USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, 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 401 HIS HE2 : A 401 HIS NE2 : A 201 ZNZN :(H bumps) 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= -0.165 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 57:sc= 0.0743 USER MOD Single : A 381 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.35) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -136:sc= -0.395 (180deg=-2.18!) USER MOD Single : A 398 MET CE :methyl -137:sc= -2.62 (180deg=-6.55!) USER MOD Single : A 399 SER OG : rot -85:sc= 1.26 USER MOD Single : A 400 TYR OH : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 SER OG : rot 47:sc= 0.0767 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 373 -8.885 10.621 1.993 1.00 0.00 N ATOM 2 CA GLY A 373 -8.814 11.089 3.365 1.00 0.00 C ATOM 3 C GLY A 373 -7.388 11.183 3.872 1.00 0.00 C ATOM 4 O GLY A 373 -7.066 10.659 4.939 1.00 0.00 O ATOM 0 HA2 GLY A 373 -9.287 12.068 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -9.381 10.414 4.006 1.00 0.00 H new ATOM 8 N SER A 374 -6.532 11.851 3.107 1.00 0.00 N ATOM 9 CA SER A 374 -5.131 12.007 3.482 1.00 0.00 C ATOM 10 C SER A 374 -4.552 13.292 2.899 1.00 0.00 C ATOM 11 O SER A 374 -4.837 13.652 1.757 1.00 0.00 O ATOM 12 CB SER A 374 -4.316 10.804 3.003 1.00 0.00 C ATOM 13 OG SER A 374 -4.953 9.586 3.349 1.00 0.00 O ATOM 0 H SER A 374 -6.783 12.293 2.223 1.00 0.00 H new ATOM 0 HA SER A 374 -5.076 12.065 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 374 -4.186 10.856 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 374 -3.320 10.836 3.445 1.00 0.00 H new ATOM 0 HG SER A 374 -4.413 8.833 3.031 1.00 0.00 H new ATOM 19 N SER A 375 -3.737 13.980 3.693 1.00 0.00 N ATOM 20 CA SER A 375 -3.120 15.227 3.258 1.00 0.00 C ATOM 21 C SER A 375 -2.320 15.020 1.976 1.00 0.00 C ATOM 22 O SER A 375 -2.490 15.748 1.000 1.00 0.00 O ATOM 23 CB SER A 375 -2.211 15.781 4.357 1.00 0.00 C ATOM 24 OG SER A 375 -1.809 17.108 4.066 1.00 0.00 O ATOM 0 H SER A 375 -3.489 13.695 4.640 1.00 0.00 H new ATOM 0 HA SER A 375 -3.914 15.946 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 375 -2.735 15.758 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 375 -1.331 15.146 4.460 1.00 0.00 H new ATOM 0 HG SER A 375 -1.230 17.439 4.784 1.00 0.00 H new ATOM 30 N GLY A 376 -1.444 14.019 1.988 1.00 0.00 N ATOM 31 CA GLY A 376 -0.630 13.732 0.822 1.00 0.00 C ATOM 32 C GLY A 376 0.806 13.405 1.183 1.00 0.00 C ATOM 33 O GLY A 376 1.461 14.163 1.897 1.00 0.00 O ATOM 0 H GLY A 376 -1.284 13.402 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 376 -1.064 12.894 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 376 -0.646 14.591 0.151 1.00 0.00 H new ATOM 37 N SER A 377 1.294 12.271 0.691 1.00 0.00 N ATOM 38 CA SER A 377 2.660 11.842 0.971 1.00 0.00 C ATOM 39 C SER A 377 3.562 12.077 -0.237 1.00 0.00 C ATOM 40 O SER A 377 3.453 11.387 -1.251 1.00 0.00 O ATOM 41 CB SER A 377 2.682 10.362 1.358 1.00 0.00 C ATOM 42 OG SER A 377 1.610 10.046 2.229 1.00 0.00 O ATOM 0 H SER A 377 0.765 11.633 0.097 1.00 0.00 H new ATOM 0 HA SER A 377 3.037 12.434 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 377 2.618 9.747 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 377 3.630 10.123 1.841 1.00 0.00 H new ATOM 0 HG SER A 377 1.646 9.094 2.460 1.00 0.00 H new ATOM 48 N SER A 378 4.453 13.056 -0.121 1.00 0.00 N ATOM 49 CA SER A 378 5.372 13.386 -1.204 1.00 0.00 C ATOM 50 C SER A 378 6.750 12.785 -0.948 1.00 0.00 C ATOM 51 O SER A 378 7.718 13.504 -0.703 1.00 0.00 O ATOM 52 CB SER A 378 5.486 14.904 -1.359 1.00 0.00 C ATOM 53 OG SER A 378 5.737 15.527 -0.112 1.00 0.00 O ATOM 0 H SER A 378 4.558 13.635 0.712 1.00 0.00 H new ATOM 0 HA SER A 378 4.975 12.962 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 378 6.289 15.142 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 378 4.565 15.299 -1.787 1.00 0.00 H new ATOM 0 HG SER A 378 6.547 15.146 0.287 1.00 0.00 H new ATOM 59 N GLY A 379 6.831 11.459 -1.008 1.00 0.00 N ATOM 60 CA GLY A 379 8.094 10.782 -0.781 1.00 0.00 C ATOM 61 C GLY A 379 8.335 9.657 -1.768 1.00 0.00 C ATOM 62 O GLY A 379 7.494 9.384 -2.624 1.00 0.00 O ATOM 0 H GLY A 379 6.044 10.842 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 379 8.907 11.504 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 379 8.111 10.382 0.233 1.00 0.00 H new ATOM 66 N GLU A 380 9.486 9.003 -1.650 1.00 0.00 N ATOM 67 CA GLU A 380 9.835 7.903 -2.541 1.00 0.00 C ATOM 68 C GLU A 380 9.187 6.602 -2.079 1.00 0.00 C ATOM 69 O GLU A 380 9.574 6.030 -1.060 1.00 0.00 O ATOM 70 CB GLU A 380 11.354 7.734 -2.608 1.00 0.00 C ATOM 71 CG GLU A 380 11.818 6.850 -3.754 1.00 0.00 C ATOM 72 CD GLU A 380 13.251 7.130 -4.164 1.00 0.00 C ATOM 73 OE1 GLU A 380 13.573 8.306 -4.431 1.00 0.00 O ATOM 74 OE2 GLU A 380 14.050 6.172 -4.217 1.00 0.00 O ATOM 0 H GLU A 380 10.193 9.216 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 380 9.459 8.142 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 380 11.816 8.716 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 380 11.706 7.310 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 380 11.726 5.804 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 380 11.163 7.000 -4.612 1.00 0.00 H new ATOM 81 N LYS A 381 8.197 6.139 -2.835 1.00 0.00 N ATOM 82 CA LYS A 381 7.494 4.905 -2.505 1.00 0.00 C ATOM 83 C LYS A 381 7.156 4.117 -3.767 1.00 0.00 C ATOM 84 O LYS A 381 6.007 4.062 -4.204 1.00 0.00 O ATOM 85 CB LYS A 381 6.213 5.216 -1.727 1.00 0.00 C ATOM 86 CG LYS A 381 5.785 4.101 -0.789 1.00 0.00 C ATOM 87 CD LYS A 381 6.405 4.263 0.589 1.00 0.00 C ATOM 88 CE LYS A 381 5.512 5.083 1.509 1.00 0.00 C ATOM 89 NZ LYS A 381 6.078 5.187 2.882 1.00 0.00 N ATOM 0 H LYS A 381 7.863 6.600 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 381 8.151 4.297 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 381 6.361 6.128 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 381 5.407 5.414 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 381 4.699 4.095 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 381 6.077 3.139 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.578 3.281 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 381 7.377 4.747 0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.382 6.082 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.523 4.627 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.703 6.037 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.813 4.345 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 7.114 5.252 2.826 1.00 0.00 H new ATOM 103 N PRO A 382 8.180 3.492 -4.366 1.00 0.00 N ATOM 104 CA PRO A 382 8.016 2.694 -5.585 1.00 0.00 C ATOM 105 C PRO A 382 7.246 1.402 -5.332 1.00 0.00 C ATOM 106 O PRO A 382 6.771 0.758 -6.268 1.00 0.00 O ATOM 107 CB PRO A 382 9.456 2.386 -6.004 1.00 0.00 C ATOM 108 CG PRO A 382 10.242 2.460 -4.740 1.00 0.00 C ATOM 109 CD PRO A 382 9.577 3.515 -3.900 1.00 0.00 C ATOM 0 HA PRO A 382 7.441 3.223 -6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.533 1.399 -6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 382 9.818 3.106 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.247 1.498 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.281 2.719 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.650 3.287 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.034 4.493 -4.048 1.00 0.00 H new ATOM 117 N TYR A 383 7.127 1.028 -4.063 1.00 0.00 N ATOM 118 CA TYR A 383 6.417 -0.189 -3.688 1.00 0.00 C ATOM 119 C TYR A 383 5.019 0.135 -3.170 1.00 0.00 C ATOM 120 O TYR A 383 4.771 0.114 -1.964 1.00 0.00 O ATOM 121 CB TYR A 383 7.203 -0.956 -2.624 1.00 0.00 C ATOM 122 CG TYR A 383 8.658 -1.164 -2.979 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.034 -1.534 -4.264 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.656 -0.991 -2.028 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.362 -1.726 -4.592 1.00 0.00 C ATOM 126 CE2 TYR A 383 10.987 -1.180 -2.348 1.00 0.00 C ATOM 127 CZ TYR A 383 11.335 -1.548 -3.631 1.00 0.00 C ATOM 128 OH TYR A 383 12.659 -1.737 -3.954 1.00 0.00 O ATOM 0 H TYR A 383 7.513 1.550 -3.277 1.00 0.00 H new ATOM 0 HA TYR A 383 6.320 -0.812 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 383 7.142 -0.416 -1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.734 -1.927 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.275 -1.674 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.387 -0.704 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.637 -2.014 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.751 -1.040 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 383 13.215 -1.571 -3.165 1.00 0.00 H new ATOM 138 N SER A 384 4.108 0.433 -4.091 1.00 0.00 N ATOM 139 CA SER A 384 2.735 0.764 -3.728 1.00 0.00 C ATOM 140 C SER A 384 1.747 -0.152 -4.446 1.00 0.00 C ATOM 141 O SER A 384 2.132 -0.949 -5.302 1.00 0.00 O ATOM 142 CB SER A 384 2.433 2.225 -4.069 1.00 0.00 C ATOM 143 OG SER A 384 2.725 2.502 -5.427 1.00 0.00 O ATOM 0 H SER A 384 4.296 0.452 -5.093 1.00 0.00 H new ATOM 0 HA SER A 384 2.624 0.618 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 384 1.383 2.439 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 384 3.020 2.881 -3.426 1.00 0.00 H new ATOM 0 HG SER A 384 2.522 3.441 -5.620 1.00 0.00 H new ATOM 149 N CYS A 385 0.473 -0.031 -4.090 1.00 0.00 N ATOM 150 CA CYS A 385 -0.571 -0.847 -4.698 1.00 0.00 C ATOM 151 C CYS A 385 -1.520 0.013 -5.527 1.00 0.00 C ATOM 152 O CYS A 385 -2.645 0.309 -5.122 1.00 0.00 O ATOM 153 CB CYS A 385 -1.356 -1.596 -3.619 1.00 0.00 C ATOM 154 SG CYS A 385 -2.481 -2.873 -4.268 1.00 0.00 S ATOM 0 H CYS A 385 0.138 0.624 -3.384 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.093 -1.570 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.651 -2.064 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.936 -0.876 -3.041 1.00 0.00 H new ATOM 159 N PRO A 386 -1.059 0.424 -6.718 1.00 0.00 N ATOM 160 CA PRO A 386 -1.850 1.255 -7.630 1.00 0.00 C ATOM 161 C PRO A 386 -3.023 0.494 -8.238 1.00 0.00 C ATOM 162 O PRO A 386 -3.879 1.079 -8.901 1.00 0.00 O ATOM 163 CB PRO A 386 -0.845 1.646 -8.716 1.00 0.00 C ATOM 164 CG PRO A 386 0.175 0.560 -8.696 1.00 0.00 C ATOM 165 CD PRO A 386 0.271 0.109 -7.265 1.00 0.00 C ATOM 0 HA PRO A 386 -2.299 2.107 -7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.325 1.720 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.394 2.616 -8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.119 -0.264 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.138 0.922 -9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.493 -0.956 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.061 0.636 -6.730 1.00 0.00 H new ATOM 173 N VAL A 387 -3.056 -0.815 -8.007 1.00 0.00 N ATOM 174 CA VAL A 387 -4.125 -1.657 -8.531 1.00 0.00 C ATOM 175 C VAL A 387 -5.462 -1.313 -7.884 1.00 0.00 C ATOM 176 O VAL A 387 -6.483 -1.203 -8.564 1.00 0.00 O ATOM 177 CB VAL A 387 -3.826 -3.150 -8.304 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.967 -4.009 -8.829 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.510 -3.536 -8.962 1.00 0.00 C ATOM 0 H VAL A 387 -2.355 -1.315 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.183 -1.465 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.735 -3.326 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.738 -5.061 -8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.888 -3.750 -8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -5.094 -3.832 -9.897 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.315 -4.595 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.570 -3.346 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.701 -2.944 -8.533 1.00 0.00 H new ATOM 189 N CYS A 388 -5.450 -1.144 -6.566 1.00 0.00 N ATOM 190 CA CYS A 388 -6.661 -0.813 -5.826 1.00 0.00 C ATOM 191 C CYS A 388 -6.540 0.561 -5.172 1.00 0.00 C ATOM 192 O CYS A 388 -7.541 1.225 -4.909 1.00 0.00 O ATOM 193 CB CYS A 388 -6.939 -1.875 -4.760 1.00 0.00 C ATOM 194 SG CYS A 388 -5.795 -1.822 -3.342 1.00 0.00 S ATOM 0 H CYS A 388 -4.614 -1.231 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.492 -0.789 -6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.959 -1.751 -4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.884 -2.861 -5.221 1.00 0.00 H new ATOM 199 N GLY A 389 -5.305 0.980 -4.913 1.00 0.00 N ATOM 200 CA GLY A 389 -5.075 2.272 -4.292 1.00 0.00 C ATOM 201 C GLY A 389 -4.648 2.151 -2.843 1.00 0.00 C ATOM 202 O GLY A 389 -5.449 2.364 -1.932 1.00 0.00 O ATOM 0 H GLY A 389 -4.460 0.448 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.308 2.808 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.986 2.867 -4.351 1.00 0.00 H new ATOM 206 N LEU A 390 -3.383 1.806 -2.627 1.00 0.00 N ATOM 207 CA LEU A 390 -2.851 1.655 -1.277 1.00 0.00 C ATOM 208 C LEU A 390 -1.329 1.559 -1.299 1.00 0.00 C ATOM 209 O LEU A 390 -0.768 0.538 -1.697 1.00 0.00 O ATOM 210 CB LEU A 390 -3.442 0.412 -0.610 1.00 0.00 C ATOM 211 CG LEU A 390 -3.371 0.370 0.916 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.329 1.383 1.524 1.00 0.00 C ATOM 213 CD2 LEU A 390 -3.677 -1.030 1.427 1.00 0.00 C ATOM 0 H LEU A 390 -2.707 1.626 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.133 2.537 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.487 0.327 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -2.927 -0.465 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 390 -2.357 0.632 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.264 1.338 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -4.063 2.384 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -5.348 1.153 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -3.622 -1.040 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -4.679 -1.321 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -2.950 -1.733 1.020 1.00 0.00 H new ATOM 225 N ARG A 391 -0.667 2.628 -0.868 1.00 0.00 N ATOM 226 CA ARG A 391 0.790 2.663 -0.838 1.00 0.00 C ATOM 227 C ARG A 391 1.336 1.694 0.206 1.00 0.00 C ATOM 228 O ARG A 391 0.601 1.219 1.072 1.00 0.00 O ATOM 229 CB ARG A 391 1.281 4.081 -0.539 1.00 0.00 C ATOM 230 CG ARG A 391 1.179 5.024 -1.726 1.00 0.00 C ATOM 231 CD ARG A 391 2.077 6.239 -1.551 1.00 0.00 C ATOM 232 NE ARG A 391 1.573 7.402 -2.277 1.00 0.00 N ATOM 233 CZ ARG A 391 2.317 8.460 -2.577 1.00 0.00 C ATOM 234 NH1 ARG A 391 3.592 8.502 -2.215 1.00 0.00 N ATOM 235 NH2 ARG A 391 1.786 9.480 -3.240 1.00 0.00 N ATOM 0 H ARG A 391 -1.117 3.481 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 391 1.156 2.358 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.702 4.490 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.319 4.035 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 391 1.455 4.494 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.145 5.348 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 391 2.158 6.480 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 391 3.081 6.001 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 391 0.596 7.401 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 391 4.003 7.720 -1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 391 4.161 9.316 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 391 0.805 9.452 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 391 2.358 10.292 -3.470 1.00 0.00 H new ATOM 249 N PHE A 392 2.630 1.403 0.117 1.00 0.00 N ATOM 250 CA PHE A 392 3.274 0.489 1.052 1.00 0.00 C ATOM 251 C PHE A 392 4.758 0.812 1.194 1.00 0.00 C ATOM 252 O PHE A 392 5.351 1.454 0.327 1.00 0.00 O ATOM 253 CB PHE A 392 3.098 -0.958 0.587 1.00 0.00 C ATOM 254 CG PHE A 392 1.716 -1.499 0.822 1.00 0.00 C ATOM 255 CD1 PHE A 392 1.390 -2.104 2.025 1.00 0.00 C ATOM 256 CD2 PHE A 392 0.744 -1.402 -0.160 1.00 0.00 C ATOM 257 CE1 PHE A 392 0.120 -2.603 2.243 1.00 0.00 C ATOM 258 CE2 PHE A 392 -0.528 -1.899 0.052 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.841 -2.500 1.256 1.00 0.00 C ATOM 0 H PHE A 392 3.253 1.787 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 392 2.799 0.611 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.328 -1.020 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 392 3.820 -1.589 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 392 2.137 -2.187 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 392 0.983 -0.932 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -0.121 -3.073 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 392 -1.276 -1.818 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.834 -2.888 1.425 1.00 0.00 H new ATOM 269 N LYS A 393 5.353 0.363 2.294 1.00 0.00 N ATOM 270 CA LYS A 393 6.768 0.603 2.551 1.00 0.00 C ATOM 271 C LYS A 393 7.545 -0.709 2.587 1.00 0.00 C ATOM 272 O LYS A 393 8.715 -0.759 2.209 1.00 0.00 O ATOM 273 CB LYS A 393 6.948 1.350 3.875 1.00 0.00 C ATOM 274 CG LYS A 393 6.079 0.813 4.999 1.00 0.00 C ATOM 275 CD LYS A 393 6.850 0.725 6.305 1.00 0.00 C ATOM 276 CE LYS A 393 5.958 1.030 7.500 1.00 0.00 C ATOM 277 NZ LYS A 393 5.753 2.494 7.680 1.00 0.00 N ATOM 0 H LYS A 393 4.877 -0.169 3.022 1.00 0.00 H new ATOM 0 HA LYS A 393 7.160 1.215 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 393 7.994 1.292 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 393 6.719 2.405 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 393 5.211 1.460 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 393 5.703 -0.174 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 393 7.275 -0.273 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 393 7.685 1.426 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 393 4.993 0.542 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 393 6.404 0.612 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 5.140 2.660 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 6.672 2.957 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 5.304 2.889 6.829 1.00 0.00 H new ATOM 291 N ARG A 394 6.885 -1.770 3.042 1.00 0.00 N ATOM 292 CA ARG A 394 7.514 -3.082 3.126 1.00 0.00 C ATOM 293 C ARG A 394 7.484 -3.787 1.773 1.00 0.00 C ATOM 294 O ARG A 394 6.426 -4.208 1.303 1.00 0.00 O ATOM 295 CB ARG A 394 6.810 -3.942 4.177 1.00 0.00 C ATOM 296 CG ARG A 394 7.237 -3.633 5.603 1.00 0.00 C ATOM 297 CD ARG A 394 6.215 -2.758 6.313 1.00 0.00 C ATOM 298 NE ARG A 394 4.900 -3.390 6.371 1.00 0.00 N ATOM 299 CZ ARG A 394 3.933 -3.002 7.195 1.00 0.00 C ATOM 300 NH1 ARG A 394 4.135 -1.989 8.027 1.00 0.00 N ATOM 301 NH2 ARG A 394 2.763 -3.626 7.189 1.00 0.00 N ATOM 0 H ARG A 394 5.915 -1.746 3.358 1.00 0.00 H new ATOM 0 HA ARG A 394 8.554 -2.940 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 394 5.733 -3.798 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.009 -4.993 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.367 -4.564 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 394 8.204 -3.130 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 394 6.560 -2.546 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 394 6.135 -1.802 5.796 1.00 0.00 H new ATOM 0 HE ARG A 394 4.714 -4.173 5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 394 5.034 -1.507 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 394 3.392 -1.692 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 394 2.604 -4.406 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 394 2.022 -3.326 7.823 1.00 0.00 H new ATOM 315 N LYS A 395 8.651 -3.913 1.151 1.00 0.00 N ATOM 316 CA LYS A 395 8.761 -4.568 -0.147 1.00 0.00 C ATOM 317 C LYS A 395 8.278 -6.013 -0.070 1.00 0.00 C ATOM 318 O LYS A 395 7.849 -6.587 -1.071 1.00 0.00 O ATOM 319 CB LYS A 395 10.209 -4.529 -0.641 1.00 0.00 C ATOM 320 CG LYS A 395 10.346 -4.737 -2.139 1.00 0.00 C ATOM 321 CD LYS A 395 11.800 -4.677 -2.579 1.00 0.00 C ATOM 322 CE LYS A 395 12.527 -5.978 -2.277 1.00 0.00 C ATOM 323 NZ LYS A 395 13.070 -6.001 -0.890 1.00 0.00 N ATOM 0 H LYS A 395 9.535 -3.570 1.525 1.00 0.00 H new ATOM 0 HA LYS A 395 8.129 -4.029 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.649 -3.568 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.782 -5.297 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.921 -5.702 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.773 -3.975 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 395 11.850 -4.471 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 395 12.301 -3.853 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 395 11.844 -6.816 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 395 13.342 -6.112 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 14.039 -6.378 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 13.080 -5.035 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 12.471 -6.606 -0.293 1.00 0.00 H new ATOM 337 N ASP A 396 8.349 -6.593 1.122 1.00 0.00 N ATOM 338 CA ASP A 396 7.916 -7.970 1.330 1.00 0.00 C ATOM 339 C ASP A 396 6.413 -8.035 1.583 1.00 0.00 C ATOM 340 O ASP A 396 5.723 -8.912 1.062 1.00 0.00 O ATOM 341 CB ASP A 396 8.671 -8.593 2.505 1.00 0.00 C ATOM 342 CG ASP A 396 8.791 -10.099 2.383 1.00 0.00 C ATOM 343 OD1 ASP A 396 8.183 -10.670 1.453 1.00 0.00 O ATOM 344 OD2 ASP A 396 9.493 -10.708 3.217 1.00 0.00 O ATOM 0 H ASP A 396 8.702 -6.131 1.960 1.00 0.00 H new ATOM 0 HA ASP A 396 8.139 -8.535 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 396 9.668 -8.156 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.158 -8.346 3.435 1.00 0.00 H new ATOM 349 N ARG A 397 5.912 -7.102 2.386 1.00 0.00 N ATOM 350 CA ARG A 397 4.491 -7.055 2.710 1.00 0.00 C ATOM 351 C ARG A 397 3.667 -6.670 1.485 1.00 0.00 C ATOM 352 O ARG A 397 2.655 -7.302 1.183 1.00 0.00 O ATOM 353 CB ARG A 397 4.238 -6.059 3.842 1.00 0.00 C ATOM 354 CG ARG A 397 3.059 -6.429 4.727 1.00 0.00 C ATOM 355 CD ARG A 397 1.756 -5.859 4.188 1.00 0.00 C ATOM 356 NE ARG A 397 0.600 -6.313 4.956 1.00 0.00 N ATOM 357 CZ ARG A 397 -0.658 -6.099 4.587 1.00 0.00 C ATOM 358 NH1 ARG A 397 -0.920 -5.441 3.467 1.00 0.00 N ATOM 359 NH2 ARG A 397 -1.656 -6.544 5.339 1.00 0.00 N ATOM 0 H ARG A 397 6.469 -6.368 2.824 1.00 0.00 H new ATOM 0 HA ARG A 397 4.184 -8.049 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 397 5.135 -5.986 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 397 4.064 -5.072 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 397 2.981 -7.514 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 397 3.230 -6.056 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 397 1.800 -4.770 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 397 1.636 -6.152 3.145 1.00 0.00 H new ATOM 0 HE ARG A 397 0.768 -6.823 5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -0.155 -5.098 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -1.887 -5.278 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -1.458 -7.051 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -2.622 -6.379 5.055 1.00 0.00 H new ATOM 373 N MET A 398 4.108 -5.631 0.784 1.00 0.00 N ATOM 374 CA MET A 398 3.411 -5.162 -0.408 1.00 0.00 C ATOM 375 C MET A 398 3.254 -6.289 -1.424 1.00 0.00 C ATOM 376 O MET A 398 2.296 -6.313 -2.197 1.00 0.00 O ATOM 377 CB MET A 398 4.167 -3.992 -1.040 1.00 0.00 C ATOM 378 CG MET A 398 5.582 -4.342 -1.468 1.00 0.00 C ATOM 379 SD MET A 398 5.677 -4.868 -3.190 1.00 0.00 S ATOM 380 CE MET A 398 7.388 -4.493 -3.565 1.00 0.00 C ATOM 0 H MET A 398 4.945 -5.098 1.021 1.00 0.00 H new ATOM 0 HA MET A 398 2.419 -4.825 -0.109 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.611 -3.638 -1.908 1.00 0.00 H new ATOM 0 HB3 MET A 398 4.205 -3.168 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.227 -3.476 -1.321 1.00 0.00 H new ATOM 0 HG3 MET A 398 5.965 -5.137 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.451 -4.027 -4.548 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.784 -3.810 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.971 -5.414 -3.561 1.00 0.00 H new ATOM 390 N SER A 399 4.202 -7.222 -1.418 1.00 0.00 N ATOM 391 CA SER A 399 4.171 -8.349 -2.342 1.00 0.00 C ATOM 392 C SER A 399 3.053 -9.321 -1.976 1.00 0.00 C ATOM 393 O SER A 399 2.567 -10.073 -2.821 1.00 0.00 O ATOM 394 CB SER A 399 5.517 -9.077 -2.337 1.00 0.00 C ATOM 395 OG SER A 399 5.561 -10.060 -1.317 1.00 0.00 O ATOM 0 H SER A 399 5.000 -7.219 -0.783 1.00 0.00 H new ATOM 0 HA SER A 399 3.979 -7.962 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 399 5.684 -9.547 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 399 6.323 -8.358 -2.188 1.00 0.00 H new ATOM 0 HG SER A 399 5.828 -9.642 -0.472 1.00 0.00 H new ATOM 401 N TYR A 400 2.650 -9.300 -0.710 1.00 0.00 N ATOM 402 CA TYR A 400 1.592 -10.180 -0.230 1.00 0.00 C ATOM 403 C TYR A 400 0.219 -9.551 -0.450 1.00 0.00 C ATOM 404 O TYR A 400 -0.787 -10.253 -0.562 1.00 0.00 O ATOM 405 CB TYR A 400 1.791 -10.490 1.255 1.00 0.00 C ATOM 406 CG TYR A 400 1.111 -11.763 1.704 1.00 0.00 C ATOM 407 CD1 TYR A 400 -0.196 -11.747 2.175 1.00 0.00 C ATOM 408 CD2 TYR A 400 1.776 -12.982 1.658 1.00 0.00 C ATOM 409 CE1 TYR A 400 -0.821 -12.908 2.587 1.00 0.00 C ATOM 410 CE2 TYR A 400 1.158 -14.148 2.067 1.00 0.00 C ATOM 411 CZ TYR A 400 -0.140 -14.106 2.531 1.00 0.00 C ATOM 412 OH TYR A 400 -0.760 -15.264 2.940 1.00 0.00 O ATOM 0 H TYR A 400 3.040 -8.683 0.002 1.00 0.00 H new ATOM 0 HA TYR A 400 1.642 -11.109 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.859 -10.566 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 400 1.410 -9.657 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 400 -0.733 -10.811 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 400 2.793 -13.019 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 400 -1.837 -12.878 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 400 1.689 -15.088 2.024 1.00 0.00 H new ATOM 0 HH TYR A 400 -0.144 -16.019 2.836 1.00 0.00 H new ATOM 422 N HIS A 401 0.186 -8.224 -0.511 1.00 0.00 N ATOM 423 CA HIS A 401 -1.062 -7.499 -0.719 1.00 0.00 C ATOM 424 C HIS A 401 -1.312 -7.261 -2.205 1.00 0.00 C ATOM 425 O HIS A 401 -2.349 -7.652 -2.742 1.00 0.00 O ATOM 426 CB HIS A 401 -1.031 -6.163 0.025 1.00 0.00 C ATOM 427 CG HIS A 401 -2.195 -5.275 -0.290 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.419 -5.389 0.336 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.317 -4.253 -1.168 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.243 -4.476 -0.146 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.599 -3.773 -1.060 1.00 0.00 N ATOM 0 H HIS A 401 1.009 -7.629 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.876 -8.107 -0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -1.010 -6.354 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.108 -5.640 -0.223 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.651 -6.071 1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.549 -3.883 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.269 -4.329 0.156 1.00 0.00 H new ATOM 439 N VAL A 402 -0.354 -6.617 -2.866 1.00 0.00 N ATOM 440 CA VAL A 402 -0.470 -6.328 -4.290 1.00 0.00 C ATOM 441 C VAL A 402 -0.809 -7.586 -5.081 1.00 0.00 C ATOM 442 O VAL A 402 -1.619 -7.550 -6.007 1.00 0.00 O ATOM 443 CB VAL A 402 0.831 -5.720 -4.846 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.705 -5.464 -6.341 1.00 0.00 C ATOM 445 CG2 VAL A 402 1.179 -4.438 -4.105 1.00 0.00 C ATOM 0 H VAL A 402 0.510 -6.286 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.278 -5.605 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 402 1.640 -6.434 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.634 -5.034 -6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.506 -6.404 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.115 -4.770 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.101 -4.022 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.371 -3.717 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.315 -4.655 -3.046 1.00 0.00 H new ATOM 455 N ARG A 403 -0.185 -8.699 -4.708 1.00 0.00 N ATOM 456 CA ARG A 403 -0.420 -9.969 -5.383 1.00 0.00 C ATOM 457 C ARG A 403 -1.816 -10.499 -5.074 1.00 0.00 C ATOM 458 O ARG A 403 -2.415 -11.209 -5.881 1.00 0.00 O ATOM 459 CB ARG A 403 0.632 -10.997 -4.962 1.00 0.00 C ATOM 460 CG ARG A 403 2.000 -10.757 -5.581 1.00 0.00 C ATOM 461 CD ARG A 403 1.995 -11.049 -7.073 1.00 0.00 C ATOM 462 NE ARG A 403 1.814 -12.471 -7.352 1.00 0.00 N ATOM 463 CZ ARG A 403 1.788 -12.982 -8.578 1.00 0.00 C ATOM 464 NH1 ARG A 403 1.932 -12.191 -9.633 1.00 0.00 N ATOM 465 NH2 ARG A 403 1.619 -14.287 -8.751 1.00 0.00 N ATOM 0 H ARG A 403 0.487 -8.746 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.344 -9.800 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.726 -10.984 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 403 0.286 -11.993 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 403 2.300 -9.723 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.739 -11.388 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 403 1.196 -10.481 -7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.933 -10.710 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 403 1.701 -13.107 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 403 2.063 -11.188 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 403 1.912 -12.586 -10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 403 1.509 -14.899 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 403 1.599 -14.678 -9.693 1.00 0.00 H new ATOM 479 N SER A 404 -2.329 -10.150 -3.898 1.00 0.00 N ATOM 480 CA SER A 404 -3.654 -10.594 -3.479 1.00 0.00 C ATOM 481 C SER A 404 -4.696 -10.274 -4.546 1.00 0.00 C ATOM 482 O SER A 404 -5.695 -10.981 -4.686 1.00 0.00 O ATOM 483 CB SER A 404 -4.042 -9.931 -2.156 1.00 0.00 C ATOM 484 OG SER A 404 -4.975 -10.725 -1.443 1.00 0.00 O ATOM 0 H SER A 404 -1.847 -9.561 -3.219 1.00 0.00 H new ATOM 0 HA SER A 404 -3.621 -11.675 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.151 -9.777 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 404 -4.470 -8.947 -2.350 1.00 0.00 H new ATOM 0 HG SER A 404 -5.206 -10.281 -0.601 1.00 0.00 H new ATOM 490 N HIS A 405 -4.456 -9.205 -5.298 1.00 0.00 N ATOM 491 CA HIS A 405 -5.373 -8.790 -6.354 1.00 0.00 C ATOM 492 C HIS A 405 -5.209 -9.667 -7.591 1.00 0.00 C ATOM 493 O HIS A 405 -6.117 -10.411 -7.962 1.00 0.00 O ATOM 494 CB HIS A 405 -5.137 -7.324 -6.718 1.00 0.00 C ATOM 495 CG HIS A 405 -5.274 -6.389 -5.556 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.491 -6.049 -5.003 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.338 -5.722 -4.841 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.297 -5.212 -4.000 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.999 -4.998 -3.880 1.00 0.00 N ATOM 0 H HIS A 405 -3.634 -8.610 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.391 -8.904 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.138 -7.220 -7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.845 -7.032 -7.494 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.399 -6.391 -5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.270 -5.754 -4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -7.069 -4.776 -3.383 1.00 0.00 H new ATOM 507 N ASP A 406 -4.045 -9.574 -8.226 1.00 0.00 N ATOM 508 CA ASP A 406 -3.762 -10.359 -9.422 1.00 0.00 C ATOM 509 C ASP A 406 -3.459 -11.810 -9.060 1.00 0.00 C ATOM 510 O ASP A 406 -2.406 -12.114 -8.502 1.00 0.00 O ATOM 511 CB ASP A 406 -2.583 -9.754 -10.187 1.00 0.00 C ATOM 512 CG ASP A 406 -2.623 -10.084 -11.666 1.00 0.00 C ATOM 513 OD1 ASP A 406 -3.726 -10.052 -12.251 1.00 0.00 O ATOM 514 OD2 ASP A 406 -1.552 -10.375 -12.239 1.00 0.00 O ATOM 0 H ASP A 406 -3.283 -8.963 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.647 -10.339 -10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.587 -8.672 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.650 -10.122 -9.761 1.00 0.00 H new ATOM 519 N GLY A 407 -4.391 -12.702 -9.382 1.00 0.00 N ATOM 520 CA GLY A 407 -4.205 -14.110 -9.082 1.00 0.00 C ATOM 521 C GLY A 407 -4.586 -15.005 -10.245 1.00 0.00 C ATOM 522 O GLY A 407 -3.885 -15.969 -10.550 1.00 0.00 O ATOM 0 H GLY A 407 -5.271 -12.475 -9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -3.163 -14.287 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -4.805 -14.375 -8.211 1.00 0.00 H new ATOM 526 N SER A 408 -5.701 -14.687 -10.894 1.00 0.00 N ATOM 527 CA SER A 408 -6.177 -15.473 -12.026 1.00 0.00 C ATOM 528 C SER A 408 -5.135 -15.508 -13.140 1.00 0.00 C ATOM 529 O SER A 408 -4.438 -14.523 -13.385 1.00 0.00 O ATOM 530 CB SER A 408 -7.490 -14.896 -12.559 1.00 0.00 C ATOM 531 OG SER A 408 -7.250 -13.824 -13.454 1.00 0.00 O ATOM 0 H SER A 408 -6.292 -13.890 -10.655 1.00 0.00 H new ATOM 0 HA SER A 408 -6.350 -16.493 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 408 -8.055 -15.678 -13.066 1.00 0.00 H new ATOM 0 HB3 SER A 408 -8.103 -14.549 -11.727 1.00 0.00 H new ATOM 0 HG SER A 408 -8.105 -13.474 -13.782 1.00 0.00 H new ATOM 537 N VAL A 409 -5.035 -16.650 -13.812 1.00 0.00 N ATOM 538 CA VAL A 409 -4.079 -16.815 -14.901 1.00 0.00 C ATOM 539 C VAL A 409 -4.380 -15.855 -16.047 1.00 0.00 C ATOM 540 O VAL A 409 -5.539 -15.617 -16.382 1.00 0.00 O ATOM 541 CB VAL A 409 -4.085 -18.258 -15.440 1.00 0.00 C ATOM 542 CG1 VAL A 409 -5.458 -18.617 -15.988 1.00 0.00 C ATOM 543 CG2 VAL A 409 -3.014 -18.433 -16.506 1.00 0.00 C ATOM 0 H VAL A 409 -5.604 -17.475 -13.622 1.00 0.00 H new ATOM 0 HA VAL A 409 -3.093 -16.592 -14.493 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.860 -18.936 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -5.443 -19.640 -16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -6.200 -18.533 -15.194 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -5.716 -17.936 -16.799 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.033 -19.458 -16.876 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -3.206 -17.746 -17.331 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.035 -18.220 -16.077 1.00 0.00 H new ATOM 553 N GLY A 410 -3.327 -15.306 -16.644 1.00 0.00 N ATOM 554 CA GLY A 410 -3.499 -14.378 -17.747 1.00 0.00 C ATOM 555 C GLY A 410 -2.209 -14.129 -18.502 1.00 0.00 C ATOM 556 O GLY A 410 -2.131 -14.367 -19.708 1.00 0.00 O ATOM 0 H GLY A 410 -2.358 -15.487 -16.384 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -4.249 -14.770 -18.434 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -3.881 -13.431 -17.365 1.00 0.00 H new ATOM 560 N LYS A 411 -1.194 -13.647 -17.794 1.00 0.00 N ATOM 561 CA LYS A 411 0.100 -13.365 -18.404 1.00 0.00 C ATOM 562 C LYS A 411 -0.043 -12.359 -19.541 1.00 0.00 C ATOM 563 O LYS A 411 0.635 -12.463 -20.563 1.00 0.00 O ATOM 564 CB LYS A 411 0.732 -14.657 -18.928 1.00 0.00 C ATOM 565 CG LYS A 411 2.250 -14.612 -18.985 1.00 0.00 C ATOM 566 CD LYS A 411 2.830 -15.938 -19.446 1.00 0.00 C ATOM 567 CE LYS A 411 4.349 -15.938 -19.371 1.00 0.00 C ATOM 568 NZ LYS A 411 4.964 -15.344 -20.591 1.00 0.00 N ATOM 0 H LYS A 411 -1.242 -13.443 -16.796 1.00 0.00 H new ATOM 0 HA LYS A 411 0.748 -12.934 -17.641 1.00 0.00 H new ATOM 0 HB2 LYS A 411 0.425 -15.486 -18.291 1.00 0.00 H new ATOM 0 HB3 LYS A 411 0.345 -14.862 -19.926 1.00 0.00 H new ATOM 0 HG2 LYS A 411 2.566 -13.820 -19.664 1.00 0.00 H new ATOM 0 HG3 LYS A 411 2.645 -14.364 -18.000 1.00 0.00 H new ATOM 0 HD2 LYS A 411 2.434 -16.744 -18.828 1.00 0.00 H new ATOM 0 HD3 LYS A 411 2.515 -16.138 -20.470 1.00 0.00 H new ATOM 0 HE2 LYS A 411 4.669 -15.377 -18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 411 4.707 -16.960 -19.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.000 -15.362 -20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 4.679 -15.894 -21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 4.643 -14.361 -20.698 1.00 0.00 H new ATOM 582 N SER A 412 -0.928 -11.385 -19.356 1.00 0.00 N ATOM 583 CA SER A 412 -1.161 -10.361 -20.368 1.00 0.00 C ATOM 584 C SER A 412 -0.682 -8.997 -19.880 1.00 0.00 C ATOM 585 O SER A 412 -1.286 -8.394 -18.994 1.00 0.00 O ATOM 586 CB SER A 412 -2.647 -10.295 -20.724 1.00 0.00 C ATOM 587 OG SER A 412 -3.453 -10.344 -19.559 1.00 0.00 O ATOM 0 H SER A 412 -1.496 -11.283 -18.515 1.00 0.00 H new ATOM 0 HA SER A 412 -0.593 -10.629 -21.259 1.00 0.00 H new ATOM 0 HB2 SER A 412 -2.852 -9.376 -21.274 1.00 0.00 H new ATOM 0 HB3 SER A 412 -2.904 -11.125 -21.383 1.00 0.00 H new ATOM 0 HG SER A 412 -3.099 -9.722 -18.890 1.00 0.00 H new ATOM 593 N GLY A 413 0.410 -8.515 -20.467 1.00 0.00 N ATOM 594 CA GLY A 413 0.953 -7.226 -20.081 1.00 0.00 C ATOM 595 C GLY A 413 2.467 -7.230 -20.018 1.00 0.00 C ATOM 596 O GLY A 413 3.146 -6.642 -20.860 1.00 0.00 O ATOM 0 H GLY A 413 0.928 -8.995 -21.203 1.00 0.00 H new ATOM 0 HA2 GLY A 413 0.624 -6.469 -20.793 1.00 0.00 H new ATOM 0 HA3 GLY A 413 0.553 -6.943 -19.107 1.00 0.00 H new ATOM 600 N PRO A 414 3.020 -7.906 -19.000 1.00 0.00 N ATOM 601 CA PRO A 414 4.470 -7.999 -18.805 1.00 0.00 C ATOM 602 C PRO A 414 5.143 -8.859 -19.869 1.00 0.00 C ATOM 603 O PRO A 414 4.587 -9.864 -20.311 1.00 0.00 O ATOM 604 CB PRO A 414 4.601 -8.652 -17.427 1.00 0.00 C ATOM 605 CG PRO A 414 3.337 -9.419 -17.249 1.00 0.00 C ATOM 606 CD PRO A 414 2.271 -8.631 -17.959 1.00 0.00 C ATOM 0 HA PRO A 414 4.955 -7.026 -18.878 1.00 0.00 H new ATOM 0 HB2 PRO A 414 5.471 -9.307 -17.380 1.00 0.00 H new ATOM 0 HB3 PRO A 414 4.723 -7.903 -16.644 1.00 0.00 H new ATOM 0 HG2 PRO A 414 3.426 -10.421 -17.669 1.00 0.00 H new ATOM 0 HG3 PRO A 414 3.097 -9.536 -16.192 1.00 0.00 H new ATOM 0 HD2 PRO A 414 1.510 -9.282 -18.391 1.00 0.00 H new ATOM 0 HD3 PRO A 414 1.759 -7.947 -17.282 1.00 0.00 H new ATOM 614 N SER A 415 6.343 -8.458 -20.276 1.00 0.00 N ATOM 615 CA SER A 415 7.091 -9.191 -21.291 1.00 0.00 C ATOM 616 C SER A 415 8.188 -10.037 -20.652 1.00 0.00 C ATOM 617 O SER A 415 9.375 -9.830 -20.907 1.00 0.00 O ATOM 618 CB SER A 415 7.703 -8.221 -22.303 1.00 0.00 C ATOM 619 OG SER A 415 6.696 -7.491 -22.983 1.00 0.00 O ATOM 0 H SER A 415 6.818 -7.629 -19.918 1.00 0.00 H new ATOM 0 HA SER A 415 6.399 -9.856 -21.808 1.00 0.00 H new ATOM 0 HB2 SER A 415 8.374 -7.531 -21.791 1.00 0.00 H new ATOM 0 HB3 SER A 415 8.305 -8.774 -23.024 1.00 0.00 H new ATOM 0 HG SER A 415 7.113 -6.877 -23.623 1.00 0.00 H new ATOM 625 N SER A 416 7.783 -10.990 -19.819 1.00 0.00 N ATOM 626 CA SER A 416 8.731 -11.866 -19.140 1.00 0.00 C ATOM 627 C SER A 416 8.033 -13.113 -18.606 1.00 0.00 C ATOM 628 O SER A 416 6.807 -13.211 -18.633 1.00 0.00 O ATOM 629 CB SER A 416 9.414 -11.120 -17.992 1.00 0.00 C ATOM 630 OG SER A 416 8.463 -10.462 -17.174 1.00 0.00 O ATOM 0 H SER A 416 6.805 -11.175 -19.598 1.00 0.00 H new ATOM 0 HA SER A 416 9.485 -12.175 -19.864 1.00 0.00 H new ATOM 0 HB2 SER A 416 9.992 -11.822 -17.391 1.00 0.00 H new ATOM 0 HB3 SER A 416 10.118 -10.392 -18.395 1.00 0.00 H new ATOM 0 HG SER A 416 8.925 -9.994 -16.447 1.00 0.00 H new ATOM 636 N GLY A 417 8.824 -14.065 -18.121 1.00 0.00 N ATOM 637 CA GLY A 417 8.265 -15.294 -17.588 1.00 0.00 C ATOM 638 C GLY A 417 9.275 -16.089 -16.786 1.00 0.00 C ATOM 639 O GLY A 417 10.271 -15.519 -16.342 1.00 0.00 O ATOM 0 H GLY A 417 9.842 -14.007 -18.088 1.00 0.00 H new ATOM 0 HA2 GLY A 417 7.409 -15.056 -16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 417 7.894 -15.907 -18.409 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.309 -3.386 -3.003 1.00 0.00 ZN