USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=14 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 344 GLN : amide:sc= -1.33 X(o=-2.6,f=-3) USER MOD Set 1.2: A 365 LYS NZ :NH3+ -173:sc= -1.27 (180deg=0) USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0 USER MOD Single : A 337 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.206) USER MOD Single : A 340 SER OG : rot 44:sc= 1.08 USER MOD Single : A 343 SER OG : rot 8:sc= 1.03 USER MOD Single : A 347 ASN : amide:sc= -0.694 X(o=-0.69,f=-1.1) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.079) USER MOD Single : A 352 SER OG : rot 44:sc= 0.776 USER MOD Single : A 353 MET CE :methyl 157:sc= -12! (180deg=-13.3!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 152:sc= -0.323 (180deg=-1.44!) USER MOD Single : A 361 HIS : no HD1:sc= -0.721 K(o=-0.72,f=-2.1) USER MOD Single : A 366 CYS SG : rot -105:sc= -0.123 USER MOD Single : A 368 ASN : amide:sc= -4.13 K(o=-4.1,f=-13!) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 85.899 -3.843 -20.012 1.00 0.00 N ATOM 2 CA GLY A 330 84.533 -3.360 -19.669 1.00 0.00 C ATOM 3 C GLY A 330 84.325 -3.222 -18.173 1.00 0.00 C ATOM 4 O GLY A 330 83.291 -3.628 -17.643 1.00 0.00 O ATOM 0 HA2 GLY A 330 84.361 -2.396 -20.147 1.00 0.00 H new ATOM 0 HA3 GLY A 330 83.794 -4.052 -20.073 1.00 0.00 H new ATOM 10 N SER A 331 85.310 -2.647 -17.492 1.00 0.00 N ATOM 11 CA SER A 331 85.231 -2.456 -16.048 1.00 0.00 C ATOM 12 C SER A 331 84.768 -1.043 -15.710 1.00 0.00 C ATOM 13 O SER A 331 85.189 -0.074 -16.342 1.00 0.00 O ATOM 14 CB SER A 331 86.590 -2.728 -15.401 1.00 0.00 C ATOM 15 OG SER A 331 87.384 -3.572 -16.218 1.00 0.00 O ATOM 0 H SER A 331 86.172 -2.305 -17.916 1.00 0.00 H new ATOM 0 HA SER A 331 84.501 -3.162 -15.653 1.00 0.00 H new ATOM 0 HB2 SER A 331 87.111 -1.786 -15.232 1.00 0.00 H new ATOM 0 HB3 SER A 331 86.446 -3.192 -14.425 1.00 0.00 H new ATOM 0 HG SER A 331 88.248 -3.729 -15.783 1.00 0.00 H new ATOM 21 N VAL A 332 83.899 -0.933 -14.711 1.00 0.00 N ATOM 22 CA VAL A 332 83.379 0.362 -14.289 1.00 0.00 C ATOM 23 C VAL A 332 82.907 0.319 -12.840 1.00 0.00 C ATOM 24 O VAL A 332 82.663 -0.753 -12.288 1.00 0.00 O ATOM 25 CB VAL A 332 82.211 0.817 -15.184 1.00 0.00 C ATOM 26 CG1 VAL A 332 82.693 1.073 -16.603 1.00 0.00 C ATOM 27 CG2 VAL A 332 81.095 -0.216 -15.170 1.00 0.00 C ATOM 0 H VAL A 332 83.540 -1.725 -14.178 1.00 0.00 H new ATOM 0 HA VAL A 332 84.197 1.076 -14.381 1.00 0.00 H new ATOM 0 HB VAL A 332 81.815 1.752 -14.786 1.00 0.00 H new ATOM 0 HG11 VAL A 332 81.854 1.393 -17.220 1.00 0.00 H new ATOM 0 HG12 VAL A 332 83.455 1.853 -16.593 1.00 0.00 H new ATOM 0 HG13 VAL A 332 83.117 0.157 -17.014 1.00 0.00 H new ATOM 0 HG21 VAL A 332 80.278 0.122 -15.808 1.00 0.00 H new ATOM 0 HG22 VAL A 332 81.475 -1.168 -15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 332 80.730 -0.344 -14.151 1.00 0.00 H new ATOM 37 N THR A 333 82.781 1.493 -12.229 1.00 0.00 N ATOM 38 CA THR A 333 82.337 1.589 -10.843 1.00 0.00 C ATOM 39 C THR A 333 80.815 1.584 -10.758 1.00 0.00 C ATOM 40 O THR A 333 80.139 2.306 -11.491 1.00 0.00 O ATOM 41 CB THR A 333 82.891 2.859 -10.196 1.00 0.00 C ATOM 42 OG1 THR A 333 84.101 3.253 -10.819 1.00 0.00 O ATOM 43 CG2 THR A 333 83.167 2.705 -8.716 1.00 0.00 C ATOM 0 H THR A 333 82.980 2.390 -12.672 1.00 0.00 H new ATOM 0 HA THR A 333 82.716 0.720 -10.305 1.00 0.00 H new ATOM 0 HB THR A 333 82.115 3.612 -10.329 1.00 0.00 H new ATOM 0 HG1 THR A 333 84.438 4.068 -10.392 1.00 0.00 H new ATOM 0 HG21 THR A 333 83.558 3.642 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 333 82.243 2.449 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 333 83.900 1.913 -8.563 1.00 0.00 H new ATOM 51 N HIS A 334 80.281 0.765 -9.857 1.00 0.00 N ATOM 52 CA HIS A 334 78.837 0.665 -9.675 1.00 0.00 C ATOM 53 C HIS A 334 78.303 1.883 -8.929 1.00 0.00 C ATOM 54 O HIS A 334 79.053 2.579 -8.244 1.00 0.00 O ATOM 55 CB HIS A 334 78.485 -0.617 -8.917 1.00 0.00 C ATOM 56 CG HIS A 334 79.253 -1.815 -9.385 1.00 0.00 C ATOM 57 ND1 HIS A 334 79.290 -2.979 -8.655 1.00 0.00 N ATOM 58 CD2 HIS A 334 80.000 -1.970 -10.506 1.00 0.00 C ATOM 59 CE1 HIS A 334 80.055 -3.810 -9.343 1.00 0.00 C ATOM 60 NE2 HIS A 334 80.507 -3.243 -10.471 1.00 0.00 N ATOM 0 H HIS A 334 80.826 0.161 -9.242 1.00 0.00 H new ATOM 0 HA HIS A 334 78.368 0.631 -10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 334 78.675 -0.466 -7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 334 77.418 -0.813 -9.026 1.00 0.00 H new ATOM 0 HD2 HIS A 334 80.164 -1.232 -11.278 1.00 0.00 H new ATOM 0 HE1 HIS A 334 80.287 -4.819 -9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 334 81.112 -3.676 -11.169 1.00 0.00 H new ATOM 68 N ARG A 335 77.006 2.140 -9.067 1.00 0.00 N ATOM 69 CA ARG A 335 76.384 3.281 -8.406 1.00 0.00 C ATOM 70 C ARG A 335 75.769 2.875 -7.074 1.00 0.00 C ATOM 71 O ARG A 335 74.912 1.994 -7.009 1.00 0.00 O ATOM 72 CB ARG A 335 75.321 3.907 -9.310 1.00 0.00 C ATOM 73 CG ARG A 335 74.560 5.056 -8.665 1.00 0.00 C ATOM 74 CD ARG A 335 75.223 6.394 -8.954 1.00 0.00 C ATOM 75 NE ARG A 335 76.666 6.349 -8.729 1.00 0.00 N ATOM 76 CZ ARG A 335 77.233 6.424 -7.527 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.482 6.548 -6.439 1.00 0.00 N ATOM 78 NH2 ARG A 335 78.553 6.376 -7.412 1.00 0.00 N ATOM 0 H ARG A 335 76.368 1.576 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 335 77.161 4.020 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 335 75.799 4.267 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 335 74.611 3.135 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 335 73.535 5.069 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 335 74.507 4.900 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 335 75.026 6.681 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 335 74.781 7.162 -8.320 1.00 0.00 H new ATOM 0 HE ARG A 335 77.275 6.254 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 335 75.466 6.586 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 335 76.921 6.605 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 335 79.134 6.282 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 335 78.987 6.434 -6.491 1.00 0.00 H new ATOM 92 N PHE A 336 76.223 3.529 -6.015 1.00 0.00 N ATOM 93 CA PHE A 336 75.752 3.269 -4.680 1.00 0.00 C ATOM 94 C PHE A 336 74.810 4.377 -4.207 1.00 0.00 C ATOM 95 O PHE A 336 74.852 5.497 -4.715 1.00 0.00 O ATOM 96 CB PHE A 336 76.965 3.190 -3.760 1.00 0.00 C ATOM 97 CG PHE A 336 77.307 1.803 -3.293 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.398 1.059 -2.560 1.00 0.00 C ATOM 99 CD2 PHE A 336 78.543 1.247 -3.582 1.00 0.00 C ATOM 100 CE1 PHE A 336 76.714 -0.214 -2.124 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.866 -0.025 -3.148 1.00 0.00 C ATOM 102 CZ PHE A 336 77.950 -0.757 -2.418 1.00 0.00 C ATOM 0 H PHE A 336 76.934 4.259 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 336 75.195 2.332 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 336 77.827 3.607 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 336 76.785 3.819 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 336 75.431 1.478 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 336 79.263 1.814 -4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 336 75.995 -0.784 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 336 79.833 -0.446 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 336 78.199 -1.751 -2.078 1.00 0.00 H new ATOM 112 N SER A 337 73.974 4.062 -3.224 1.00 0.00 N ATOM 113 CA SER A 337 73.037 5.037 -2.671 1.00 0.00 C ATOM 114 C SER A 337 73.181 5.098 -1.154 1.00 0.00 C ATOM 115 O SER A 337 73.180 4.065 -0.490 1.00 0.00 O ATOM 116 CB SER A 337 71.600 4.671 -3.048 1.00 0.00 C ATOM 117 OG SER A 337 71.460 3.273 -3.230 1.00 0.00 O ATOM 0 H SER A 337 73.925 3.139 -2.792 1.00 0.00 H new ATOM 0 HA SER A 337 73.267 6.017 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 337 70.919 5.009 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 337 71.318 5.190 -3.964 1.00 0.00 H new ATOM 0 HG SER A 337 70.532 3.065 -3.469 1.00 0.00 H new ATOM 123 N THR A 338 73.319 6.306 -0.609 1.00 0.00 N ATOM 124 CA THR A 338 73.484 6.473 0.834 1.00 0.00 C ATOM 125 C THR A 338 72.148 6.629 1.551 1.00 0.00 C ATOM 126 O THR A 338 71.253 7.339 1.092 1.00 0.00 O ATOM 127 CB THR A 338 74.375 7.676 1.145 1.00 0.00 C ATOM 128 OG1 THR A 338 75.626 7.557 0.492 1.00 0.00 O ATOM 129 CG2 THR A 338 74.642 7.851 2.628 1.00 0.00 C ATOM 0 H THR A 338 73.320 7.177 -1.140 1.00 0.00 H new ATOM 0 HA THR A 338 73.961 5.564 1.201 1.00 0.00 H new ATOM 0 HB THR A 338 73.826 8.546 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 338 76.180 8.337 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 338 75.280 8.721 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 338 73.698 7.995 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 338 75.140 6.962 3.015 1.00 0.00 H new ATOM 137 N LYS A 339 72.040 5.960 2.692 1.00 0.00 N ATOM 138 CA LYS A 339 70.842 6.002 3.516 1.00 0.00 C ATOM 139 C LYS A 339 71.211 5.794 4.983 1.00 0.00 C ATOM 140 O LYS A 339 72.192 5.112 5.293 1.00 0.00 O ATOM 141 CB LYS A 339 69.846 4.930 3.067 1.00 0.00 C ATOM 142 CG LYS A 339 68.394 5.312 3.305 1.00 0.00 C ATOM 143 CD LYS A 339 67.482 4.715 2.246 1.00 0.00 C ATOM 144 CE LYS A 339 67.071 3.295 2.602 1.00 0.00 C ATOM 145 NZ LYS A 339 68.103 2.300 2.198 1.00 0.00 N ATOM 0 H LYS A 339 72.783 5.373 3.071 1.00 0.00 H new ATOM 0 HA LYS A 339 70.374 6.980 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 339 69.992 4.732 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 339 70.060 4.002 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 339 68.083 4.968 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 339 68.297 6.398 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 339 66.593 5.336 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 339 67.991 4.717 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 339 66.900 3.225 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 339 66.126 3.057 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 67.683 1.349 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 68.457 2.533 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 68.891 2.322 2.876 1.00 0.00 H new ATOM 159 N SER A 340 70.429 6.384 5.879 1.00 0.00 N ATOM 160 CA SER A 340 70.682 6.260 7.310 1.00 0.00 C ATOM 161 C SER A 340 69.376 6.128 8.087 1.00 0.00 C ATOM 162 O SER A 340 68.652 7.106 8.273 1.00 0.00 O ATOM 163 CB SER A 340 71.468 7.471 7.816 1.00 0.00 C ATOM 164 OG SER A 340 70.687 8.651 7.748 1.00 0.00 O ATOM 0 H SER A 340 69.616 6.952 5.641 1.00 0.00 H new ATOM 0 HA SER A 340 71.271 5.357 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 340 71.784 7.299 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 340 72.373 7.595 7.221 1.00 0.00 H new ATOM 0 HG SER A 340 69.785 8.466 8.083 1.00 0.00 H new ATOM 170 N TRP A 341 69.081 4.913 8.539 1.00 0.00 N ATOM 171 CA TRP A 341 67.861 4.656 9.296 1.00 0.00 C ATOM 172 C TRP A 341 67.867 3.247 9.882 1.00 0.00 C ATOM 173 O TRP A 341 68.626 2.383 9.441 1.00 0.00 O ATOM 174 CB TRP A 341 66.632 4.843 8.404 1.00 0.00 C ATOM 175 CG TRP A 341 66.067 6.229 8.451 1.00 0.00 C ATOM 176 CD1 TRP A 341 66.039 7.138 7.432 1.00 0.00 C ATOM 177 CD2 TRP A 341 65.450 6.867 9.576 1.00 0.00 C ATOM 178 NE1 TRP A 341 65.441 8.301 7.854 1.00 0.00 N ATOM 179 CE2 TRP A 341 65.071 8.159 9.166 1.00 0.00 C ATOM 180 CE3 TRP A 341 65.181 6.470 10.888 1.00 0.00 C ATOM 181 CZ2 TRP A 341 64.438 9.056 10.023 1.00 0.00 C ATOM 182 CZ3 TRP A 341 64.552 7.361 11.738 1.00 0.00 C ATOM 183 CH2 TRP A 341 64.186 8.641 11.302 1.00 0.00 C ATOM 0 H TRP A 341 69.669 4.092 8.394 1.00 0.00 H new ATOM 0 HA TRP A 341 67.819 5.371 10.118 1.00 0.00 H new ATOM 0 HB2 TRP A 341 66.899 4.603 7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 341 65.861 4.134 8.707 1.00 0.00 H new ATOM 0 HD1 TRP A 341 66.430 6.968 6.440 1.00 0.00 H new ATOM 0 HE1 TRP A 341 65.296 9.134 7.284 1.00 0.00 H new ATOM 0 HE3 TRP A 341 65.459 5.485 11.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 64.156 10.044 9.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 64.339 7.065 12.755 1.00 0.00 H new ATOM 0 HH2 TRP A 341 63.695 9.314 11.989 1.00 0.00 H new ATOM 194 N LEU A 342 67.013 3.022 10.876 1.00 0.00 N ATOM 195 CA LEU A 342 66.915 1.719 11.523 1.00 0.00 C ATOM 196 C LEU A 342 68.251 1.300 12.131 1.00 0.00 C ATOM 197 O LEU A 342 68.497 0.115 12.351 1.00 0.00 O ATOM 198 CB LEU A 342 66.447 0.663 10.519 1.00 0.00 C ATOM 199 CG LEU A 342 65.570 -0.444 11.105 1.00 0.00 C ATOM 200 CD1 LEU A 342 64.599 -0.966 10.058 1.00 0.00 C ATOM 201 CD2 LEU A 342 66.433 -1.575 11.646 1.00 0.00 C ATOM 0 H LEU A 342 66.378 3.727 11.251 1.00 0.00 H new ATOM 0 HA LEU A 342 66.184 1.800 12.328 1.00 0.00 H new ATOM 0 HB2 LEU A 342 65.893 1.161 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 342 67.324 0.206 10.060 1.00 0.00 H new ATOM 0 HG LEU A 342 64.992 -0.027 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 342 63.983 -1.753 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 342 63.960 -0.152 9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 342 65.157 -1.368 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 342 65.793 -2.355 12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 342 67.036 -1.991 10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 342 67.088 -1.191 12.428 1.00 0.00 H new ATOM 213 N SER A 343 69.111 2.279 12.404 1.00 0.00 N ATOM 214 CA SER A 343 70.421 2.006 12.990 1.00 0.00 C ATOM 215 C SER A 343 71.166 0.937 12.193 1.00 0.00 C ATOM 216 O SER A 343 71.410 -0.164 12.687 1.00 0.00 O ATOM 217 CB SER A 343 70.268 1.563 14.446 1.00 0.00 C ATOM 218 OG SER A 343 69.707 0.264 14.528 1.00 0.00 O ATOM 0 H SER A 343 68.925 3.266 12.229 1.00 0.00 H new ATOM 0 HA SER A 343 71.005 2.926 12.957 1.00 0.00 H new ATOM 0 HB2 SER A 343 71.241 1.574 14.937 1.00 0.00 H new ATOM 0 HB3 SER A 343 69.634 2.271 14.980 1.00 0.00 H new ATOM 0 HG SER A 343 69.652 -0.126 13.631 1.00 0.00 H new ATOM 224 N GLN A 344 71.523 1.270 10.957 1.00 0.00 N ATOM 225 CA GLN A 344 72.237 0.339 10.091 1.00 0.00 C ATOM 226 C GLN A 344 73.708 0.243 10.484 1.00 0.00 C ATOM 227 O GLN A 344 74.236 1.115 11.173 1.00 0.00 O ATOM 228 CB GLN A 344 72.115 0.776 8.630 1.00 0.00 C ATOM 229 CG GLN A 344 71.995 -0.385 7.656 1.00 0.00 C ATOM 230 CD GLN A 344 70.554 -0.758 7.369 1.00 0.00 C ATOM 231 OE1 GLN A 344 69.780 0.053 6.862 1.00 0.00 O ATOM 232 NE2 GLN A 344 70.187 -1.993 7.693 1.00 0.00 N ATOM 0 H GLN A 344 71.330 2.177 10.533 1.00 0.00 H new ATOM 0 HA GLN A 344 71.785 -0.646 10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 344 71.242 1.420 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 344 72.987 1.374 8.364 1.00 0.00 H new ATOM 0 HG2 GLN A 344 72.492 -0.124 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 344 72.517 -1.251 8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 344 70.862 -2.632 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 344 69.230 -2.302 7.523 1.00 0.00 H new ATOM 241 N VAL A 345 74.362 -0.825 10.040 1.00 0.00 N ATOM 242 CA VAL A 345 75.772 -1.041 10.339 1.00 0.00 C ATOM 243 C VAL A 345 76.560 -1.326 9.060 1.00 0.00 C ATOM 244 O VAL A 345 76.086 -2.042 8.178 1.00 0.00 O ATOM 245 CB VAL A 345 75.961 -2.212 11.324 1.00 0.00 C ATOM 246 CG1 VAL A 345 75.443 -3.510 10.723 1.00 0.00 C ATOM 247 CG2 VAL A 345 77.422 -2.348 11.727 1.00 0.00 C ATOM 0 H VAL A 345 73.936 -1.556 9.470 1.00 0.00 H new ATOM 0 HA VAL A 345 76.149 -0.128 10.800 1.00 0.00 H new ATOM 0 HB VAL A 345 75.381 -1.998 12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 345 75.586 -4.323 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 345 74.382 -3.408 10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 345 75.990 -3.730 9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 345 77.532 -3.180 12.422 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.028 -2.533 10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 345 77.754 -1.428 12.208 1.00 0.00 H new ATOM 257 N CYS A 346 77.762 -0.766 8.966 1.00 0.00 N ATOM 258 CA CYS A 346 78.611 -0.966 7.794 1.00 0.00 C ATOM 259 C CYS A 346 78.819 -2.456 7.521 1.00 0.00 C ATOM 260 O CYS A 346 79.016 -3.242 8.448 1.00 0.00 O ATOM 261 CB CYS A 346 79.964 -0.272 7.993 1.00 0.00 C ATOM 262 SG CYS A 346 81.087 -0.410 6.564 1.00 0.00 S ATOM 0 H CYS A 346 78.171 -0.170 9.686 1.00 0.00 H new ATOM 0 HA CYS A 346 78.111 -0.525 6.932 1.00 0.00 H new ATOM 0 HB2 CYS A 346 79.791 0.783 8.206 1.00 0.00 H new ATOM 0 HB3 CYS A 346 80.454 -0.698 8.869 1.00 0.00 H new ATOM 267 N ASN A 347 78.769 -2.841 6.246 1.00 0.00 N ATOM 268 CA ASN A 347 78.948 -4.241 5.862 1.00 0.00 C ATOM 269 C ASN A 347 80.408 -4.551 5.537 1.00 0.00 C ATOM 270 O ASN A 347 80.702 -5.481 4.785 1.00 0.00 O ATOM 271 CB ASN A 347 78.069 -4.587 4.657 1.00 0.00 C ATOM 272 CG ASN A 347 76.803 -5.319 5.055 1.00 0.00 C ATOM 273 OD1 ASN A 347 76.396 -6.279 4.402 1.00 0.00 O ATOM 274 ND2 ASN A 347 76.172 -4.867 6.133 1.00 0.00 N ATOM 0 H ASN A 347 78.607 -2.206 5.464 1.00 0.00 H new ATOM 0 HA ASN A 347 78.648 -4.851 6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 347 77.805 -3.671 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 347 78.638 -5.203 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 347 75.314 -5.319 6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 347 76.545 -4.067 6.645 1.00 0.00 H new ATOM 281 N VAL A 348 81.317 -3.772 6.107 1.00 0.00 N ATOM 282 CA VAL A 348 82.745 -3.966 5.882 1.00 0.00 C ATOM 283 C VAL A 348 83.517 -3.906 7.196 1.00 0.00 C ATOM 284 O VAL A 348 84.060 -4.911 7.655 1.00 0.00 O ATOM 285 CB VAL A 348 83.313 -2.908 4.916 1.00 0.00 C ATOM 286 CG1 VAL A 348 84.715 -3.291 4.468 1.00 0.00 C ATOM 287 CG2 VAL A 348 82.394 -2.729 3.717 1.00 0.00 C ATOM 0 H VAL A 348 81.091 -2.997 6.731 1.00 0.00 H new ATOM 0 HA VAL A 348 82.865 -4.953 5.435 1.00 0.00 H new ATOM 0 HB VAL A 348 83.372 -1.957 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 348 85.099 -2.532 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 348 85.368 -3.362 5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 348 84.684 -4.254 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 348 82.812 -1.978 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 348 82.299 -3.676 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 348 81.411 -2.404 4.057 1.00 0.00 H new ATOM 297 N CYS A 349 83.554 -2.723 7.799 1.00 0.00 N ATOM 298 CA CYS A 349 84.251 -2.527 9.065 1.00 0.00 C ATOM 299 C CYS A 349 83.327 -2.845 10.238 1.00 0.00 C ATOM 300 O CYS A 349 83.770 -3.318 11.285 1.00 0.00 O ATOM 301 CB CYS A 349 84.758 -1.089 9.168 1.00 0.00 C ATOM 302 SG CYS A 349 83.442 0.169 9.079 1.00 0.00 S ATOM 0 H CYS A 349 83.108 -1.883 7.430 1.00 0.00 H new ATOM 0 HA CYS A 349 85.103 -3.206 9.102 1.00 0.00 H new ATOM 0 HB2 CYS A 349 85.296 -0.971 10.108 1.00 0.00 H new ATOM 0 HB3 CYS A 349 85.474 -0.909 8.366 1.00 0.00 H new ATOM 307 N GLN A 350 82.036 -2.590 10.041 1.00 0.00 N ATOM 308 CA GLN A 350 81.017 -2.850 11.057 1.00 0.00 C ATOM 309 C GLN A 350 81.448 -2.396 12.452 1.00 0.00 C ATOM 310 O GLN A 350 81.789 -3.216 13.305 1.00 0.00 O ATOM 311 CB GLN A 350 80.661 -4.340 11.082 1.00 0.00 C ATOM 312 CG GLN A 350 81.865 -5.259 11.211 1.00 0.00 C ATOM 313 CD GLN A 350 81.471 -6.710 11.401 1.00 0.00 C ATOM 314 OE1 GLN A 350 81.129 -7.404 10.443 1.00 0.00 O ATOM 315 NE2 GLN A 350 81.518 -7.178 12.643 1.00 0.00 N ATOM 0 H GLN A 350 81.666 -2.198 9.175 1.00 0.00 H new ATOM 0 HA GLN A 350 80.139 -2.265 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 350 79.982 -4.527 11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 350 80.122 -4.590 10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 350 82.484 -5.168 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 350 82.474 -4.938 12.056 1.00 0.00 H new ATOM 0 HE21 GLN A 350 81.807 -6.568 13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 350 81.265 -8.148 12.833 1.00 0.00 H new ATOM 324 N LYS A 351 81.401 -1.087 12.687 1.00 0.00 N ATOM 325 CA LYS A 351 81.756 -0.532 13.990 1.00 0.00 C ATOM 326 C LYS A 351 80.935 0.718 14.295 1.00 0.00 C ATOM 327 O LYS A 351 80.945 1.687 13.537 1.00 0.00 O ATOM 328 CB LYS A 351 83.249 -0.215 14.075 1.00 0.00 C ATOM 329 CG LYS A 351 83.697 0.916 13.165 1.00 0.00 C ATOM 330 CD LYS A 351 84.563 0.401 12.034 1.00 0.00 C ATOM 331 CE LYS A 351 85.977 0.101 12.504 1.00 0.00 C ATOM 332 NZ LYS A 351 86.760 1.345 12.739 1.00 0.00 N ATOM 0 H LYS A 351 81.121 -0.393 11.994 1.00 0.00 H new ATOM 0 HA LYS A 351 81.526 -1.291 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 351 83.497 0.042 15.105 1.00 0.00 H new ATOM 0 HB3 LYS A 351 83.815 -1.113 13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 351 82.824 1.424 12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 351 84.252 1.654 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 351 84.118 -0.502 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 351 84.594 1.140 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 351 85.938 -0.482 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 351 86.485 -0.512 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 87.765 1.105 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 86.651 1.983 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 86.412 1.817 13.598 1.00 0.00 H new ATOM 346 N SER A 352 80.226 0.667 15.420 1.00 0.00 N ATOM 347 CA SER A 352 79.368 1.764 15.895 1.00 0.00 C ATOM 348 C SER A 352 79.193 2.888 14.868 1.00 0.00 C ATOM 349 O SER A 352 79.988 3.827 14.825 1.00 0.00 O ATOM 350 CB SER A 352 79.936 2.343 17.192 1.00 0.00 C ATOM 351 OG SER A 352 81.241 2.859 16.991 1.00 0.00 O ATOM 0 H SER A 352 80.227 -0.144 16.039 1.00 0.00 H new ATOM 0 HA SER A 352 78.381 1.334 16.065 1.00 0.00 H new ATOM 0 HB2 SER A 352 79.281 3.134 17.559 1.00 0.00 H new ATOM 0 HB3 SER A 352 79.962 1.569 17.959 1.00 0.00 H new ATOM 0 HG SER A 352 81.263 3.379 16.160 1.00 0.00 H new ATOM 357 N MET A 353 78.144 2.792 14.053 1.00 0.00 N ATOM 358 CA MET A 353 77.865 3.809 13.043 1.00 0.00 C ATOM 359 C MET A 353 76.528 3.537 12.360 1.00 0.00 C ATOM 360 O MET A 353 75.925 2.482 12.559 1.00 0.00 O ATOM 361 CB MET A 353 79.002 3.862 12.005 1.00 0.00 C ATOM 362 CG MET A 353 78.814 2.950 10.795 1.00 0.00 C ATOM 363 SD MET A 353 79.799 1.447 10.895 1.00 0.00 S ATOM 364 CE MET A 353 78.788 0.455 11.990 1.00 0.00 C ATOM 0 H MET A 353 77.475 2.022 14.073 1.00 0.00 H new ATOM 0 HA MET A 353 77.804 4.778 13.539 1.00 0.00 H new ATOM 0 HB2 MET A 353 79.106 4.889 11.654 1.00 0.00 H new ATOM 0 HB3 MET A 353 79.937 3.597 12.499 1.00 0.00 H new ATOM 0 HG2 MET A 353 77.761 2.684 10.707 1.00 0.00 H new ATOM 0 HG3 MET A 353 79.082 3.495 9.890 1.00 0.00 H new ATOM 0 HE1 MET A 353 79.015 -0.600 11.839 1.00 0.00 H new ATOM 0 HE2 MET A 353 78.998 0.727 13.025 1.00 0.00 H new ATOM 0 HE3 MET A 353 77.735 0.634 11.774 1.00 0.00 H new ATOM 374 N ILE A 354 76.112 4.451 11.490 1.00 0.00 N ATOM 375 CA ILE A 354 74.925 4.264 10.722 1.00 0.00 C ATOM 376 C ILE A 354 75.194 4.760 9.337 1.00 0.00 C ATOM 377 O ILE A 354 74.981 5.919 8.980 1.00 0.00 O ATOM 378 CB ILE A 354 73.732 5.016 11.298 1.00 0.00 C ATOM 379 CG1 ILE A 354 73.342 4.413 12.642 1.00 0.00 C ATOM 380 CG2 ILE A 354 72.554 4.997 10.327 1.00 0.00 C ATOM 381 CD1 ILE A 354 73.927 5.146 13.830 1.00 0.00 C ATOM 0 H ILE A 354 76.597 5.330 11.311 1.00 0.00 H new ATOM 0 HA ILE A 354 74.671 3.204 10.732 1.00 0.00 H new ATOM 0 HB ILE A 354 74.014 6.058 11.451 1.00 0.00 H new ATOM 0 HG12 ILE A 354 72.255 4.410 12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 354 73.667 3.373 12.672 1.00 0.00 H new ATOM 0 HG21 ILE A 354 71.715 5.540 10.762 1.00 0.00 H new ATOM 0 HG22 ILE A 354 72.847 5.471 9.390 1.00 0.00 H new ATOM 0 HG23 ILE A 354 72.258 3.966 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 354 73.606 4.660 14.751 1.00 0.00 H new ATOM 0 HD12 ILE A 354 75.015 5.127 13.769 1.00 0.00 H new ATOM 0 HD13 ILE A 354 73.581 6.180 13.826 1.00 0.00 H new ATOM 393 N PHE A 355 75.632 3.828 8.593 1.00 0.00 N ATOM 394 CA PHE A 355 75.949 4.003 7.188 1.00 0.00 C ATOM 395 C PHE A 355 75.527 2.776 6.395 1.00 0.00 C ATOM 396 O PHE A 355 75.969 1.664 6.687 1.00 0.00 O ATOM 397 CB PHE A 355 77.444 4.266 7.006 1.00 0.00 C ATOM 398 CG PHE A 355 77.854 5.662 7.379 1.00 0.00 C ATOM 399 CD1 PHE A 355 78.199 5.972 8.685 1.00 0.00 C ATOM 400 CD2 PHE A 355 77.894 6.665 6.424 1.00 0.00 C ATOM 401 CE1 PHE A 355 78.576 7.255 9.031 1.00 0.00 C ATOM 402 CE2 PHE A 355 78.271 7.950 6.764 1.00 0.00 C ATOM 403 CZ PHE A 355 78.612 8.246 8.069 1.00 0.00 C ATOM 0 H PHE A 355 75.795 2.879 8.931 1.00 0.00 H new ATOM 0 HA PHE A 355 75.399 4.866 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 355 78.007 3.556 7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 355 77.714 4.082 5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 355 78.173 5.201 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 355 77.627 6.440 5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 355 78.842 7.483 10.052 1.00 0.00 H new ATOM 0 HE2 PHE A 355 78.299 8.722 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 355 78.906 9.250 8.337 1.00 0.00 H new ATOM 413 N GLY A 356 74.691 2.969 5.386 1.00 0.00 N ATOM 414 CA GLY A 356 74.265 1.845 4.580 1.00 0.00 C ATOM 415 C GLY A 356 73.961 2.235 3.164 1.00 0.00 C ATOM 416 O GLY A 356 72.985 2.926 2.889 1.00 0.00 O ATOM 0 H GLY A 356 74.304 3.872 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 356 75.045 1.083 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 356 73.378 1.396 5.028 1.00 0.00 H new ATOM 420 N VAL A 357 74.796 1.771 2.269 1.00 0.00 N ATOM 421 CA VAL A 357 74.630 2.051 0.853 1.00 0.00 C ATOM 422 C VAL A 357 74.461 0.764 0.067 1.00 0.00 C ATOM 423 O VAL A 357 75.077 -0.253 0.381 1.00 0.00 O ATOM 424 CB VAL A 357 75.817 2.855 0.276 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.986 4.170 1.023 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.102 2.039 0.320 1.00 0.00 C ATOM 0 H VAL A 357 75.606 1.192 2.492 1.00 0.00 H new ATOM 0 HA VAL A 357 73.730 2.659 0.756 1.00 0.00 H new ATOM 0 HB VAL A 357 75.599 3.079 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 357 76.827 4.722 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 357 75.077 4.763 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 357 76.176 3.968 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 357 77.921 2.628 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.329 1.773 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.976 1.131 -0.269 1.00 0.00 H new ATOM 436 N LYS A 358 73.619 0.811 -0.954 1.00 0.00 N ATOM 437 CA LYS A 358 73.375 -0.361 -1.777 1.00 0.00 C ATOM 438 C LYS A 358 73.745 -0.095 -3.231 1.00 0.00 C ATOM 439 O LYS A 358 73.373 0.928 -3.807 1.00 0.00 O ATOM 440 CB LYS A 358 71.911 -0.807 -1.661 1.00 0.00 C ATOM 441 CG LYS A 358 70.958 -0.064 -2.585 1.00 0.00 C ATOM 442 CD LYS A 358 69.700 0.378 -1.855 1.00 0.00 C ATOM 443 CE LYS A 358 68.513 0.478 -2.799 1.00 0.00 C ATOM 444 NZ LYS A 358 67.901 -0.854 -3.064 1.00 0.00 N ATOM 0 H LYS A 358 73.097 1.643 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 358 74.010 -1.168 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 358 71.850 -1.874 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 358 71.582 -0.670 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 358 71.462 0.808 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 358 70.686 -0.707 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 358 69.473 -0.330 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 358 69.873 1.345 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 358 67.763 1.143 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 358 68.834 0.924 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 67.095 -0.743 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 68.609 -1.481 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 67.571 -1.269 -2.169 1.00 0.00 H new ATOM 458 N CYS A 359 74.476 -1.029 -3.817 1.00 0.00 N ATOM 459 CA CYS A 359 74.892 -0.912 -5.207 1.00 0.00 C ATOM 460 C CYS A 359 74.095 -1.879 -6.062 1.00 0.00 C ATOM 461 O CYS A 359 73.933 -3.045 -5.701 1.00 0.00 O ATOM 462 CB CYS A 359 76.395 -1.184 -5.358 1.00 0.00 C ATOM 463 SG CYS A 359 76.866 -2.946 -5.279 1.00 0.00 S ATOM 0 H CYS A 359 74.795 -1.879 -3.351 1.00 0.00 H new ATOM 0 HA CYS A 359 74.700 0.108 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 359 76.730 -0.775 -6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 359 76.928 -0.644 -4.575 1.00 0.00 H new ATOM 468 N LYS A 360 73.604 -1.403 -7.195 1.00 0.00 N ATOM 469 CA LYS A 360 72.850 -2.213 -8.077 1.00 0.00 C ATOM 470 C LYS A 360 73.775 -3.087 -8.889 1.00 0.00 C ATOM 471 O LYS A 360 74.970 -3.190 -8.615 1.00 0.00 O ATOM 472 CB LYS A 360 72.005 -1.313 -8.975 1.00 0.00 C ATOM 473 CG LYS A 360 70.523 -1.283 -8.618 1.00 0.00 C ATOM 474 CD LYS A 360 70.292 -1.313 -7.112 1.00 0.00 C ATOM 475 CE LYS A 360 69.470 -0.124 -6.644 1.00 0.00 C ATOM 476 NZ LYS A 360 68.299 0.126 -7.530 1.00 0.00 N ATOM 0 H LYS A 360 73.729 -0.441 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 360 72.186 -2.867 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 360 72.399 -0.298 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 360 72.111 -1.647 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 360 70.069 -0.384 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 360 70.023 -2.136 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 360 69.782 -2.237 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 360 71.253 -1.316 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 360 69.123 -0.301 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 360 70.100 0.765 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 67.539 0.576 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 68.581 0.753 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 67.958 -0.777 -7.918 1.00 0.00 H new ATOM 490 N HIS A 361 73.199 -3.715 -9.874 1.00 0.00 N ATOM 491 CA HIS A 361 73.927 -4.619 -10.763 1.00 0.00 C ATOM 492 C HIS A 361 74.369 -5.885 -10.022 1.00 0.00 C ATOM 493 O HIS A 361 74.401 -6.972 -10.599 1.00 0.00 O ATOM 494 CB HIS A 361 75.146 -3.914 -11.363 1.00 0.00 C ATOM 495 CG HIS A 361 74.843 -2.550 -11.902 1.00 0.00 C ATOM 496 ND1 HIS A 361 74.870 -1.410 -11.126 1.00 0.00 N ATOM 497 CD2 HIS A 361 74.506 -2.145 -13.149 1.00 0.00 C ATOM 498 CE1 HIS A 361 74.561 -0.364 -11.872 1.00 0.00 C ATOM 499 NE2 HIS A 361 74.337 -0.783 -13.103 1.00 0.00 N ATOM 0 H HIS A 361 72.208 -3.624 -10.096 1.00 0.00 H new ATOM 0 HA HIS A 361 73.252 -4.910 -11.568 1.00 0.00 H new ATOM 0 HB2 HIS A 361 75.920 -3.831 -10.600 1.00 0.00 H new ATOM 0 HB3 HIS A 361 75.554 -4.530 -12.164 1.00 0.00 H new ATOM 0 HD2 HIS A 361 74.391 -2.776 -14.018 1.00 0.00 H new ATOM 0 HE1 HIS A 361 74.502 0.659 -11.532 1.00 0.00 H new ATOM 0 HE2 HIS A 361 74.080 -0.191 -13.893 1.00 0.00 H new ATOM 508 N CYS A 362 74.717 -5.735 -8.744 1.00 0.00 N ATOM 509 CA CYS A 362 75.167 -6.858 -7.925 1.00 0.00 C ATOM 510 C CYS A 362 74.371 -6.945 -6.622 1.00 0.00 C ATOM 511 O CYS A 362 74.137 -8.035 -6.101 1.00 0.00 O ATOM 512 CB CYS A 362 76.662 -6.726 -7.603 1.00 0.00 C ATOM 513 SG CYS A 362 77.540 -5.448 -8.565 1.00 0.00 S ATOM 0 H CYS A 362 74.695 -4.842 -8.252 1.00 0.00 H new ATOM 0 HA CYS A 362 75.001 -7.770 -8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 362 76.773 -6.503 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 362 77.144 -7.688 -7.778 1.00 0.00 H new ATOM 518 N ARG A 363 73.968 -5.788 -6.097 1.00 0.00 N ATOM 519 CA ARG A 363 73.207 -5.724 -4.850 1.00 0.00 C ATOM 520 C ARG A 363 74.097 -6.044 -3.651 1.00 0.00 C ATOM 521 O ARG A 363 74.102 -7.169 -3.151 1.00 0.00 O ATOM 522 CB ARG A 363 72.011 -6.683 -4.890 1.00 0.00 C ATOM 523 CG ARG A 363 70.671 -5.975 -4.985 1.00 0.00 C ATOM 524 CD ARG A 363 70.573 -5.146 -6.255 1.00 0.00 C ATOM 525 NE ARG A 363 70.645 -5.976 -7.456 1.00 0.00 N ATOM 526 CZ ARG A 363 70.172 -5.607 -8.645 1.00 0.00 C ATOM 527 NH1 ARG A 363 69.594 -4.422 -8.800 1.00 0.00 N ATOM 528 NH2 ARG A 363 70.278 -6.425 -9.682 1.00 0.00 N ATOM 0 H ARG A 363 74.157 -4.879 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 363 72.832 -4.706 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 363 72.121 -7.353 -5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 363 72.023 -7.304 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 363 69.867 -6.710 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 363 70.535 -5.331 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 363 69.635 -4.590 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 363 71.379 -4.412 -6.272 1.00 0.00 H new ATOM 0 HE ARG A 363 71.084 -6.893 -7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 363 69.510 -3.788 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 363 69.234 -4.146 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 363 70.722 -7.337 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 363 69.916 -6.143 -10.593 1.00 0.00 H new ATOM 542 N LEU A 364 74.847 -5.044 -3.194 1.00 0.00 N ATOM 543 CA LEU A 364 75.744 -5.215 -2.051 1.00 0.00 C ATOM 544 C LEU A 364 75.516 -4.114 -1.017 1.00 0.00 C ATOM 545 O LEU A 364 74.799 -3.151 -1.278 1.00 0.00 O ATOM 546 CB LEU A 364 77.202 -5.201 -2.516 1.00 0.00 C ATOM 547 CG LEU A 364 78.125 -6.183 -1.792 1.00 0.00 C ATOM 548 CD1 LEU A 364 77.678 -7.617 -2.035 1.00 0.00 C ATOM 549 CD2 LEU A 364 79.565 -5.989 -2.242 1.00 0.00 C ATOM 0 H LEU A 364 74.852 -4.107 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 364 75.528 -6.177 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 364 77.229 -5.421 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 364 77.598 -4.193 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 364 78.068 -5.984 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 364 78.347 -8.300 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 364 76.662 -7.749 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 364 77.705 -7.830 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 364 80.208 -6.695 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 364 79.637 -6.161 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 364 79.883 -4.971 -2.016 1.00 0.00 H new ATOM 561 N LYS A 365 76.131 -4.258 0.156 1.00 0.00 N ATOM 562 CA LYS A 365 75.989 -3.267 1.214 1.00 0.00 C ATOM 563 C LYS A 365 77.353 -2.880 1.774 1.00 0.00 C ATOM 564 O LYS A 365 78.187 -3.741 2.054 1.00 0.00 O ATOM 565 CB LYS A 365 75.096 -3.807 2.333 1.00 0.00 C ATOM 566 CG LYS A 365 74.809 -2.790 3.425 1.00 0.00 C ATOM 567 CD LYS A 365 73.496 -3.087 4.132 1.00 0.00 C ATOM 568 CE LYS A 365 72.769 -1.809 4.517 1.00 0.00 C ATOM 569 NZ LYS A 365 71.325 -2.052 4.790 1.00 0.00 N ATOM 0 H LYS A 365 76.729 -5.049 0.394 1.00 0.00 H new ATOM 0 HA LYS A 365 75.523 -2.378 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 365 74.152 -4.143 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 365 75.573 -4.681 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 365 75.623 -2.794 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 365 74.772 -1.790 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 365 72.859 -3.687 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 365 73.689 -3.680 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 365 73.238 -1.377 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 365 72.869 -1.079 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 70.841 -1.143 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 70.898 -2.549 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 71.227 -2.634 5.646 1.00 0.00 H new ATOM 583 N CYS A 366 77.576 -1.580 1.926 1.00 0.00 N ATOM 584 CA CYS A 366 78.841 -1.076 2.448 1.00 0.00 C ATOM 585 C CYS A 366 78.672 0.326 3.026 1.00 0.00 C ATOM 586 O CYS A 366 77.704 1.018 2.717 1.00 0.00 O ATOM 587 CB CYS A 366 79.910 -1.070 1.351 1.00 0.00 C ATOM 588 SG CYS A 366 79.659 0.179 0.068 1.00 0.00 S ATOM 0 H CYS A 366 76.897 -0.855 1.695 1.00 0.00 H new ATOM 0 HA CYS A 366 79.164 -1.741 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 366 80.885 -0.909 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 366 79.938 -2.054 0.882 1.00 0.00 H new ATOM 0 HG CYS A 366 79.230 -0.394 -1.017 1.00 0.00 H new ATOM 594 N HIS A 367 79.621 0.739 3.862 1.00 0.00 N ATOM 595 CA HIS A 367 79.591 2.068 4.477 1.00 0.00 C ATOM 596 C HIS A 367 79.154 3.124 3.465 1.00 0.00 C ATOM 597 O HIS A 367 78.093 3.734 3.594 1.00 0.00 O ATOM 598 CB HIS A 367 80.985 2.420 5.002 1.00 0.00 C ATOM 599 CG HIS A 367 81.016 2.813 6.443 1.00 0.00 C ATOM 600 ND1 HIS A 367 81.645 2.031 7.378 1.00 0.00 N ATOM 601 CD2 HIS A 367 80.508 3.911 7.050 1.00 0.00 C ATOM 602 CE1 HIS A 367 81.509 2.665 8.529 1.00 0.00 C ATOM 603 NE2 HIS A 367 80.826 3.810 8.380 1.00 0.00 N ATOM 0 H HIS A 367 80.425 0.171 4.131 1.00 0.00 H new ATOM 0 HA HIS A 367 78.875 2.052 5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 367 81.643 1.563 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 367 81.390 3.237 4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 367 79.958 4.712 6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 367 81.898 2.307 9.471 1.00 0.00 H new ATOM 0 HE2 HIS A 367 80.589 4.477 9.114 1.00 0.00 H new ATOM 611 N ASN A 368 79.995 3.321 2.457 1.00 0.00 N ATOM 612 CA ASN A 368 79.745 4.288 1.394 1.00 0.00 C ATOM 613 C ASN A 368 80.980 4.393 0.509 1.00 0.00 C ATOM 614 O ASN A 368 80.896 4.298 -0.715 1.00 0.00 O ATOM 615 CB ASN A 368 79.390 5.661 1.976 1.00 0.00 C ATOM 616 CG ASN A 368 80.403 6.141 2.997 1.00 0.00 C ATOM 617 OD1 ASN A 368 81.016 5.342 3.705 1.00 0.00 O ATOM 618 ND2 ASN A 368 80.582 7.455 3.079 1.00 0.00 N ATOM 0 H ASN A 368 80.873 2.813 2.353 1.00 0.00 H new ATOM 0 HA ASN A 368 78.898 3.948 0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 368 79.323 6.388 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 368 78.406 5.611 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 368 81.249 7.838 3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 368 80.052 8.081 2.472 1.00 0.00 H new ATOM 625 N LYS A 369 82.130 4.565 1.153 1.00 0.00 N ATOM 626 CA LYS A 369 83.410 4.660 0.458 1.00 0.00 C ATOM 627 C LYS A 369 84.383 3.636 1.029 1.00 0.00 C ATOM 628 O LYS A 369 85.596 3.733 0.842 1.00 0.00 O ATOM 629 CB LYS A 369 83.990 6.069 0.593 1.00 0.00 C ATOM 630 CG LYS A 369 82.931 7.138 0.793 1.00 0.00 C ATOM 631 CD LYS A 369 81.861 7.065 -0.285 1.00 0.00 C ATOM 632 CE LYS A 369 81.905 8.276 -1.204 1.00 0.00 C ATOM 633 NZ LYS A 369 80.984 8.128 -2.364 1.00 0.00 N ATOM 0 H LYS A 369 82.202 4.642 2.168 1.00 0.00 H new ATOM 0 HA LYS A 369 83.251 4.453 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 369 84.682 6.090 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 369 84.569 6.303 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 369 82.471 7.018 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 369 83.398 8.123 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 369 81.998 6.157 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 369 80.878 6.998 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 369 81.637 9.169 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 369 82.923 8.420 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 81.044 8.974 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 81.255 7.290 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 80.009 8.016 -2.021 1.00 0.00 H new ATOM 647 N CYS A 370 83.826 2.656 1.730 1.00 0.00 N ATOM 648 CA CYS A 370 84.614 1.592 2.350 1.00 0.00 C ATOM 649 C CYS A 370 84.933 0.476 1.352 1.00 0.00 C ATOM 650 O CYS A 370 85.336 -0.618 1.747 1.00 0.00 O ATOM 651 CB CYS A 370 83.861 1.006 3.549 1.00 0.00 C ATOM 652 SG CYS A 370 84.276 1.775 5.151 1.00 0.00 S ATOM 0 H CYS A 370 82.821 2.574 1.886 1.00 0.00 H new ATOM 0 HA CYS A 370 85.554 2.031 2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 370 82.790 1.111 3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 370 84.071 -0.062 3.607 1.00 0.00 H new ATOM 657 N THR A 371 84.750 0.751 0.061 1.00 0.00 N ATOM 658 CA THR A 371 85.019 -0.239 -0.976 1.00 0.00 C ATOM 659 C THR A 371 86.457 -0.743 -0.892 1.00 0.00 C ATOM 660 O THR A 371 86.742 -1.894 -1.222 1.00 0.00 O ATOM 661 CB THR A 371 84.755 0.357 -2.361 1.00 0.00 C ATOM 662 OG1 THR A 371 83.934 1.508 -2.264 1.00 0.00 O ATOM 663 CG2 THR A 371 84.080 -0.609 -3.309 1.00 0.00 C ATOM 0 H THR A 371 84.417 1.649 -0.289 1.00 0.00 H new ATOM 0 HA THR A 371 84.349 -1.084 -0.817 1.00 0.00 H new ATOM 0 HB THR A 371 85.738 0.606 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 371 83.778 1.875 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 371 83.922 -0.123 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 371 84.712 -1.487 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 371 83.119 -0.914 -2.895 1.00 0.00 H new ATOM 671 N LYS A 372 87.359 0.126 -0.446 1.00 0.00 N ATOM 672 CA LYS A 372 88.766 -0.233 -0.318 1.00 0.00 C ATOM 673 C LYS A 372 88.951 -1.347 0.707 1.00 0.00 C ATOM 674 O LYS A 372 89.876 -2.153 0.603 1.00 0.00 O ATOM 675 CB LYS A 372 89.592 0.990 0.086 1.00 0.00 C ATOM 676 CG LYS A 372 89.104 1.659 1.360 1.00 0.00 C ATOM 677 CD LYS A 372 90.260 2.219 2.173 1.00 0.00 C ATOM 678 CE LYS A 372 90.998 3.310 1.414 1.00 0.00 C ATOM 679 NZ LYS A 372 92.121 3.878 2.209 1.00 0.00 N ATOM 0 H LYS A 372 87.140 1.083 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 372 89.113 -0.593 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 372 90.631 0.689 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 372 89.572 1.716 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 372 88.412 2.463 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 372 88.550 0.938 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 372 89.884 2.620 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 372 90.953 1.416 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 372 91.384 2.904 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 372 90.300 4.105 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 92.598 4.618 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 91.750 4.289 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 92.800 3.125 2.438 1.00 0.00 H new ATOM 693 N GLU A 373 88.064 -1.388 1.697 1.00 0.00 N ATOM 694 CA GLU A 373 88.129 -2.406 2.739 1.00 0.00 C ATOM 695 C GLU A 373 87.312 -3.634 2.350 1.00 0.00 C ATOM 696 O GLU A 373 87.736 -4.769 2.568 1.00 0.00 O ATOM 697 CB GLU A 373 87.620 -1.839 4.066 1.00 0.00 C ATOM 698 CG GLU A 373 88.590 -0.875 4.728 1.00 0.00 C ATOM 699 CD GLU A 373 89.949 -1.499 4.982 1.00 0.00 C ATOM 700 OE1 GLU A 373 89.994 -2.639 5.488 1.00 0.00 O ATOM 701 OE2 GLU A 373 90.969 -0.846 4.674 1.00 0.00 O ATOM 0 H GLU A 373 87.293 -0.728 1.799 1.00 0.00 H new ATOM 0 HA GLU A 373 89.170 -2.707 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 373 86.673 -1.327 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 373 87.417 -2.663 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 373 88.711 0.005 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 373 88.169 -0.533 5.673 1.00 0.00 H new ATOM 708 N ALA A 374 86.139 -3.398 1.771 1.00 0.00 N ATOM 709 CA ALA A 374 85.262 -4.483 1.349 1.00 0.00 C ATOM 710 C ALA A 374 85.754 -5.109 0.047 1.00 0.00 C ATOM 711 O ALA A 374 86.636 -4.565 -0.617 1.00 0.00 O ATOM 712 CB ALA A 374 83.836 -3.976 1.190 1.00 0.00 C ATOM 0 H ALA A 374 85.774 -2.464 1.583 1.00 0.00 H new ATOM 0 HA ALA A 374 85.277 -5.253 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 374 83.191 -4.796 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 374 83.482 -3.582 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 374 83.812 -3.186 0.439 1.00 0.00 H new ATOM 718 N PRO A 375 85.187 -6.265 -0.339 1.00 0.00 N ATOM 719 CA PRO A 375 85.575 -6.959 -1.571 1.00 0.00 C ATOM 720 C PRO A 375 85.109 -6.220 -2.820 1.00 0.00 C ATOM 721 O PRO A 375 84.054 -5.586 -2.820 1.00 0.00 O ATOM 722 CB PRO A 375 84.872 -8.312 -1.454 1.00 0.00 C ATOM 723 CG PRO A 375 83.696 -8.053 -0.577 1.00 0.00 C ATOM 724 CD PRO A 375 84.125 -6.985 0.391 1.00 0.00 C ATOM 0 HA PRO A 375 86.657 -7.036 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 375 84.563 -8.683 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 375 85.531 -9.064 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 375 82.837 -7.726 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 375 83.396 -8.959 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 375 83.298 -6.324 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 375 84.497 -7.413 1.322 1.00 0.00 H new ATOM 732 N ALA A 376 85.902 -6.306 -3.883 1.00 0.00 N ATOM 733 CA ALA A 376 85.570 -5.644 -5.140 1.00 0.00 C ATOM 734 C ALA A 376 84.202 -6.085 -5.650 1.00 0.00 C ATOM 735 O ALA A 376 84.002 -7.251 -5.990 1.00 0.00 O ATOM 736 CB ALA A 376 86.640 -5.927 -6.183 1.00 0.00 C ATOM 0 H ALA A 376 86.779 -6.827 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 376 85.531 -4.570 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 376 86.380 -5.427 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 376 87.601 -5.556 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 376 86.707 -7.002 -6.353 1.00 0.00 H new ATOM 742 N CYS A 377 83.263 -5.145 -5.700 1.00 0.00 N ATOM 743 CA CYS A 377 81.913 -5.436 -6.169 1.00 0.00 C ATOM 744 C CYS A 377 81.940 -6.003 -7.586 1.00 0.00 C ATOM 745 O CYS A 377 82.394 -5.343 -8.521 1.00 0.00 O ATOM 746 CB CYS A 377 81.052 -4.172 -6.127 1.00 0.00 C ATOM 747 SG CYS A 377 79.316 -4.470 -5.659 1.00 0.00 S ATOM 0 H CYS A 377 83.412 -4.175 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 377 81.478 -6.184 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 377 81.492 -3.469 -5.420 1.00 0.00 H new ATOM 0 HB3 CYS A 377 81.076 -3.696 -7.107 1.00 0.00 H new ATOM 752 N ARG A 378 81.452 -7.230 -7.736 1.00 0.00 N ATOM 753 CA ARG A 378 81.421 -7.887 -9.038 1.00 0.00 C ATOM 754 C ARG A 378 82.828 -8.031 -9.608 1.00 0.00 C ATOM 755 O ARG A 378 83.297 -7.082 -10.272 1.00 0.00 O ATOM 756 CB ARG A 378 80.543 -7.098 -10.011 1.00 0.00 C ATOM 757 CG ARG A 378 80.221 -7.854 -11.289 1.00 0.00 C ATOM 758 CD ARG A 378 79.436 -6.990 -12.264 1.00 0.00 C ATOM 759 NE ARG A 378 80.301 -6.075 -13.004 1.00 0.00 N ATOM 760 CZ ARG A 378 81.136 -6.459 -13.967 1.00 0.00 C ATOM 761 NH1 ARG A 378 81.221 -7.739 -14.310 1.00 0.00 N ATOM 762 NH2 ARG A 378 81.887 -5.562 -14.590 1.00 0.00 N ATOM 763 OXT ARG A 378 83.450 -9.091 -9.387 1.00 0.00 O ATOM 0 H ARG A 378 81.073 -7.790 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 378 80.998 -8.883 -8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 378 79.611 -6.831 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 378 81.046 -6.166 -10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 378 81.146 -8.187 -11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 378 79.646 -8.748 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 378 78.901 -7.630 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 378 78.686 -6.418 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 378 80.263 -5.083 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 378 80.645 -8.434 -13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 378 81.863 -8.028 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 378 81.825 -4.577 -14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 378 82.527 -5.856 -15.328 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 77.932 -3.558 -7.262 1.00 0.00 ZN HETATM 779 ZN ZN A 2 83.083 0.735 6.877 1.00 0.00 ZN