USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 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 NoAdj-H: A 334 HIS HD1 : A 334 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 369 LYS NZ :NH3+ 145:sc= -0.22 (180deg=-1.22!) USER MOD Set 1.2: A 371 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 331 SER OG : rot 180:sc= -0.297 USER MOD Single : A 333 THR OG1 : rot 41:sc= 0.208 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot -14:sc= 0.834 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.42) USER MOD Single : A 347 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.6!) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0461) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl -126:sc= -0.0159 (180deg=-0.291) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 HIS : no HD1:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot 180:sc= -1.43! USER MOD Single : A 368 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.6!) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 88.583 -7.148 -19.488 1.00 0.00 N ATOM 2 CA GLY A 330 87.819 -8.095 -18.630 1.00 0.00 C ATOM 3 C GLY A 330 86.514 -7.505 -18.134 1.00 0.00 C ATOM 4 O GLY A 330 85.525 -7.463 -18.866 1.00 0.00 O ATOM 0 HA2 GLY A 330 87.612 -9.005 -19.194 1.00 0.00 H new ATOM 0 HA3 GLY A 330 88.432 -8.382 -17.776 1.00 0.00 H new ATOM 10 N SER A 331 86.510 -7.048 -16.886 1.00 0.00 N ATOM 11 CA SER A 331 85.316 -6.457 -16.292 1.00 0.00 C ATOM 12 C SER A 331 85.689 -5.449 -15.210 1.00 0.00 C ATOM 13 O SER A 331 86.469 -5.752 -14.307 1.00 0.00 O ATOM 14 CB SER A 331 84.421 -7.548 -15.702 1.00 0.00 C ATOM 15 OG SER A 331 84.482 -8.733 -16.478 1.00 0.00 O ATOM 0 H SER A 331 87.320 -7.075 -16.266 1.00 0.00 H new ATOM 0 HA SER A 331 84.770 -5.935 -17.078 1.00 0.00 H new ATOM 0 HB2 SER A 331 84.731 -7.763 -14.679 1.00 0.00 H new ATOM 0 HB3 SER A 331 83.392 -7.193 -15.655 1.00 0.00 H new ATOM 0 HG SER A 331 83.903 -9.415 -16.079 1.00 0.00 H new ATOM 21 N VAL A 332 85.127 -4.248 -15.308 1.00 0.00 N ATOM 22 CA VAL A 332 85.400 -3.195 -14.338 1.00 0.00 C ATOM 23 C VAL A 332 84.274 -3.085 -13.315 1.00 0.00 C ATOM 24 O VAL A 332 83.991 -2.002 -12.803 1.00 0.00 O ATOM 25 CB VAL A 332 85.587 -1.831 -15.027 1.00 0.00 C ATOM 26 CG1 VAL A 332 86.831 -1.840 -15.903 1.00 0.00 C ATOM 27 CG2 VAL A 332 84.354 -1.471 -15.842 1.00 0.00 C ATOM 0 H VAL A 332 84.480 -3.981 -16.050 1.00 0.00 H new ATOM 0 HA VAL A 332 86.325 -3.466 -13.829 1.00 0.00 H new ATOM 0 HB VAL A 332 85.720 -1.071 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 332 86.946 -0.867 -16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 332 87.707 -2.048 -15.289 1.00 0.00 H new ATOM 0 HG13 VAL A 332 86.732 -2.611 -16.667 1.00 0.00 H new ATOM 0 HG21 VAL A 332 84.505 -0.504 -16.322 1.00 0.00 H new ATOM 0 HG22 VAL A 332 84.187 -2.232 -16.604 1.00 0.00 H new ATOM 0 HG23 VAL A 332 83.486 -1.419 -15.185 1.00 0.00 H new ATOM 37 N THR A 333 83.635 -4.213 -13.022 1.00 0.00 N ATOM 38 CA THR A 333 82.540 -4.243 -12.060 1.00 0.00 C ATOM 39 C THR A 333 83.027 -4.719 -10.695 1.00 0.00 C ATOM 40 O THR A 333 83.497 -5.847 -10.551 1.00 0.00 O ATOM 41 CB THR A 333 81.419 -5.156 -12.561 1.00 0.00 C ATOM 42 OG1 THR A 333 81.933 -6.421 -12.937 1.00 0.00 O ATOM 43 CG2 THR A 333 80.674 -4.590 -13.750 1.00 0.00 C ATOM 0 H THR A 333 83.857 -5.118 -13.437 1.00 0.00 H new ATOM 0 HA THR A 333 82.154 -3.229 -11.954 1.00 0.00 H new ATOM 0 HB THR A 333 80.724 -5.245 -11.726 1.00 0.00 H new ATOM 0 HG1 THR A 333 82.605 -6.708 -12.284 1.00 0.00 H new ATOM 0 HG21 THR A 333 79.893 -5.286 -14.055 1.00 0.00 H new ATOM 0 HG22 THR A 333 80.223 -3.636 -13.476 1.00 0.00 H new ATOM 0 HG23 THR A 333 81.369 -4.439 -14.576 1.00 0.00 H new ATOM 51 N HIS A 334 82.912 -3.850 -9.696 1.00 0.00 N ATOM 52 CA HIS A 334 83.340 -4.181 -8.342 1.00 0.00 C ATOM 53 C HIS A 334 82.282 -5.024 -7.637 1.00 0.00 C ATOM 54 O HIS A 334 81.083 -4.806 -7.814 1.00 0.00 O ATOM 55 CB HIS A 334 83.619 -2.903 -7.541 1.00 0.00 C ATOM 56 CG HIS A 334 84.337 -1.847 -8.327 1.00 0.00 C ATOM 57 ND1 HIS A 334 84.461 -0.558 -7.862 1.00 0.00 N ATOM 58 CD2 HIS A 334 84.935 -1.939 -9.541 1.00 0.00 C ATOM 59 CE1 HIS A 334 85.123 0.099 -8.800 1.00 0.00 C ATOM 60 NE2 HIS A 334 85.431 -0.696 -9.834 1.00 0.00 N ATOM 0 H HIS A 334 82.526 -2.911 -9.799 1.00 0.00 H new ATOM 0 HA HIS A 334 84.261 -4.761 -8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 334 82.674 -2.496 -7.181 1.00 0.00 H new ATOM 0 HB3 HIS A 334 84.212 -3.157 -6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 334 85.006 -2.822 -10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 334 85.383 1.146 -8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 334 85.938 -0.427 -10.677 1.00 0.00 H new ATOM 68 N ARG A 335 82.730 -5.992 -6.844 1.00 0.00 N ATOM 69 CA ARG A 335 81.816 -6.870 -6.121 1.00 0.00 C ATOM 70 C ARG A 335 81.555 -6.346 -4.715 1.00 0.00 C ATOM 71 O ARG A 335 82.486 -6.078 -3.955 1.00 0.00 O ATOM 72 CB ARG A 335 82.383 -8.289 -6.055 1.00 0.00 C ATOM 73 CG ARG A 335 81.515 -9.259 -5.269 1.00 0.00 C ATOM 74 CD ARG A 335 81.827 -10.703 -5.628 1.00 0.00 C ATOM 75 NE ARG A 335 81.767 -11.582 -4.462 1.00 0.00 N ATOM 76 CZ ARG A 335 82.723 -11.656 -3.539 1.00 0.00 C ATOM 77 NH1 ARG A 335 83.814 -10.907 -3.642 1.00 0.00 N ATOM 78 NH2 ARG A 335 82.588 -12.482 -2.511 1.00 0.00 N ATOM 0 H ARG A 335 83.718 -6.188 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 335 80.869 -6.891 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 335 82.509 -8.668 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 335 83.374 -8.254 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 335 81.672 -9.106 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 335 80.464 -9.052 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 335 81.119 -11.050 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 335 82.820 -10.759 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 335 80.944 -12.174 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 335 83.923 -10.270 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 335 84.543 -10.968 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 335 81.752 -13.060 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 335 83.320 -12.539 -1.803 1.00 0.00 H new ATOM 92 N PHE A 336 80.279 -6.196 -4.379 1.00 0.00 N ATOM 93 CA PHE A 336 79.875 -5.704 -3.087 1.00 0.00 C ATOM 94 C PHE A 336 79.597 -6.854 -2.117 1.00 0.00 C ATOM 95 O PHE A 336 79.289 -7.970 -2.534 1.00 0.00 O ATOM 96 CB PHE A 336 78.628 -4.853 -3.275 1.00 0.00 C ATOM 97 CG PHE A 336 78.873 -3.377 -3.159 1.00 0.00 C ATOM 98 CD1 PHE A 336 79.481 -2.851 -2.033 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.496 -2.516 -4.177 1.00 0.00 C ATOM 100 CE1 PHE A 336 79.709 -1.493 -1.921 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.720 -1.157 -4.072 1.00 0.00 C ATOM 102 CZ PHE A 336 79.328 -0.645 -2.943 1.00 0.00 C ATOM 0 H PHE A 336 79.502 -6.415 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 336 80.679 -5.108 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 336 78.201 -5.064 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 336 77.885 -5.147 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 336 79.781 -3.510 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 336 78.022 -2.912 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 336 80.184 -1.095 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.420 -0.496 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.506 0.417 -2.859 1.00 0.00 H new ATOM 112 N SER A 337 79.703 -6.568 -0.823 1.00 0.00 N ATOM 113 CA SER A 337 79.458 -7.571 0.211 1.00 0.00 C ATOM 114 C SER A 337 78.438 -7.057 1.222 1.00 0.00 C ATOM 115 O SER A 337 78.110 -5.873 1.230 1.00 0.00 O ATOM 116 CB SER A 337 80.763 -7.933 0.922 1.00 0.00 C ATOM 117 OG SER A 337 81.865 -7.862 0.033 1.00 0.00 O ATOM 0 H SER A 337 79.957 -5.648 -0.464 1.00 0.00 H new ATOM 0 HA SER A 337 79.058 -8.465 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 337 80.924 -7.255 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 337 80.689 -8.939 1.335 1.00 0.00 H new ATOM 0 HG SER A 337 82.687 -8.096 0.512 1.00 0.00 H new ATOM 123 N THR A 338 77.933 -7.947 2.073 1.00 0.00 N ATOM 124 CA THR A 338 76.948 -7.556 3.078 1.00 0.00 C ATOM 125 C THR A 338 77.556 -7.530 4.476 1.00 0.00 C ATOM 126 O THR A 338 78.346 -8.399 4.845 1.00 0.00 O ATOM 127 CB THR A 338 75.744 -8.500 3.059 1.00 0.00 C ATOM 128 OG1 THR A 338 75.136 -8.511 1.779 1.00 0.00 O ATOM 129 CG2 THR A 338 74.679 -8.129 4.073 1.00 0.00 C ATOM 0 H THR A 338 78.187 -8.935 2.087 1.00 0.00 H new ATOM 0 HA THR A 338 76.616 -6.549 2.827 1.00 0.00 H new ATOM 0 HB THR A 338 76.140 -9.483 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 338 74.369 -9.121 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 338 73.853 -8.837 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 338 75.105 -8.159 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 338 74.313 -7.124 3.865 1.00 0.00 H new ATOM 137 N LYS A 339 77.169 -6.522 5.247 1.00 0.00 N ATOM 138 CA LYS A 339 77.648 -6.354 6.610 1.00 0.00 C ATOM 139 C LYS A 339 76.590 -5.653 7.457 1.00 0.00 C ATOM 140 O LYS A 339 75.851 -4.798 6.961 1.00 0.00 O ATOM 141 CB LYS A 339 78.949 -5.549 6.624 1.00 0.00 C ATOM 142 CG LYS A 339 80.197 -6.410 6.517 1.00 0.00 C ATOM 143 CD LYS A 339 80.777 -6.723 7.886 1.00 0.00 C ATOM 144 CE LYS A 339 81.661 -7.959 7.848 1.00 0.00 C ATOM 145 NZ LYS A 339 81.561 -8.752 9.104 1.00 0.00 N ATOM 0 H LYS A 339 76.515 -5.800 4.944 1.00 0.00 H new ATOM 0 HA LYS A 339 77.843 -7.340 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 339 78.936 -4.838 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 339 78.997 -4.967 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 339 79.956 -7.340 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 339 80.944 -5.896 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 339 81.357 -5.871 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 339 79.967 -6.876 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 339 81.376 -8.583 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 339 82.697 -7.660 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 82.179 -9.586 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 81.857 -8.165 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 80.577 -9.060 9.243 1.00 0.00 H new ATOM 159 N SER A 340 76.520 -6.020 8.731 1.00 0.00 N ATOM 160 CA SER A 340 75.552 -5.427 9.645 1.00 0.00 C ATOM 161 C SER A 340 76.003 -5.595 11.093 1.00 0.00 C ATOM 162 O SER A 340 75.513 -6.468 11.809 1.00 0.00 O ATOM 163 CB SER A 340 74.177 -6.069 9.450 1.00 0.00 C ATOM 164 OG SER A 340 73.687 -5.837 8.140 1.00 0.00 O ATOM 0 H SER A 340 77.122 -6.726 9.155 1.00 0.00 H new ATOM 0 HA SER A 340 75.483 -4.362 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 340 74.244 -7.142 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 340 73.476 -5.665 10.181 1.00 0.00 H new ATOM 0 HG SER A 340 74.216 -5.131 7.713 1.00 0.00 H new ATOM 170 N TRP A 341 76.943 -4.756 11.516 1.00 0.00 N ATOM 171 CA TRP A 341 77.465 -4.815 12.878 1.00 0.00 C ATOM 172 C TRP A 341 76.344 -4.656 13.904 1.00 0.00 C ATOM 173 O TRP A 341 75.833 -5.643 14.433 1.00 0.00 O ATOM 174 CB TRP A 341 78.530 -3.735 13.086 1.00 0.00 C ATOM 175 CG TRP A 341 79.799 -4.000 12.336 1.00 0.00 C ATOM 176 CD1 TRP A 341 80.833 -4.799 12.731 1.00 0.00 C ATOM 177 CD2 TRP A 341 80.170 -3.463 11.061 1.00 0.00 C ATOM 178 NE1 TRP A 341 81.824 -4.793 11.779 1.00 0.00 N ATOM 179 CE2 TRP A 341 81.441 -3.980 10.745 1.00 0.00 C ATOM 180 CE3 TRP A 341 79.551 -2.597 10.156 1.00 0.00 C ATOM 181 CZ2 TRP A 341 82.102 -3.659 9.562 1.00 0.00 C ATOM 182 CZ3 TRP A 341 80.208 -2.278 8.982 1.00 0.00 C ATOM 183 CH2 TRP A 341 81.472 -2.808 8.694 1.00 0.00 C ATOM 0 H TRP A 341 77.359 -4.027 10.936 1.00 0.00 H new ATOM 0 HA TRP A 341 77.921 -5.794 13.023 1.00 0.00 H new ATOM 0 HB2 TRP A 341 78.126 -2.772 12.774 1.00 0.00 H new ATOM 0 HB3 TRP A 341 78.755 -3.657 14.150 1.00 0.00 H new ATOM 0 HD1 TRP A 341 80.867 -5.355 13.656 1.00 0.00 H new ATOM 0 HE1 TRP A 341 82.702 -5.310 11.833 1.00 0.00 H new ATOM 0 HE3 TRP A 341 78.576 -2.184 10.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 83.077 -4.067 9.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 79.739 -1.609 8.276 1.00 0.00 H new ATOM 0 HH2 TRP A 341 81.960 -2.540 7.768 1.00 0.00 H new ATOM 194 N LEU A 342 75.966 -3.410 14.182 1.00 0.00 N ATOM 195 CA LEU A 342 74.906 -3.129 15.145 1.00 0.00 C ATOM 196 C LEU A 342 74.680 -1.626 15.280 1.00 0.00 C ATOM 197 O LEU A 342 73.561 -1.140 15.123 1.00 0.00 O ATOM 198 CB LEU A 342 75.253 -3.727 16.511 1.00 0.00 C ATOM 199 CG LEU A 342 74.067 -4.308 17.283 1.00 0.00 C ATOM 200 CD1 LEU A 342 73.792 -5.737 16.843 1.00 0.00 C ATOM 201 CD2 LEU A 342 74.328 -4.250 18.781 1.00 0.00 C ATOM 0 H LEU A 342 76.378 -2.581 13.754 1.00 0.00 H new ATOM 0 HA LEU A 342 73.987 -3.588 14.779 1.00 0.00 H new ATOM 0 HB2 LEU A 342 75.995 -4.513 16.369 1.00 0.00 H new ATOM 0 HB3 LEU A 342 75.721 -2.954 17.121 1.00 0.00 H new ATOM 0 HG LEU A 342 73.185 -3.707 17.064 1.00 0.00 H new ATOM 0 HD11 LEU A 342 72.945 -6.134 17.403 1.00 0.00 H new ATOM 0 HD12 LEU A 342 73.561 -5.752 15.778 1.00 0.00 H new ATOM 0 HD13 LEU A 342 74.672 -6.352 17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 342 73.475 -4.667 19.315 1.00 0.00 H new ATOM 0 HD22 LEU A 342 75.222 -4.828 19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 342 74.475 -3.214 19.085 1.00 0.00 H new ATOM 213 N SER A 343 75.752 -0.897 15.571 1.00 0.00 N ATOM 214 CA SER A 343 75.672 0.551 15.727 1.00 0.00 C ATOM 215 C SER A 343 76.193 1.262 14.482 1.00 0.00 C ATOM 216 O SER A 343 76.722 2.370 14.564 1.00 0.00 O ATOM 217 CB SER A 343 76.468 0.998 16.954 1.00 0.00 C ATOM 218 OG SER A 343 75.832 0.587 18.152 1.00 0.00 O ATOM 0 H SER A 343 76.686 -1.285 15.704 1.00 0.00 H new ATOM 0 HA SER A 343 74.624 0.819 15.865 1.00 0.00 H new ATOM 0 HB2 SER A 343 77.474 0.580 16.911 1.00 0.00 H new ATOM 0 HB3 SER A 343 76.573 2.083 16.948 1.00 0.00 H new ATOM 0 HG SER A 343 76.361 0.883 18.922 1.00 0.00 H new ATOM 224 N GLN A 344 76.039 0.616 13.330 1.00 0.00 N ATOM 225 CA GLN A 344 76.493 1.187 12.068 1.00 0.00 C ATOM 226 C GLN A 344 75.345 1.876 11.338 1.00 0.00 C ATOM 227 O GLN A 344 74.197 1.438 11.414 1.00 0.00 O ATOM 228 CB GLN A 344 77.098 0.098 11.179 1.00 0.00 C ATOM 229 CG GLN A 344 78.039 0.635 10.114 1.00 0.00 C ATOM 230 CD GLN A 344 79.145 1.496 10.693 1.00 0.00 C ATOM 231 OE1 GLN A 344 79.156 2.714 10.517 1.00 0.00 O ATOM 232 NE2 GLN A 344 80.083 0.864 11.388 1.00 0.00 N ATOM 0 H GLN A 344 75.604 -0.302 13.245 1.00 0.00 H new ATOM 0 HA GLN A 344 77.258 1.932 12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 344 77.639 -0.612 11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 344 76.292 -0.454 10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 344 78.481 -0.200 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 344 77.469 1.220 9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 344 80.034 -0.148 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 344 80.853 1.390 11.801 1.00 0.00 H new ATOM 241 N VAL A 345 75.662 2.956 10.632 1.00 0.00 N ATOM 242 CA VAL A 345 74.657 3.705 9.889 1.00 0.00 C ATOM 243 C VAL A 345 75.073 3.889 8.432 1.00 0.00 C ATOM 244 O VAL A 345 76.247 4.111 8.134 1.00 0.00 O ATOM 245 CB VAL A 345 74.403 5.088 10.523 1.00 0.00 C ATOM 246 CG1 VAL A 345 73.316 5.839 9.765 1.00 0.00 C ATOM 247 CG2 VAL A 345 74.032 4.939 11.992 1.00 0.00 C ATOM 0 H VAL A 345 76.607 3.332 10.559 1.00 0.00 H new ATOM 0 HA VAL A 345 73.736 3.124 9.928 1.00 0.00 H new ATOM 0 HB VAL A 345 75.322 5.670 10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 345 73.154 6.811 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 345 73.625 5.979 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 345 72.390 5.265 9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 345 73.856 5.924 12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 345 73.127 4.337 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 345 74.847 4.449 12.525 1.00 0.00 H new ATOM 257 N CYS A 346 74.100 3.795 7.531 1.00 0.00 N ATOM 258 CA CYS A 346 74.351 3.950 6.100 1.00 0.00 C ATOM 259 C CYS A 346 75.214 5.180 5.821 1.00 0.00 C ATOM 260 O CYS A 346 75.025 6.233 6.430 1.00 0.00 O ATOM 261 CB CYS A 346 73.021 4.058 5.348 1.00 0.00 C ATOM 262 SG CYS A 346 73.191 4.196 3.539 1.00 0.00 S ATOM 0 H CYS A 346 73.125 3.611 7.767 1.00 0.00 H new ATOM 0 HA CYS A 346 74.894 3.072 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 346 72.415 3.182 5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 346 72.478 4.928 5.717 1.00 0.00 H new ATOM 267 N ASN A 347 76.163 5.041 4.895 1.00 0.00 N ATOM 268 CA ASN A 347 77.052 6.145 4.538 1.00 0.00 C ATOM 269 C ASN A 347 76.495 6.946 3.364 1.00 0.00 C ATOM 270 O ASN A 347 77.244 7.587 2.626 1.00 0.00 O ATOM 271 CB ASN A 347 78.446 5.621 4.186 1.00 0.00 C ATOM 272 CG ASN A 347 79.429 5.778 5.329 1.00 0.00 C ATOM 273 OD1 ASN A 347 79.218 5.249 6.421 1.00 0.00 O ATOM 274 ND2 ASN A 347 80.511 6.508 5.084 1.00 0.00 N ATOM 0 H ASN A 347 76.335 4.177 4.380 1.00 0.00 H new ATOM 0 HA ASN A 347 77.123 6.803 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 347 78.377 4.568 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 347 78.821 6.154 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 347 81.208 6.649 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.645 6.928 4.164 1.00 0.00 H new ATOM 281 N VAL A 348 75.181 6.904 3.198 1.00 0.00 N ATOM 282 CA VAL A 348 74.521 7.623 2.116 1.00 0.00 C ATOM 283 C VAL A 348 73.340 8.433 2.642 1.00 0.00 C ATOM 284 O VAL A 348 73.385 9.663 2.676 1.00 0.00 O ATOM 285 CB VAL A 348 74.027 6.657 1.018 1.00 0.00 C ATOM 286 CG1 VAL A 348 73.672 7.421 -0.247 1.00 0.00 C ATOM 287 CG2 VAL A 348 75.076 5.594 0.727 1.00 0.00 C ATOM 0 H VAL A 348 74.548 6.378 3.801 1.00 0.00 H new ATOM 0 HA VAL A 348 75.258 8.299 1.684 1.00 0.00 H new ATOM 0 HB VAL A 348 73.128 6.159 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 348 73.326 6.723 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 348 72.882 8.140 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 348 74.553 7.949 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 348 74.709 4.923 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 348 75.995 6.073 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 348 75.277 5.024 1.634 1.00 0.00 H new ATOM 297 N CYS A 349 72.287 7.736 3.059 1.00 0.00 N ATOM 298 CA CYS A 349 71.097 8.391 3.592 1.00 0.00 C ATOM 299 C CYS A 349 71.192 8.557 5.108 1.00 0.00 C ATOM 300 O CYS A 349 70.485 9.374 5.696 1.00 0.00 O ATOM 301 CB CYS A 349 69.843 7.593 3.232 1.00 0.00 C ATOM 302 SG CYS A 349 69.824 5.898 3.900 1.00 0.00 S ATOM 0 H CYS A 349 72.234 6.718 3.038 1.00 0.00 H new ATOM 0 HA CYS A 349 71.031 9.382 3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 349 68.967 8.127 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 349 69.754 7.546 2.147 1.00 0.00 H new ATOM 307 N GLN A 350 72.072 7.772 5.735 1.00 0.00 N ATOM 308 CA GLN A 350 72.271 7.820 7.185 1.00 0.00 C ATOM 309 C GLN A 350 70.941 7.866 7.937 1.00 0.00 C ATOM 310 O GLN A 350 70.342 8.929 8.098 1.00 0.00 O ATOM 311 CB GLN A 350 73.138 9.022 7.573 1.00 0.00 C ATOM 312 CG GLN A 350 72.680 10.340 6.968 1.00 0.00 C ATOM 313 CD GLN A 350 73.488 11.521 7.467 1.00 0.00 C ATOM 314 OE1 GLN A 350 72.982 12.366 8.206 1.00 0.00 O ATOM 315 NE2 GLN A 350 74.752 11.587 7.065 1.00 0.00 N ATOM 0 H GLN A 350 72.662 7.091 5.256 1.00 0.00 H new ATOM 0 HA GLN A 350 72.787 6.904 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 350 73.145 9.116 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 350 74.165 8.830 7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 350 72.758 10.284 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 350 71.628 10.498 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 350 75.131 10.865 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 350 75.344 12.360 7.369 1.00 0.00 H new ATOM 324 N LYS A 351 70.490 6.704 8.399 1.00 0.00 N ATOM 325 CA LYS A 351 69.235 6.609 9.138 1.00 0.00 C ATOM 326 C LYS A 351 69.284 5.468 10.151 1.00 0.00 C ATOM 327 O LYS A 351 70.247 4.702 10.192 1.00 0.00 O ATOM 328 CB LYS A 351 68.066 6.400 8.174 1.00 0.00 C ATOM 329 CG LYS A 351 67.618 7.674 7.476 1.00 0.00 C ATOM 330 CD LYS A 351 66.166 7.586 7.035 1.00 0.00 C ATOM 331 CE LYS A 351 65.947 8.275 5.698 1.00 0.00 C ATOM 332 NZ LYS A 351 66.318 9.716 5.749 1.00 0.00 N ATOM 0 H LYS A 351 70.974 5.815 8.275 1.00 0.00 H new ATOM 0 HA LYS A 351 69.089 7.544 9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 351 68.353 5.665 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 351 67.223 5.981 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 351 67.744 8.522 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 351 68.252 7.857 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 351 65.871 6.540 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 351 65.527 8.043 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 351 66.538 7.775 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 351 64.901 8.179 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 66.075 10.169 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 65.798 10.181 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 67.340 9.806 5.918 1.00 0.00 H new ATOM 346 N SER A 352 68.240 5.363 10.967 1.00 0.00 N ATOM 347 CA SER A 352 68.161 4.316 11.981 1.00 0.00 C ATOM 348 C SER A 352 68.092 2.936 11.335 1.00 0.00 C ATOM 349 O SER A 352 67.023 2.483 10.926 1.00 0.00 O ATOM 350 CB SER A 352 66.940 4.535 12.876 1.00 0.00 C ATOM 351 OG SER A 352 66.820 3.500 13.837 1.00 0.00 O ATOM 0 H SER A 352 67.436 5.990 10.946 1.00 0.00 H new ATOM 0 HA SER A 352 69.063 4.367 12.590 1.00 0.00 H new ATOM 0 HB2 SER A 352 67.024 5.497 13.382 1.00 0.00 H new ATOM 0 HB3 SER A 352 66.039 4.574 12.264 1.00 0.00 H new ATOM 0 HG SER A 352 66.033 3.664 14.398 1.00 0.00 H new ATOM 357 N MET A 353 69.241 2.273 11.246 1.00 0.00 N ATOM 358 CA MET A 353 69.319 0.943 10.648 1.00 0.00 C ATOM 359 C MET A 353 70.759 0.445 10.631 1.00 0.00 C ATOM 360 O MET A 353 71.680 1.177 10.995 1.00 0.00 O ATOM 361 CB MET A 353 68.765 0.962 9.218 1.00 0.00 C ATOM 362 CG MET A 353 69.050 2.254 8.465 1.00 0.00 C ATOM 363 SD MET A 353 67.562 3.225 8.154 1.00 0.00 S ATOM 364 CE MET A 353 66.691 2.154 7.012 1.00 0.00 C ATOM 0 H MET A 353 70.133 2.636 11.581 1.00 0.00 H new ATOM 0 HA MET A 353 68.717 0.266 11.254 1.00 0.00 H new ATOM 0 HB2 MET A 353 69.191 0.127 8.662 1.00 0.00 H new ATOM 0 HB3 MET A 353 67.687 0.804 9.254 1.00 0.00 H new ATOM 0 HG2 MET A 353 69.757 2.854 9.038 1.00 0.00 H new ATOM 0 HG3 MET A 353 69.529 2.017 7.515 1.00 0.00 H new ATOM 0 HE1 MET A 353 66.441 2.711 6.109 1.00 0.00 H new ATOM 0 HE2 MET A 353 67.326 1.307 6.752 1.00 0.00 H new ATOM 0 HE3 MET A 353 65.776 1.791 7.480 1.00 0.00 H new ATOM 374 N ILE A 354 70.958 -0.772 10.136 1.00 0.00 N ATOM 375 CA ILE A 354 72.265 -1.320 9.991 1.00 0.00 C ATOM 376 C ILE A 354 72.299 -2.085 8.703 1.00 0.00 C ATOM 377 O ILE A 354 71.995 -3.274 8.616 1.00 0.00 O ATOM 378 CB ILE A 354 72.636 -2.256 11.136 1.00 0.00 C ATOM 379 CG1 ILE A 354 72.778 -1.462 12.431 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.917 -3.022 10.821 1.00 0.00 C ATOM 381 CD1 ILE A 354 71.541 -1.496 13.302 1.00 0.00 C ATOM 0 H ILE A 354 70.207 -1.391 9.830 1.00 0.00 H new ATOM 0 HA ILE A 354 72.985 -0.502 9.999 1.00 0.00 H new ATOM 0 HB ILE A 354 71.838 -2.988 11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 354 73.622 -1.855 12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.013 -0.426 12.188 1.00 0.00 H new ATOM 0 HG21 ILE A 354 74.160 -3.683 11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 354 73.774 -3.614 9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 354 74.734 -2.317 10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 354 71.715 -0.910 14.205 1.00 0.00 H new ATOM 0 HD12 ILE A 354 70.698 -1.075 12.754 1.00 0.00 H new ATOM 0 HD13 ILE A 354 71.317 -2.527 13.576 1.00 0.00 H new ATOM 393 N PHE A 355 72.705 -1.358 7.746 1.00 0.00 N ATOM 394 CA PHE A 355 72.870 -1.836 6.384 1.00 0.00 C ATOM 395 C PHE A 355 74.163 -1.296 5.790 1.00 0.00 C ATOM 396 O PHE A 355 74.375 -0.083 5.758 1.00 0.00 O ATOM 397 CB PHE A 355 71.678 -1.420 5.522 1.00 0.00 C ATOM 398 CG PHE A 355 70.610 -2.472 5.427 1.00 0.00 C ATOM 399 CD1 PHE A 355 70.878 -3.700 4.844 1.00 0.00 C ATOM 400 CD2 PHE A 355 69.338 -2.233 5.921 1.00 0.00 C ATOM 401 CE1 PHE A 355 69.898 -4.670 4.755 1.00 0.00 C ATOM 402 CE2 PHE A 355 68.353 -3.199 5.835 1.00 0.00 C ATOM 403 CZ PHE A 355 68.633 -4.419 5.251 1.00 0.00 C ATOM 0 H PHE A 355 72.948 -0.374 7.863 1.00 0.00 H new ATOM 0 HA PHE A 355 72.920 -2.925 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 355 71.243 -0.509 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 355 72.031 -1.181 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 355 71.865 -3.901 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 355 69.113 -1.281 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 355 70.120 -5.623 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 355 67.365 -3.000 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 355 67.865 -5.175 5.182 1.00 0.00 H new ATOM 413 N GLY A 356 75.026 -2.185 5.320 1.00 0.00 N ATOM 414 CA GLY A 356 76.277 -1.742 4.740 1.00 0.00 C ATOM 415 C GLY A 356 76.761 -2.639 3.623 1.00 0.00 C ATOM 416 O GLY A 356 76.536 -3.844 3.642 1.00 0.00 O ATOM 0 H GLY A 356 74.885 -3.195 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.155 -0.729 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.038 -1.699 5.520 1.00 0.00 H new ATOM 420 N VAL A 357 77.440 -2.046 2.653 1.00 0.00 N ATOM 421 CA VAL A 357 77.981 -2.794 1.531 1.00 0.00 C ATOM 422 C VAL A 357 79.430 -2.392 1.298 1.00 0.00 C ATOM 423 O VAL A 357 79.759 -1.208 1.302 1.00 0.00 O ATOM 424 CB VAL A 357 77.158 -2.577 0.242 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.725 -3.047 0.442 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.190 -1.117 -0.190 1.00 0.00 C ATOM 0 H VAL A 357 77.630 -1.044 2.621 1.00 0.00 H new ATOM 0 HA VAL A 357 77.927 -3.854 1.779 1.00 0.00 H new ATOM 0 HB VAL A 357 77.610 -3.170 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 357 75.158 -2.887 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 357 75.722 -4.108 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 357 75.267 -2.483 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.602 -0.994 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.770 -0.494 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 357 78.220 -0.816 -0.380 1.00 0.00 H new ATOM 436 N LYS A 358 80.302 -3.373 1.115 1.00 0.00 N ATOM 437 CA LYS A 358 81.715 -3.086 0.907 1.00 0.00 C ATOM 438 C LYS A 358 82.106 -3.246 -0.555 1.00 0.00 C ATOM 439 O LYS A 358 81.988 -4.329 -1.127 1.00 0.00 O ATOM 440 CB LYS A 358 82.575 -4.003 1.778 1.00 0.00 C ATOM 441 CG LYS A 358 83.856 -3.350 2.269 1.00 0.00 C ATOM 442 CD LYS A 358 84.314 -3.944 3.591 1.00 0.00 C ATOM 443 CE LYS A 358 84.823 -5.365 3.416 1.00 0.00 C ATOM 444 NZ LYS A 358 84.471 -6.229 4.576 1.00 0.00 N ATOM 0 H LYS A 358 80.061 -4.364 1.106 1.00 0.00 H new ATOM 0 HA LYS A 358 81.888 -2.049 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 358 81.989 -4.327 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 358 82.828 -4.898 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 358 84.639 -3.476 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 358 83.697 -2.278 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 358 85.103 -3.324 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 358 83.486 -3.938 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 358 84.402 -5.791 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 358 85.906 -5.350 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 84.836 -7.190 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 84.893 -5.837 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 83.437 -6.265 4.681 1.00 0.00 H new ATOM 458 N CYS A 359 82.590 -2.161 -1.146 1.00 0.00 N ATOM 459 CA CYS A 359 83.020 -2.173 -2.535 1.00 0.00 C ATOM 460 C CYS A 359 84.538 -2.242 -2.599 1.00 0.00 C ATOM 461 O CYS A 359 85.226 -1.440 -1.965 1.00 0.00 O ATOM 462 CB CYS A 359 82.494 -0.925 -3.273 1.00 0.00 C ATOM 463 SG CYS A 359 83.761 0.312 -3.736 1.00 0.00 S ATOM 0 H CYS A 359 82.694 -1.259 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 359 82.608 -3.052 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 359 81.981 -1.250 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.750 -0.438 -2.642 1.00 0.00 H new ATOM 468 N LYS A 360 85.062 -3.186 -3.369 1.00 0.00 N ATOM 469 CA LYS A 360 86.459 -3.335 -3.517 1.00 0.00 C ATOM 470 C LYS A 360 86.951 -2.365 -4.563 1.00 0.00 C ATOM 471 O LYS A 360 86.209 -1.509 -5.044 1.00 0.00 O ATOM 472 CB LYS A 360 86.768 -4.772 -3.918 1.00 0.00 C ATOM 473 CG LYS A 360 87.334 -5.618 -2.789 1.00 0.00 C ATOM 474 CD LYS A 360 86.447 -5.567 -1.555 1.00 0.00 C ATOM 475 CE LYS A 360 85.117 -6.261 -1.795 1.00 0.00 C ATOM 476 NZ LYS A 360 85.245 -7.744 -1.740 1.00 0.00 N ATOM 0 H LYS A 360 84.509 -3.859 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 360 86.967 -3.120 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 360 85.856 -5.240 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 360 87.479 -4.764 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 360 87.436 -6.651 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 360 88.334 -5.265 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 360 86.960 -6.041 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 360 86.271 -4.528 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 360 84.396 -5.931 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 360 84.725 -5.967 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 84.316 -8.179 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 85.914 -8.062 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 85.595 -8.028 -0.803 1.00 0.00 H new ATOM 490 N HIS A 361 88.200 -2.513 -4.897 1.00 0.00 N ATOM 491 CA HIS A 361 88.855 -1.660 -5.888 1.00 0.00 C ATOM 492 C HIS A 361 88.956 -0.209 -5.401 1.00 0.00 C ATOM 493 O HIS A 361 89.910 0.497 -5.729 1.00 0.00 O ATOM 494 CB HIS A 361 88.098 -1.711 -7.217 1.00 0.00 C ATOM 495 CG HIS A 361 87.916 -3.098 -7.749 1.00 0.00 C ATOM 496 ND1 HIS A 361 88.775 -3.672 -8.663 1.00 0.00 N ATOM 497 CD2 HIS A 361 86.967 -4.029 -7.492 1.00 0.00 C ATOM 498 CE1 HIS A 361 88.362 -4.895 -8.945 1.00 0.00 C ATOM 499 NE2 HIS A 361 87.268 -5.136 -8.247 1.00 0.00 N ATOM 0 H HIS A 361 88.809 -3.227 -4.497 1.00 0.00 H new ATOM 0 HA HIS A 361 89.866 -2.040 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 361 87.119 -1.250 -7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 361 88.635 -1.115 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 361 86.129 -3.921 -6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 361 88.838 -5.581 -9.630 1.00 0.00 H new ATOM 0 HE2 HIS A 361 86.733 -6.004 -8.265 1.00 0.00 H new ATOM 508 N CYS A 362 87.964 0.232 -4.627 1.00 0.00 N ATOM 509 CA CYS A 362 87.933 1.595 -4.106 1.00 0.00 C ATOM 510 C CYS A 362 87.824 1.599 -2.582 1.00 0.00 C ATOM 511 O CYS A 362 88.415 2.446 -1.912 1.00 0.00 O ATOM 512 CB CYS A 362 86.752 2.372 -4.703 1.00 0.00 C ATOM 513 SG CYS A 362 86.097 1.690 -6.264 1.00 0.00 S ATOM 0 H CYS A 362 87.168 -0.340 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 362 88.867 2.079 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 362 85.946 2.401 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 362 87.063 3.402 -4.875 1.00 0.00 H new ATOM 518 N ARG A 363 87.057 0.651 -2.043 1.00 0.00 N ATOM 519 CA ARG A 363 86.854 0.542 -0.597 1.00 0.00 C ATOM 520 C ARG A 363 85.869 1.600 -0.107 1.00 0.00 C ATOM 521 O ARG A 363 86.267 2.690 0.304 1.00 0.00 O ATOM 522 CB ARG A 363 88.183 0.674 0.155 1.00 0.00 C ATOM 523 CG ARG A 363 89.310 -0.150 -0.447 1.00 0.00 C ATOM 524 CD ARG A 363 88.925 -1.616 -0.569 1.00 0.00 C ATOM 525 NE ARG A 363 90.097 -2.485 -0.648 1.00 0.00 N ATOM 526 CZ ARG A 363 90.829 -2.644 -1.749 1.00 0.00 C ATOM 527 NH1 ARG A 363 90.513 -1.996 -2.864 1.00 0.00 N ATOM 528 NH2 ARG A 363 91.879 -3.453 -1.735 1.00 0.00 N ATOM 0 H ARG A 363 86.564 -0.056 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 363 86.438 -0.445 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 363 88.479 1.723 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 363 88.036 0.370 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 363 89.564 0.244 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 363 90.201 -0.057 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 363 88.317 -1.904 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 363 88.309 -1.756 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 363 90.370 -3.000 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 363 89.706 -1.373 -2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 363 91.077 -2.122 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 363 92.126 -3.953 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 363 92.440 -3.575 -2.578 1.00 0.00 H new ATOM 542 N LEU A 364 84.580 1.271 -0.159 1.00 0.00 N ATOM 543 CA LEU A 364 83.533 2.196 0.274 1.00 0.00 C ATOM 544 C LEU A 364 82.439 1.463 1.048 1.00 0.00 C ATOM 545 O LEU A 364 82.365 0.235 1.019 1.00 0.00 O ATOM 546 CB LEU A 364 82.923 2.902 -0.939 1.00 0.00 C ATOM 547 CG LEU A 364 82.092 4.148 -0.622 1.00 0.00 C ATOM 548 CD1 LEU A 364 82.869 5.098 0.277 1.00 0.00 C ATOM 549 CD2 LEU A 364 81.676 4.849 -1.906 1.00 0.00 C ATOM 0 H LEU A 364 84.235 0.372 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 364 83.986 2.935 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.728 3.185 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 364 82.292 2.191 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 364 81.193 3.835 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 364 82.260 5.977 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 364 83.118 4.594 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 364 83.787 5.405 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 364 81.086 5.733 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 364 82.565 5.148 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 364 81.079 4.170 -2.514 1.00 0.00 H new ATOM 561 N LYS A 365 81.583 2.221 1.731 1.00 0.00 N ATOM 562 CA LYS A 365 80.491 1.633 2.495 1.00 0.00 C ATOM 563 C LYS A 365 79.177 2.337 2.174 1.00 0.00 C ATOM 564 O LYS A 365 79.110 3.565 2.146 1.00 0.00 O ATOM 565 CB LYS A 365 80.779 1.706 3.995 1.00 0.00 C ATOM 566 CG LYS A 365 80.734 3.115 4.560 1.00 0.00 C ATOM 567 CD LYS A 365 81.492 3.215 5.873 1.00 0.00 C ATOM 568 CE LYS A 365 82.977 2.955 5.680 1.00 0.00 C ATOM 569 NZ LYS A 365 83.789 3.512 6.797 1.00 0.00 N ATOM 0 H LYS A 365 81.626 3.239 1.769 1.00 0.00 H new ATOM 0 HA LYS A 365 80.403 0.584 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 365 80.054 1.089 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.763 1.279 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 365 81.162 3.811 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.697 3.413 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.348 4.206 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.085 2.497 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 365 83.151 1.882 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 365 83.303 3.397 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 84.796 3.313 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 83.644 4.540 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 83.496 3.072 7.692 1.00 0.00 H new ATOM 583 N CYS A 366 78.141 1.549 1.917 1.00 0.00 N ATOM 584 CA CYS A 366 76.824 2.090 1.582 1.00 0.00 C ATOM 585 C CYS A 366 75.722 1.096 1.938 1.00 0.00 C ATOM 586 O CYS A 366 75.978 -0.092 2.115 1.00 0.00 O ATOM 587 CB CYS A 366 76.724 2.444 0.090 1.00 0.00 C ATOM 588 SG CYS A 366 78.285 2.920 -0.695 1.00 0.00 S ATOM 0 H CYS A 366 78.185 0.530 1.933 1.00 0.00 H new ATOM 0 HA CYS A 366 76.694 3.000 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 366 76.314 1.587 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 366 76.013 3.262 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 366 78.075 3.193 -1.949 1.00 0.00 H new ATOM 594 N HIS A 367 74.492 1.596 2.036 1.00 0.00 N ATOM 595 CA HIS A 367 73.331 0.764 2.360 1.00 0.00 C ATOM 596 C HIS A 367 73.341 -0.534 1.557 1.00 0.00 C ATOM 597 O HIS A 367 74.169 -0.715 0.666 1.00 0.00 O ATOM 598 CB HIS A 367 72.046 1.535 2.049 1.00 0.00 C ATOM 599 CG HIS A 367 71.158 1.748 3.232 1.00 0.00 C ATOM 600 ND1 HIS A 367 70.937 3.005 3.729 1.00 0.00 N ATOM 601 CD2 HIS A 367 70.454 0.849 3.960 1.00 0.00 C ATOM 602 CE1 HIS A 367 70.106 2.851 4.746 1.00 0.00 C ATOM 603 NE2 HIS A 367 69.785 1.560 4.924 1.00 0.00 N ATOM 0 H HIS A 367 74.271 2.582 1.895 1.00 0.00 H new ATOM 0 HA HIS A 367 73.376 0.517 3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 367 72.310 2.505 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 367 71.489 0.996 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 367 70.425 -0.220 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 367 69.733 3.661 5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 367 69.163 1.181 5.638 1.00 0.00 H new ATOM 611 N ASN A 368 72.395 -1.425 1.852 1.00 0.00 N ATOM 612 CA ASN A 368 72.292 -2.689 1.126 1.00 0.00 C ATOM 613 C ASN A 368 72.384 -2.435 -0.377 1.00 0.00 C ATOM 614 O ASN A 368 72.859 -3.278 -1.138 1.00 0.00 O ATOM 615 CB ASN A 368 70.975 -3.392 1.461 1.00 0.00 C ATOM 616 CG ASN A 368 71.129 -4.898 1.542 1.00 0.00 C ATOM 617 OD1 ASN A 368 72.239 -5.414 1.675 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.012 -5.612 1.463 1.00 0.00 N ATOM 0 H ASN A 368 71.695 -1.296 2.582 1.00 0.00 H new ATOM 0 HA ASN A 368 73.116 -3.335 1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.597 -3.016 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 368 70.232 -3.146 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 368 70.053 -6.630 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 368 69.113 -5.142 1.353 1.00 0.00 H new ATOM 625 N LYS A 369 71.937 -1.250 -0.784 1.00 0.00 N ATOM 626 CA LYS A 369 71.973 -0.843 -2.179 1.00 0.00 C ATOM 627 C LYS A 369 72.078 0.677 -2.275 1.00 0.00 C ATOM 628 O LYS A 369 73.138 1.216 -2.596 1.00 0.00 O ATOM 629 CB LYS A 369 70.725 -1.337 -2.914 1.00 0.00 C ATOM 630 CG LYS A 369 70.958 -2.603 -3.725 1.00 0.00 C ATOM 631 CD LYS A 369 72.147 -2.453 -4.661 1.00 0.00 C ATOM 632 CE LYS A 369 71.842 -3.007 -6.044 1.00 0.00 C ATOM 633 NZ LYS A 369 70.600 -2.419 -6.617 1.00 0.00 N ATOM 0 H LYS A 369 71.542 -0.550 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 369 72.848 -1.289 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 369 69.934 -1.522 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 369 70.369 -0.550 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 369 71.128 -3.442 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 369 70.064 -2.835 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.417 -1.400 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 369 73.009 -2.972 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 369 72.681 -2.803 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 369 71.737 -4.090 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 70.709 -2.312 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 69.795 -3.046 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 70.427 -1.487 -6.188 1.00 0.00 H new ATOM 647 N CYS A 370 70.972 1.359 -1.981 1.00 0.00 N ATOM 648 CA CYS A 370 70.920 2.824 -2.016 1.00 0.00 C ATOM 649 C CYS A 370 71.689 3.387 -3.211 1.00 0.00 C ATOM 650 O CYS A 370 72.250 4.480 -3.142 1.00 0.00 O ATOM 651 CB CYS A 370 71.483 3.403 -0.715 1.00 0.00 C ATOM 652 SG CYS A 370 70.223 3.729 0.565 1.00 0.00 S ATOM 0 H CYS A 370 70.092 0.918 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 370 69.875 3.115 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 370 72.223 2.711 -0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 370 72.005 4.333 -0.940 1.00 0.00 H new ATOM 657 N THR A 371 71.711 2.630 -4.302 1.00 0.00 N ATOM 658 CA THR A 371 72.411 3.049 -5.511 1.00 0.00 C ATOM 659 C THR A 371 71.864 4.375 -6.029 1.00 0.00 C ATOM 660 O THR A 371 72.598 5.178 -6.606 1.00 0.00 O ATOM 661 CB THR A 371 72.288 1.976 -6.593 1.00 0.00 C ATOM 662 OG1 THR A 371 71.002 1.383 -6.568 1.00 0.00 O ATOM 663 CG2 THR A 371 73.308 0.866 -6.455 1.00 0.00 C ATOM 0 H THR A 371 71.252 1.722 -4.374 1.00 0.00 H new ATOM 0 HA THR A 371 73.463 3.186 -5.261 1.00 0.00 H new ATOM 0 HB THR A 371 72.465 2.495 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 371 70.943 0.700 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 371 73.165 0.139 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 371 74.312 1.284 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 371 73.183 0.374 -5.490 1.00 0.00 H new ATOM 671 N LYS A 372 70.571 4.597 -5.822 1.00 0.00 N ATOM 672 CA LYS A 372 69.925 5.825 -6.269 1.00 0.00 C ATOM 673 C LYS A 372 70.499 7.041 -5.548 1.00 0.00 C ATOM 674 O LYS A 372 70.475 8.154 -6.074 1.00 0.00 O ATOM 675 CB LYS A 372 68.415 5.746 -6.034 1.00 0.00 C ATOM 676 CG LYS A 372 67.616 6.730 -6.873 1.00 0.00 C ATOM 677 CD LYS A 372 67.088 6.081 -8.141 1.00 0.00 C ATOM 678 CE LYS A 372 68.220 5.613 -9.041 1.00 0.00 C ATOM 679 NZ LYS A 372 67.712 4.949 -10.273 1.00 0.00 N ATOM 0 H LYS A 372 69.949 3.942 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 372 70.117 5.936 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 372 68.074 4.734 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 372 68.210 5.930 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 372 66.782 7.117 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 372 68.244 7.582 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 372 66.455 5.233 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 372 66.462 6.792 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 372 68.840 6.466 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 372 68.858 4.920 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 68.515 4.645 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 67.141 4.120 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 67.124 5.618 -10.811 1.00 0.00 H new ATOM 693 N GLU A 373 71.013 6.824 -4.341 1.00 0.00 N ATOM 694 CA GLU A 373 71.589 7.906 -3.551 1.00 0.00 C ATOM 695 C GLU A 373 73.112 7.904 -3.645 1.00 0.00 C ATOM 696 O GLU A 373 73.722 8.910 -4.009 1.00 0.00 O ATOM 697 CB GLU A 373 71.156 7.783 -2.089 1.00 0.00 C ATOM 698 CG GLU A 373 69.653 7.878 -1.889 1.00 0.00 C ATOM 699 CD GLU A 373 69.206 9.268 -1.479 1.00 0.00 C ATOM 700 OE1 GLU A 373 69.601 10.242 -2.153 1.00 0.00 O ATOM 701 OE2 GLU A 373 68.461 9.382 -0.483 1.00 0.00 O ATOM 0 H GLU A 373 71.042 5.910 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 373 71.222 8.850 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 373 71.507 6.830 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 373 71.642 8.567 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 373 69.149 7.596 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 373 69.346 7.162 -1.127 1.00 0.00 H new ATOM 708 N ALA A 374 73.721 6.770 -3.312 1.00 0.00 N ATOM 709 CA ALA A 374 75.174 6.641 -3.357 1.00 0.00 C ATOM 710 C ALA A 374 75.711 6.938 -4.755 1.00 0.00 C ATOM 711 O ALA A 374 75.048 6.664 -5.755 1.00 0.00 O ATOM 712 CB ALA A 374 75.595 5.249 -2.912 1.00 0.00 C ATOM 0 H ALA A 374 73.232 5.928 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 374 75.599 7.374 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 374 76.681 5.168 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 374 75.254 5.075 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 374 75.152 4.506 -3.574 1.00 0.00 H new ATOM 718 N PRO A 375 76.927 7.507 -4.842 1.00 0.00 N ATOM 719 CA PRO A 375 77.550 7.841 -6.125 1.00 0.00 C ATOM 720 C PRO A 375 78.100 6.612 -6.841 1.00 0.00 C ATOM 721 O PRO A 375 77.817 5.478 -6.454 1.00 0.00 O ATOM 722 CB PRO A 375 78.688 8.778 -5.723 1.00 0.00 C ATOM 723 CG PRO A 375 79.060 8.347 -4.347 1.00 0.00 C ATOM 724 CD PRO A 375 77.787 7.869 -3.698 1.00 0.00 C ATOM 0 HA PRO A 375 76.839 8.281 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 375 79.532 8.693 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 375 78.368 9.820 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 375 79.805 7.552 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 375 79.497 9.172 -3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 375 77.966 7.015 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 375 77.332 8.648 -3.086 1.00 0.00 H new ATOM 732 N ALA A 376 78.887 6.845 -7.886 1.00 0.00 N ATOM 733 CA ALA A 376 79.478 5.757 -8.655 1.00 0.00 C ATOM 734 C ALA A 376 80.842 5.370 -8.097 1.00 0.00 C ATOM 735 O ALA A 376 81.667 6.232 -7.792 1.00 0.00 O ATOM 736 CB ALA A 376 79.597 6.151 -10.120 1.00 0.00 C ATOM 0 H ALA A 376 79.130 7.778 -8.220 1.00 0.00 H new ATOM 0 HA ALA A 376 78.823 4.890 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 376 80.040 5.329 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 376 78.607 6.372 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 376 80.229 7.034 -10.209 1.00 0.00 H new ATOM 742 N CYS A 377 81.075 4.068 -7.964 1.00 0.00 N ATOM 743 CA CYS A 377 82.340 3.567 -7.442 1.00 0.00 C ATOM 744 C CYS A 377 83.506 4.013 -8.319 1.00 0.00 C ATOM 745 O CYS A 377 83.727 3.468 -9.400 1.00 0.00 O ATOM 746 CB CYS A 377 82.307 2.039 -7.348 1.00 0.00 C ATOM 747 SG CYS A 377 82.714 1.388 -5.695 1.00 0.00 S ATOM 0 H CYS A 377 80.403 3.341 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 377 82.483 3.981 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.314 1.689 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 377 83.008 1.626 -8.073 1.00 0.00 H new ATOM 752 N ARG A 378 84.249 5.009 -7.845 1.00 0.00 N ATOM 753 CA ARG A 378 85.392 5.529 -8.586 1.00 0.00 C ATOM 754 C ARG A 378 86.469 4.461 -8.746 1.00 0.00 C ATOM 755 O ARG A 378 86.119 3.262 -8.733 1.00 0.00 O ATOM 756 CB ARG A 378 85.973 6.752 -7.874 1.00 0.00 C ATOM 757 CG ARG A 378 86.795 7.652 -8.782 1.00 0.00 C ATOM 758 CD ARG A 378 87.537 8.716 -7.989 1.00 0.00 C ATOM 759 NE ARG A 378 88.766 8.197 -7.393 1.00 0.00 N ATOM 760 CZ ARG A 378 89.406 8.784 -6.384 1.00 0.00 C ATOM 761 NH1 ARG A 378 88.938 9.909 -5.857 1.00 0.00 N ATOM 762 NH2 ARG A 378 90.517 8.246 -5.902 1.00 0.00 N ATOM 763 OXT ARG A 378 87.654 4.832 -8.884 1.00 0.00 O ATOM 0 H ARG A 378 84.080 5.471 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 378 85.047 5.823 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 378 85.157 7.333 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 378 86.598 6.417 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 378 87.510 7.050 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 378 86.141 8.130 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 378 87.777 9.554 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 378 86.887 9.101 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 378 89.156 7.334 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 378 88.084 10.328 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 378 89.432 10.354 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 378 90.882 7.382 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 378 91.008 8.696 -5.129 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 84.530 -0.007 -5.905 1.00 0.00 ZN HETATM 779 ZN ZN A 2 71.138 4.596 2.537 1.00 0.00 ZN