USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 323 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 475 HIS HE2 : A 475 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 479 HIS HE2 : A 479 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 457 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN : amide:sc= -0.717 K(o=-0.72,f=-7.8!) USER MOD Single : A 446 SER OG : rot 50:sc= 0.105 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 452 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.31) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 HIS : no HD1:sc= 0.0197 K(o=0.02,f=-1.3) USER MOD Single : A 476 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 480 THR OG1 : rot 35:sc= 0.604 USER MOD Single : A 483 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 489 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -18.417 -30.743 -23.885 1.00 0.00 N ATOM 2 CA GLY A 445 -19.115 -29.563 -24.360 1.00 0.00 C ATOM 3 C GLY A 445 -18.486 -28.277 -23.860 1.00 0.00 C ATOM 4 O GLY A 445 -18.273 -28.108 -22.659 1.00 0.00 O ATOM 0 HA2 GLY A 445 -19.120 -29.562 -25.450 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -20.155 -29.605 -24.037 1.00 0.00 H new ATOM 8 N SER A 446 -18.186 -27.369 -24.783 1.00 0.00 N ATOM 9 CA SER A 446 -17.573 -26.094 -24.429 1.00 0.00 C ATOM 10 C SER A 446 -18.636 -25.063 -24.059 1.00 0.00 C ATOM 11 O SER A 446 -19.176 -24.375 -24.925 1.00 0.00 O ATOM 12 CB SER A 446 -16.724 -25.573 -25.591 1.00 0.00 C ATOM 13 OG SER A 446 -17.398 -25.734 -26.827 1.00 0.00 O ATOM 0 H SER A 446 -18.357 -27.492 -25.781 1.00 0.00 H new ATOM 0 HA SER A 446 -16.932 -26.256 -23.562 1.00 0.00 H new ATOM 0 HB2 SER A 446 -16.494 -24.519 -25.433 1.00 0.00 H new ATOM 0 HB3 SER A 446 -15.774 -26.106 -25.619 1.00 0.00 H new ATOM 0 HG SER A 446 -18.305 -25.371 -26.755 1.00 0.00 H new ATOM 19 N SER A 447 -18.930 -24.964 -22.767 1.00 0.00 N ATOM 20 CA SER A 447 -19.930 -24.021 -22.281 1.00 0.00 C ATOM 21 C SER A 447 -19.577 -23.528 -20.881 1.00 0.00 C ATOM 22 O SER A 447 -18.993 -24.258 -20.082 1.00 0.00 O ATOM 23 CB SER A 447 -21.314 -24.674 -22.270 1.00 0.00 C ATOM 24 OG SER A 447 -22.323 -23.724 -21.974 1.00 0.00 O ATOM 0 H SER A 447 -18.490 -25.525 -22.038 1.00 0.00 H new ATOM 0 HA SER A 447 -19.945 -23.165 -22.956 1.00 0.00 H new ATOM 0 HB2 SER A 447 -21.512 -25.130 -23.240 1.00 0.00 H new ATOM 0 HB3 SER A 447 -21.336 -25.475 -21.531 1.00 0.00 H new ATOM 0 HG SER A 447 -23.198 -24.165 -21.975 1.00 0.00 H new ATOM 30 N GLY A 448 -19.936 -22.280 -20.592 1.00 0.00 N ATOM 31 CA GLY A 448 -19.649 -21.709 -19.289 1.00 0.00 C ATOM 32 C GLY A 448 -18.372 -20.893 -19.283 1.00 0.00 C ATOM 33 O GLY A 448 -17.320 -21.370 -19.706 1.00 0.00 O ATOM 0 H GLY A 448 -20.420 -21.655 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -20.482 -21.077 -18.981 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -19.568 -22.510 -18.554 1.00 0.00 H new ATOM 37 N SER A 449 -18.464 -19.657 -18.802 1.00 0.00 N ATOM 38 CA SER A 449 -17.308 -18.770 -18.748 1.00 0.00 C ATOM 39 C SER A 449 -17.363 -17.881 -17.509 1.00 0.00 C ATOM 40 O SER A 449 -18.440 -17.589 -16.988 1.00 0.00 O ATOM 41 CB SER A 449 -17.242 -17.905 -20.008 1.00 0.00 C ATOM 42 OG SER A 449 -16.111 -17.052 -19.982 1.00 0.00 O ATOM 0 H SER A 449 -19.327 -19.247 -18.444 1.00 0.00 H new ATOM 0 HA SER A 449 -16.411 -19.386 -18.692 1.00 0.00 H new ATOM 0 HB2 SER A 449 -17.199 -18.544 -20.890 1.00 0.00 H new ATOM 0 HB3 SER A 449 -18.150 -17.308 -20.091 1.00 0.00 H new ATOM 0 HG SER A 449 -16.091 -16.511 -20.799 1.00 0.00 H new ATOM 48 N SER A 450 -16.195 -17.453 -17.043 1.00 0.00 N ATOM 49 CA SER A 450 -16.108 -16.600 -15.863 1.00 0.00 C ATOM 50 C SER A 450 -15.132 -15.450 -16.094 1.00 0.00 C ATOM 51 O SER A 450 -14.423 -15.415 -17.099 1.00 0.00 O ATOM 52 CB SER A 450 -15.671 -17.418 -14.647 1.00 0.00 C ATOM 53 OG SER A 450 -16.765 -18.123 -14.087 1.00 0.00 O ATOM 0 H SER A 450 -15.295 -17.683 -17.464 1.00 0.00 H new ATOM 0 HA SER A 450 -17.097 -16.182 -15.674 1.00 0.00 H new ATOM 0 HB2 SER A 450 -14.892 -18.122 -14.939 1.00 0.00 H new ATOM 0 HB3 SER A 450 -15.238 -16.757 -13.896 1.00 0.00 H new ATOM 0 HG SER A 450 -16.459 -18.639 -13.312 1.00 0.00 H new ATOM 59 N GLY A 451 -15.101 -14.510 -15.154 1.00 0.00 N ATOM 60 CA GLY A 451 -14.209 -13.371 -15.273 1.00 0.00 C ATOM 61 C GLY A 451 -14.794 -12.111 -14.667 1.00 0.00 C ATOM 62 O GLY A 451 -15.295 -11.243 -15.383 1.00 0.00 O ATOM 0 H GLY A 451 -15.677 -14.517 -14.313 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -13.263 -13.601 -14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -13.988 -13.195 -16.326 1.00 0.00 H new ATOM 66 N THR A 452 -14.734 -12.010 -13.343 1.00 0.00 N ATOM 67 CA THR A 452 -15.264 -10.848 -12.640 1.00 0.00 C ATOM 68 C THR A 452 -14.590 -10.671 -11.284 1.00 0.00 C ATOM 69 O THR A 452 -14.496 -11.613 -10.499 1.00 0.00 O ATOM 70 CB THR A 452 -16.786 -10.963 -12.433 1.00 0.00 C ATOM 71 OG1 THR A 452 -17.431 -11.233 -13.683 1.00 0.00 O ATOM 72 CG2 THR A 452 -17.348 -9.684 -11.831 1.00 0.00 C ATOM 0 H THR A 452 -14.323 -12.719 -12.736 1.00 0.00 H new ATOM 0 HA THR A 452 -15.054 -9.979 -13.263 1.00 0.00 H new ATOM 0 HB THR A 452 -16.976 -11.784 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 452 -18.398 -11.306 -13.543 1.00 0.00 H new ATOM 0 HG21 THR A 452 -18.424 -9.789 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 452 -16.876 -9.498 -10.866 1.00 0.00 H new ATOM 0 HG23 THR A 452 -17.147 -8.848 -12.501 1.00 0.00 H new ATOM 80 N GLY A 453 -14.122 -9.455 -11.015 1.00 0.00 N ATOM 81 CA GLY A 453 -13.464 -9.177 -9.753 1.00 0.00 C ATOM 82 C GLY A 453 -13.561 -7.717 -9.358 1.00 0.00 C ATOM 83 O GLY A 453 -12.599 -6.963 -9.503 1.00 0.00 O ATOM 0 H GLY A 453 -14.187 -8.659 -11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -13.910 -9.792 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -12.414 -9.462 -9.823 1.00 0.00 H new ATOM 87 N GLU A 454 -14.726 -7.316 -8.859 1.00 0.00 N ATOM 88 CA GLU A 454 -14.945 -5.935 -8.445 1.00 0.00 C ATOM 89 C GLU A 454 -14.786 -5.788 -6.935 1.00 0.00 C ATOM 90 O GLU A 454 -15.397 -4.917 -6.316 1.00 0.00 O ATOM 91 CB GLU A 454 -16.338 -5.466 -8.871 1.00 0.00 C ATOM 92 CG GLU A 454 -17.466 -6.145 -8.113 1.00 0.00 C ATOM 93 CD GLU A 454 -18.837 -5.696 -8.581 1.00 0.00 C ATOM 94 OE1 GLU A 454 -19.238 -4.564 -8.238 1.00 0.00 O ATOM 95 OE2 GLU A 454 -19.508 -6.475 -9.289 1.00 0.00 O ATOM 0 H GLU A 454 -15.532 -7.928 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 454 -14.195 -5.313 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -16.410 -4.388 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -16.465 -5.652 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -17.381 -7.225 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -17.362 -5.934 -7.049 1.00 0.00 H new ATOM 102 N LYS A 455 -13.961 -6.648 -6.346 1.00 0.00 N ATOM 103 CA LYS A 455 -13.720 -6.615 -4.908 1.00 0.00 C ATOM 104 C LYS A 455 -13.011 -5.327 -4.504 1.00 0.00 C ATOM 105 O LYS A 455 -12.402 -4.641 -5.326 1.00 0.00 O ATOM 106 CB LYS A 455 -12.884 -7.825 -4.483 1.00 0.00 C ATOM 107 CG LYS A 455 -13.716 -9.046 -4.132 1.00 0.00 C ATOM 108 CD LYS A 455 -14.345 -9.667 -5.369 1.00 0.00 C ATOM 109 CE LYS A 455 -14.818 -11.087 -5.100 1.00 0.00 C ATOM 110 NZ LYS A 455 -15.981 -11.117 -4.170 1.00 0.00 N ATOM 0 H LYS A 455 -13.448 -7.376 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 455 -14.685 -6.651 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -12.198 -8.083 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -12.275 -7.551 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -13.088 -9.784 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -14.498 -8.764 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -15.188 -9.057 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -13.621 -9.672 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -15.093 -11.563 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -13.999 -11.669 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -16.274 -12.102 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -15.711 -10.686 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -16.771 -10.584 -4.585 1.00 0.00 H new ATOM 124 N PRO A 456 -13.089 -4.988 -3.209 1.00 0.00 N ATOM 125 CA PRO A 456 -12.458 -3.781 -2.667 1.00 0.00 C ATOM 126 C PRO A 456 -10.937 -3.879 -2.651 1.00 0.00 C ATOM 127 O PRO A 456 -10.373 -4.854 -2.153 1.00 0.00 O ATOM 128 CB PRO A 456 -13.005 -3.706 -1.239 1.00 0.00 C ATOM 129 CG PRO A 456 -13.350 -5.113 -0.891 1.00 0.00 C ATOM 130 CD PRO A 456 -13.798 -5.758 -2.173 1.00 0.00 C ATOM 0 HA PRO A 456 -12.679 -2.900 -3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.263 -3.299 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -13.880 -3.059 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.489 -5.634 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.139 -5.147 -0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.532 -6.815 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -14.879 -5.697 -2.297 1.00 0.00 H new ATOM 138 N TYR A 457 -10.277 -2.864 -3.197 1.00 0.00 N ATOM 139 CA TYR A 457 -8.821 -2.837 -3.247 1.00 0.00 C ATOM 140 C TYR A 457 -8.235 -2.489 -1.882 1.00 0.00 C ATOM 141 O TYR A 457 -8.739 -1.611 -1.181 1.00 0.00 O ATOM 142 CB TYR A 457 -8.344 -1.826 -4.291 1.00 0.00 C ATOM 143 CG TYR A 457 -8.703 -2.206 -5.710 1.00 0.00 C ATOM 144 CD1 TYR A 457 -10.007 -2.086 -6.173 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.738 -2.685 -6.587 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.340 -2.433 -7.469 1.00 0.00 C ATOM 147 CE2 TYR A 457 -8.061 -3.033 -7.885 1.00 0.00 C ATOM 148 CZ TYR A 457 -9.364 -2.905 -8.320 1.00 0.00 C ATOM 149 OH TYR A 457 -9.691 -3.251 -9.612 1.00 0.00 O ATOM 0 H TYR A 457 -10.728 -2.048 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.475 -3.831 -3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.776 -0.851 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.262 -1.721 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.774 -1.715 -5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.717 -2.787 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.359 -2.335 -7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -7.298 -3.403 -8.554 1.00 0.00 H new ATOM 0 HH TYR A 457 -8.889 -3.564 -10.080 1.00 0.00 H new ATOM 159 N LYS A 458 -7.165 -3.184 -1.510 1.00 0.00 N ATOM 160 CA LYS A 458 -6.507 -2.949 -0.230 1.00 0.00 C ATOM 161 C LYS A 458 -5.060 -2.511 -0.435 1.00 0.00 C ATOM 162 O LYS A 458 -4.306 -3.149 -1.170 1.00 0.00 O ATOM 163 CB LYS A 458 -6.551 -4.215 0.629 1.00 0.00 C ATOM 164 CG LYS A 458 -5.700 -4.128 1.884 1.00 0.00 C ATOM 165 CD LYS A 458 -4.336 -4.766 1.678 1.00 0.00 C ATOM 166 CE LYS A 458 -3.755 -5.274 2.989 1.00 0.00 C ATOM 167 NZ LYS A 458 -2.778 -6.377 2.772 1.00 0.00 N ATOM 0 H LYS A 458 -6.735 -3.915 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.041 -2.150 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.584 -4.415 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.215 -5.062 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.575 -3.083 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.214 -4.623 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -4.422 -5.592 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -3.656 -4.038 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -3.265 -4.452 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -4.562 -5.625 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -2.405 -6.696 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -3.251 -7.171 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -1.995 -6.035 2.179 1.00 0.00 H new ATOM 181 N CYS A 459 -4.679 -1.420 0.221 1.00 0.00 N ATOM 182 CA CYS A 459 -3.323 -0.897 0.113 1.00 0.00 C ATOM 183 C CYS A 459 -2.337 -1.777 0.877 1.00 0.00 C ATOM 184 O CYS A 459 -2.453 -1.946 2.091 1.00 0.00 O ATOM 185 CB CYS A 459 -3.262 0.536 0.645 1.00 0.00 C ATOM 186 SG CYS A 459 -1.739 1.431 0.200 1.00 0.00 S ATOM 0 H CYS A 459 -5.291 -0.881 0.833 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.044 -0.899 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.120 1.090 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.353 0.513 1.731 1.00 0.00 H new ATOM 191 N HIS A 460 -1.369 -2.334 0.158 1.00 0.00 N ATOM 192 CA HIS A 460 -0.362 -3.196 0.768 1.00 0.00 C ATOM 193 C HIS A 460 0.715 -2.367 1.460 1.00 0.00 C ATOM 194 O HIS A 460 1.578 -2.907 2.152 1.00 0.00 O ATOM 195 CB HIS A 460 0.274 -4.100 -0.289 1.00 0.00 C ATOM 196 CG HIS A 460 1.206 -5.123 0.282 1.00 0.00 C ATOM 197 ND1 HIS A 460 2.578 -4.983 0.267 1.00 0.00 N ATOM 198 CD2 HIS A 460 0.957 -6.308 0.887 1.00 0.00 C ATOM 199 CE1 HIS A 460 3.132 -6.038 0.838 1.00 0.00 C ATOM 200 NE2 HIS A 460 2.170 -6.857 1.223 1.00 0.00 N ATOM 0 H HIS A 460 -1.260 -2.204 -0.848 1.00 0.00 H new ATOM 0 HA HIS A 460 -0.855 -3.816 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 460 -0.515 -4.608 -0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 460 0.819 -3.483 -1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -0.015 -6.741 1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 460 4.191 -6.203 0.968 1.00 0.00 H new ATOM 0 HE2 HIS A 460 2.306 -7.752 1.693 1.00 0.00 H new ATOM 208 N GLU A 461 0.659 -1.053 1.268 1.00 0.00 N ATOM 209 CA GLU A 461 1.631 -0.151 1.874 1.00 0.00 C ATOM 210 C GLU A 461 1.335 0.053 3.357 1.00 0.00 C ATOM 211 O GLU A 461 2.224 -0.064 4.201 1.00 0.00 O ATOM 212 CB GLU A 461 1.627 1.199 1.152 1.00 0.00 C ATOM 213 CG GLU A 461 1.627 1.079 -0.362 1.00 0.00 C ATOM 214 CD GLU A 461 2.867 0.386 -0.892 1.00 0.00 C ATOM 215 OE1 GLU A 461 3.964 0.634 -0.350 1.00 0.00 O ATOM 216 OE2 GLU A 461 2.740 -0.405 -1.851 1.00 0.00 O ATOM 0 H GLU A 461 -0.049 -0.590 0.698 1.00 0.00 H new ATOM 0 HA GLU A 461 2.617 -0.604 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 461 0.749 1.765 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 461 2.502 1.770 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 461 0.743 0.526 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 461 1.555 2.074 -0.802 1.00 0.00 H new ATOM 223 N CYS A 462 0.079 0.357 3.667 1.00 0.00 N ATOM 224 CA CYS A 462 -0.336 0.578 5.047 1.00 0.00 C ATOM 225 C CYS A 462 -1.370 -0.459 5.477 1.00 0.00 C ATOM 226 O CYS A 462 -1.334 -0.959 6.600 1.00 0.00 O ATOM 227 CB CYS A 462 -0.912 1.986 5.210 1.00 0.00 C ATOM 228 SG CYS A 462 -2.190 2.413 3.984 1.00 0.00 S ATOM 0 H CYS A 462 -0.669 0.456 2.981 1.00 0.00 H new ATOM 0 HA CYS A 462 0.542 0.476 5.684 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.337 2.080 6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.100 2.710 5.140 1.00 0.00 H new ATOM 233 N GLY A 463 -2.292 -0.776 4.573 1.00 0.00 N ATOM 234 CA GLY A 463 -3.323 -1.752 4.876 1.00 0.00 C ATOM 235 C GLY A 463 -4.715 -1.151 4.851 1.00 0.00 C ATOM 236 O GLY A 463 -5.645 -1.694 5.447 1.00 0.00 O ATOM 0 H GLY A 463 -2.344 -0.375 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.270 -2.568 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.134 -2.182 5.859 1.00 0.00 H new ATOM 240 N LYS A 464 -4.859 -0.025 4.161 1.00 0.00 N ATOM 241 CA LYS A 464 -6.146 0.652 4.060 1.00 0.00 C ATOM 242 C LYS A 464 -6.948 0.123 2.876 1.00 0.00 C ATOM 243 O LYS A 464 -6.452 0.073 1.750 1.00 0.00 O ATOM 244 CB LYS A 464 -5.942 2.162 3.918 1.00 0.00 C ATOM 245 CG LYS A 464 -5.871 2.894 5.247 1.00 0.00 C ATOM 246 CD LYS A 464 -5.836 4.401 5.052 1.00 0.00 C ATOM 247 CE LYS A 464 -5.486 5.122 6.345 1.00 0.00 C ATOM 248 NZ LYS A 464 -6.677 5.301 7.220 1.00 0.00 N ATOM 0 H LYS A 464 -4.099 0.438 3.663 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.706 0.452 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.022 2.345 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.759 2.577 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.733 2.625 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -4.982 2.576 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -5.104 4.653 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -6.806 4.745 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -4.723 4.557 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -5.056 6.096 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -6.397 5.796 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -7.395 5.862 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -7.072 4.370 7.463 1.00 0.00 H new ATOM 262 N VAL A 465 -8.191 -0.270 3.136 1.00 0.00 N ATOM 263 CA VAL A 465 -9.062 -0.793 2.090 1.00 0.00 C ATOM 264 C VAL A 465 -10.015 0.282 1.580 1.00 0.00 C ATOM 265 O VAL A 465 -10.445 1.155 2.334 1.00 0.00 O ATOM 266 CB VAL A 465 -9.884 -1.995 2.594 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.642 -2.642 1.445 1.00 0.00 C ATOM 268 CG2 VAL A 465 -8.981 -3.006 3.284 1.00 0.00 C ATOM 0 H VAL A 465 -8.617 -0.236 4.062 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.417 -1.119 1.274 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.612 -1.636 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.217 -3.489 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.319 -1.913 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -9.934 -2.988 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -9.578 -3.848 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.229 -3.362 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.488 -2.533 4.134 1.00 0.00 H new ATOM 278 N PHE A 466 -10.342 0.213 0.294 1.00 0.00 N ATOM 279 CA PHE A 466 -11.244 1.181 -0.319 1.00 0.00 C ATOM 280 C PHE A 466 -12.390 0.477 -1.040 1.00 0.00 C ATOM 281 O PHE A 466 -12.504 -0.749 -0.997 1.00 0.00 O ATOM 282 CB PHE A 466 -10.480 2.072 -1.301 1.00 0.00 C ATOM 283 CG PHE A 466 -9.453 2.947 -0.641 1.00 0.00 C ATOM 284 CD1 PHE A 466 -8.167 2.481 -0.417 1.00 0.00 C ATOM 285 CD2 PHE A 466 -9.772 4.236 -0.247 1.00 0.00 C ATOM 286 CE1 PHE A 466 -7.221 3.284 0.191 1.00 0.00 C ATOM 287 CE2 PHE A 466 -8.830 5.044 0.361 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.552 4.568 0.579 1.00 0.00 C ATOM 0 H PHE A 466 -9.996 -0.503 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.663 1.801 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.987 1.443 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -11.191 2.701 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -7.901 1.479 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -10.769 4.614 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -6.223 2.908 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -9.093 6.046 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.813 5.198 1.052 1.00 0.00 H new ATOM 298 N ARG A 467 -13.236 1.260 -1.700 1.00 0.00 N ATOM 299 CA ARG A 467 -14.374 0.713 -2.428 1.00 0.00 C ATOM 300 C ARG A 467 -14.022 0.485 -3.895 1.00 0.00 C ATOM 301 O ARG A 467 -13.959 -0.654 -4.359 1.00 0.00 O ATOM 302 CB ARG A 467 -15.576 1.653 -2.321 1.00 0.00 C ATOM 303 CG ARG A 467 -16.831 1.117 -2.989 1.00 0.00 C ATOM 304 CD ARG A 467 -17.534 0.093 -2.113 1.00 0.00 C ATOM 305 NE ARG A 467 -18.571 -0.632 -2.842 1.00 0.00 N ATOM 306 CZ ARG A 467 -19.431 -1.465 -2.265 1.00 0.00 C ATOM 307 NH1 ARG A 467 -19.378 -1.675 -0.957 1.00 0.00 N ATOM 308 NH2 ARG A 467 -20.346 -2.088 -2.996 1.00 0.00 N ATOM 0 H ARG A 467 -13.155 2.276 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.632 -0.247 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -15.787 1.840 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -15.317 2.612 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -17.511 1.942 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -16.570 0.662 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -16.802 -0.615 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -17.979 0.595 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 467 -18.639 -0.491 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -18.676 -1.197 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -20.039 -2.315 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -20.390 -1.928 -4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -21.005 -2.727 -2.552 1.00 0.00 H new ATOM 322 N ARG A 468 -13.794 1.575 -4.620 1.00 0.00 N ATOM 323 CA ARG A 468 -13.450 1.494 -6.034 1.00 0.00 C ATOM 324 C ARG A 468 -11.968 1.785 -6.251 1.00 0.00 C ATOM 325 O ARG A 468 -11.352 2.525 -5.485 1.00 0.00 O ATOM 326 CB ARG A 468 -14.297 2.478 -6.844 1.00 0.00 C ATOM 327 CG ARG A 468 -15.791 2.342 -6.598 1.00 0.00 C ATOM 328 CD ARG A 468 -16.581 3.382 -7.377 1.00 0.00 C ATOM 329 NE ARG A 468 -17.949 2.946 -7.639 1.00 0.00 N ATOM 330 CZ ARG A 468 -18.263 1.993 -8.509 1.00 0.00 C ATOM 331 NH1 ARG A 468 -17.310 1.379 -9.197 1.00 0.00 N ATOM 332 NH2 ARG A 468 -19.532 1.651 -8.693 1.00 0.00 N ATOM 0 H ARG A 468 -13.841 2.525 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.657 0.480 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.989 3.495 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -14.097 2.329 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -16.119 1.343 -6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.997 2.450 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -16.599 4.317 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -16.078 3.586 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 468 -18.706 3.398 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -16.333 1.638 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -17.554 0.647 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -20.268 2.120 -8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -19.771 0.919 -9.362 1.00 0.00 H new ATOM 346 N ASN A 469 -11.402 1.196 -7.300 1.00 0.00 N ATOM 347 CA ASN A 469 -9.992 1.391 -7.616 1.00 0.00 C ATOM 348 C ASN A 469 -9.648 2.876 -7.678 1.00 0.00 C ATOM 349 O ASN A 469 -8.521 3.275 -7.384 1.00 0.00 O ATOM 350 CB ASN A 469 -9.650 0.721 -8.949 1.00 0.00 C ATOM 351 CG ASN A 469 -10.742 0.905 -9.985 1.00 0.00 C ATOM 352 OD1 ASN A 469 -11.478 1.891 -9.959 1.00 0.00 O ATOM 353 ND2 ASN A 469 -10.851 -0.047 -10.905 1.00 0.00 N ATOM 0 H ASN A 469 -11.898 0.580 -7.945 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.401 0.932 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -8.717 1.134 -9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -9.484 -0.344 -8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -11.567 0.022 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -10.219 -0.847 -10.888 1.00 0.00 H new ATOM 360 N SER A 470 -10.627 3.689 -8.061 1.00 0.00 N ATOM 361 CA SER A 470 -10.427 5.130 -8.164 1.00 0.00 C ATOM 362 C SER A 470 -9.985 5.714 -6.826 1.00 0.00 C ATOM 363 O SER A 470 -9.003 6.455 -6.752 1.00 0.00 O ATOM 364 CB SER A 470 -11.715 5.812 -8.631 1.00 0.00 C ATOM 365 OG SER A 470 -11.769 7.157 -8.186 1.00 0.00 O ATOM 0 H SER A 470 -11.566 3.375 -8.305 1.00 0.00 H new ATOM 0 HA SER A 470 -9.641 5.312 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 470 -11.772 5.783 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 470 -12.578 5.265 -8.252 1.00 0.00 H new ATOM 0 HG SER A 470 -12.600 7.572 -8.498 1.00 0.00 H new ATOM 371 N HIS A 471 -10.716 5.375 -5.769 1.00 0.00 N ATOM 372 CA HIS A 471 -10.400 5.865 -4.432 1.00 0.00 C ATOM 373 C HIS A 471 -8.977 5.482 -4.035 1.00 0.00 C ATOM 374 O HIS A 471 -8.232 6.298 -3.490 1.00 0.00 O ATOM 375 CB HIS A 471 -11.394 5.307 -3.413 1.00 0.00 C ATOM 376 CG HIS A 471 -12.805 5.749 -3.648 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.885 4.896 -3.559 1.00 0.00 N ATOM 378 CD2 HIS A 471 -13.311 6.962 -3.970 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.994 5.566 -3.818 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.673 6.822 -4.070 1.00 0.00 N ATOM 0 H HIS A 471 -11.531 4.763 -5.812 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.475 6.952 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.354 4.218 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -11.088 5.614 -2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.748 7.871 -4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.993 5.156 -3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -15.330 7.567 -4.301 1.00 0.00 H new ATOM 388 N LEU A 472 -8.606 4.237 -4.311 1.00 0.00 N ATOM 389 CA LEU A 472 -7.273 3.745 -3.982 1.00 0.00 C ATOM 390 C LEU A 472 -6.212 4.442 -4.827 1.00 0.00 C ATOM 391 O LEU A 472 -5.087 4.656 -4.377 1.00 0.00 O ATOM 392 CB LEU A 472 -7.199 2.232 -4.196 1.00 0.00 C ATOM 393 CG LEU A 472 -5.858 1.573 -3.871 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.777 1.227 -2.393 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.654 0.330 -4.724 1.00 0.00 C ATOM 0 H LEU A 472 -9.210 3.549 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 472 -7.079 3.967 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.970 1.761 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.442 2.020 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 472 -5.062 2.281 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.816 0.759 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.876 2.136 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.581 0.537 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.695 -0.126 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.455 -0.382 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.666 0.606 -5.778 1.00 0.00 H new ATOM 407 N ALA A 473 -6.579 4.796 -6.055 1.00 0.00 N ATOM 408 CA ALA A 473 -5.660 5.473 -6.962 1.00 0.00 C ATOM 409 C ALA A 473 -5.038 6.697 -6.299 1.00 0.00 C ATOM 410 O ALA A 473 -3.815 6.831 -6.245 1.00 0.00 O ATOM 411 CB ALA A 473 -6.380 5.871 -8.242 1.00 0.00 C ATOM 0 H ALA A 473 -7.506 4.625 -6.444 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.856 4.780 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.682 6.376 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.771 4.979 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -7.203 6.544 -8.002 1.00 0.00 H new ATOM 417 N ARG A 474 -5.886 7.588 -5.798 1.00 0.00 N ATOM 418 CA ARG A 474 -5.419 8.803 -5.141 1.00 0.00 C ATOM 419 C ARG A 474 -4.647 8.470 -3.868 1.00 0.00 C ATOM 420 O ARG A 474 -3.792 9.240 -3.428 1.00 0.00 O ATOM 421 CB ARG A 474 -6.601 9.716 -4.810 1.00 0.00 C ATOM 422 CG ARG A 474 -6.981 10.656 -5.942 1.00 0.00 C ATOM 423 CD ARG A 474 -7.477 9.890 -7.159 1.00 0.00 C ATOM 424 NE ARG A 474 -7.992 10.782 -8.194 1.00 0.00 N ATOM 425 CZ ARG A 474 -7.219 11.549 -8.955 1.00 0.00 C ATOM 426 NH1 ARG A 474 -5.903 11.533 -8.797 1.00 0.00 N ATOM 427 NH2 ARG A 474 -7.763 12.334 -9.876 1.00 0.00 N ATOM 0 H ARG A 474 -6.901 7.492 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.749 9.322 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.464 9.101 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.357 10.305 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -7.756 11.342 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -6.118 11.262 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -6.662 9.292 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -8.261 9.196 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 474 -9.001 10.818 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -5.482 10.931 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -5.312 12.123 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -8.775 12.349 -10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -7.169 12.923 -10.460 1.00 0.00 H new ATOM 441 N HIS A 475 -4.956 7.319 -3.279 1.00 0.00 N ATOM 442 CA HIS A 475 -4.291 6.884 -2.055 1.00 0.00 C ATOM 443 C HIS A 475 -2.921 6.287 -2.364 1.00 0.00 C ATOM 444 O HIS A 475 -2.069 6.177 -1.483 1.00 0.00 O ATOM 445 CB HIS A 475 -5.153 5.858 -1.319 1.00 0.00 C ATOM 446 CG HIS A 475 -4.485 5.270 -0.114 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.359 5.946 1.081 1.00 0.00 N ATOM 448 CD2 HIS A 475 -3.907 4.061 0.076 1.00 0.00 C ATOM 449 CE1 HIS A 475 -3.730 5.178 1.954 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.446 4.029 1.369 1.00 0.00 N ATOM 0 H HIS A 475 -5.662 6.671 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.152 7.756 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.086 6.332 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.415 5.055 -2.008 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -4.698 6.891 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.824 3.269 -0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.489 5.445 2.972 1.00 0.00 H new ATOM 458 N GLN A 476 -2.718 5.903 -3.620 1.00 0.00 N ATOM 459 CA GLN A 476 -1.452 5.317 -4.043 1.00 0.00 C ATOM 460 C GLN A 476 -0.400 6.397 -4.271 1.00 0.00 C ATOM 461 O GLN A 476 0.797 6.111 -4.330 1.00 0.00 O ATOM 462 CB GLN A 476 -1.646 4.501 -5.323 1.00 0.00 C ATOM 463 CG GLN A 476 -2.068 3.062 -5.069 1.00 0.00 C ATOM 464 CD GLN A 476 -1.756 2.148 -6.237 1.00 0.00 C ATOM 465 OE1 GLN A 476 -1.768 2.573 -7.393 1.00 0.00 O ATOM 466 NE2 GLN A 476 -1.475 0.884 -5.942 1.00 0.00 N ATOM 0 H GLN A 476 -3.413 5.987 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 476 -1.103 4.658 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -2.399 4.987 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.715 4.503 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.563 2.691 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -3.138 3.032 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -1.476 0.575 -4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 476 -1.258 0.223 -6.687 1.00 0.00 H new ATOM 475 N LEU A 477 -0.853 7.639 -4.398 1.00 0.00 N ATOM 476 CA LEU A 477 0.050 8.764 -4.619 1.00 0.00 C ATOM 477 C LEU A 477 0.390 9.456 -3.303 1.00 0.00 C ATOM 478 O LEU A 477 0.718 10.643 -3.281 1.00 0.00 O ATOM 479 CB LEU A 477 -0.581 9.766 -5.587 1.00 0.00 C ATOM 480 CG LEU A 477 -1.236 9.173 -6.835 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.127 10.204 -7.511 1.00 0.00 C ATOM 482 CD2 LEU A 477 -0.178 8.664 -7.802 1.00 0.00 C ATOM 0 H LEU A 477 -1.840 7.893 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 477 0.972 8.378 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.332 10.340 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 477 0.190 10.468 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 477 -1.857 8.330 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.585 9.764 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -2.907 10.520 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.528 11.067 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.663 8.245 -8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 477 0.469 9.489 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 477 0.419 7.892 -7.315 1.00 0.00 H new ATOM 494 N ILE A 478 0.312 8.706 -2.209 1.00 0.00 N ATOM 495 CA ILE A 478 0.615 9.247 -0.889 1.00 0.00 C ATOM 496 C ILE A 478 1.876 8.613 -0.312 1.00 0.00 C ATOM 497 O ILE A 478 2.570 9.218 0.506 1.00 0.00 O ATOM 498 CB ILE A 478 -0.552 9.027 0.091 1.00 0.00 C ATOM 499 CG1 ILE A 478 -0.433 9.980 1.282 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.583 7.581 0.563 1.00 0.00 C ATOM 501 CD1 ILE A 478 -1.558 9.839 2.284 1.00 0.00 C ATOM 0 H ILE A 478 0.042 7.722 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 478 0.775 10.318 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.487 9.239 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 478 0.517 9.801 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -0.411 11.006 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.414 7.442 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.711 6.921 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.353 7.343 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -1.408 10.545 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.509 10.047 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.568 8.823 2.680 1.00 0.00 H new ATOM 513 N HIS A 479 2.167 7.390 -0.743 1.00 0.00 N ATOM 514 CA HIS A 479 3.346 6.673 -0.270 1.00 0.00 C ATOM 515 C HIS A 479 4.555 6.976 -1.150 1.00 0.00 C ATOM 516 O HIS A 479 5.678 7.101 -0.660 1.00 0.00 O ATOM 517 CB HIS A 479 3.080 5.168 -0.249 1.00 0.00 C ATOM 518 CG HIS A 479 1.964 4.769 0.666 1.00 0.00 C ATOM 519 ND1 HIS A 479 2.110 4.675 2.034 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.678 4.440 0.403 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.962 4.305 2.573 1.00 0.00 C ATOM 522 NE2 HIS A 479 0.077 4.156 1.604 1.00 0.00 N ATOM 0 H HIS A 479 1.603 6.875 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 479 3.563 7.010 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.846 4.835 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.990 4.651 0.055 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.970 4.862 2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 479 0.211 4.407 -0.570 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.779 4.151 3.626 1.00 0.00 H new ATOM 530 N THR A 480 4.318 7.093 -2.453 1.00 0.00 N ATOM 531 CA THR A 480 5.387 7.380 -3.401 1.00 0.00 C ATOM 532 C THR A 480 6.183 8.609 -2.978 1.00 0.00 C ATOM 533 O THR A 480 5.636 9.705 -2.861 1.00 0.00 O ATOM 534 CB THR A 480 4.833 7.604 -4.821 1.00 0.00 C ATOM 535 OG1 THR A 480 4.019 8.782 -4.849 1.00 0.00 O ATOM 536 CG2 THR A 480 4.016 6.406 -5.279 1.00 0.00 C ATOM 0 H THR A 480 3.395 6.993 -2.876 1.00 0.00 H new ATOM 0 HA THR A 480 6.044 6.511 -3.408 1.00 0.00 H new ATOM 0 HB THR A 480 5.676 7.729 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 480 4.391 9.451 -4.237 1.00 0.00 H new ATOM 0 HG21 THR A 480 3.636 6.588 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 480 4.646 5.517 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 480 3.180 6.254 -4.597 1.00 0.00 H new ATOM 544 N GLY A 481 7.479 8.420 -2.751 1.00 0.00 N ATOM 545 CA GLY A 481 8.330 9.523 -2.344 1.00 0.00 C ATOM 546 C GLY A 481 9.621 9.054 -1.702 1.00 0.00 C ATOM 547 O GLY A 481 10.627 8.866 -2.385 1.00 0.00 O ATOM 0 H GLY A 481 7.955 7.523 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 481 8.563 10.138 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 481 7.788 10.156 -1.642 1.00 0.00 H new ATOM 551 N GLU A 482 9.592 8.867 -0.387 1.00 0.00 N ATOM 552 CA GLU A 482 10.771 8.419 0.346 1.00 0.00 C ATOM 553 C GLU A 482 11.937 9.381 0.139 1.00 0.00 C ATOM 554 O GLU A 482 13.065 8.960 -0.121 1.00 0.00 O ATOM 555 CB GLU A 482 11.171 7.011 -0.098 1.00 0.00 C ATOM 556 CG GLU A 482 10.009 6.033 -0.142 1.00 0.00 C ATOM 557 CD GLU A 482 9.281 5.931 1.184 1.00 0.00 C ATOM 558 OE1 GLU A 482 8.401 6.778 1.445 1.00 0.00 O ATOM 559 OE2 GLU A 482 9.593 5.005 1.961 1.00 0.00 O ATOM 0 H GLU A 482 8.766 9.018 0.193 1.00 0.00 H new ATOM 0 HA GLU A 482 10.522 8.399 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 482 11.626 7.067 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 482 11.932 6.627 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 482 9.306 6.344 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 482 10.379 5.048 -0.426 1.00 0.00 H new ATOM 566 N LYS A 483 11.658 10.674 0.256 1.00 0.00 N ATOM 567 CA LYS A 483 12.682 11.698 0.083 1.00 0.00 C ATOM 568 C LYS A 483 12.237 13.022 0.695 1.00 0.00 C ATOM 569 O LYS A 483 11.927 13.985 -0.008 1.00 0.00 O ATOM 570 CB LYS A 483 12.995 11.889 -1.403 1.00 0.00 C ATOM 571 CG LYS A 483 14.336 12.555 -1.661 1.00 0.00 C ATOM 572 CD LYS A 483 14.376 13.214 -3.029 1.00 0.00 C ATOM 573 CE LYS A 483 15.802 13.526 -3.455 1.00 0.00 C ATOM 574 NZ LYS A 483 15.845 14.506 -4.576 1.00 0.00 N ATOM 0 H LYS A 483 10.730 11.039 0.470 1.00 0.00 H new ATOM 0 HA LYS A 483 13.583 11.366 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 483 12.980 10.917 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 483 12.207 12.489 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 483 14.527 13.302 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 483 15.132 11.813 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 483 13.911 12.557 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 483 13.792 14.134 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 483 16.356 13.923 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 483 16.300 12.605 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 16.834 14.692 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 15.338 14.117 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 15.393 15.394 -4.278 1.00 0.00 H new ATOM 588 N PRO A 484 12.204 13.075 2.035 1.00 0.00 N ATOM 589 CA PRO A 484 11.800 14.277 2.769 1.00 0.00 C ATOM 590 C PRO A 484 12.825 15.400 2.652 1.00 0.00 C ATOM 591 O PRO A 484 13.978 15.246 3.055 1.00 0.00 O ATOM 592 CB PRO A 484 11.702 13.792 4.218 1.00 0.00 C ATOM 593 CG PRO A 484 12.621 12.621 4.287 1.00 0.00 C ATOM 594 CD PRO A 484 12.560 11.966 2.935 1.00 0.00 C ATOM 0 HA PRO A 484 10.872 14.698 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 484 12.001 14.572 4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 484 10.681 13.510 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 484 13.638 12.936 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 484 12.313 11.929 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 484 13.515 11.518 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 484 11.815 11.171 2.907 1.00 0.00 H new ATOM 602 N SER A 485 12.397 16.531 2.099 1.00 0.00 N ATOM 603 CA SER A 485 13.279 17.679 1.926 1.00 0.00 C ATOM 604 C SER A 485 13.828 18.149 3.270 1.00 0.00 C ATOM 605 O SER A 485 13.074 18.399 4.209 1.00 0.00 O ATOM 606 CB SER A 485 12.532 18.824 1.239 1.00 0.00 C ATOM 607 OG SER A 485 11.897 18.379 0.053 1.00 0.00 O ATOM 0 H SER A 485 11.445 16.676 1.763 1.00 0.00 H new ATOM 0 HA SER A 485 14.116 17.372 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 485 11.788 19.238 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 485 13.230 19.627 1.002 1.00 0.00 H new ATOM 0 HG SER A 485 11.425 19.129 -0.366 1.00 0.00 H new ATOM 613 N GLY A 486 15.150 18.268 3.353 1.00 0.00 N ATOM 614 CA GLY A 486 15.779 18.707 4.585 1.00 0.00 C ATOM 615 C GLY A 486 17.059 19.481 4.338 1.00 0.00 C ATOM 616 O GLY A 486 17.439 19.747 3.197 1.00 0.00 O ATOM 0 H GLY A 486 15.796 18.068 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 486 15.082 19.332 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 486 15.997 17.839 5.207 1.00 0.00 H new ATOM 620 N PRO A 487 17.748 19.857 5.426 1.00 0.00 N ATOM 621 CA PRO A 487 19.002 20.611 5.348 1.00 0.00 C ATOM 622 C PRO A 487 20.149 19.773 4.792 1.00 0.00 C ATOM 623 O PRO A 487 20.734 18.956 5.502 1.00 0.00 O ATOM 624 CB PRO A 487 19.277 20.994 6.804 1.00 0.00 C ATOM 625 CG PRO A 487 18.575 19.955 7.608 1.00 0.00 C ATOM 626 CD PRO A 487 17.354 19.574 6.816 1.00 0.00 C ATOM 0 HA PRO A 487 18.922 21.465 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 487 20.346 21.003 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 487 18.899 21.991 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 487 19.217 19.090 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 487 18.299 20.341 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 487 17.096 18.524 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 487 16.483 20.158 7.114 1.00 0.00 H new ATOM 634 N SER A 488 20.464 19.982 3.517 1.00 0.00 N ATOM 635 CA SER A 488 21.539 19.243 2.865 1.00 0.00 C ATOM 636 C SER A 488 22.843 19.381 3.644 1.00 0.00 C ATOM 637 O SER A 488 23.061 20.372 4.342 1.00 0.00 O ATOM 638 CB SER A 488 21.732 19.742 1.432 1.00 0.00 C ATOM 639 OG SER A 488 20.644 19.359 0.608 1.00 0.00 O ATOM 0 H SER A 488 19.990 20.656 2.916 1.00 0.00 H new ATOM 0 HA SER A 488 21.261 18.189 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 488 21.828 20.828 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 488 22.660 19.340 1.025 1.00 0.00 H new ATOM 0 HG SER A 488 20.790 19.691 -0.302 1.00 0.00 H new ATOM 645 N SER A 489 23.709 18.381 3.518 1.00 0.00 N ATOM 646 CA SER A 489 24.991 18.387 4.213 1.00 0.00 C ATOM 647 C SER A 489 25.956 17.388 3.582 1.00 0.00 C ATOM 648 O SER A 489 25.760 16.177 3.673 1.00 0.00 O ATOM 649 CB SER A 489 24.795 18.059 5.694 1.00 0.00 C ATOM 650 OG SER A 489 26.034 17.778 6.323 1.00 0.00 O ATOM 0 H SER A 489 23.546 17.556 2.941 1.00 0.00 H new ATOM 0 HA SER A 489 25.419 19.385 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 489 24.312 18.898 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 489 24.130 17.201 5.795 1.00 0.00 H new ATOM 0 HG SER A 489 25.881 17.573 7.269 1.00 0.00 H new ATOM 656 N GLY A 490 27.000 17.906 2.941 1.00 0.00 N ATOM 657 CA GLY A 490 27.980 17.046 2.304 1.00 0.00 C ATOM 658 C GLY A 490 29.040 16.559 3.271 1.00 0.00 C ATOM 659 O GLY A 490 28.799 16.565 4.477 1.00 0.00 O ATOM 0 H GLY A 490 27.184 18.905 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 490 27.473 16.188 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 490 28.458 17.588 1.488 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.678 3.049 1.950 1.00 0.00 ZN