0.00 H new ATOM 0 H6 U A 4 -7.540 19.171 -12.022 1.00 0.00 H new ATOM 723 P G A 5 -6.182 20.898 -16.536 1.00 0.00 P ATOM 724 OP1 G A 5 -7.533 21.399 -16.201 1.00 0.00 O ATOM 725 OP2 G A 5 -5.687 21.014 -17.926 1.00 0.00 O ATOM 726 O5' G A 5 -5.124 21.635 -15.566 1.00 0.00 O ATOM 727 C5' G A 5 -3.735 21.458 -15.742 1.00 0.00 C ATOM 728 C4' G A 5 -2.992 22.585 -15.027 1.00 0.00 C ATOM 729 O4' G A 5 -2.996 22.416 -13.617 1.00 0.00 O ATOM 730 C3' G A 5 -1.527 22.642 -15.437 1.00 0.00 C ATOM 731 O3' G A 5 -1.340 23.309 -16.668 1.00 0.00 O ATOM 732 C2' G A 5 -0.937 23.425 -14.273 1.00 0.00 C ATOM 733 O2' G A 5 -1.162 24.812 -14.442 1.00 0.00 O ATOM 734 C1' G A 5 -1.769 22.918 -13.094 1.00 0.00 C ATOM 735 N9 G A 5 -1.061 21.841 -12.366 1.00 0.00 N ATOM 736 C8 G A 5 0.033 21.111 -12.748 1.00 0.00 C ATOM 737 N7 G A 5 0.430 20.242 -11.858 1.00 0.00 N ATOM 738 C5 G A 5 -0.466 20.410 -10.804 1.00 0.00 C ATOM 739 C6 G A 5 -0.537 19.746 -9.544 1.00 0.00 C ATOM 740 O6 G A 5 0.189 18.854 -9.103 1.00 0.00 O ATOM 741 N1 G A 5 -1.586 20.223 -8.770 1.00 0.00 N ATOM 742 C2 G A 5 -2.458 21.218 -9.148 1.00 0.00 C ATOM 743 N2 G A 5 -3.407 21.551 -8.271 1.00 0.00 N ATOM 744 N3 G A 5 -2.395 21.849 -10.327 1.00 0.00 N ATOM 745 C4 G A 5 -1.383 21.389 -11.107 1.00 0.00 C ATOM 0 H5' G A 5 -3.488 21.459 -16.804 1.00 0.00 H new ATOM 0 H5'' G A 5 -3.426 20.492 -15.343 1.00 0.00 H new ATOM 0 H4' G A 5 -3.518 23.496 -15.311 1.00 0.00 H new ATOM 0 H3' G A 5 -1.072 21.666 -15.604 1.00 0.00 H new ATOM 0 H2' G A 5 0.139 23.293 -14.161 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.384 24.996 -15.379 1.00 0.00 H new ATOM 0 HO3' G A 5 -0.386 23.323 -16.891 1.00 0.00 H new ATOM 0 H1' G A 5 -1.945 23.732 -12.391 1.00 0.00 H new ATOM 0 H8 G A 5 0.524 21.242 -13.701 1.00 0.00 H new ATOM 0 H1 G A 5 -1.721 19.804 -7.850 1.00 0.00 H new ATOM 0 H21 G A 5 -4.080 22.283 -8.501 1.00 0.00 H new ATOM 0 H22 G A 5 -3.460 21.074 -7.371 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.822 22.746 -9.869 1.00 0.00 ZN