USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 314 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 405 HIS HE2 : A 405 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 374 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 377 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0599) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= -0.641 USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 MET CE :methyl -129:sc= -2.28 (180deg=-7.44!) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 400 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-0.82) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 91:sc= 0.322 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 29:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 373 -2.813 21.513 -9.765 1.00 0.00 N ATOM 2 CA GLY A 373 -2.558 22.941 -9.715 1.00 0.00 C ATOM 3 C GLY A 373 -1.489 23.304 -8.704 1.00 0.00 C ATOM 4 O GLY A 373 -0.297 23.269 -9.011 1.00 0.00 O ATOM 0 HA2 GLY A 373 -2.252 23.287 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -3.482 23.463 -9.466 1.00 0.00 H new ATOM 8 N SER A 374 -1.914 23.656 -7.495 1.00 0.00 N ATOM 9 CA SER A 374 -0.985 24.033 -6.437 1.00 0.00 C ATOM 10 C SER A 374 -0.054 22.874 -6.093 1.00 0.00 C ATOM 11 O SER A 374 1.169 23.008 -6.145 1.00 0.00 O ATOM 12 CB SER A 374 -1.751 24.474 -5.189 1.00 0.00 C ATOM 13 OG SER A 374 -2.898 23.667 -4.983 1.00 0.00 O ATOM 0 H SER A 374 -2.897 23.688 -7.224 1.00 0.00 H new ATOM 0 HA SER A 374 -0.382 24.866 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 374 -1.099 24.414 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 374 -2.050 25.517 -5.292 1.00 0.00 H new ATOM 0 HG SER A 374 -3.369 23.968 -4.178 1.00 0.00 H new ATOM 19 N SER A 375 -0.642 21.735 -5.743 1.00 0.00 N ATOM 20 CA SER A 375 0.133 20.552 -5.386 1.00 0.00 C ATOM 21 C SER A 375 0.404 19.690 -6.615 1.00 0.00 C ATOM 22 O SER A 375 -0.001 20.028 -7.727 1.00 0.00 O ATOM 23 CB SER A 375 -0.607 19.732 -4.327 1.00 0.00 C ATOM 24 OG SER A 375 -0.731 20.457 -3.116 1.00 0.00 O ATOM 0 H SER A 375 -1.653 21.606 -5.699 1.00 0.00 H new ATOM 0 HA SER A 375 1.088 20.883 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 375 -1.597 19.463 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 375 -0.071 18.801 -4.144 1.00 0.00 H new ATOM 0 HG SER A 375 -1.209 19.912 -2.456 1.00 0.00 H new ATOM 30 N GLY A 376 1.094 18.572 -6.406 1.00 0.00 N ATOM 31 CA GLY A 376 1.409 17.678 -7.505 1.00 0.00 C ATOM 32 C GLY A 376 1.804 16.294 -7.031 1.00 0.00 C ATOM 33 O GLY A 376 1.367 15.290 -7.593 1.00 0.00 O ATOM 0 H GLY A 376 1.440 18.270 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 376 0.545 17.600 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 376 2.222 18.103 -8.093 1.00 0.00 H new ATOM 37 N SER A 377 2.634 16.239 -5.994 1.00 0.00 N ATOM 38 CA SER A 377 3.092 14.967 -5.448 1.00 0.00 C ATOM 39 C SER A 377 3.452 15.107 -3.972 1.00 0.00 C ATOM 40 O SER A 377 3.991 16.129 -3.547 1.00 0.00 O ATOM 41 CB SER A 377 4.302 14.457 -6.233 1.00 0.00 C ATOM 42 OG SER A 377 4.635 13.133 -5.854 1.00 0.00 O ATOM 0 H SER A 377 3.003 17.061 -5.515 1.00 0.00 H new ATOM 0 HA SER A 377 2.279 14.247 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 377 4.086 14.489 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 377 5.155 15.113 -6.060 1.00 0.00 H new ATOM 0 HG SER A 377 5.410 12.830 -6.371 1.00 0.00 H new ATOM 48 N SER A 378 3.148 14.073 -3.194 1.00 0.00 N ATOM 49 CA SER A 378 3.435 14.081 -1.765 1.00 0.00 C ATOM 50 C SER A 378 4.724 13.322 -1.465 1.00 0.00 C ATOM 51 O SER A 378 5.552 13.771 -0.673 1.00 0.00 O ATOM 52 CB SER A 378 2.273 13.462 -0.986 1.00 0.00 C ATOM 53 OG SER A 378 2.514 13.504 0.410 1.00 0.00 O ATOM 0 H SER A 378 2.703 13.219 -3.530 1.00 0.00 H new ATOM 0 HA SER A 378 3.562 15.117 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 378 1.352 13.997 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.129 12.429 -1.302 1.00 0.00 H new ATOM 0 HG SER A 378 1.756 13.104 0.885 1.00 0.00 H new ATOM 59 N GLY A 379 4.887 12.168 -2.105 1.00 0.00 N ATOM 60 CA GLY A 379 6.077 11.364 -1.894 1.00 0.00 C ATOM 61 C GLY A 379 5.925 9.954 -2.428 1.00 0.00 C ATOM 62 O GLY A 379 5.820 9.000 -1.658 1.00 0.00 O ATOM 0 H GLY A 379 4.216 11.776 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 379 6.927 11.844 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 379 6.300 11.324 -0.828 1.00 0.00 H new ATOM 66 N GLU A 380 5.912 9.821 -3.751 1.00 0.00 N ATOM 67 CA GLU A 380 5.770 8.517 -4.386 1.00 0.00 C ATOM 68 C GLU A 380 6.862 7.560 -3.916 1.00 0.00 C ATOM 69 O GLU A 380 8.041 7.915 -3.881 1.00 0.00 O ATOM 70 CB GLU A 380 5.821 8.657 -5.909 1.00 0.00 C ATOM 71 CG GLU A 380 6.981 9.505 -6.403 1.00 0.00 C ATOM 72 CD GLU A 380 7.277 9.288 -7.874 1.00 0.00 C ATOM 73 OE1 GLU A 380 7.912 8.264 -8.205 1.00 0.00 O ATOM 74 OE2 GLU A 380 6.875 10.140 -8.694 1.00 0.00 O ATOM 0 H GLU A 380 5.998 10.601 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 380 4.802 8.106 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 380 5.892 7.665 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 380 4.886 9.097 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 380 6.755 10.558 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 380 7.871 9.272 -5.819 1.00 0.00 H new ATOM 81 N LYS A 381 6.461 6.346 -3.554 1.00 0.00 N ATOM 82 CA LYS A 381 7.404 5.337 -3.086 1.00 0.00 C ATOM 83 C LYS A 381 7.658 4.288 -4.165 1.00 0.00 C ATOM 84 O LYS A 381 6.880 4.128 -5.105 1.00 0.00 O ATOM 85 CB LYS A 381 6.873 4.662 -1.819 1.00 0.00 C ATOM 86 CG LYS A 381 7.267 5.378 -0.539 1.00 0.00 C ATOM 87 CD LYS A 381 6.593 4.760 0.675 1.00 0.00 C ATOM 88 CE LYS A 381 5.152 5.227 0.810 1.00 0.00 C ATOM 89 NZ LYS A 381 4.467 4.585 1.966 1.00 0.00 N ATOM 0 H LYS A 381 5.489 6.037 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 381 8.347 5.834 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 381 5.786 4.607 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.243 3.637 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.349 5.337 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 381 6.994 6.431 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.618 3.673 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 381 7.148 5.025 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.131 6.310 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.609 4.998 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 3.438 4.618 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.774 3.594 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.711 5.093 2.840 1.00 0.00 H new ATOM 103 N PRO A 382 8.773 3.555 -4.027 1.00 0.00 N ATOM 104 CA PRO A 382 9.154 2.508 -4.980 1.00 0.00 C ATOM 105 C PRO A 382 8.231 1.296 -4.909 1.00 0.00 C ATOM 106 O PRO A 382 8.152 0.509 -5.852 1.00 0.00 O ATOM 107 CB PRO A 382 10.571 2.128 -4.541 1.00 0.00 C ATOM 108 CG PRO A 382 10.628 2.484 -3.095 1.00 0.00 C ATOM 109 CD PRO A 382 9.747 3.692 -2.931 1.00 0.00 C ATOM 0 HA PRO A 382 9.091 2.853 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.762 1.066 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.322 2.673 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.277 1.658 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.651 2.702 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.257 3.703 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.316 4.618 -3.012 1.00 0.00 H new ATOM 117 N TYR A 383 7.536 1.153 -3.786 1.00 0.00 N ATOM 118 CA TYR A 383 6.619 0.036 -3.592 1.00 0.00 C ATOM 119 C TYR A 383 5.235 0.531 -3.184 1.00 0.00 C ATOM 120 O TYR A 383 5.045 1.036 -2.078 1.00 0.00 O ATOM 121 CB TYR A 383 7.165 -0.920 -2.530 1.00 0.00 C ATOM 122 CG TYR A 383 8.631 -1.243 -2.702 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.101 -1.830 -3.870 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.548 -0.961 -1.697 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.440 -2.128 -4.032 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.889 -1.254 -1.850 1.00 0.00 C ATOM 127 CZ TYR A 383 11.330 -1.838 -3.019 1.00 0.00 C ATOM 128 OH TYR A 383 12.666 -2.132 -3.176 1.00 0.00 O ATOM 0 H TYR A 383 7.590 1.796 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 383 6.529 -0.496 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 383 7.012 -0.480 -1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.592 -1.847 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.407 -2.057 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.206 -0.505 -0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.788 -2.585 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.588 -1.027 -1.059 1.00 0.00 H new ATOM 0 HH TYR A 383 13.157 -1.864 -2.371 1.00 0.00 H new ATOM 138 N SER A 384 4.271 0.383 -4.087 1.00 0.00 N ATOM 139 CA SER A 384 2.904 0.818 -3.825 1.00 0.00 C ATOM 140 C SER A 384 1.898 -0.141 -4.455 1.00 0.00 C ATOM 141 O SER A 384 2.259 -0.990 -5.271 1.00 0.00 O ATOM 142 CB SER A 384 2.684 2.233 -4.363 1.00 0.00 C ATOM 143 OG SER A 384 2.469 2.218 -5.763 1.00 0.00 O ATOM 0 H SER A 384 4.411 -0.035 -5.007 1.00 0.00 H new ATOM 0 HA SER A 384 2.750 0.820 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 384 1.827 2.686 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 384 3.551 2.852 -4.132 1.00 0.00 H new ATOM 0 HG SER A 384 2.329 3.134 -6.082 1.00 0.00 H new ATOM 149 N CYS A 385 0.634 0.001 -4.072 1.00 0.00 N ATOM 150 CA CYS A 385 -0.426 -0.850 -4.598 1.00 0.00 C ATOM 151 C CYS A 385 -1.419 -0.036 -5.423 1.00 0.00 C ATOM 152 O CYS A 385 -2.538 0.242 -4.994 1.00 0.00 O ATOM 153 CB CYS A 385 -1.155 -1.558 -3.454 1.00 0.00 C ATOM 154 SG CYS A 385 -2.187 -2.962 -3.987 1.00 0.00 S ATOM 0 H CYS A 385 0.318 0.699 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 385 0.031 -1.598 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.419 -1.915 -2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.784 -0.835 -2.935 1.00 0.00 H new ATOM 159 N PRO A 386 -1.000 0.354 -6.636 1.00 0.00 N ATOM 160 CA PRO A 386 -1.838 1.140 -7.547 1.00 0.00 C ATOM 161 C PRO A 386 -3.007 0.334 -8.102 1.00 0.00 C ATOM 162 O PRO A 386 -3.935 0.890 -8.688 1.00 0.00 O ATOM 163 CB PRO A 386 -0.873 1.526 -8.671 1.00 0.00 C ATOM 164 CG PRO A 386 0.175 0.467 -8.651 1.00 0.00 C ATOM 165 CD PRO A 386 0.322 0.057 -7.212 1.00 0.00 C ATOM 0 HA PRO A 386 -2.295 1.993 -7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.381 1.562 -9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.442 2.513 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.116 -0.381 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.118 0.843 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.573 -1.000 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.113 0.617 -6.713 1.00 0.00 H new ATOM 173 N VAL A 387 -2.955 -0.981 -7.912 1.00 0.00 N ATOM 174 CA VAL A 387 -4.011 -1.865 -8.393 1.00 0.00 C ATOM 175 C VAL A 387 -5.344 -1.540 -7.727 1.00 0.00 C ATOM 176 O VAL A 387 -6.386 -1.509 -8.382 1.00 0.00 O ATOM 177 CB VAL A 387 -3.667 -3.343 -8.133 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.793 -4.246 -8.613 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.354 -3.711 -8.808 1.00 0.00 C ATOM 0 H VAL A 387 -2.193 -1.457 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.095 -1.703 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.550 -3.487 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.532 -5.287 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.711 -3.998 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -4.944 -4.101 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.126 -4.759 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.440 -3.551 -9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.554 -3.086 -8.412 1.00 0.00 H new ATOM 189 N CYS A 388 -5.304 -1.299 -6.421 1.00 0.00 N ATOM 190 CA CYS A 388 -6.508 -0.976 -5.665 1.00 0.00 C ATOM 191 C CYS A 388 -6.425 0.434 -5.086 1.00 0.00 C ATOM 192 O CYS A 388 -7.446 1.075 -4.840 1.00 0.00 O ATOM 193 CB CYS A 388 -6.714 -1.990 -4.538 1.00 0.00 C ATOM 194 SG CYS A 388 -5.512 -1.846 -3.177 1.00 0.00 S ATOM 0 H CYS A 388 -4.450 -1.321 -5.864 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.358 -1.021 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.719 -1.869 -4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.656 -2.996 -4.954 1.00 0.00 H new ATOM 199 N GLY A 389 -5.202 0.909 -4.872 1.00 0.00 N ATOM 200 CA GLY A 389 -5.009 2.239 -4.325 1.00 0.00 C ATOM 201 C GLY A 389 -4.594 2.212 -2.867 1.00 0.00 C ATOM 202 O GLY A 389 -5.402 2.490 -1.979 1.00 0.00 O ATOM 0 H GLY A 389 -4.342 0.397 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.249 2.761 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.933 2.808 -4.426 1.00 0.00 H new ATOM 206 N LEU A 390 -3.334 1.874 -2.618 1.00 0.00 N ATOM 207 CA LEU A 390 -2.814 1.809 -1.257 1.00 0.00 C ATOM 208 C LEU A 390 -1.291 1.724 -1.260 1.00 0.00 C ATOM 209 O LEU A 390 -0.717 0.708 -1.651 1.00 0.00 O ATOM 210 CB LEU A 390 -3.402 0.604 -0.522 1.00 0.00 C ATOM 211 CG LEU A 390 -3.344 0.655 1.005 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.484 -0.150 1.610 1.00 0.00 C ATOM 213 CD2 LEU A 390 -2.002 0.140 1.505 1.00 0.00 C ATOM 0 H LEU A 390 -2.653 1.641 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.108 2.721 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.444 0.494 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.877 -0.291 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 390 -3.453 1.693 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.426 -0.102 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -5.437 0.263 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -4.407 -1.189 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -1.978 0.184 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -1.864 -0.891 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -1.201 0.758 1.100 1.00 0.00 H new ATOM 225 N ARG A 391 -0.643 2.797 -0.818 1.00 0.00 N ATOM 226 CA ARG A 391 0.814 2.843 -0.769 1.00 0.00 C ATOM 227 C ARG A 391 1.356 1.826 0.232 1.00 0.00 C ATOM 228 O ARG A 391 0.628 1.346 1.101 1.00 0.00 O ATOM 229 CB ARG A 391 1.288 4.248 -0.393 1.00 0.00 C ATOM 230 CG ARG A 391 1.269 5.229 -1.554 1.00 0.00 C ATOM 231 CD ARG A 391 1.955 6.536 -1.190 1.00 0.00 C ATOM 232 NE ARG A 391 1.101 7.394 -0.374 1.00 0.00 N ATOM 233 CZ ARG A 391 1.344 8.683 -0.160 1.00 0.00 C ATOM 234 NH1 ARG A 391 2.410 9.258 -0.698 1.00 0.00 N ATOM 235 NH2 ARG A 391 0.519 9.398 0.595 1.00 0.00 N ATOM 0 H ARG A 391 -1.103 3.646 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 391 1.195 2.591 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.656 4.633 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.302 4.186 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 391 1.766 4.784 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.238 5.427 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 391 2.877 6.323 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 391 2.235 7.065 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 391 0.273 6.982 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 391 3.046 8.711 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 391 2.594 10.247 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -0.302 8.958 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 391 0.706 10.387 0.759 1.00 0.00 H new ATOM 249 N PHE A 392 2.638 1.503 0.102 1.00 0.00 N ATOM 250 CA PHE A 392 3.278 0.542 0.994 1.00 0.00 C ATOM 251 C PHE A 392 4.694 0.988 1.347 1.00 0.00 C ATOM 252 O PHE A 392 5.340 1.707 0.584 1.00 0.00 O ATOM 253 CB PHE A 392 3.314 -0.843 0.345 1.00 0.00 C ATOM 254 CG PHE A 392 2.134 -1.702 0.699 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.899 -1.482 0.111 1.00 0.00 C ATOM 256 CD2 PHE A 392 2.260 -2.729 1.621 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.189 -2.270 0.437 1.00 0.00 C ATOM 258 CE2 PHE A 392 1.176 -3.521 1.950 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.050 -3.292 1.356 1.00 0.00 C ATOM 0 H PHE A 392 3.254 1.892 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 392 2.693 0.490 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.357 -0.727 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 392 4.228 -1.353 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.785 -0.686 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 392 3.216 -2.913 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.147 -2.087 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 392 1.287 -4.318 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 392 -0.898 -3.911 1.610 1.00 0.00 H new ATOM 269 N LYS A 393 5.172 0.555 2.509 1.00 0.00 N ATOM 270 CA LYS A 393 6.511 0.907 2.965 1.00 0.00 C ATOM 271 C LYS A 393 7.460 -0.280 2.834 1.00 0.00 C ATOM 272 O LYS A 393 8.663 -0.107 2.639 1.00 0.00 O ATOM 273 CB LYS A 393 6.469 1.381 4.420 1.00 0.00 C ATOM 274 CG LYS A 393 5.972 2.807 4.580 1.00 0.00 C ATOM 275 CD LYS A 393 5.998 3.247 6.034 1.00 0.00 C ATOM 276 CE LYS A 393 4.845 2.641 6.820 1.00 0.00 C ATOM 277 NZ LYS A 393 3.612 3.470 6.723 1.00 0.00 N ATOM 0 H LYS A 393 4.651 -0.041 3.152 1.00 0.00 H new ATOM 0 HA LYS A 393 6.880 1.717 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 393 5.824 0.714 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 393 7.468 1.303 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 393 6.591 3.478 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 393 4.956 2.885 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 393 6.944 2.952 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 393 5.944 4.334 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 393 4.639 1.638 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 393 5.133 2.539 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 2.850 3.024 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 3.801 4.420 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 3.323 3.547 5.727 1.00 0.00 H new ATOM 291 N ARG A 394 6.911 -1.486 2.941 1.00 0.00 N ATOM 292 CA ARG A 394 7.708 -2.701 2.834 1.00 0.00 C ATOM 293 C ARG A 394 7.556 -3.332 1.452 1.00 0.00 C ATOM 294 O ARG A 394 6.506 -3.220 0.819 1.00 0.00 O ATOM 295 CB ARG A 394 7.296 -3.704 3.912 1.00 0.00 C ATOM 296 CG ARG A 394 7.895 -3.412 5.278 1.00 0.00 C ATOM 297 CD ARG A 394 6.977 -3.871 6.400 1.00 0.00 C ATOM 298 NE ARG A 394 7.424 -3.390 7.704 1.00 0.00 N ATOM 299 CZ ARG A 394 8.458 -3.903 8.362 1.00 0.00 C ATOM 300 NH1 ARG A 394 9.148 -4.908 7.839 1.00 0.00 N ATOM 301 NH2 ARG A 394 8.803 -3.412 9.545 1.00 0.00 N ATOM 0 H ARG A 394 5.917 -1.647 3.102 1.00 0.00 H new ATOM 0 HA ARG A 394 8.754 -2.432 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 394 6.209 -3.709 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.596 -4.704 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 394 8.859 -3.912 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 394 8.081 -2.342 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 394 5.965 -3.514 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 394 6.934 -4.960 6.411 1.00 0.00 H new ATOM 0 HE ARG A 394 6.915 -2.618 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 394 8.885 -5.289 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 394 9.941 -5.300 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 394 8.274 -2.640 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 394 9.597 -3.807 10.049 1.00 0.00 H new ATOM 315 N LYS A 395 8.611 -3.994 0.991 1.00 0.00 N ATOM 316 CA LYS A 395 8.596 -4.644 -0.315 1.00 0.00 C ATOM 317 C LYS A 395 8.080 -6.075 -0.204 1.00 0.00 C ATOM 318 O LYS A 395 7.543 -6.627 -1.165 1.00 0.00 O ATOM 319 CB LYS A 395 10.000 -4.642 -0.924 1.00 0.00 C ATOM 320 CG LYS A 395 10.046 -5.171 -2.347 1.00 0.00 C ATOM 321 CD LYS A 395 11.457 -5.563 -2.751 1.00 0.00 C ATOM 322 CE LYS A 395 11.560 -5.811 -4.249 1.00 0.00 C ATOM 323 NZ LYS A 395 12.922 -6.265 -4.643 1.00 0.00 N ATOM 0 H LYS A 395 9.488 -4.095 1.502 1.00 0.00 H new ATOM 0 HA LYS A 395 7.924 -4.084 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.391 -3.625 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.659 -5.245 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.388 -6.035 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.669 -4.411 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.151 -4.774 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 395 11.755 -6.462 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 395 10.827 -6.562 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.313 -4.896 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 12.952 -6.423 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 13.619 -5.537 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 13.149 -7.152 -4.150 1.00 0.00 H new ATOM 337 N ASP A 396 8.245 -6.670 0.972 1.00 0.00 N ATOM 338 CA ASP A 396 7.794 -8.036 1.208 1.00 0.00 C ATOM 339 C ASP A 396 6.314 -8.063 1.577 1.00 0.00 C ATOM 340 O ASP A 396 5.589 -8.986 1.207 1.00 0.00 O ATOM 341 CB ASP A 396 8.621 -8.684 2.320 1.00 0.00 C ATOM 342 CG ASP A 396 10.085 -8.819 1.948 1.00 0.00 C ATOM 343 OD1 ASP A 396 10.476 -8.302 0.881 1.00 0.00 O ATOM 344 OD2 ASP A 396 10.839 -9.443 2.724 1.00 0.00 O ATOM 0 H ASP A 396 8.688 -6.227 1.777 1.00 0.00 H new ATOM 0 HA ASP A 396 7.931 -8.602 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.533 -8.088 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.214 -9.670 2.545 1.00 0.00 H new ATOM 349 N ARG A 397 5.873 -7.045 2.310 1.00 0.00 N ATOM 350 CA ARG A 397 4.481 -6.954 2.731 1.00 0.00 C ATOM 351 C ARG A 397 3.580 -6.589 1.555 1.00 0.00 C ATOM 352 O ARG A 397 2.468 -7.101 1.429 1.00 0.00 O ATOM 353 CB ARG A 397 4.329 -5.916 3.845 1.00 0.00 C ATOM 354 CG ARG A 397 4.986 -6.326 5.153 1.00 0.00 C ATOM 355 CD ARG A 397 4.234 -7.467 5.819 1.00 0.00 C ATOM 356 NE ARG A 397 2.878 -7.081 6.202 1.00 0.00 N ATOM 357 CZ ARG A 397 1.912 -7.953 6.463 1.00 0.00 C ATOM 358 NH1 ARG A 397 2.150 -9.255 6.385 1.00 0.00 N ATOM 359 NH2 ARG A 397 0.704 -7.523 6.805 1.00 0.00 N ATOM 0 H ARG A 397 6.460 -6.272 2.624 1.00 0.00 H new ATOM 0 HA ARG A 397 4.178 -7.930 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 397 4.760 -4.972 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 397 3.268 -5.737 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 397 6.016 -6.628 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 397 5.023 -5.470 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 397 4.190 -8.318 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 397 4.781 -7.794 6.703 1.00 0.00 H new ATOM 0 HE ARG A 397 2.662 -6.087 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 397 3.078 -9.589 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 397 1.405 -9.922 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 397 0.518 -6.522 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -0.038 -8.193 7.005 1.00 0.00 H new ATOM 373 N MET A 398 4.068 -5.699 0.697 1.00 0.00 N ATOM 374 CA MET A 398 3.307 -5.266 -0.470 1.00 0.00 C ATOM 375 C MET A 398 3.196 -6.390 -1.494 1.00 0.00 C ATOM 376 O MET A 398 2.243 -6.442 -2.272 1.00 0.00 O ATOM 377 CB MET A 398 3.965 -4.041 -1.108 1.00 0.00 C ATOM 378 CG MET A 398 5.372 -4.304 -1.620 1.00 0.00 C ATOM 379 SD MET A 398 5.400 -4.789 -3.356 1.00 0.00 S ATOM 380 CE MET A 398 7.076 -4.341 -3.805 1.00 0.00 C ATOM 0 H MET A 398 4.986 -5.264 0.787 1.00 0.00 H new ATOM 0 HA MET A 398 2.303 -4.999 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.345 -3.695 -1.935 1.00 0.00 H new ATOM 0 HB3 MET A 398 3.999 -3.234 -0.376 1.00 0.00 H new ATOM 0 HG2 MET A 398 5.976 -3.406 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.832 -5.089 -1.020 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.060 -3.729 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.532 -3.777 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.657 -5.245 -3.990 1.00 0.00 H new ATOM 390 N SER A 399 4.175 -7.288 -1.490 1.00 0.00 N ATOM 391 CA SER A 399 4.189 -8.409 -2.422 1.00 0.00 C ATOM 392 C SER A 399 3.088 -9.410 -2.084 1.00 0.00 C ATOM 393 O SER A 399 2.604 -10.135 -2.954 1.00 0.00 O ATOM 394 CB SER A 399 5.551 -9.105 -2.396 1.00 0.00 C ATOM 395 OG SER A 399 5.835 -9.717 -3.642 1.00 0.00 O ATOM 0 H SER A 399 4.970 -7.261 -0.851 1.00 0.00 H new ATOM 0 HA SER A 399 4.007 -8.019 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 399 6.329 -8.380 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.564 -9.857 -1.607 1.00 0.00 H new ATOM 0 HG SER A 399 6.711 -10.154 -3.600 1.00 0.00 H new ATOM 401 N TYR A 400 2.696 -9.443 -0.816 1.00 0.00 N ATOM 402 CA TYR A 400 1.654 -10.355 -0.361 1.00 0.00 C ATOM 403 C TYR A 400 0.272 -9.729 -0.523 1.00 0.00 C ATOM 404 O TYR A 400 -0.728 -10.432 -0.666 1.00 0.00 O ATOM 405 CB TYR A 400 1.884 -10.738 1.102 1.00 0.00 C ATOM 406 CG TYR A 400 0.759 -11.553 1.699 1.00 0.00 C ATOM 407 CD1 TYR A 400 0.717 -12.933 1.545 1.00 0.00 C ATOM 408 CD2 TYR A 400 -0.260 -10.943 2.419 1.00 0.00 C ATOM 409 CE1 TYR A 400 -0.309 -13.681 2.088 1.00 0.00 C ATOM 410 CE2 TYR A 400 -1.290 -11.683 2.967 1.00 0.00 C ATOM 411 CZ TYR A 400 -1.310 -13.052 2.799 1.00 0.00 C ATOM 412 OH TYR A 400 -2.333 -13.794 3.343 1.00 0.00 O ATOM 0 H TYR A 400 3.084 -8.848 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 400 1.700 -11.253 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.812 -11.304 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 400 2.015 -9.830 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 400 1.500 -13.429 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 400 -0.247 -9.871 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 400 -0.328 -14.753 1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 400 -2.075 -11.193 3.524 1.00 0.00 H new ATOM 0 HH TYR A 400 -2.954 -13.199 3.813 1.00 0.00 H new ATOM 422 N HIS A 401 0.226 -8.400 -0.500 1.00 0.00 N ATOM 423 CA HIS A 401 -1.032 -7.677 -0.646 1.00 0.00 C ATOM 424 C HIS A 401 -1.349 -7.429 -2.118 1.00 0.00 C ATOM 425 O HIS A 401 -2.398 -7.838 -2.615 1.00 0.00 O ATOM 426 CB HIS A 401 -0.970 -6.347 0.105 1.00 0.00 C ATOM 427 CG HIS A 401 -2.151 -5.461 -0.146 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.403 -5.710 0.377 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.266 -4.322 -0.868 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.237 -4.763 -0.014 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.572 -3.908 -0.770 1.00 0.00 N ATOM 0 H HIS A 401 1.045 -7.803 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.826 -8.290 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.897 -6.546 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.062 -5.818 -0.184 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.647 -6.501 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.478 -3.830 -1.419 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.284 -4.699 0.241 1.00 0.00 H new ATOM 439 N VAL A 402 -0.436 -6.756 -2.810 1.00 0.00 N ATOM 440 CA VAL A 402 -0.617 -6.454 -4.224 1.00 0.00 C ATOM 441 C VAL A 402 -0.947 -7.714 -5.017 1.00 0.00 C ATOM 442 O VAL A 402 -1.741 -7.678 -5.957 1.00 0.00 O ATOM 443 CB VAL A 402 0.640 -5.797 -4.824 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.434 -5.498 -6.301 1.00 0.00 C ATOM 445 CG2 VAL A 402 0.994 -4.530 -4.060 1.00 0.00 C ATOM 0 H VAL A 402 0.437 -6.409 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.451 -5.755 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 402 1.472 -6.495 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.333 -5.034 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.232 -6.426 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.410 -4.819 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.885 -4.078 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.164 -3.826 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.187 -4.777 -3.016 1.00 0.00 H new ATOM 455 N ARG A 403 -0.331 -8.827 -4.632 1.00 0.00 N ATOM 456 CA ARG A 403 -0.558 -10.098 -5.307 1.00 0.00 C ATOM 457 C ARG A 403 -1.993 -10.575 -5.101 1.00 0.00 C ATOM 458 O ARG A 403 -2.569 -11.235 -5.966 1.00 0.00 O ATOM 459 CB ARG A 403 0.420 -11.155 -4.793 1.00 0.00 C ATOM 460 CG ARG A 403 1.751 -11.163 -5.528 1.00 0.00 C ATOM 461 CD ARG A 403 1.602 -11.699 -6.943 1.00 0.00 C ATOM 462 NE ARG A 403 2.684 -11.248 -7.815 1.00 0.00 N ATOM 463 CZ ARG A 403 2.899 -11.737 -9.031 1.00 0.00 C ATOM 464 NH1 ARG A 403 2.112 -12.687 -9.517 1.00 0.00 N ATOM 465 NH2 ARG A 403 3.904 -11.275 -9.765 1.00 0.00 N ATOM 0 H ARG A 403 0.329 -8.874 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.393 -9.948 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.602 -10.984 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 403 -0.041 -12.139 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 403 2.156 -10.151 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.467 -11.775 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 403 1.586 -12.789 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 403 0.646 -11.376 -7.355 1.00 0.00 H new ATOM 0 HE ARG A 403 3.308 -10.518 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 403 1.338 -13.045 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 403 2.280 -13.060 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 403 4.512 -10.544 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 403 4.069 -11.651 -10.699 1.00 0.00 H new ATOM 479 N SER A 404 -2.564 -10.236 -3.950 1.00 0.00 N ATOM 480 CA SER A 404 -3.930 -10.633 -3.628 1.00 0.00 C ATOM 481 C SER A 404 -4.887 -10.243 -4.749 1.00 0.00 C ATOM 482 O SER A 404 -5.900 -10.906 -4.975 1.00 0.00 O ATOM 483 CB SER A 404 -4.375 -9.987 -2.314 1.00 0.00 C ATOM 484 OG SER A 404 -5.422 -10.727 -1.711 1.00 0.00 O ATOM 0 H SER A 404 -2.102 -9.687 -3.225 1.00 0.00 H new ATOM 0 HA SER A 404 -3.951 -11.717 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.528 -9.926 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 404 -4.708 -8.966 -2.501 1.00 0.00 H new ATOM 0 HG SER A 404 -5.687 -10.295 -0.872 1.00 0.00 H new ATOM 490 N HIS A 405 -4.559 -9.162 -5.450 1.00 0.00 N ATOM 491 CA HIS A 405 -5.389 -8.683 -6.549 1.00 0.00 C ATOM 492 C HIS A 405 -5.149 -9.506 -7.811 1.00 0.00 C ATOM 493 O HIS A 405 -6.094 -9.929 -8.478 1.00 0.00 O ATOM 494 CB HIS A 405 -5.102 -7.207 -6.827 1.00 0.00 C ATOM 495 CG HIS A 405 -5.168 -6.344 -5.605 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.323 -6.157 -4.876 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.211 -5.616 -4.983 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.075 -5.350 -3.860 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.800 -5.008 -3.902 1.00 0.00 N ATOM 0 H HIS A 405 -3.725 -8.602 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.433 -8.794 -6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.112 -7.116 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.818 -6.838 -7.561 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.228 -6.576 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.177 -5.530 -5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -6.793 -5.025 -3.121 1.00 0.00 H new ATOM 507 N ASP A 406 -3.879 -9.729 -8.133 1.00 0.00 N ATOM 508 CA ASP A 406 -3.515 -10.502 -9.314 1.00 0.00 C ATOM 509 C ASP A 406 -4.124 -11.900 -9.259 1.00 0.00 C ATOM 510 O ASP A 406 -4.507 -12.462 -10.284 1.00 0.00 O ATOM 511 CB ASP A 406 -1.993 -10.601 -9.436 1.00 0.00 C ATOM 512 CG ASP A 406 -1.547 -10.980 -10.834 1.00 0.00 C ATOM 513 OD1 ASP A 406 -1.552 -10.097 -11.717 1.00 0.00 O ATOM 514 OD2 ASP A 406 -1.194 -12.159 -11.046 1.00 0.00 O ATOM 0 H ASP A 406 -3.085 -9.385 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 406 -3.910 -9.987 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -1.547 -9.645 -9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.622 -11.341 -8.727 1.00 0.00 H new ATOM 519 N GLY A 407 -4.211 -12.455 -8.054 1.00 0.00 N ATOM 520 CA GLY A 407 -4.773 -13.783 -7.887 1.00 0.00 C ATOM 521 C GLY A 407 -6.289 -13.773 -7.878 1.00 0.00 C ATOM 522 O GLY A 407 -6.926 -14.697 -8.385 1.00 0.00 O ATOM 0 H GLY A 407 -3.902 -12.009 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -4.422 -14.427 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -4.410 -14.213 -6.954 1.00 0.00 H new ATOM 526 N SER A 408 -6.869 -12.726 -7.300 1.00 0.00 N ATOM 527 CA SER A 408 -8.320 -12.602 -7.222 1.00 0.00 C ATOM 528 C SER A 408 -8.913 -12.292 -8.593 1.00 0.00 C ATOM 529 O SER A 408 -8.387 -11.465 -9.338 1.00 0.00 O ATOM 530 CB SER A 408 -8.707 -11.507 -6.227 1.00 0.00 C ATOM 531 OG SER A 408 -8.631 -11.980 -4.893 1.00 0.00 O ATOM 0 H SER A 408 -6.356 -11.951 -6.879 1.00 0.00 H new ATOM 0 HA SER A 408 -8.723 -13.554 -6.878 1.00 0.00 H new ATOM 0 HB2 SER A 408 -8.046 -10.649 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 408 -9.719 -11.162 -6.437 1.00 0.00 H new ATOM 0 HG SER A 408 -7.734 -11.810 -4.536 1.00 0.00 H new ATOM 537 N VAL A 409 -10.014 -12.963 -8.920 1.00 0.00 N ATOM 538 CA VAL A 409 -10.681 -12.759 -10.201 1.00 0.00 C ATOM 539 C VAL A 409 -11.423 -11.428 -10.228 1.00 0.00 C ATOM 540 O VAL A 409 -12.001 -11.007 -9.228 1.00 0.00 O ATOM 541 CB VAL A 409 -11.676 -13.895 -10.502 1.00 0.00 C ATOM 542 CG1 VAL A 409 -12.799 -13.908 -9.477 1.00 0.00 C ATOM 543 CG2 VAL A 409 -12.231 -13.757 -11.912 1.00 0.00 C ATOM 0 H VAL A 409 -10.462 -13.652 -8.316 1.00 0.00 H new ATOM 0 HA VAL A 409 -9.904 -12.754 -10.966 1.00 0.00 H new ATOM 0 HB VAL A 409 -11.146 -14.845 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -13.492 -14.718 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -12.381 -14.059 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -13.330 -12.957 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -12.932 -14.568 -12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -12.746 -12.801 -12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -11.413 -13.803 -12.631 1.00 0.00 H new ATOM 553 N GLY A 410 -11.403 -10.769 -11.383 1.00 0.00 N ATOM 554 CA GLY A 410 -12.078 -9.491 -11.520 1.00 0.00 C ATOM 555 C GLY A 410 -12.840 -9.375 -12.825 1.00 0.00 C ATOM 556 O GLY A 410 -13.846 -10.055 -13.028 1.00 0.00 O ATOM 0 H GLY A 410 -10.932 -11.097 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -12.768 -9.357 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -11.344 -8.687 -11.459 1.00 0.00 H new ATOM 560 N LYS A 411 -12.361 -8.510 -13.713 1.00 0.00 N ATOM 561 CA LYS A 411 -13.003 -8.306 -15.006 1.00 0.00 C ATOM 562 C LYS A 411 -12.400 -9.225 -16.064 1.00 0.00 C ATOM 563 O LYS A 411 -13.120 -9.939 -16.762 1.00 0.00 O ATOM 564 CB LYS A 411 -12.863 -6.846 -15.443 1.00 0.00 C ATOM 565 CG LYS A 411 -13.947 -6.393 -16.406 1.00 0.00 C ATOM 566 CD LYS A 411 -13.499 -5.193 -17.225 1.00 0.00 C ATOM 567 CE LYS A 411 -14.198 -5.148 -18.575 1.00 0.00 C ATOM 568 NZ LYS A 411 -15.523 -4.475 -18.491 1.00 0.00 N ATOM 0 H LYS A 411 -11.530 -7.939 -13.560 1.00 0.00 H new ATOM 0 HA LYS A 411 -14.061 -8.548 -14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -12.883 -6.208 -14.560 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -11.890 -6.708 -15.914 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -14.208 -7.214 -17.074 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -14.848 -6.138 -15.848 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -13.709 -4.276 -16.674 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -12.420 -5.235 -17.374 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -13.568 -4.622 -19.293 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -14.329 -6.163 -18.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -15.967 -4.465 -19.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -16.133 -4.991 -17.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -15.396 -3.498 -18.158 1.00 0.00 H new ATOM 582 N SER A 412 -11.076 -9.202 -16.177 1.00 0.00 N ATOM 583 CA SER A 412 -10.377 -10.031 -17.151 1.00 0.00 C ATOM 584 C SER A 412 -10.556 -11.512 -16.832 1.00 0.00 C ATOM 585 O SER A 412 -11.203 -11.873 -15.850 1.00 0.00 O ATOM 586 CB SER A 412 -8.889 -9.679 -17.177 1.00 0.00 C ATOM 587 OG SER A 412 -8.685 -8.302 -16.911 1.00 0.00 O ATOM 0 H SER A 412 -10.466 -8.618 -15.606 1.00 0.00 H new ATOM 0 HA SER A 412 -10.806 -9.835 -18.133 1.00 0.00 H new ATOM 0 HB2 SER A 412 -8.358 -10.278 -16.437 1.00 0.00 H new ATOM 0 HB3 SER A 412 -8.470 -9.930 -18.151 1.00 0.00 H new ATOM 0 HG SER A 412 -7.726 -8.103 -16.932 1.00 0.00 H new ATOM 593 N GLY A 413 -9.977 -12.366 -17.671 1.00 0.00 N ATOM 594 CA GLY A 413 -10.084 -13.798 -17.462 1.00 0.00 C ATOM 595 C GLY A 413 -8.746 -14.501 -17.573 1.00 0.00 C ATOM 596 O GLY A 413 -7.688 -13.871 -17.587 1.00 0.00 O ATOM 0 H GLY A 413 -9.436 -12.092 -18.491 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -10.510 -13.988 -16.477 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -10.774 -14.218 -18.194 1.00 0.00 H new ATOM 600 N PRO A 414 -8.781 -15.840 -17.653 1.00 0.00 N ATOM 601 CA PRO A 414 -7.570 -16.658 -17.764 1.00 0.00 C ATOM 602 C PRO A 414 -6.883 -16.497 -19.115 1.00 0.00 C ATOM 603 O PRO A 414 -7.540 -16.443 -20.154 1.00 0.00 O ATOM 604 CB PRO A 414 -8.091 -18.088 -17.596 1.00 0.00 C ATOM 605 CG PRO A 414 -9.515 -18.025 -18.029 1.00 0.00 C ATOM 606 CD PRO A 414 -10.006 -16.657 -17.643 1.00 0.00 C ATOM 0 HA PRO A 414 -6.818 -16.374 -17.028 1.00 0.00 H new ATOM 0 HB2 PRO A 414 -7.523 -18.791 -18.205 1.00 0.00 H new ATOM 0 HB3 PRO A 414 -8.006 -18.422 -16.562 1.00 0.00 H new ATOM 0 HG2 PRO A 414 -9.603 -18.182 -19.104 1.00 0.00 H new ATOM 0 HG3 PRO A 414 -10.105 -18.803 -17.544 1.00 0.00 H new ATOM 0 HD2 PRO A 414 -10.746 -16.281 -18.350 1.00 0.00 H new ATOM 0 HD3 PRO A 414 -10.478 -16.662 -16.660 1.00 0.00 H new ATOM 614 N SER A 415 -5.556 -16.423 -19.094 1.00 0.00 N ATOM 615 CA SER A 415 -4.779 -16.265 -20.319 1.00 0.00 C ATOM 616 C SER A 415 -3.626 -17.262 -20.363 1.00 0.00 C ATOM 617 O SER A 415 -2.537 -16.992 -19.857 1.00 0.00 O ATOM 618 CB SER A 415 -4.239 -14.838 -20.424 1.00 0.00 C ATOM 619 OG SER A 415 -5.209 -13.964 -20.975 1.00 0.00 O ATOM 0 H SER A 415 -4.996 -16.470 -18.243 1.00 0.00 H new ATOM 0 HA SER A 415 -5.437 -16.460 -21.166 1.00 0.00 H new ATOM 0 HB2 SER A 415 -3.945 -14.484 -19.436 1.00 0.00 H new ATOM 0 HB3 SER A 415 -3.343 -14.830 -21.045 1.00 0.00 H new ATOM 0 HG SER A 415 -4.839 -13.058 -21.030 1.00 0.00 H new ATOM 625 N SER A 416 -3.873 -18.418 -20.972 1.00 0.00 N ATOM 626 CA SER A 416 -2.858 -19.458 -21.079 1.00 0.00 C ATOM 627 C SER A 416 -1.676 -18.979 -21.917 1.00 0.00 C ATOM 628 O SER A 416 -1.840 -18.572 -23.066 1.00 0.00 O ATOM 629 CB SER A 416 -3.457 -20.723 -21.698 1.00 0.00 C ATOM 630 OG SER A 416 -3.827 -20.504 -23.048 1.00 0.00 O ATOM 0 H SER A 416 -4.768 -18.657 -21.399 1.00 0.00 H new ATOM 0 HA SER A 416 -2.501 -19.687 -20.075 1.00 0.00 H new ATOM 0 HB2 SER A 416 -2.733 -21.536 -21.643 1.00 0.00 H new ATOM 0 HB3 SER A 416 -4.330 -21.034 -21.124 1.00 0.00 H new ATOM 0 HG SER A 416 -3.246 -19.819 -23.439 1.00 0.00 H new ATOM 636 N GLY A 417 -0.483 -19.032 -21.332 1.00 0.00 N ATOM 637 CA GLY A 417 0.709 -18.601 -22.037 1.00 0.00 C ATOM 638 C GLY A 417 1.140 -19.588 -23.104 1.00 0.00 C ATOM 639 O GLY A 417 0.502 -19.653 -24.153 1.00 0.00 O ATOM 0 H GLY A 417 -0.321 -19.366 -20.382 1.00 0.00 H new ATOM 0 HA2 GLY A 417 0.524 -17.630 -22.497 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.521 -18.465 -21.323 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.054 -3.417 -2.757 1.00 0.00 ZN