USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=12 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 Single : A 446 SER OG : rot 180:sc= 0 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= 0.025 USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 TYR OH : rot 180:sc= 0 USER MOD Single : A 458 LYS NZ :NH3+ 140:sc= 0.156 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.073) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 469 ASN : amide:sc= 0.0694 X(o=0.069,f=0) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 HIS : no HD1:sc=-0.00986 K(o=-0.0099,f=-2!) USER MOD Single : A 476 GLN : amide:sc= -0.671 K(o=-0.67,f=-4.8!) USER MOD Single : A 480 THR OG1 : rot 180:sc= -0.0565 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= 0.00652 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -11.443 -24.772 -6.065 1.00 0.00 N ATOM 2 CA GLY A 445 -12.457 -24.792 -7.103 1.00 0.00 C ATOM 3 C GLY A 445 -13.858 -24.627 -6.547 1.00 0.00 C ATOM 4 O GLY A 445 -14.829 -25.089 -7.146 1.00 0.00 O ATOM 0 HA2 GLY A 445 -12.257 -23.994 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -12.395 -25.733 -7.650 1.00 0.00 H new ATOM 8 N SER A 446 -13.963 -23.969 -5.397 1.00 0.00 N ATOM 9 CA SER A 446 -15.255 -23.749 -4.757 1.00 0.00 C ATOM 10 C SER A 446 -16.180 -22.944 -5.664 1.00 0.00 C ATOM 11 O SER A 446 -15.747 -22.011 -6.340 1.00 0.00 O ATOM 12 CB SER A 446 -15.070 -23.022 -3.424 1.00 0.00 C ATOM 13 OG SER A 446 -14.420 -23.852 -2.476 1.00 0.00 O ATOM 0 H SER A 446 -13.169 -23.579 -4.889 1.00 0.00 H new ATOM 0 HA SER A 446 -15.712 -24.721 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.486 -22.115 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 446 -16.041 -22.713 -3.037 1.00 0.00 H new ATOM 0 HG SER A 446 -14.312 -23.364 -1.633 1.00 0.00 H new ATOM 19 N SER A 447 -17.457 -23.313 -5.674 1.00 0.00 N ATOM 20 CA SER A 447 -18.444 -22.628 -6.500 1.00 0.00 C ATOM 21 C SER A 447 -19.485 -21.926 -5.634 1.00 0.00 C ATOM 22 O SER A 447 -19.588 -22.184 -4.435 1.00 0.00 O ATOM 23 CB SER A 447 -19.132 -23.622 -7.439 1.00 0.00 C ATOM 24 OG SER A 447 -19.923 -24.546 -6.712 1.00 0.00 O ATOM 0 H SER A 447 -17.832 -24.082 -5.119 1.00 0.00 H new ATOM 0 HA SER A 447 -17.925 -21.876 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 447 -19.758 -23.082 -8.149 1.00 0.00 H new ATOM 0 HB3 SER A 447 -18.381 -24.159 -8.019 1.00 0.00 H new ATOM 0 HG SER A 447 -20.353 -25.169 -7.334 1.00 0.00 H new ATOM 30 N GLY A 448 -20.257 -21.036 -6.251 1.00 0.00 N ATOM 31 CA GLY A 448 -21.280 -20.309 -5.522 1.00 0.00 C ATOM 32 C GLY A 448 -20.955 -18.836 -5.380 1.00 0.00 C ATOM 33 O GLY A 448 -20.051 -18.461 -4.632 1.00 0.00 O ATOM 0 H GLY A 448 -20.192 -20.806 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -22.235 -20.419 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -21.398 -20.749 -4.532 1.00 0.00 H new ATOM 37 N SER A 449 -21.692 -17.997 -6.101 1.00 0.00 N ATOM 38 CA SER A 449 -21.473 -16.556 -6.057 1.00 0.00 C ATOM 39 C SER A 449 -22.662 -15.845 -5.416 1.00 0.00 C ATOM 40 O SER A 449 -23.799 -16.309 -5.507 1.00 0.00 O ATOM 41 CB SER A 449 -21.238 -16.010 -7.467 1.00 0.00 C ATOM 42 OG SER A 449 -22.461 -15.646 -8.083 1.00 0.00 O ATOM 0 H SER A 449 -22.446 -18.290 -6.722 1.00 0.00 H new ATOM 0 HA SER A 449 -20.588 -16.367 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 449 -20.579 -15.143 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 449 -20.732 -16.762 -8.072 1.00 0.00 H new ATOM 0 HG SER A 449 -22.284 -15.299 -8.982 1.00 0.00 H new ATOM 48 N SER A 450 -22.390 -14.717 -4.769 1.00 0.00 N ATOM 49 CA SER A 450 -23.436 -13.943 -4.109 1.00 0.00 C ATOM 50 C SER A 450 -23.923 -12.811 -5.008 1.00 0.00 C ATOM 51 O SER A 450 -23.928 -11.647 -4.612 1.00 0.00 O ATOM 52 CB SER A 450 -22.920 -13.373 -2.786 1.00 0.00 C ATOM 53 OG SER A 450 -21.607 -12.862 -2.929 1.00 0.00 O ATOM 0 H SER A 450 -21.455 -14.318 -4.687 1.00 0.00 H new ATOM 0 HA SER A 450 -24.274 -14.609 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 450 -23.586 -12.582 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 450 -22.930 -14.151 -2.023 1.00 0.00 H new ATOM 0 HG SER A 450 -21.301 -12.502 -2.070 1.00 0.00 H new ATOM 59 N GLY A 451 -24.333 -13.163 -6.223 1.00 0.00 N ATOM 60 CA GLY A 451 -24.816 -12.167 -7.161 1.00 0.00 C ATOM 61 C GLY A 451 -23.692 -11.362 -7.782 1.00 0.00 C ATOM 62 O GLY A 451 -22.697 -11.923 -8.243 1.00 0.00 O ATOM 0 H GLY A 451 -24.339 -14.121 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -25.384 -12.660 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -25.502 -11.492 -6.649 1.00 0.00 H new ATOM 66 N THR A 452 -23.850 -10.042 -7.798 1.00 0.00 N ATOM 67 CA THR A 452 -22.842 -9.159 -8.370 1.00 0.00 C ATOM 68 C THR A 452 -21.544 -9.217 -7.573 1.00 0.00 C ATOM 69 O THR A 452 -20.466 -8.952 -8.104 1.00 0.00 O ATOM 70 CB THR A 452 -23.336 -7.701 -8.420 1.00 0.00 C ATOM 71 OG1 THR A 452 -22.340 -6.866 -9.024 1.00 0.00 O ATOM 72 CG2 THR A 452 -23.654 -7.189 -7.023 1.00 0.00 C ATOM 0 H THR A 452 -24.667 -9.561 -7.421 1.00 0.00 H new ATOM 0 HA THR A 452 -22.657 -9.507 -9.386 1.00 0.00 H new ATOM 0 HB THR A 452 -24.247 -7.670 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 452 -22.663 -5.941 -9.053 1.00 0.00 H new ATOM 0 HG21 THR A 452 -24.001 -6.157 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 452 -24.433 -7.808 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 452 -22.757 -7.234 -6.406 1.00 0.00 H new ATOM 80 N GLY A 453 -21.654 -9.565 -6.295 1.00 0.00 N ATOM 81 CA GLY A 453 -20.481 -9.652 -5.446 1.00 0.00 C ATOM 82 C GLY A 453 -19.743 -8.332 -5.339 1.00 0.00 C ATOM 83 O GLY A 453 -20.326 -7.270 -5.553 1.00 0.00 O ATOM 0 H GLY A 453 -22.535 -9.788 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -20.781 -9.979 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -19.806 -10.411 -5.841 1.00 0.00 H new ATOM 87 N GLU A 454 -18.458 -8.399 -5.005 1.00 0.00 N ATOM 88 CA GLU A 454 -17.642 -7.199 -4.868 1.00 0.00 C ATOM 89 C GLU A 454 -16.163 -7.557 -4.749 1.00 0.00 C ATOM 90 O GLU A 454 -15.812 -8.684 -4.400 1.00 0.00 O ATOM 91 CB GLU A 454 -18.082 -6.393 -3.644 1.00 0.00 C ATOM 92 CG GLU A 454 -17.765 -4.911 -3.745 1.00 0.00 C ATOM 93 CD GLU A 454 -18.256 -4.126 -2.544 1.00 0.00 C ATOM 94 OE1 GLU A 454 -19.421 -4.323 -2.142 1.00 0.00 O ATOM 95 OE2 GLU A 454 -17.474 -3.314 -2.006 1.00 0.00 O ATOM 0 H GLU A 454 -17.960 -9.271 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 454 -17.781 -6.593 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -19.156 -6.517 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -17.596 -6.800 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -16.687 -4.780 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -18.220 -4.507 -4.649 1.00 0.00 H new ATOM 102 N LYS A 455 -15.301 -6.590 -5.044 1.00 0.00 N ATOM 103 CA LYS A 455 -13.860 -6.801 -4.971 1.00 0.00 C ATOM 104 C LYS A 455 -13.141 -5.514 -4.581 1.00 0.00 C ATOM 105 O LYS A 455 -12.494 -4.863 -5.402 1.00 0.00 O ATOM 106 CB LYS A 455 -13.329 -7.308 -6.314 1.00 0.00 C ATOM 107 CG LYS A 455 -12.081 -8.164 -6.190 1.00 0.00 C ATOM 108 CD LYS A 455 -10.818 -7.334 -6.344 1.00 0.00 C ATOM 109 CE LYS A 455 -10.637 -6.854 -7.776 1.00 0.00 C ATOM 110 NZ LYS A 455 -9.802 -7.794 -8.575 1.00 0.00 N ATOM 0 H LYS A 455 -15.575 -5.652 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 455 -13.666 -7.551 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -14.109 -7.887 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -13.111 -6.454 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -12.075 -8.661 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -12.098 -8.946 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -10.862 -6.475 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -9.953 -7.927 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -11.613 -6.744 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -10.172 -5.868 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -9.702 -7.431 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.862 -7.880 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -10.258 -8.728 -8.600 1.00 0.00 H new ATOM 124 N PRO A 456 -13.254 -5.136 -3.299 1.00 0.00 N ATOM 125 CA PRO A 456 -12.620 -3.925 -2.771 1.00 0.00 C ATOM 126 C PRO A 456 -11.101 -4.048 -2.703 1.00 0.00 C ATOM 127 O PRO A 456 -10.571 -5.022 -2.166 1.00 0.00 O ATOM 128 CB PRO A 456 -13.210 -3.799 -1.365 1.00 0.00 C ATOM 129 CG PRO A 456 -13.591 -5.189 -0.988 1.00 0.00 C ATOM 130 CD PRO A 456 -14.010 -5.864 -2.266 1.00 0.00 C ATOM 0 HA PRO A 456 -12.807 -3.058 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.483 -3.384 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -14.075 -3.135 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.753 -5.712 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.404 -5.188 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.762 -6.925 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -15.085 -5.788 -2.427 1.00 0.00 H new ATOM 138 N TYR A 457 -10.407 -3.057 -3.250 1.00 0.00 N ATOM 139 CA TYR A 457 -8.949 -3.056 -3.252 1.00 0.00 C ATOM 140 C TYR A 457 -8.402 -2.690 -1.876 1.00 0.00 C ATOM 141 O TYR A 457 -8.996 -1.893 -1.150 1.00 0.00 O ATOM 142 CB TYR A 457 -8.420 -2.075 -4.301 1.00 0.00 C ATOM 143 CG TYR A 457 -8.787 -2.450 -5.719 1.00 0.00 C ATOM 144 CD1 TYR A 457 -10.074 -2.246 -6.202 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.846 -3.007 -6.577 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.413 -2.587 -7.496 1.00 0.00 C ATOM 147 CE2 TYR A 457 -8.176 -3.350 -7.873 1.00 0.00 C ATOM 148 CZ TYR A 457 -9.461 -3.139 -8.328 1.00 0.00 C ATOM 149 OH TYR A 457 -9.795 -3.479 -9.619 1.00 0.00 O ATOM 0 H TYR A 457 -10.830 -2.244 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.611 -4.062 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.809 -1.080 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.335 -2.018 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.822 -1.813 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.839 -3.174 -6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.418 -2.423 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -7.432 -3.781 -8.527 1.00 0.00 H new ATOM 0 HH TYR A 457 -9.011 -3.854 -10.072 1.00 0.00 H new ATOM 159 N LYS A 458 -7.263 -3.277 -1.523 1.00 0.00 N ATOM 160 CA LYS A 458 -6.632 -3.014 -0.236 1.00 0.00 C ATOM 161 C LYS A 458 -5.178 -2.591 -0.419 1.00 0.00 C ATOM 162 O LYS A 458 -4.366 -3.342 -0.960 1.00 0.00 O ATOM 163 CB LYS A 458 -6.705 -4.256 0.655 1.00 0.00 C ATOM 164 CG LYS A 458 -6.003 -4.088 1.992 1.00 0.00 C ATOM 165 CD LYS A 458 -5.868 -5.414 2.721 1.00 0.00 C ATOM 166 CE LYS A 458 -5.171 -5.244 4.062 1.00 0.00 C ATOM 167 NZ LYS A 458 -6.117 -4.817 5.130 1.00 0.00 N ATOM 0 H LYS A 458 -6.758 -3.939 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.172 -2.198 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.751 -4.505 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.262 -5.099 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.015 -3.657 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.561 -3.386 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.856 -5.848 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -5.306 -6.114 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -4.701 -6.185 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -4.375 -4.506 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -5.892 -5.317 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -6.030 -3.792 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -7.090 -5.043 4.842 1.00 0.00 H new ATOM 181 N CYS A 459 -4.856 -1.385 0.036 1.00 0.00 N ATOM 182 CA CYS A 459 -3.500 -0.862 -0.076 1.00 0.00 C ATOM 183 C CYS A 459 -2.518 -1.719 0.718 1.00 0.00 C ATOM 184 O CYS A 459 -2.638 -1.852 1.936 1.00 0.00 O ATOM 185 CB CYS A 459 -3.446 0.585 0.419 1.00 0.00 C ATOM 186 SG CYS A 459 -1.916 1.467 -0.027 1.00 0.00 S ATOM 0 H CYS A 459 -5.516 -0.751 0.486 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.213 -0.891 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.298 1.129 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.553 0.591 1.504 1.00 0.00 H new ATOM 191 N HIS A 460 -1.548 -2.299 0.019 1.00 0.00 N ATOM 192 CA HIS A 460 -0.545 -3.143 0.658 1.00 0.00 C ATOM 193 C HIS A 460 0.539 -2.295 1.317 1.00 0.00 C ATOM 194 O HIS A 460 1.350 -2.801 2.092 1.00 0.00 O ATOM 195 CB HIS A 460 0.084 -4.089 -0.365 1.00 0.00 C ATOM 196 CG HIS A 460 0.982 -5.120 0.245 1.00 0.00 C ATOM 197 ND1 HIS A 460 2.217 -5.446 -0.277 1.00 0.00 N ATOM 198 CD2 HIS A 460 0.820 -5.899 1.340 1.00 0.00 C ATOM 199 CE1 HIS A 460 2.774 -6.382 0.471 1.00 0.00 C ATOM 200 NE2 HIS A 460 1.948 -6.674 1.458 1.00 0.00 N ATOM 0 H HIS A 460 -1.435 -2.200 -0.990 1.00 0.00 H new ATOM 0 HA HIS A 460 -1.041 -3.732 1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 460 -0.709 -4.592 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 460 0.654 -3.504 -1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -0.036 -5.909 1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 460 3.741 -6.832 0.303 1.00 0.00 H new ATOM 0 HE2 HIS A 460 2.119 -7.363 2.190 1.00 0.00 H new ATOM 208 N GLU A 461 0.547 -1.003 1.002 1.00 0.00 N ATOM 209 CA GLU A 461 1.532 -0.086 1.563 1.00 0.00 C ATOM 210 C GLU A 461 1.289 0.127 3.054 1.00 0.00 C ATOM 211 O GLU A 461 2.210 0.026 3.866 1.00 0.00 O ATOM 212 CB GLU A 461 1.488 1.256 0.830 1.00 0.00 C ATOM 213 CG GLU A 461 1.454 1.123 -0.683 1.00 0.00 C ATOM 214 CD GLU A 461 2.666 0.396 -1.232 1.00 0.00 C ATOM 215 OE1 GLU A 461 3.730 0.443 -0.580 1.00 0.00 O ATOM 216 OE2 GLU A 461 2.552 -0.218 -2.313 1.00 0.00 O ATOM 0 H GLU A 461 -0.117 -0.568 0.362 1.00 0.00 H new ATOM 0 HA GLU A 461 2.519 -0.529 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 461 0.608 1.810 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 461 2.360 1.845 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 461 0.551 0.589 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 461 1.397 2.115 -1.130 1.00 0.00 H new ATOM 223 N CYS A 462 0.044 0.424 3.408 1.00 0.00 N ATOM 224 CA CYS A 462 -0.322 0.654 4.801 1.00 0.00 C ATOM 225 C CYS A 462 -1.330 -0.388 5.278 1.00 0.00 C ATOM 226 O CYS A 462 -1.245 -0.880 6.402 1.00 0.00 O ATOM 227 CB CYS A 462 -0.905 2.058 4.972 1.00 0.00 C ATOM 228 SG CYS A 462 -2.233 2.461 3.793 1.00 0.00 S ATOM 0 H CYS A 462 -0.730 0.511 2.749 1.00 0.00 H new ATOM 0 HA CYS A 462 0.580 0.566 5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.292 2.158 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.103 2.788 4.863 1.00 0.00 H new ATOM 233 N GLY A 463 -2.283 -0.721 4.412 1.00 0.00 N ATOM 234 CA GLY A 463 -3.293 -1.703 4.763 1.00 0.00 C ATOM 235 C GLY A 463 -4.691 -1.116 4.778 1.00 0.00 C ATOM 236 O GLY A 463 -5.593 -1.658 5.417 1.00 0.00 O ATOM 0 H GLY A 463 -2.374 -0.329 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.256 -2.528 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.066 -2.118 5.745 1.00 0.00 H new ATOM 240 N LYS A 464 -4.872 -0.005 4.073 1.00 0.00 N ATOM 241 CA LYS A 464 -6.169 0.657 4.007 1.00 0.00 C ATOM 242 C LYS A 464 -6.996 0.120 2.843 1.00 0.00 C ATOM 243 O LYS A 464 -6.512 0.027 1.715 1.00 0.00 O ATOM 244 CB LYS A 464 -5.986 2.170 3.861 1.00 0.00 C ATOM 245 CG LYS A 464 -5.958 2.910 5.187 1.00 0.00 C ATOM 246 CD LYS A 464 -5.601 4.375 5.000 1.00 0.00 C ATOM 247 CE LYS A 464 -5.797 5.165 6.285 1.00 0.00 C ATOM 248 NZ LYS A 464 -4.589 5.116 7.155 1.00 0.00 N ATOM 0 H LYS A 464 -4.136 0.456 3.539 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.702 0.449 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.057 2.365 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.796 2.568 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.932 2.831 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -5.233 2.440 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -4.564 4.459 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -6.219 4.803 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -6.028 6.202 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -6.653 4.767 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -4.762 5.666 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -4.383 4.128 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -3.777 5.519 6.645 1.00 0.00 H new ATOM 262 N VAL A 465 -8.247 -0.232 3.125 1.00 0.00 N ATOM 263 CA VAL A 465 -9.142 -0.758 2.101 1.00 0.00 C ATOM 264 C VAL A 465 -9.963 0.357 1.464 1.00 0.00 C ATOM 265 O VAL A 465 -10.270 1.361 2.106 1.00 0.00 O ATOM 266 CB VAL A 465 -10.097 -1.818 2.681 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.889 -2.489 1.569 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.322 -2.847 3.491 1.00 0.00 C ATOM 0 H VAL A 465 -8.663 -0.162 4.054 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.515 -1.223 1.340 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.802 -1.321 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.558 -3.235 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.474 -1.740 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.203 -2.974 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -10.012 -3.588 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.593 -3.341 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.805 -2.350 4.312 1.00 0.00 H new ATOM 278 N PHE A 466 -10.317 0.173 0.196 1.00 0.00 N ATOM 279 CA PHE A 466 -11.104 1.164 -0.529 1.00 0.00 C ATOM 280 C PHE A 466 -12.225 0.496 -1.319 1.00 0.00 C ATOM 281 O PHE A 466 -12.098 -0.650 -1.750 1.00 0.00 O ATOM 282 CB PHE A 466 -10.206 1.965 -1.475 1.00 0.00 C ATOM 283 CG PHE A 466 -9.296 2.927 -0.765 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.796 4.094 -0.210 1.00 0.00 C ATOM 285 CD2 PHE A 466 -7.940 2.663 -0.654 1.00 0.00 C ATOM 286 CE1 PHE A 466 -8.960 4.980 0.442 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.099 3.546 -0.002 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.610 4.705 0.548 1.00 0.00 C ATOM 0 H PHE A 466 -10.071 -0.653 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.550 1.841 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.603 1.273 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -10.831 2.518 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.851 4.313 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.536 1.757 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -9.362 5.887 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.044 3.329 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.956 5.395 1.060 1.00 0.00 H new ATOM 298 N ARG A 467 -13.323 1.221 -1.504 1.00 0.00 N ATOM 299 CA ARG A 467 -14.469 0.699 -2.240 1.00 0.00 C ATOM 300 C ARG A 467 -14.090 0.386 -3.685 1.00 0.00 C ATOM 301 O ARG A 467 -14.097 -0.772 -4.102 1.00 0.00 O ATOM 302 CB ARG A 467 -15.622 1.704 -2.210 1.00 0.00 C ATOM 303 CG ARG A 467 -16.419 1.677 -0.916 1.00 0.00 C ATOM 304 CD ARG A 467 -17.248 2.941 -0.747 1.00 0.00 C ATOM 305 NE ARG A 467 -16.413 4.135 -0.649 1.00 0.00 N ATOM 306 CZ ARG A 467 -15.737 4.471 0.444 1.00 0.00 C ATOM 307 NH1 ARG A 467 -15.798 3.708 1.526 1.00 0.00 N ATOM 308 NH2 ARG A 467 -14.998 5.574 0.455 1.00 0.00 N ATOM 0 H ARG A 467 -13.444 2.172 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.789 -0.225 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -15.223 2.707 -2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -16.293 1.500 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -17.075 0.807 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -15.739 1.570 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -17.929 3.043 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -17.863 2.854 0.149 1.00 0.00 H new ATOM 0 HE ARG A 467 -16.345 4.744 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -16.365 2.860 1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -15.278 3.969 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -14.949 6.164 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -14.479 5.832 1.294 1.00 0.00 H new ATOM 322 N ARG A 468 -13.761 1.427 -4.443 1.00 0.00 N ATOM 323 CA ARG A 468 -13.381 1.264 -5.841 1.00 0.00 C ATOM 324 C ARG A 468 -11.866 1.348 -6.007 1.00 0.00 C ATOM 325 O ARG A 468 -11.135 1.529 -5.034 1.00 0.00 O ATOM 326 CB ARG A 468 -14.059 2.329 -6.704 1.00 0.00 C ATOM 327 CG ARG A 468 -15.572 2.360 -6.557 1.00 0.00 C ATOM 328 CD ARG A 468 -16.215 3.259 -7.600 1.00 0.00 C ATOM 329 NE ARG A 468 -17.671 3.147 -7.597 1.00 0.00 N ATOM 330 CZ ARG A 468 -18.459 3.780 -8.459 1.00 0.00 C ATOM 331 NH1 ARG A 468 -17.934 4.566 -9.389 1.00 0.00 N ATOM 332 NH2 ARG A 468 -19.775 3.627 -8.393 1.00 0.00 N ATOM 0 H ARG A 468 -13.750 2.392 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.711 0.278 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.657 3.307 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -13.808 2.151 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -15.969 1.349 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.834 2.713 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -15.931 4.294 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -15.834 2.999 -8.587 1.00 0.00 H new ATOM 0 HE ARG A 468 -18.107 2.550 -6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -16.923 4.686 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -18.542 5.051 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -20.183 3.023 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -20.379 4.114 -9.055 1.00 0.00 H new ATOM 346 N ASN A 469 -11.403 1.216 -7.246 1.00 0.00 N ATOM 347 CA ASN A 469 -9.976 1.277 -7.539 1.00 0.00 C ATOM 348 C ASN A 469 -9.486 2.721 -7.561 1.00 0.00 C ATOM 349 O ASN A 469 -8.415 3.032 -7.040 1.00 0.00 O ATOM 350 CB ASN A 469 -9.681 0.606 -8.882 1.00 0.00 C ATOM 351 CG ASN A 469 -8.195 0.531 -9.177 1.00 0.00 C ATOM 352 OD1 ASN A 469 -7.723 1.062 -10.181 1.00 0.00 O ATOM 353 ND2 ASN A 469 -7.451 -0.132 -8.299 1.00 0.00 N ATOM 0 H ASN A 469 -11.995 1.066 -8.063 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.446 0.744 -6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -10.100 -0.400 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -10.179 1.159 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -6.445 -0.216 -8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -7.886 -0.557 -7.480 1.00 0.00 H new ATOM 360 N SER A 470 -10.278 3.600 -8.167 1.00 0.00 N ATOM 361 CA SER A 470 -9.924 5.011 -8.260 1.00 0.00 C ATOM 362 C SER A 470 -9.575 5.576 -6.886 1.00 0.00 C ATOM 363 O SER A 470 -8.600 6.312 -6.733 1.00 0.00 O ATOM 364 CB SER A 470 -11.076 5.809 -8.874 1.00 0.00 C ATOM 365 OG SER A 470 -11.117 5.643 -10.281 1.00 0.00 O ATOM 0 H SER A 470 -11.169 3.359 -8.601 1.00 0.00 H new ATOM 0 HA SER A 470 -9.048 5.098 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 470 -12.021 5.484 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 470 -10.960 6.866 -8.632 1.00 0.00 H new ATOM 0 HG SER A 470 -11.863 6.161 -10.650 1.00 0.00 H new ATOM 371 N HIS A 471 -10.380 5.225 -5.888 1.00 0.00 N ATOM 372 CA HIS A 471 -10.158 5.695 -4.525 1.00 0.00 C ATOM 373 C HIS A 471 -8.768 5.301 -4.034 1.00 0.00 C ATOM 374 O HIS A 471 -8.122 6.049 -3.299 1.00 0.00 O ATOM 375 CB HIS A 471 -11.223 5.127 -3.587 1.00 0.00 C ATOM 376 CG HIS A 471 -12.568 5.764 -3.752 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.504 5.321 -4.663 1.00 0.00 N ATOM 378 CD2 HIS A 471 -13.134 6.816 -3.115 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.586 6.074 -4.580 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.388 6.988 -3.648 1.00 0.00 N ATOM 0 H HIS A 471 -11.192 4.617 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.229 6.783 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.314 4.055 -3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -10.893 5.256 -2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.683 7.409 -2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.481 5.961 -5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -15.058 7.705 -3.369 1.00 0.00 H new ATOM 388 N LEU A 472 -8.313 4.122 -4.445 1.00 0.00 N ATOM 389 CA LEU A 472 -7.000 3.628 -4.046 1.00 0.00 C ATOM 390 C LEU A 472 -5.894 4.324 -4.834 1.00 0.00 C ATOM 391 O LEU A 472 -4.804 4.561 -4.316 1.00 0.00 O ATOM 392 CB LEU A 472 -6.917 2.115 -4.257 1.00 0.00 C ATOM 393 CG LEU A 472 -5.562 1.470 -3.965 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.408 1.202 -2.475 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.402 0.182 -4.759 1.00 0.00 C ATOM 0 H LEU A 472 -8.834 3.491 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.862 3.849 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.667 1.639 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.185 1.897 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.778 2.163 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.438 0.743 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.477 2.142 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.199 0.529 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.432 -0.263 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.193 -0.516 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.467 0.401 -5.825 1.00 0.00 H new ATOM 407 N ALA A 473 -6.184 4.649 -6.090 1.00 0.00 N ATOM 408 CA ALA A 473 -5.217 5.322 -6.948 1.00 0.00 C ATOM 409 C ALA A 473 -4.739 6.626 -6.319 1.00 0.00 C ATOM 410 O ALA A 473 -3.539 6.840 -6.145 1.00 0.00 O ATOM 411 CB ALA A 473 -5.820 5.584 -8.319 1.00 0.00 C ATOM 0 H ALA A 473 -7.081 4.457 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.353 4.667 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.086 6.087 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.104 4.637 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.702 6.216 -8.214 1.00 0.00 H new ATOM 417 N ARG A 474 -5.685 7.497 -5.982 1.00 0.00 N ATOM 418 CA ARG A 474 -5.360 8.782 -5.375 1.00 0.00 C ATOM 419 C ARG A 474 -4.643 8.588 -4.043 1.00 0.00 C ATOM 420 O ARG A 474 -3.793 9.393 -3.660 1.00 0.00 O ATOM 421 CB ARG A 474 -6.631 9.607 -5.167 1.00 0.00 C ATOM 422 CG ARG A 474 -7.041 10.413 -6.388 1.00 0.00 C ATOM 423 CD ARG A 474 -7.405 9.510 -7.556 1.00 0.00 C ATOM 424 NE ARG A 474 -8.275 10.182 -8.518 1.00 0.00 N ATOM 425 CZ ARG A 474 -9.583 10.334 -8.345 1.00 0.00 C ATOM 426 NH1 ARG A 474 -10.170 9.865 -7.253 1.00 0.00 N ATOM 427 NH2 ARG A 474 -10.307 10.958 -9.266 1.00 0.00 N ATOM 0 H ARG A 474 -6.683 7.336 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.694 9.317 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.447 8.938 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.480 10.286 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -7.892 11.047 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -6.225 11.075 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -6.495 9.182 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -7.902 8.615 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 474 -7.855 10.555 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -9.617 9.386 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -11.175 9.983 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -9.859 11.321 -10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -11.312 11.074 -9.133 1.00 0.00 H new ATOM 441 N HIS A 475 -4.991 7.514 -3.340 1.00 0.00 N ATOM 442 CA HIS A 475 -4.380 7.214 -2.050 1.00 0.00 C ATOM 443 C HIS A 475 -2.910 6.844 -2.218 1.00 0.00 C ATOM 444 O HIS A 475 -2.068 7.221 -1.403 1.00 0.00 O ATOM 445 CB HIS A 475 -5.130 6.075 -1.359 1.00 0.00 C ATOM 446 CG HIS A 475 -4.456 5.581 -0.116 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.586 6.204 1.108 1.00 0.00 N ATOM 448 CD2 HIS A 475 -3.645 4.517 0.089 1.00 0.00 C ATOM 449 CE1 HIS A 475 -3.882 5.545 2.011 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.301 4.517 1.418 1.00 0.00 N ATOM 0 H HIS A 475 -5.692 6.838 -3.642 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.442 8.108 -1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.135 6.413 -1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.238 5.246 -2.058 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -5.139 7.042 1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.328 3.801 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.796 5.803 3.056 1.00 0.00 H new ATOM 458 N GLN A 476 -2.609 6.103 -3.279 1.00 0.00 N ATOM 459 CA GLN A 476 -1.240 5.680 -3.553 1.00 0.00 C ATOM 460 C GLN A 476 -0.302 6.881 -3.615 1.00 0.00 C ATOM 461 O GLN A 476 0.896 6.761 -3.355 1.00 0.00 O ATOM 462 CB GLN A 476 -1.178 4.900 -4.867 1.00 0.00 C ATOM 463 CG GLN A 476 -1.625 3.453 -4.737 1.00 0.00 C ATOM 464 CD GLN A 476 -0.647 2.608 -3.945 1.00 0.00 C ATOM 465 OE1 GLN A 476 0.258 3.132 -3.294 1.00 0.00 O ATOM 466 NE2 GLN A 476 -0.824 1.293 -3.995 1.00 0.00 N ATOM 0 H GLN A 476 -3.294 5.783 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 476 -0.917 5.031 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.804 5.400 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.156 4.923 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -2.601 3.421 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -1.747 3.024 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -1.587 0.902 -4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 476 -0.197 0.674 -3.481 1.00 0.00 H new ATOM 475 N LEU A 477 -0.854 8.039 -3.963 1.00 0.00 N ATOM 476 CA LEU A 477 -0.066 9.263 -4.061 1.00 0.00 C ATOM 477 C LEU A 477 0.693 9.527 -2.764 1.00 0.00 C ATOM 478 O LEU A 477 1.825 10.011 -2.784 1.00 0.00 O ATOM 479 CB LEU A 477 -0.972 10.451 -4.386 1.00 0.00 C ATOM 480 CG LEU A 477 -1.719 10.381 -5.718 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.511 11.658 -5.954 1.00 0.00 C ATOM 482 CD2 LEU A 477 -0.746 10.136 -6.863 1.00 0.00 C ATOM 0 H LEU A 477 -1.843 8.156 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 477 0.659 9.136 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.705 10.552 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.366 11.357 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.419 9.546 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -3.036 11.590 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.235 11.791 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.831 12.509 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -1.295 10.089 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -0.022 10.950 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.223 9.193 -6.701 1.00 0.00 H new ATOM 494 N ILE A 478 0.063 9.203 -1.640 1.00 0.00 N ATOM 495 CA ILE A 478 0.680 9.403 -0.334 1.00 0.00 C ATOM 496 C ILE A 478 1.932 8.545 -0.181 1.00 0.00 C ATOM 497 O ILE A 478 2.835 8.878 0.587 1.00 0.00 O ATOM 498 CB ILE A 478 -0.298 9.071 0.808 1.00 0.00 C ATOM 499 CG1 ILE A 478 0.173 9.711 2.115 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.434 7.564 0.968 1.00 0.00 C ATOM 501 CD1 ILE A 478 -0.802 9.539 3.258 1.00 0.00 C ATOM 0 H ILE A 478 -0.874 8.801 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 478 0.953 10.456 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.277 9.480 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.132 9.277 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 478 0.342 10.775 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.129 7.345 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.811 7.132 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.540 7.133 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -0.403 10.018 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.755 9.998 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -0.952 8.477 3.451 1.00 0.00 H new ATOM 513 N HIS A 479 1.979 7.440 -0.919 1.00 0.00 N ATOM 514 CA HIS A 479 3.122 6.535 -0.867 1.00 0.00 C ATOM 515 C HIS A 479 4.094 6.822 -2.007 1.00 0.00 C ATOM 516 O HIS A 479 5.218 7.273 -1.781 1.00 0.00 O ATOM 517 CB HIS A 479 2.652 5.082 -0.936 1.00 0.00 C ATOM 518 CG HIS A 479 1.628 4.734 0.100 1.00 0.00 C ATOM 519 ND1 HIS A 479 1.924 4.617 1.441 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.303 4.478 -0.015 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.827 4.303 2.107 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.171 4.213 1.246 1.00 0.00 N ATOM 0 H HIS A 479 1.240 7.150 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 479 3.640 6.697 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.236 4.890 -1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.513 4.424 -0.819 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.846 4.752 1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.273 4.482 -0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.758 4.147 3.173 1.00 0.00 H new ATOM 530 N THR A 480 3.656 6.558 -3.234 1.00 0.00 N ATOM 531 CA THR A 480 4.487 6.785 -4.409 1.00 0.00 C ATOM 532 C THR A 480 4.049 8.039 -5.158 1.00 0.00 C ATOM 533 O THR A 480 2.885 8.432 -5.102 1.00 0.00 O ATOM 534 CB THR A 480 4.442 5.584 -5.371 1.00 0.00 C ATOM 535 OG1 THR A 480 5.142 5.897 -6.580 1.00 0.00 O ATOM 536 CG2 THR A 480 3.005 5.204 -5.696 1.00 0.00 C ATOM 0 H THR A 480 2.729 6.186 -3.440 1.00 0.00 H new ATOM 0 HA THR A 480 5.509 6.916 -4.052 1.00 0.00 H new ATOM 0 HB THR A 480 4.924 4.738 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 480 5.110 5.127 -7.185 1.00 0.00 H new ATOM 0 HG21 THR A 480 2.999 4.353 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 480 2.483 4.937 -4.777 1.00 0.00 H new ATOM 0 HG23 THR A 480 2.503 6.049 -6.167 1.00 0.00 H new ATOM 544 N GLY A 481 4.991 8.662 -5.860 1.00 0.00 N ATOM 545 CA GLY A 481 4.681 9.865 -6.611 1.00 0.00 C ATOM 546 C GLY A 481 5.390 9.911 -7.950 1.00 0.00 C ATOM 547 O GLY A 481 6.436 10.546 -8.084 1.00 0.00 O ATOM 0 H GLY A 481 5.962 8.356 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 481 3.604 9.922 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 481 4.963 10.739 -6.024 1.00 0.00 H new ATOM 551 N GLU A 482 4.821 9.234 -8.943 1.00 0.00 N ATOM 552 CA GLU A 482 5.408 9.199 -10.278 1.00 0.00 C ATOM 553 C GLU A 482 4.487 9.866 -11.295 1.00 0.00 C ATOM 554 O GLU A 482 3.521 9.263 -11.764 1.00 0.00 O ATOM 555 CB GLU A 482 5.689 7.754 -10.697 1.00 0.00 C ATOM 556 CG GLU A 482 6.824 7.621 -11.699 1.00 0.00 C ATOM 557 CD GLU A 482 8.183 7.536 -11.032 1.00 0.00 C ATOM 558 OE1 GLU A 482 8.291 6.859 -9.988 1.00 0.00 O ATOM 559 OE2 GLU A 482 9.139 8.146 -11.555 1.00 0.00 O ATOM 0 H GLU A 482 3.955 8.703 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 482 6.348 9.751 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 482 5.928 7.167 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 482 4.783 7.327 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 482 6.665 6.730 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 482 6.808 8.475 -12.376 1.00 0.00 H new ATOM 566 N LYS A 483 4.792 11.114 -11.632 1.00 0.00 N ATOM 567 CA LYS A 483 3.994 11.865 -12.593 1.00 0.00 C ATOM 568 C LYS A 483 4.815 12.209 -13.831 1.00 0.00 C ATOM 569 O LYS A 483 5.190 13.360 -14.057 1.00 0.00 O ATOM 570 CB LYS A 483 3.457 13.146 -11.952 1.00 0.00 C ATOM 571 CG LYS A 483 2.223 12.926 -11.095 1.00 0.00 C ATOM 572 CD LYS A 483 2.593 12.550 -9.670 1.00 0.00 C ATOM 573 CE LYS A 483 3.116 13.750 -8.895 1.00 0.00 C ATOM 574 NZ LYS A 483 3.221 13.466 -7.437 1.00 0.00 N ATOM 0 H LYS A 483 5.588 11.627 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 483 3.155 11.240 -12.897 1.00 0.00 H new ATOM 0 HB2 LYS A 483 4.240 13.591 -11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 483 3.220 13.864 -12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 483 1.618 13.833 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 483 1.611 12.138 -11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 483 1.720 12.140 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 483 3.351 11.766 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 483 4.095 14.033 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 483 2.453 14.601 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 3.581 14.308 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 2.282 13.221 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 3.873 12.671 -7.284 1.00 0.00 H new ATOM 588 N PRO A 484 5.102 11.190 -14.655 1.00 0.00 N ATOM 589 CA PRO A 484 5.881 11.361 -15.885 1.00 0.00 C ATOM 590 C PRO A 484 5.116 12.137 -16.952 1.00 0.00 C ATOM 591 O PRO A 484 5.653 13.056 -17.571 1.00 0.00 O ATOM 592 CB PRO A 484 6.135 9.924 -16.347 1.00 0.00 C ATOM 593 CG PRO A 484 5.016 9.135 -15.761 1.00 0.00 C ATOM 594 CD PRO A 484 4.688 9.792 -14.449 1.00 0.00 C ATOM 0 HA PRO A 484 6.792 11.935 -15.714 1.00 0.00 H new ATOM 0 HB2 PRO A 484 6.142 9.853 -17.435 1.00 0.00 H new ATOM 0 HB3 PRO A 484 7.101 9.561 -15.997 1.00 0.00 H new ATOM 0 HG2 PRO A 484 4.151 9.134 -16.424 1.00 0.00 H new ATOM 0 HG3 PRO A 484 5.307 8.095 -15.614 1.00 0.00 H new ATOM 0 HD2 PRO A 484 3.626 9.718 -14.217 1.00 0.00 H new ATOM 0 HD3 PRO A 484 5.228 9.331 -13.622 1.00 0.00 H new ATOM 602 N SER A 485 3.858 11.761 -17.163 1.00 0.00 N ATOM 603 CA SER A 485 3.020 12.419 -18.158 1.00 0.00 C ATOM 604 C SER A 485 2.675 13.840 -17.723 1.00 0.00 C ATOM 605 O SER A 485 1.847 14.046 -16.837 1.00 0.00 O ATOM 606 CB SER A 485 1.737 11.617 -18.386 1.00 0.00 C ATOM 607 OG SER A 485 0.689 12.452 -18.846 1.00 0.00 O ATOM 0 H SER A 485 3.397 11.004 -16.658 1.00 0.00 H new ATOM 0 HA SER A 485 3.579 12.469 -19.092 1.00 0.00 H new ATOM 0 HB2 SER A 485 1.923 10.827 -19.114 1.00 0.00 H new ATOM 0 HB3 SER A 485 1.438 11.131 -17.457 1.00 0.00 H new ATOM 0 HG SER A 485 -0.119 11.916 -18.986 1.00 0.00 H new ATOM 613 N GLY A 486 3.316 14.818 -18.355 1.00 0.00 N ATOM 614 CA GLY A 486 3.065 16.207 -18.021 1.00 0.00 C ATOM 615 C GLY A 486 4.343 17.010 -17.878 1.00 0.00 C ATOM 616 O GLY A 486 4.775 17.337 -16.773 1.00 0.00 O ATOM 0 H GLY A 486 4.005 14.673 -19.093 1.00 0.00 H new ATOM 0 HA2 GLY A 486 2.442 16.656 -18.794 1.00 0.00 H new ATOM 0 HA3 GLY A 486 2.502 16.257 -17.089 1.00 0.00 H new ATOM 620 N PRO A 487 4.970 17.339 -19.017 1.00 0.00 N ATOM 621 CA PRO A 487 6.216 18.111 -19.040 1.00 0.00 C ATOM 622 C PRO A 487 6.006 19.562 -18.622 1.00 0.00 C ATOM 623 O PRO A 487 4.924 20.120 -18.804 1.00 0.00 O ATOM 624 CB PRO A 487 6.654 18.034 -20.505 1.00 0.00 C ATOM 625 CG PRO A 487 5.393 17.808 -21.266 1.00 0.00 C ATOM 626 CD PRO A 487 4.512 16.982 -20.370 1.00 0.00 C ATOM 0 HA PRO A 487 6.953 17.717 -18.340 1.00 0.00 H new ATOM 0 HB2 PRO A 487 7.147 18.954 -20.820 1.00 0.00 H new ATOM 0 HB3 PRO A 487 7.363 17.222 -20.664 1.00 0.00 H new ATOM 0 HG2 PRO A 487 4.915 18.754 -21.519 1.00 0.00 H new ATOM 0 HG3 PRO A 487 5.591 17.290 -22.204 1.00 0.00 H new ATOM 0 HD2 PRO A 487 3.458 17.220 -20.513 1.00 0.00 H new ATOM 0 HD3 PRO A 487 4.628 15.916 -20.565 1.00 0.00 H new ATOM 634 N SER A 488 7.048 20.168 -18.062 1.00 0.00 N ATOM 635 CA SER A 488 6.976 21.555 -17.615 1.00 0.00 C ATOM 636 C SER A 488 7.727 22.474 -18.573 1.00 0.00 C ATOM 637 O SER A 488 7.148 23.395 -19.149 1.00 0.00 O ATOM 638 CB SER A 488 7.553 21.689 -16.204 1.00 0.00 C ATOM 639 OG SER A 488 6.973 20.742 -15.324 1.00 0.00 O ATOM 0 H SER A 488 7.952 19.721 -17.907 1.00 0.00 H new ATOM 0 HA SER A 488 5.927 21.852 -17.601 1.00 0.00 H new ATOM 0 HB2 SER A 488 8.633 21.548 -16.235 1.00 0.00 H new ATOM 0 HB3 SER A 488 7.374 22.696 -15.829 1.00 0.00 H new ATOM 0 HG SER A 488 7.359 20.847 -14.430 1.00 0.00 H new ATOM 645 N SER A 489 9.021 22.217 -18.739 1.00 0.00 N ATOM 646 CA SER A 489 9.853 23.022 -19.624 1.00 0.00 C ATOM 647 C SER A 489 9.362 22.929 -21.065 1.00 0.00 C ATOM 648 O SER A 489 9.167 23.943 -21.733 1.00 0.00 O ATOM 649 CB SER A 489 11.312 22.569 -19.539 1.00 0.00 C ATOM 650 OG SER A 489 11.412 21.157 -19.606 1.00 0.00 O ATOM 0 H SER A 489 9.515 21.457 -18.272 1.00 0.00 H new ATOM 0 HA SER A 489 9.784 24.061 -19.302 1.00 0.00 H new ATOM 0 HB2 SER A 489 11.883 23.016 -20.353 1.00 0.00 H new ATOM 0 HB3 SER A 489 11.753 22.924 -18.608 1.00 0.00 H new ATOM 0 HG SER A 489 12.354 20.893 -19.551 1.00 0.00 H new ATOM 656 N GLY A 490 9.165 21.702 -21.539 1.00 0.00 N ATOM 657 CA GLY A 490 8.699 21.497 -22.898 1.00 0.00 C ATOM 658 C GLY A 490 7.290 22.013 -23.111 1.00 0.00 C ATOM 659 O GLY A 490 7.101 22.924 -23.917 1.00 0.00 O ATOM 0 H GLY A 490 9.320 20.846 -21.006 1.00 0.00 H new ATOM 0 HA2 GLY A 490 9.375 21.999 -23.590 1.00 0.00 H new ATOM 0 HA3 GLY A 490 8.733 20.433 -23.134 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.811 3.073 1.734 1.00 0.00 ZN