USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=19 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 371 THR OG1 : rot 180:sc= 0.42 USER MOD Set 1.2: A 372 LYS NZ :NH3+ -179:sc= 0.392 (180deg=0) USER MOD Set 2.1: A 352 SER OG : rot 44:sc= 0.606 USER MOD Set 2.2: A 353 MET CE :methyl 148:sc= -6.91 (180deg=-12!) USER MOD Single : A 331 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 347 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.39) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.931 F(o=-1.5,f=-0.93) USER MOD Single : A 351 LYS NZ :NH3+ -157:sc= -0.389 (180deg=-1.33!) USER MOD Single : A 358 LYS NZ :NH3+ -105:sc=-0.00379 (180deg=-0.221) USER MOD Single : A 360 LYS NZ :NH3+ 167:sc= -0.0133 (180deg=-0.169) USER MOD Single : A 361 HIS : no HE2:sc= -5.61! C(o=-5.6!,f=-6.4!) USER MOD Single : A 365 LYS NZ :NH3+ -144:sc= -1.28 (180deg=-3.88!) USER MOD Single : A 366 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 368 ASN : amide:sc= -0.796 K(o=-0.8,f=-7.8!) USER MOD Single : A 369 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 330 66.703 14.860 -9.384 1.00 0.00 N ATOM 2 CA GLY A 330 66.515 13.495 -8.819 1.00 0.00 C ATOM 3 C GLY A 330 67.101 12.415 -9.707 1.00 0.00 C ATOM 4 O GLY A 330 67.770 12.710 -10.697 1.00 0.00 O ATOM 0 HA2 GLY A 330 66.981 13.445 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 330 65.451 13.307 -8.677 1.00 0.00 H new ATOM 10 N SER A 331 66.851 11.159 -9.351 1.00 0.00 N ATOM 11 CA SER A 331 67.359 10.030 -10.122 1.00 0.00 C ATOM 12 C SER A 331 66.811 8.713 -9.583 1.00 0.00 C ATOM 13 O SER A 331 66.078 8.692 -8.594 1.00 0.00 O ATOM 14 CB SER A 331 68.888 10.011 -10.091 1.00 0.00 C ATOM 15 OG SER A 331 69.413 9.318 -11.210 1.00 0.00 O ATOM 0 H SER A 331 66.300 10.897 -8.534 1.00 0.00 H new ATOM 0 HA SER A 331 67.025 10.147 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 331 69.267 11.033 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 331 69.230 9.536 -9.172 1.00 0.00 H new ATOM 0 HG SER A 331 70.392 9.322 -11.167 1.00 0.00 H new ATOM 21 N VAL A 332 67.172 7.615 -10.239 1.00 0.00 N ATOM 22 CA VAL A 332 66.716 6.293 -9.826 1.00 0.00 C ATOM 23 C VAL A 332 67.177 5.972 -8.409 1.00 0.00 C ATOM 24 O VAL A 332 68.145 6.549 -7.914 1.00 0.00 O ATOM 25 CB VAL A 332 67.229 5.198 -10.780 1.00 0.00 C ATOM 26 CG1 VAL A 332 66.585 3.860 -10.454 1.00 0.00 C ATOM 27 CG2 VAL A 332 66.966 5.586 -12.228 1.00 0.00 C ATOM 0 H VAL A 332 67.779 7.615 -11.059 1.00 0.00 H new ATOM 0 HA VAL A 332 65.627 6.310 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 332 68.306 5.099 -10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 332 66.960 3.099 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 332 66.829 3.579 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 332 65.503 3.942 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 332 67.335 4.801 -12.888 1.00 0.00 H new ATOM 0 HG22 VAL A 332 65.895 5.715 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 332 67.480 6.520 -12.453 1.00 0.00 H new ATOM 37 N THR A 333 66.478 5.046 -7.760 1.00 0.00 N ATOM 38 CA THR A 333 66.815 4.648 -6.399 1.00 0.00 C ATOM 39 C THR A 333 67.470 3.271 -6.382 1.00 0.00 C ATOM 40 O THR A 333 66.854 2.274 -6.760 1.00 0.00 O ATOM 41 CB THR A 333 65.562 4.640 -5.522 1.00 0.00 C ATOM 42 OG1 THR A 333 64.592 5.540 -6.026 1.00 0.00 O ATOM 43 CG2 THR A 333 65.837 5.019 -4.082 1.00 0.00 C ATOM 0 H THR A 333 65.675 4.557 -8.155 1.00 0.00 H new ATOM 0 HA THR A 333 67.524 5.373 -6.000 1.00 0.00 H new ATOM 0 HB THR A 333 65.198 3.613 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 333 63.797 5.519 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 333 64.906 4.994 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 333 66.545 4.313 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 333 66.258 6.024 -4.044 1.00 0.00 H new ATOM 51 N HIS A 334 68.723 3.222 -5.941 1.00 0.00 N ATOM 52 CA HIS A 334 69.463 1.966 -5.874 1.00 0.00 C ATOM 53 C HIS A 334 69.375 1.367 -4.476 1.00 0.00 C ATOM 54 O HIS A 334 69.784 1.993 -3.497 1.00 0.00 O ATOM 55 CB HIS A 334 70.933 2.180 -6.256 1.00 0.00 C ATOM 56 CG HIS A 334 71.147 3.261 -7.273 1.00 0.00 C ATOM 57 ND1 HIS A 334 72.354 3.911 -7.388 1.00 0.00 N ATOM 58 CD2 HIS A 334 70.279 3.771 -8.182 1.00 0.00 C ATOM 59 CE1 HIS A 334 72.191 4.798 -8.357 1.00 0.00 C ATOM 60 NE2 HIS A 334 70.951 4.748 -8.866 1.00 0.00 N ATOM 0 H HIS A 334 69.248 4.038 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 334 69.014 1.273 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 334 71.500 2.423 -5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 334 71.337 1.245 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 334 69.255 3.465 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 334 72.960 5.477 -8.695 1.00 0.00 H new ATOM 0 HE2 HIS A 334 70.580 5.327 -9.619 1.00 0.00 H new ATOM 68 N ARG A 335 68.841 0.153 -4.383 1.00 0.00 N ATOM 69 CA ARG A 335 68.707 -0.517 -3.096 1.00 0.00 C ATOM 70 C ARG A 335 69.900 -1.429 -2.836 1.00 0.00 C ATOM 71 O ARG A 335 70.109 -2.415 -3.542 1.00 0.00 O ATOM 72 CB ARG A 335 67.411 -1.328 -3.049 1.00 0.00 C ATOM 73 CG ARG A 335 66.216 -0.606 -3.649 1.00 0.00 C ATOM 74 CD ARG A 335 64.925 -0.982 -2.942 1.00 0.00 C ATOM 75 NE ARG A 335 64.803 -0.329 -1.640 1.00 0.00 N ATOM 76 CZ ARG A 335 64.565 0.971 -1.482 1.00 0.00 C ATOM 77 NH1 ARG A 335 64.423 1.760 -2.540 1.00 0.00 N ATOM 78 NH2 ARG A 335 64.470 1.484 -0.263 1.00 0.00 N ATOM 0 H ARG A 335 68.496 -0.383 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 335 68.676 0.246 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 335 67.561 -2.267 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 335 67.188 -1.581 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 335 66.369 0.471 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 335 66.136 -0.850 -4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 335 64.076 -0.706 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 335 64.886 -2.063 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 335 64.906 -0.903 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 335 64.496 1.371 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 335 64.241 2.756 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 335 64.579 0.882 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 335 64.288 2.480 -0.142 1.00 0.00 H new ATOM 92 N PHE A 336 70.686 -1.080 -1.826 1.00 0.00 N ATOM 93 CA PHE A 336 71.856 -1.822 -1.462 1.00 0.00 C ATOM 94 C PHE A 336 71.482 -3.165 -0.834 1.00 0.00 C ATOM 95 O PHE A 336 70.384 -3.327 -0.302 1.00 0.00 O ATOM 96 CB PHE A 336 72.659 -0.991 -0.464 1.00 0.00 C ATOM 97 CG PHE A 336 72.238 0.452 -0.354 1.00 0.00 C ATOM 98 CD1 PHE A 336 72.629 1.376 -1.309 1.00 0.00 C ATOM 99 CD2 PHE A 336 71.452 0.879 0.704 1.00 0.00 C ATOM 100 CE1 PHE A 336 72.245 2.700 -1.210 1.00 0.00 C ATOM 101 CE2 PHE A 336 71.064 2.201 0.808 1.00 0.00 C ATOM 102 CZ PHE A 336 71.461 3.113 -0.150 1.00 0.00 C ATOM 0 H PHE A 336 70.516 -0.263 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 336 72.446 -2.025 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 336 72.578 -1.454 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 336 73.711 -1.027 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 336 73.241 1.058 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 336 71.139 0.170 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 336 72.557 3.411 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 336 70.451 2.521 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 336 71.159 4.147 -0.071 1.00 0.00 H new ATOM 112 N SER A 337 72.407 -4.119 -0.887 1.00 0.00 N ATOM 113 CA SER A 337 72.177 -5.442 -0.310 1.00 0.00 C ATOM 114 C SER A 337 73.263 -5.773 0.711 1.00 0.00 C ATOM 115 O SER A 337 74.451 -5.642 0.424 1.00 0.00 O ATOM 116 CB SER A 337 72.150 -6.506 -1.409 1.00 0.00 C ATOM 117 OG SER A 337 72.078 -7.809 -0.856 1.00 0.00 O ATOM 0 H SER A 337 73.322 -4.002 -1.323 1.00 0.00 H new ATOM 0 HA SER A 337 71.211 -5.434 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 337 71.294 -6.337 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 337 73.044 -6.418 -2.026 1.00 0.00 H new ATOM 0 HG SER A 337 72.060 -8.471 -1.579 1.00 0.00 H new ATOM 123 N THR A 338 72.852 -6.194 1.905 1.00 0.00 N ATOM 124 CA THR A 338 73.805 -6.526 2.962 1.00 0.00 C ATOM 125 C THR A 338 74.444 -7.891 2.738 1.00 0.00 C ATOM 126 O THR A 338 73.769 -8.865 2.402 1.00 0.00 O ATOM 127 CB THR A 338 73.130 -6.495 4.334 1.00 0.00 C ATOM 128 OG1 THR A 338 72.531 -5.234 4.570 1.00 0.00 O ATOM 129 CG2 THR A 338 74.090 -6.771 5.474 1.00 0.00 C ATOM 0 H THR A 338 71.873 -6.313 2.164 1.00 0.00 H new ATOM 0 HA THR A 338 74.590 -5.771 2.931 1.00 0.00 H new ATOM 0 HB THR A 338 72.381 -7.286 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 338 72.103 -5.235 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 338 73.551 -6.735 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 338 74.533 -7.759 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 338 74.878 -6.018 5.477 1.00 0.00 H new ATOM 137 N LYS A 339 75.755 -7.944 2.937 1.00 0.00 N ATOM 138 CA LYS A 339 76.518 -9.172 2.775 1.00 0.00 C ATOM 139 C LYS A 339 77.726 -9.169 3.707 1.00 0.00 C ATOM 140 O LYS A 339 78.299 -8.113 3.991 1.00 0.00 O ATOM 141 CB LYS A 339 76.976 -9.328 1.323 1.00 0.00 C ATOM 142 CG LYS A 339 75.988 -10.086 0.452 1.00 0.00 C ATOM 143 CD LYS A 339 76.686 -10.787 -0.702 1.00 0.00 C ATOM 144 CE LYS A 339 76.066 -12.146 -0.985 1.00 0.00 C ATOM 145 NZ LYS A 339 76.448 -12.663 -2.328 1.00 0.00 N ATOM 0 H LYS A 339 76.317 -7.139 3.214 1.00 0.00 H new ATOM 0 HA LYS A 339 75.876 -10.015 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 339 77.141 -8.339 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 339 77.934 -9.847 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 339 75.457 -10.820 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 339 75.241 -9.395 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 339 76.627 -10.166 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 339 77.744 -10.910 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 339 76.382 -12.855 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 339 74.981 -12.070 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 76.005 -13.591 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 76.124 -11.999 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 77.482 -12.760 -2.381 1.00 0.00 H new ATOM 159 N SER A 340 78.106 -10.350 4.182 1.00 0.00 N ATOM 160 CA SER A 340 79.244 -10.480 5.083 1.00 0.00 C ATOM 161 C SER A 340 80.013 -11.769 4.807 1.00 0.00 C ATOM 162 O SER A 340 80.633 -12.338 5.705 1.00 0.00 O ATOM 163 CB SER A 340 78.774 -10.456 6.538 1.00 0.00 C ATOM 164 OG SER A 340 77.729 -11.390 6.753 1.00 0.00 O ATOM 0 H SER A 340 77.642 -11.231 3.958 1.00 0.00 H new ATOM 0 HA SER A 340 79.911 -9.636 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 340 79.611 -10.684 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 340 78.429 -9.454 6.795 1.00 0.00 H new ATOM 0 HG SER A 340 77.448 -11.356 7.691 1.00 0.00 H new ATOM 170 N TRP A 341 79.967 -12.225 3.559 1.00 0.00 N ATOM 171 CA TRP A 341 80.658 -13.447 3.165 1.00 0.00 C ATOM 172 C TRP A 341 82.063 -13.138 2.659 1.00 0.00 C ATOM 173 O TRP A 341 83.000 -13.903 2.891 1.00 0.00 O ATOM 174 CB TRP A 341 79.864 -14.182 2.084 1.00 0.00 C ATOM 175 CG TRP A 341 78.732 -14.998 2.629 1.00 0.00 C ATOM 176 CD1 TRP A 341 77.520 -14.537 3.054 1.00 0.00 C ATOM 177 CD2 TRP A 341 78.708 -16.419 2.810 1.00 0.00 C ATOM 178 NE1 TRP A 341 76.742 -15.584 3.487 1.00 0.00 N ATOM 179 CE2 TRP A 341 77.450 -16.749 3.347 1.00 0.00 C ATOM 180 CE3 TRP A 341 79.628 -17.443 2.568 1.00 0.00 C ATOM 181 CZ2 TRP A 341 77.089 -18.061 3.647 1.00 0.00 C ATOM 182 CZ3 TRP A 341 79.268 -18.745 2.866 1.00 0.00 C ATOM 183 CH2 TRP A 341 78.008 -19.043 3.400 1.00 0.00 C ATOM 0 H TRP A 341 79.458 -11.766 2.803 1.00 0.00 H new ATOM 0 HA TRP A 341 80.740 -14.087 4.043 1.00 0.00 H new ATOM 0 HB2 TRP A 341 79.469 -13.454 1.375 1.00 0.00 H new ATOM 0 HB3 TRP A 341 80.538 -14.834 1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 341 77.216 -13.501 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 341 75.793 -15.507 3.853 1.00 0.00 H new ATOM 0 HE3 TRP A 341 80.602 -17.222 2.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 341 76.118 -18.294 4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 341 79.970 -19.545 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 341 77.757 -20.070 3.621 1.00 0.00 H new ATOM 194 N LEU A 342 82.203 -12.012 1.967 1.00 0.00 N ATOM 195 CA LEU A 342 83.494 -11.600 1.428 1.00 0.00 C ATOM 196 C LEU A 342 84.526 -11.447 2.541 1.00 0.00 C ATOM 197 O LEU A 342 85.722 -11.637 2.322 1.00 0.00 O ATOM 198 CB LEU A 342 83.354 -10.284 0.662 1.00 0.00 C ATOM 199 CG LEU A 342 82.739 -10.408 -0.733 1.00 0.00 C ATOM 200 CD1 LEU A 342 83.610 -11.280 -1.624 1.00 0.00 C ATOM 201 CD2 LEU A 342 81.330 -10.974 -0.644 1.00 0.00 C ATOM 0 H LEU A 342 81.438 -11.368 1.766 1.00 0.00 H new ATOM 0 HA LEU A 342 83.837 -12.376 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 342 82.743 -9.601 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 342 84.340 -9.829 0.568 1.00 0.00 H new ATOM 0 HG LEU A 342 82.683 -9.413 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 342 83.157 -11.357 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 342 84.601 -10.834 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 342 83.697 -12.274 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 342 80.907 -11.056 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 342 81.363 -11.961 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 342 80.709 -10.312 -0.041 1.00 0.00 H new ATOM 213 N SER A 343 84.054 -11.103 3.735 1.00 0.00 N ATOM 214 CA SER A 343 84.937 -10.924 4.882 1.00 0.00 C ATOM 215 C SER A 343 85.952 -9.816 4.619 1.00 0.00 C ATOM 216 O SER A 343 87.160 -10.055 4.605 1.00 0.00 O ATOM 217 CB SER A 343 85.661 -12.233 5.204 1.00 0.00 C ATOM 218 OG SER A 343 84.933 -13.000 6.148 1.00 0.00 O ATOM 0 H SER A 343 83.066 -10.943 3.933 1.00 0.00 H new ATOM 0 HA SER A 343 84.327 -10.636 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 343 85.798 -12.811 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 343 86.655 -12.016 5.596 1.00 0.00 H new ATOM 0 HG SER A 343 85.416 -13.832 6.336 1.00 0.00 H new ATOM 224 N GLN A 344 85.453 -8.602 4.408 1.00 0.00 N ATOM 225 CA GLN A 344 86.316 -7.457 4.144 1.00 0.00 C ATOM 226 C GLN A 344 85.980 -6.293 5.072 1.00 0.00 C ATOM 227 O GLN A 344 85.138 -6.417 5.961 1.00 0.00 O ATOM 228 CB GLN A 344 86.180 -7.017 2.684 1.00 0.00 C ATOM 229 CG GLN A 344 87.236 -7.615 1.769 1.00 0.00 C ATOM 230 CD GLN A 344 86.982 -7.304 0.306 1.00 0.00 C ATOM 231 OE1 GLN A 344 85.779 -7.611 -0.164 1.00 0.00 O flip ATOM 232 NE2 GLN A 344 87.858 -6.794 -0.393 1.00 0.00 N flip ATOM 0 H GLN A 344 84.456 -8.386 4.415 1.00 0.00 H new ATOM 0 HA GLN A 344 87.346 -7.760 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 344 85.192 -7.299 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 344 86.240 -5.930 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 344 88.217 -7.233 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 344 87.262 -8.696 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 344 88.769 -6.575 0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 344 87.673 -6.591 -1.375 1.00 0.00 H new ATOM 241 N VAL A 345 86.646 -5.164 4.856 1.00 0.00 N ATOM 242 CA VAL A 345 86.424 -3.975 5.670 1.00 0.00 C ATOM 243 C VAL A 345 85.630 -2.924 4.898 1.00 0.00 C ATOM 244 O VAL A 345 85.829 -2.744 3.697 1.00 0.00 O ATOM 245 CB VAL A 345 87.757 -3.359 6.140 1.00 0.00 C ATOM 246 CG1 VAL A 345 87.512 -2.210 7.108 1.00 0.00 C ATOM 247 CG2 VAL A 345 88.640 -4.423 6.776 1.00 0.00 C ATOM 0 H VAL A 345 87.345 -5.047 4.123 1.00 0.00 H new ATOM 0 HA VAL A 345 85.852 -4.288 6.544 1.00 0.00 H new ATOM 0 HB VAL A 345 88.275 -2.959 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 345 88.467 -1.792 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 345 86.924 -1.437 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 345 86.969 -2.577 7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 345 89.577 -3.971 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 345 88.127 -4.855 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 345 88.849 -5.206 6.047 1.00 0.00 H new ATOM 257 N CYS A 346 84.729 -2.237 5.599 1.00 0.00 N ATOM 258 CA CYS A 346 83.894 -1.199 4.992 1.00 0.00 C ATOM 259 C CYS A 346 84.696 -0.339 4.015 1.00 0.00 C ATOM 260 O CYS A 346 85.862 -0.031 4.258 1.00 0.00 O ATOM 261 CB CYS A 346 83.280 -0.321 6.087 1.00 0.00 C ATOM 262 SG CYS A 346 82.219 1.024 5.464 1.00 0.00 S ATOM 0 H CYS A 346 84.557 -2.381 6.594 1.00 0.00 H new ATOM 0 HA CYS A 346 83.098 -1.688 4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 346 82.693 -0.951 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 346 84.084 0.112 6.682 1.00 0.00 H new ATOM 267 N ASN A 347 84.063 0.038 2.905 1.00 0.00 N ATOM 268 CA ASN A 347 84.720 0.854 1.887 1.00 0.00 C ATOM 269 C ASN A 347 84.460 2.343 2.107 1.00 0.00 C ATOM 270 O ASN A 347 84.484 3.133 1.163 1.00 0.00 O ATOM 271 CB ASN A 347 84.238 0.452 0.494 1.00 0.00 C ATOM 272 CG ASN A 347 85.224 -0.450 -0.223 1.00 0.00 C ATOM 273 OD1 ASN A 347 85.922 -1.247 0.403 1.00 0.00 O ATOM 274 ND2 ASN A 347 85.285 -0.327 -1.544 1.00 0.00 N ATOM 0 H ASN A 347 83.097 -0.209 2.689 1.00 0.00 H new ATOM 0 HA ASN A 347 85.793 0.678 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 347 83.278 -0.058 0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 347 84.071 1.349 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 347 85.930 -0.907 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 347 84.687 0.347 -2.022 1.00 0.00 H new ATOM 281 N VAL A 348 84.212 2.718 3.352 1.00 0.00 N ATOM 282 CA VAL A 348 83.947 4.110 3.692 1.00 0.00 C ATOM 283 C VAL A 348 84.727 4.534 4.932 1.00 0.00 C ATOM 284 O VAL A 348 85.626 5.372 4.856 1.00 0.00 O ATOM 285 CB VAL A 348 82.446 4.353 3.937 1.00 0.00 C ATOM 286 CG1 VAL A 348 82.160 5.841 4.069 1.00 0.00 C ATOM 287 CG2 VAL A 348 81.615 3.741 2.819 1.00 0.00 C ATOM 0 H VAL A 348 84.188 2.078 4.146 1.00 0.00 H new ATOM 0 HA VAL A 348 84.271 4.709 2.841 1.00 0.00 H new ATOM 0 HB VAL A 348 82.167 3.868 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 348 81.095 5.993 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 348 82.725 6.247 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 348 82.455 6.351 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 348 80.557 3.923 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 348 81.895 4.194 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 348 81.796 2.667 2.777 1.00 0.00 H new ATOM 297 N CYS A 349 84.376 3.952 6.074 1.00 0.00 N ATOM 298 CA CYS A 349 85.044 4.272 7.331 1.00 0.00 C ATOM 299 C CYS A 349 86.240 3.354 7.565 1.00 0.00 C ATOM 300 O CYS A 349 87.244 3.764 8.147 1.00 0.00 O ATOM 301 CB CYS A 349 84.061 4.155 8.498 1.00 0.00 C ATOM 302 SG CYS A 349 83.294 2.511 8.662 1.00 0.00 S ATOM 0 H CYS A 349 83.634 3.257 6.155 1.00 0.00 H new ATOM 0 HA CYS A 349 85.406 5.298 7.269 1.00 0.00 H new ATOM 0 HB2 CYS A 349 84.583 4.395 9.424 1.00 0.00 H new ATOM 0 HB3 CYS A 349 83.275 4.900 8.373 1.00 0.00 H new ATOM 307 N GLN A 350 86.126 2.112 7.106 1.00 0.00 N ATOM 308 CA GLN A 350 87.200 1.138 7.265 1.00 0.00 C ATOM 309 C GLN A 350 87.504 0.896 8.741 1.00 0.00 C ATOM 310 O GLN A 350 88.244 1.657 9.364 1.00 0.00 O ATOM 311 CB GLN A 350 88.461 1.619 6.546 1.00 0.00 C ATOM 312 CG GLN A 350 88.479 1.292 5.062 1.00 0.00 C ATOM 313 CD GLN A 350 88.902 -0.138 4.785 1.00 0.00 C ATOM 314 OE1 GLN A 350 90.061 -0.523 5.306 1.00 0.00 O flip ATOM 315 NE2 GLN A 350 88.195 -0.887 4.111 1.00 0.00 N flip ATOM 0 H GLN A 350 85.302 1.756 6.622 1.00 0.00 H new ATOM 0 HA GLN A 350 86.872 0.198 6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 350 88.552 2.698 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 350 89.333 1.168 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 350 87.486 1.461 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 350 89.160 1.974 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 350 87.311 -0.548 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 350 88.493 -1.846 3.933 1.00 0.00 H new ATOM 324 N LYS A 351 86.929 -0.167 9.294 1.00 0.00 N ATOM 325 CA LYS A 351 87.142 -0.505 10.698 1.00 0.00 C ATOM 326 C LYS A 351 86.993 -2.006 10.928 1.00 0.00 C ATOM 327 O LYS A 351 86.648 -2.755 10.014 1.00 0.00 O ATOM 328 CB LYS A 351 86.154 0.258 11.583 1.00 0.00 C ATOM 329 CG LYS A 351 86.401 1.757 11.616 1.00 0.00 C ATOM 330 CD LYS A 351 85.820 2.389 12.871 1.00 0.00 C ATOM 331 CE LYS A 351 86.462 3.735 13.165 1.00 0.00 C ATOM 332 NZ LYS A 351 87.949 3.653 13.164 1.00 0.00 N ATOM 0 H LYS A 351 86.313 -0.808 8.794 1.00 0.00 H new ATOM 0 HA LYS A 351 88.159 -0.215 10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 351 85.141 0.073 11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 351 86.211 -0.134 12.599 1.00 0.00 H new ATOM 0 HG2 LYS A 351 87.473 1.951 11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 351 85.957 2.220 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 351 84.744 2.516 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 351 85.969 1.720 13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 351 86.138 4.462 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 351 86.119 4.097 14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 88.340 4.435 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 88.247 2.746 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 88.300 3.720 12.187 1.00 0.00 H new ATOM 346 N SER A 352 87.256 -2.439 12.158 1.00 0.00 N ATOM 347 CA SER A 352 87.152 -3.850 12.513 1.00 0.00 C ATOM 348 C SER A 352 85.710 -4.334 12.401 1.00 0.00 C ATOM 349 O SER A 352 84.908 -4.150 13.317 1.00 0.00 O ATOM 350 CB SER A 352 87.670 -4.079 13.934 1.00 0.00 C ATOM 351 OG SER A 352 86.986 -3.259 14.865 1.00 0.00 O ATOM 0 H SER A 352 87.543 -1.832 12.926 1.00 0.00 H new ATOM 0 HA SER A 352 87.763 -4.421 11.814 1.00 0.00 H new ATOM 0 HB2 SER A 352 87.543 -5.127 14.206 1.00 0.00 H new ATOM 0 HB3 SER A 352 88.738 -3.866 13.974 1.00 0.00 H new ATOM 0 HG SER A 352 86.026 -3.269 14.667 1.00 0.00 H new ATOM 357 N MET A 353 85.387 -4.952 11.269 1.00 0.00 N ATOM 358 CA MET A 353 84.041 -5.463 11.027 1.00 0.00 C ATOM 359 C MET A 353 83.939 -6.061 9.629 1.00 0.00 C ATOM 360 O MET A 353 84.891 -6.003 8.851 1.00 0.00 O ATOM 361 CB MET A 353 83.000 -4.348 11.190 1.00 0.00 C ATOM 362 CG MET A 353 83.458 -2.989 10.679 1.00 0.00 C ATOM 363 SD MET A 353 82.832 -1.625 11.679 1.00 0.00 S ATOM 364 CE MET A 353 84.068 -1.559 12.973 1.00 0.00 C ATOM 0 H MET A 353 86.041 -5.112 10.503 1.00 0.00 H new ATOM 0 HA MET A 353 83.840 -6.242 11.762 1.00 0.00 H new ATOM 0 HB2 MET A 353 82.091 -4.635 10.662 1.00 0.00 H new ATOM 0 HB3 MET A 353 82.741 -4.259 12.245 1.00 0.00 H new ATOM 0 HG2 MET A 353 84.547 -2.957 10.669 1.00 0.00 H new ATOM 0 HG3 MET A 353 83.126 -2.862 9.649 1.00 0.00 H new ATOM 0 HE1 MET A 353 84.187 -0.529 13.310 1.00 0.00 H new ATOM 0 HE2 MET A 353 83.752 -2.181 13.810 1.00 0.00 H new ATOM 0 HE3 MET A 353 85.019 -1.927 12.587 1.00 0.00 H new ATOM 374 N ILE A 354 82.760 -6.571 9.288 1.00 0.00 N ATOM 375 CA ILE A 354 82.512 -7.089 7.987 1.00 0.00 C ATOM 376 C ILE A 354 81.117 -6.709 7.601 1.00 0.00 C ATOM 377 O ILE A 354 80.132 -7.397 7.870 1.00 0.00 O ATOM 378 CB ILE A 354 82.653 -8.606 7.926 1.00 0.00 C ATOM 379 CG1 ILE A 354 84.106 -9.001 8.161 1.00 0.00 C ATOM 380 CG2 ILE A 354 82.148 -9.147 6.592 1.00 0.00 C ATOM 381 CD1 ILE A 354 84.411 -9.369 9.597 1.00 0.00 C ATOM 0 H ILE A 354 81.962 -6.628 9.921 1.00 0.00 H new ATOM 0 HA ILE A 354 83.250 -6.671 7.303 1.00 0.00 H new ATOM 0 HB ILE A 354 82.040 -9.047 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 354 84.352 -9.846 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 354 84.751 -8.175 7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 354 82.259 -10.231 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 354 81.096 -8.888 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 354 82.727 -8.709 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 354 85.463 -9.639 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 354 84.197 -8.518 10.244 1.00 0.00 H new ATOM 0 HD13 ILE A 354 83.792 -10.216 9.895 1.00 0.00 H new ATOM 393 N PHE A 355 81.096 -5.621 6.950 1.00 0.00 N ATOM 394 CA PHE A 355 79.882 -5.023 6.421 1.00 0.00 C ATOM 395 C PHE A 355 80.113 -4.514 5.005 1.00 0.00 C ATOM 396 O PHE A 355 80.998 -3.690 4.774 1.00 0.00 O ATOM 397 CB PHE A 355 79.415 -3.878 7.321 1.00 0.00 C ATOM 398 CG PHE A 355 78.433 -4.306 8.375 1.00 0.00 C ATOM 399 CD1 PHE A 355 77.105 -4.531 8.052 1.00 0.00 C ATOM 400 CD2 PHE A 355 78.839 -4.481 9.688 1.00 0.00 C ATOM 401 CE1 PHE A 355 76.199 -4.924 9.019 1.00 0.00 C ATOM 402 CE2 PHE A 355 77.938 -4.873 10.660 1.00 0.00 C ATOM 403 CZ PHE A 355 76.617 -5.096 10.324 1.00 0.00 C ATOM 0 H PHE A 355 81.937 -5.080 6.747 1.00 0.00 H new ATOM 0 HA PHE A 355 79.106 -5.788 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 355 80.283 -3.430 7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 355 78.959 -3.104 6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 355 76.774 -4.398 7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 355 79.871 -4.309 9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 355 75.166 -5.096 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 355 78.266 -5.005 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 355 75.911 -5.405 11.081 1.00 0.00 H new ATOM 413 N GLY A 356 79.314 -4.991 4.061 1.00 0.00 N ATOM 414 CA GLY A 356 79.460 -4.545 2.691 1.00 0.00 C ATOM 415 C GLY A 356 78.161 -4.571 1.934 1.00 0.00 C ATOM 416 O GLY A 356 77.572 -5.627 1.724 1.00 0.00 O ATOM 0 H GLY A 356 78.573 -5.674 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 356 79.861 -3.531 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 356 80.186 -5.179 2.182 1.00 0.00 H new ATOM 420 N VAL A 357 77.724 -3.404 1.514 1.00 0.00 N ATOM 421 CA VAL A 357 76.485 -3.281 0.763 1.00 0.00 C ATOM 422 C VAL A 357 76.769 -2.939 -0.691 1.00 0.00 C ATOM 423 O VAL A 357 77.586 -2.067 -0.986 1.00 0.00 O ATOM 424 CB VAL A 357 75.550 -2.214 1.372 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.382 -2.445 2.866 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.072 -0.809 1.099 1.00 0.00 C ATOM 0 H VAL A 357 78.207 -2.521 1.679 1.00 0.00 H new ATOM 0 HA VAL A 357 75.982 -4.246 0.816 1.00 0.00 H new ATOM 0 HB VAL A 357 74.574 -2.306 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.720 -1.684 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 357 74.951 -3.432 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 357 76.354 -2.385 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 357 75.394 -0.077 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.063 -0.697 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.133 -0.646 0.023 1.00 0.00 H new ATOM 436 N LYS A 358 76.094 -3.630 -1.598 1.00 0.00 N ATOM 437 CA LYS A 358 76.283 -3.392 -3.019 1.00 0.00 C ATOM 438 C LYS A 358 75.112 -2.614 -3.600 1.00 0.00 C ATOM 439 O LYS A 358 73.969 -3.071 -3.563 1.00 0.00 O ATOM 440 CB LYS A 358 76.447 -4.720 -3.762 1.00 0.00 C ATOM 441 CG LYS A 358 76.973 -4.563 -5.179 1.00 0.00 C ATOM 442 CD LYS A 358 76.385 -5.611 -6.110 1.00 0.00 C ATOM 443 CE LYS A 358 76.882 -7.005 -5.764 1.00 0.00 C ATOM 444 NZ LYS A 358 75.912 -7.745 -4.912 1.00 0.00 N ATOM 0 H LYS A 358 75.414 -4.357 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 358 77.188 -2.798 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 358 77.127 -5.360 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 358 75.484 -5.230 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 358 76.730 -3.567 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 358 78.060 -4.646 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 358 75.297 -5.585 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 358 76.651 -5.374 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 358 77.060 -7.565 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 358 77.838 -6.931 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 76.262 -7.775 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 74.991 -7.263 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 75.804 -8.715 -5.271 1.00 0.00 H new ATOM 458 N CYS A 359 75.408 -1.443 -4.149 1.00 0.00 N ATOM 459 CA CYS A 359 74.385 -0.605 -4.757 1.00 0.00 C ATOM 460 C CYS A 359 74.454 -0.731 -6.271 1.00 0.00 C ATOM 461 O CYS A 359 75.537 -0.662 -6.854 1.00 0.00 O ATOM 462 CB CYS A 359 74.554 0.862 -4.323 1.00 0.00 C ATOM 463 SG CYS A 359 75.553 1.898 -5.451 1.00 0.00 S ATOM 0 H CYS A 359 76.350 -1.052 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 359 73.405 -0.941 -4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 359 73.566 1.311 -4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 359 75.014 0.881 -3.335 1.00 0.00 H new ATOM 468 N LYS A 360 73.305 -0.906 -6.909 1.00 0.00 N ATOM 469 CA LYS A 360 73.246 -1.027 -8.318 1.00 0.00 C ATOM 470 C LYS A 360 73.350 0.339 -8.952 1.00 0.00 C ATOM 471 O LYS A 360 73.643 1.336 -8.292 1.00 0.00 O ATOM 472 CB LYS A 360 71.938 -1.709 -8.702 1.00 0.00 C ATOM 473 CG LYS A 360 72.099 -3.161 -9.122 1.00 0.00 C ATOM 474 CD LYS A 360 72.842 -3.968 -8.069 1.00 0.00 C ATOM 475 CE LYS A 360 72.044 -4.070 -6.779 1.00 0.00 C ATOM 476 NZ LYS A 360 70.795 -4.861 -6.960 1.00 0.00 N ATOM 0 H LYS A 360 72.399 -0.965 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 360 74.078 -1.632 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 360 71.252 -1.660 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 360 71.477 -1.154 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 360 71.117 -3.602 -9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 360 72.640 -3.209 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 360 73.045 -4.968 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 360 73.806 -3.502 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 360 72.659 -4.534 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 360 71.792 -3.069 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 70.394 -5.095 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 70.106 -4.302 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 71.011 -5.739 -7.474 1.00 0.00 H new ATOM 490 N HIS A 361 73.113 0.361 -10.233 1.00 0.00 N ATOM 491 CA HIS A 361 73.172 1.586 -11.029 1.00 0.00 C ATOM 492 C HIS A 361 74.601 2.135 -11.109 1.00 0.00 C ATOM 493 O HIS A 361 74.993 2.718 -12.119 1.00 0.00 O ATOM 494 CB HIS A 361 72.237 2.648 -10.443 1.00 0.00 C ATOM 495 CG HIS A 361 70.929 2.756 -11.164 1.00 0.00 C ATOM 496 ND1 HIS A 361 69.867 1.908 -10.929 1.00 0.00 N ATOM 497 CD2 HIS A 361 70.513 3.620 -12.120 1.00 0.00 C ATOM 498 CE1 HIS A 361 68.856 2.246 -11.709 1.00 0.00 C ATOM 499 NE2 HIS A 361 69.222 3.281 -12.441 1.00 0.00 N ATOM 0 H HIS A 361 72.870 -0.470 -10.772 1.00 0.00 H new ATOM 0 HA HIS A 361 72.847 1.339 -12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 361 72.047 2.415 -9.395 1.00 0.00 H new ATOM 0 HB3 HIS A 361 72.738 3.616 -10.469 1.00 0.00 H new ATOM 0 HD1 HIS A 361 69.863 1.140 -10.258 1.00 0.00 H new ATOM 0 HD2 HIS A 361 71.089 4.426 -12.550 1.00 0.00 H new ATOM 0 HE1 HIS A 361 67.893 1.758 -11.742 1.00 0.00 H new ATOM 508 N CYS A 362 75.371 1.951 -10.038 1.00 0.00 N ATOM 509 CA CYS A 362 76.749 2.433 -9.984 1.00 0.00 C ATOM 510 C CYS A 362 77.712 1.309 -9.606 1.00 0.00 C ATOM 511 O CYS A 362 78.838 1.254 -10.099 1.00 0.00 O ATOM 512 CB CYS A 362 76.886 3.581 -8.972 1.00 0.00 C ATOM 513 SG CYS A 362 75.313 4.363 -8.479 1.00 0.00 S ATOM 0 H CYS A 362 75.062 1.470 -9.193 1.00 0.00 H new ATOM 0 HA CYS A 362 77.005 2.798 -10.979 1.00 0.00 H new ATOM 0 HB2 CYS A 362 77.382 3.201 -8.079 1.00 0.00 H new ATOM 0 HB3 CYS A 362 77.537 4.345 -9.397 1.00 0.00 H new ATOM 518 N ARG A 363 77.266 0.422 -8.716 1.00 0.00 N ATOM 519 CA ARG A 363 78.088 -0.695 -8.254 1.00 0.00 C ATOM 520 C ARG A 363 79.137 -0.211 -7.257 1.00 0.00 C ATOM 521 O ARG A 363 80.315 -0.085 -7.590 1.00 0.00 O ATOM 522 CB ARG A 363 78.769 -1.399 -9.433 1.00 0.00 C ATOM 523 CG ARG A 363 77.840 -1.659 -10.609 1.00 0.00 C ATOM 524 CD ARG A 363 76.605 -2.435 -10.183 1.00 0.00 C ATOM 525 NE ARG A 363 75.849 -2.934 -11.329 1.00 0.00 N ATOM 526 CZ ARG A 363 76.190 -4.013 -12.029 1.00 0.00 C ATOM 527 NH1 ARG A 363 77.272 -4.709 -11.704 1.00 0.00 N ATOM 528 NH2 ARG A 363 75.447 -4.398 -13.058 1.00 0.00 N ATOM 0 H ARG A 363 76.336 0.457 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 363 77.433 -1.411 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 363 79.608 -0.792 -9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 363 79.180 -2.348 -9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 363 77.539 -0.710 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 363 78.373 -2.216 -11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 363 76.903 -3.273 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 363 75.965 -1.793 -9.578 1.00 0.00 H new ATOM 0 HE ARG A 363 75.010 -2.425 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 363 77.847 -4.418 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 363 77.528 -5.535 -12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 363 74.614 -3.867 -13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 363 75.708 -5.225 -13.595 1.00 0.00 H new ATOM 542 N LEU A 364 78.695 0.067 -6.034 1.00 0.00 N ATOM 543 CA LEU A 364 79.590 0.547 -4.983 1.00 0.00 C ATOM 544 C LEU A 364 79.516 -0.344 -3.747 1.00 0.00 C ATOM 545 O LEU A 364 78.566 -1.108 -3.577 1.00 0.00 O ATOM 546 CB LEU A 364 79.228 1.985 -4.603 1.00 0.00 C ATOM 547 CG LEU A 364 80.410 2.871 -4.205 1.00 0.00 C ATOM 548 CD1 LEU A 364 81.248 3.222 -5.424 1.00 0.00 C ATOM 549 CD2 LEU A 364 79.918 4.133 -3.513 1.00 0.00 C ATOM 0 H LEU A 364 77.722 -0.032 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 364 80.609 0.516 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 364 78.715 2.448 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 364 78.520 1.958 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 364 81.037 2.317 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 364 82.084 3.853 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 364 81.629 2.308 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 364 80.632 3.758 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 364 80.771 4.752 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 364 79.270 4.690 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 364 79.360 3.862 -2.617 1.00 0.00 H new ATOM 561 N LYS A 365 80.520 -0.233 -2.878 1.00 0.00 N ATOM 562 CA LYS A 365 80.557 -1.021 -1.653 1.00 0.00 C ATOM 563 C LYS A 365 80.646 -0.107 -0.435 1.00 0.00 C ATOM 564 O LYS A 365 81.488 0.789 -0.381 1.00 0.00 O ATOM 565 CB LYS A 365 81.746 -1.984 -1.674 1.00 0.00 C ATOM 566 CG LYS A 365 81.857 -2.844 -0.424 1.00 0.00 C ATOM 567 CD LYS A 365 81.305 -4.243 -0.657 1.00 0.00 C ATOM 568 CE LYS A 365 82.288 -5.313 -0.208 1.00 0.00 C ATOM 569 NZ LYS A 365 82.354 -5.420 1.276 1.00 0.00 N ATOM 0 H LYS A 365 81.315 0.394 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 365 79.637 -1.601 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 365 81.661 -2.634 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 365 82.665 -1.410 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 365 82.901 -2.910 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 365 81.315 -2.370 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 365 80.366 -4.360 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.081 -4.375 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 365 81.994 -6.275 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 365 83.279 -5.083 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 83.330 -5.632 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 82.053 -4.520 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 81.725 -6.183 1.597 1.00 0.00 H new ATOM 583 N CYS A 366 79.767 -0.333 0.534 1.00 0.00 N ATOM 584 CA CYS A 366 79.741 0.478 1.747 1.00 0.00 C ATOM 585 C CYS A 366 79.054 -0.262 2.890 1.00 0.00 C ATOM 586 O CYS A 366 78.314 -1.217 2.667 1.00 0.00 O ATOM 587 CB CYS A 366 79.040 1.818 1.491 1.00 0.00 C ATOM 588 SG CYS A 366 77.711 1.752 0.265 1.00 0.00 S ATOM 0 H CYS A 366 79.063 -1.070 0.504 1.00 0.00 H new ATOM 0 HA CYS A 366 80.774 0.672 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 366 78.630 2.184 2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 366 79.783 2.545 1.163 1.00 0.00 H new ATOM 0 HG CYS A 366 77.187 2.934 0.129 1.00 0.00 H new ATOM 594 N HIS A 367 79.303 0.195 4.116 1.00 0.00 N ATOM 595 CA HIS A 367 78.707 -0.403 5.312 1.00 0.00 C ATOM 596 C HIS A 367 77.207 -0.622 5.128 1.00 0.00 C ATOM 597 O HIS A 367 76.652 -0.330 4.069 1.00 0.00 O ATOM 598 CB HIS A 367 78.931 0.521 6.511 1.00 0.00 C ATOM 599 CG HIS A 367 79.837 -0.041 7.558 1.00 0.00 C ATOM 600 ND1 HIS A 367 81.054 0.532 7.819 1.00 0.00 N ATOM 601 CD2 HIS A 367 79.654 -1.097 8.386 1.00 0.00 C ATOM 602 CE1 HIS A 367 81.587 -0.181 8.796 1.00 0.00 C ATOM 603 NE2 HIS A 367 80.775 -1.181 9.172 1.00 0.00 N ATOM 0 H HIS A 367 79.919 0.985 4.309 1.00 0.00 H new ATOM 0 HA HIS A 367 79.183 -1.368 5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 367 79.346 1.464 6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 367 77.967 0.748 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 367 78.792 -1.747 8.421 1.00 0.00 H new ATOM 0 HE1 HIS A 367 82.553 0.016 9.236 1.00 0.00 H new ATOM 0 HE2 HIS A 367 80.956 -1.870 9.901 1.00 0.00 H new ATOM 611 N ASN A 368 76.543 -1.104 6.177 1.00 0.00 N ATOM 612 CA ASN A 368 75.100 -1.322 6.125 1.00 0.00 C ATOM 613 C ASN A 368 74.412 -0.095 5.531 1.00 0.00 C ATOM 614 O ASN A 368 73.361 -0.196 4.898 1.00 0.00 O ATOM 615 CB ASN A 368 74.550 -1.608 7.523 1.00 0.00 C ATOM 616 CG ASN A 368 74.926 -0.532 8.523 1.00 0.00 C ATOM 617 OD1 ASN A 368 75.894 0.202 8.328 1.00 0.00 O ATOM 618 ND2 ASN A 368 74.159 -0.434 9.603 1.00 0.00 N ATOM 0 H ASN A 368 76.978 -1.349 7.067 1.00 0.00 H new ATOM 0 HA ASN A 368 74.899 -2.186 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 368 73.464 -1.691 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 368 74.928 -2.570 7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 368 74.363 0.271 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 368 73.366 -1.064 9.724 1.00 0.00 H new ATOM 625 N LYS A 369 75.038 1.063 5.731 1.00 0.00 N ATOM 626 CA LYS A 369 74.527 2.322 5.214 1.00 0.00 C ATOM 627 C LYS A 369 75.650 3.353 5.139 1.00 0.00 C ATOM 628 O LYS A 369 76.023 3.800 4.054 1.00 0.00 O ATOM 629 CB LYS A 369 73.384 2.840 6.091 1.00 0.00 C ATOM 630 CG LYS A 369 72.020 2.759 5.423 1.00 0.00 C ATOM 631 CD LYS A 369 72.043 3.368 4.030 1.00 0.00 C ATOM 632 CE LYS A 369 70.797 4.196 3.761 1.00 0.00 C ATOM 633 NZ LYS A 369 69.551 3.434 4.049 1.00 0.00 N ATOM 0 H LYS A 369 75.909 1.151 6.254 1.00 0.00 H new ATOM 0 HA LYS A 369 74.138 2.153 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 369 73.360 2.267 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 369 73.586 3.876 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 369 71.706 1.717 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 369 71.283 3.278 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.928 3.995 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 369 72.121 2.575 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 369 70.821 5.097 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.793 4.518 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 68.757 3.856 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 69.673 2.444 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 69.350 3.469 5.069 1.00 0.00 H new ATOM 647 N CYS A 370 76.188 3.718 6.303 1.00 0.00 N ATOM 648 CA CYS A 370 77.281 4.692 6.394 1.00 0.00 C ATOM 649 C CYS A 370 77.086 5.852 5.419 1.00 0.00 C ATOM 650 O CYS A 370 78.053 6.442 4.935 1.00 0.00 O ATOM 651 CB CYS A 370 78.621 4.005 6.127 1.00 0.00 C ATOM 652 SG CYS A 370 79.571 3.612 7.636 1.00 0.00 S ATOM 0 H CYS A 370 75.883 3.351 7.204 1.00 0.00 H new ATOM 0 HA CYS A 370 77.277 5.101 7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 370 78.441 3.083 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 370 79.226 4.648 5.487 1.00 0.00 H new ATOM 657 N THR A 371 75.830 6.170 5.136 1.00 0.00 N ATOM 658 CA THR A 371 75.499 7.256 4.218 1.00 0.00 C ATOM 659 C THR A 371 76.119 8.571 4.679 1.00 0.00 C ATOM 660 O THR A 371 76.475 9.421 3.863 1.00 0.00 O ATOM 661 CB THR A 371 73.982 7.407 4.102 1.00 0.00 C ATOM 662 OG1 THR A 371 73.351 7.101 5.332 1.00 0.00 O ATOM 663 CG2 THR A 371 73.372 6.519 3.039 1.00 0.00 C ATOM 0 H THR A 371 75.020 5.691 5.529 1.00 0.00 H new ATOM 0 HA THR A 371 75.910 7.008 3.239 1.00 0.00 H new ATOM 0 HB THR A 371 73.816 8.447 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 371 72.381 7.205 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 371 72.294 6.675 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 371 73.802 6.766 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 371 73.581 5.475 3.273 1.00 0.00 H new ATOM 671 N LYS A 372 76.244 8.733 5.992 1.00 0.00 N ATOM 672 CA LYS A 372 76.820 9.945 6.561 1.00 0.00 C ATOM 673 C LYS A 372 78.281 10.100 6.152 1.00 0.00 C ATOM 674 O LYS A 372 78.797 11.215 6.067 1.00 0.00 O ATOM 675 CB LYS A 372 76.706 9.922 8.087 1.00 0.00 C ATOM 676 CG LYS A 372 75.352 9.446 8.590 1.00 0.00 C ATOM 677 CD LYS A 372 75.433 8.046 9.175 1.00 0.00 C ATOM 678 CE LYS A 372 74.052 7.445 9.376 1.00 0.00 C ATOM 679 NZ LYS A 372 73.668 6.547 8.251 1.00 0.00 N ATOM 0 H LYS A 372 75.954 8.040 6.682 1.00 0.00 H new ATOM 0 HA LYS A 372 76.261 10.797 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 372 77.483 9.273 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 372 76.895 10.924 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 372 74.981 10.137 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 372 74.634 9.457 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 372 76.016 7.407 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 372 75.959 8.079 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 372 74.032 6.885 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 372 73.318 8.245 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 72.713 6.171 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 73.678 7.083 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 74.344 5.759 8.189 1.00 0.00 H new ATOM 693 N GLU A 373 78.945 8.976 5.900 1.00 0.00 N ATOM 694 CA GLU A 373 80.347 8.990 5.502 1.00 0.00 C ATOM 695 C GLU A 373 80.489 8.832 3.991 1.00 0.00 C ATOM 696 O GLU A 373 81.016 9.713 3.312 1.00 0.00 O ATOM 697 CB GLU A 373 81.113 7.876 6.218 1.00 0.00 C ATOM 698 CG GLU A 373 81.404 8.181 7.678 1.00 0.00 C ATOM 699 CD GLU A 373 80.357 7.607 8.613 1.00 0.00 C ATOM 700 OE1 GLU A 373 79.165 7.604 8.239 1.00 0.00 O ATOM 701 OE2 GLU A 373 80.729 7.161 9.719 1.00 0.00 O ATOM 0 H GLU A 373 78.534 8.045 5.965 1.00 0.00 H new ATOM 0 HA GLU A 373 80.769 9.954 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 373 80.537 6.952 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 373 82.054 7.701 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 373 82.382 7.778 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 373 81.457 9.261 7.816 1.00 0.00 H new ATOM 708 N ALA A 374 80.018 7.703 3.470 1.00 0.00 N ATOM 709 CA ALA A 374 80.095 7.430 2.039 1.00 0.00 C ATOM 710 C ALA A 374 79.378 8.510 1.233 1.00 0.00 C ATOM 711 O ALA A 374 78.462 9.164 1.733 1.00 0.00 O ATOM 712 CB ALA A 374 79.509 6.061 1.729 1.00 0.00 C ATOM 0 H ALA A 374 79.579 6.963 4.017 1.00 0.00 H new ATOM 0 HA ALA A 374 81.146 7.436 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 374 79.574 5.872 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 374 80.068 5.296 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 374 78.465 6.033 2.040 1.00 0.00 H new ATOM 718 N PRO A 375 79.787 8.712 -0.032 1.00 0.00 N ATOM 719 CA PRO A 375 79.179 9.718 -0.907 1.00 0.00 C ATOM 720 C PRO A 375 77.802 9.296 -1.406 1.00 0.00 C ATOM 721 O PRO A 375 77.302 8.228 -1.053 1.00 0.00 O ATOM 722 CB PRO A 375 80.165 9.810 -2.071 1.00 0.00 C ATOM 723 CG PRO A 375 80.805 8.466 -2.128 1.00 0.00 C ATOM 724 CD PRO A 375 80.874 7.975 -0.707 1.00 0.00 C ATOM 0 HA PRO A 375 79.015 10.664 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 375 79.655 10.046 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 375 80.904 10.594 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 375 80.224 7.784 -2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 375 81.800 8.527 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 375 80.725 6.897 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 375 81.843 8.188 -0.256 1.00 0.00 H new ATOM 732 N ALA A 376 77.193 10.142 -2.232 1.00 0.00 N ATOM 733 CA ALA A 376 75.874 9.857 -2.781 1.00 0.00 C ATOM 734 C ALA A 376 75.981 9.095 -4.098 1.00 0.00 C ATOM 735 O ALA A 376 76.863 9.367 -4.913 1.00 0.00 O ATOM 736 CB ALA A 376 75.094 11.148 -2.978 1.00 0.00 C ATOM 0 H ALA A 376 77.593 11.030 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 376 75.339 9.228 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 376 74.110 10.920 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 376 74.978 11.653 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 376 75.633 11.797 -3.668 1.00 0.00 H new ATOM 742 N CYS A 377 75.079 8.140 -4.299 1.00 0.00 N ATOM 743 CA CYS A 377 75.074 7.340 -5.517 1.00 0.00 C ATOM 744 C CYS A 377 74.419 8.101 -6.666 1.00 0.00 C ATOM 745 O CYS A 377 73.261 8.508 -6.574 1.00 0.00 O ATOM 746 CB CYS A 377 74.342 6.017 -5.277 1.00 0.00 C ATOM 747 SG CYS A 377 75.363 4.538 -5.575 1.00 0.00 S ATOM 0 H CYS A 377 74.343 7.902 -3.634 1.00 0.00 H new ATOM 0 HA CYS A 377 76.108 7.130 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 377 73.981 5.995 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 377 73.465 5.977 -5.923 1.00 0.00 H new ATOM 752 N ARG A 378 75.169 8.291 -7.747 1.00 0.00 N ATOM 753 CA ARG A 378 74.662 9.004 -8.914 1.00 0.00 C ATOM 754 C ARG A 378 74.221 8.027 -9.999 1.00 0.00 C ATOM 755 O ARG A 378 74.393 6.806 -9.801 1.00 0.00 O ATOM 756 CB ARG A 378 75.732 9.948 -9.465 1.00 0.00 C ATOM 757 CG ARG A 378 76.968 9.231 -9.982 1.00 0.00 C ATOM 758 CD ARG A 378 78.098 10.207 -10.271 1.00 0.00 C ATOM 759 NE ARG A 378 79.239 9.551 -10.905 1.00 0.00 N ATOM 760 CZ ARG A 378 80.117 8.794 -10.251 1.00 0.00 C ATOM 761 NH1 ARG A 378 79.989 8.595 -8.945 1.00 0.00 N ATOM 762 NH2 ARG A 378 81.126 8.234 -10.904 1.00 0.00 N ATOM 763 OXT ARG A 378 73.707 8.492 -11.038 1.00 0.00 O ATOM 0 H ARG A 378 76.130 7.961 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 378 73.796 9.589 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 378 75.301 10.540 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 378 76.028 10.645 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 378 77.299 8.497 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 378 76.719 8.682 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 378 77.732 11.004 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 378 78.420 10.675 -9.341 1.00 0.00 H new ATOM 0 HE ARG A 378 79.371 9.681 -11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 378 79.215 9.023 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 378 80.665 8.014 -8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 378 81.229 8.383 -11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 378 81.799 7.654 -10.403 1.00 0.00 H new TER 777 ARG A 378 HETATM 778 ZN ZN A 1 74.162 3.094 -6.899 1.00 0.00 ZN HETATM 779 ZN ZN A 2 81.516 2.385 7.205 1.00 0.00 ZN