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 Single : A 446 SER OG : rot 34:sc= 0.28 USER MOD Single : A 447 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 450 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 452 THR OG1 : rot 180:sc= -0.0101 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 469 ASN : amide:sc= 0.00179 X(o=0.0018,f=-0.024) USER MOD Single : A 470 SER OG : rot -160:sc= -0.206 USER MOD Single : A 471 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.7) USER MOD Single : A 476 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 THR OG1 : rot 180:sc= 0 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 -38:sc= 0.978 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -17.846 -30.059 -24.846 1.00 0.00 N ATOM 2 CA GLY A 445 -17.005 -29.650 -23.737 1.00 0.00 C ATOM 3 C GLY A 445 -17.772 -28.877 -22.681 1.00 0.00 C ATOM 4 O GLY A 445 -18.947 -29.148 -22.436 1.00 0.00 O ATOM 0 HA2 GLY A 445 -16.555 -30.532 -23.282 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -16.188 -29.033 -24.113 1.00 0.00 H new ATOM 8 N SER A 446 -17.105 -27.914 -22.054 1.00 0.00 N ATOM 9 CA SER A 446 -17.730 -27.104 -21.015 1.00 0.00 C ATOM 10 C SER A 446 -16.989 -25.782 -20.838 1.00 0.00 C ATOM 11 O SER A 446 -15.795 -25.762 -20.541 1.00 0.00 O ATOM 12 CB SER A 446 -17.757 -27.868 -19.690 1.00 0.00 C ATOM 13 OG SER A 446 -16.449 -28.227 -19.282 1.00 0.00 O ATOM 0 H SER A 446 -16.132 -27.675 -22.247 1.00 0.00 H new ATOM 0 HA SER A 446 -18.753 -26.889 -21.323 1.00 0.00 H new ATOM 0 HB2 SER A 446 -18.225 -27.253 -18.921 1.00 0.00 H new ATOM 0 HB3 SER A 446 -18.367 -28.765 -19.796 1.00 0.00 H new ATOM 0 HG SER A 446 -15.818 -27.527 -19.552 1.00 0.00 H new ATOM 19 N SER A 447 -17.708 -24.679 -21.022 1.00 0.00 N ATOM 20 CA SER A 447 -17.119 -23.351 -20.887 1.00 0.00 C ATOM 21 C SER A 447 -18.204 -22.287 -20.750 1.00 0.00 C ATOM 22 O SER A 447 -19.331 -22.472 -21.206 1.00 0.00 O ATOM 23 CB SER A 447 -16.231 -23.039 -22.093 1.00 0.00 C ATOM 24 OG SER A 447 -15.971 -21.649 -22.188 1.00 0.00 O ATOM 0 H SER A 447 -18.699 -24.678 -21.265 1.00 0.00 H new ATOM 0 HA SER A 447 -16.509 -23.341 -19.984 1.00 0.00 H new ATOM 0 HB2 SER A 447 -15.290 -23.583 -22.007 1.00 0.00 H new ATOM 0 HB3 SER A 447 -16.717 -23.385 -23.006 1.00 0.00 H new ATOM 0 HG SER A 447 -15.400 -21.475 -22.965 1.00 0.00 H new ATOM 30 N GLY A 448 -17.853 -21.172 -20.116 1.00 0.00 N ATOM 31 CA GLY A 448 -18.807 -20.094 -19.929 1.00 0.00 C ATOM 32 C GLY A 448 -18.237 -18.951 -19.114 1.00 0.00 C ATOM 33 O GLY A 448 -17.025 -18.865 -18.914 1.00 0.00 O ATOM 0 H GLY A 448 -16.926 -20.996 -19.729 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -19.123 -19.720 -20.903 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -19.696 -20.482 -19.433 1.00 0.00 H new ATOM 37 N SER A 449 -19.112 -18.069 -18.642 1.00 0.00 N ATOM 38 CA SER A 449 -18.689 -16.921 -17.848 1.00 0.00 C ATOM 39 C SER A 449 -19.543 -16.785 -16.591 1.00 0.00 C ATOM 40 O SER A 449 -20.757 -16.601 -16.670 1.00 0.00 O ATOM 41 CB SER A 449 -18.776 -15.639 -18.679 1.00 0.00 C ATOM 42 OG SER A 449 -18.458 -15.889 -20.037 1.00 0.00 O ATOM 0 H SER A 449 -20.119 -18.127 -18.796 1.00 0.00 H new ATOM 0 HA SER A 449 -17.654 -17.081 -17.547 1.00 0.00 H new ATOM 0 HB2 SER A 449 -19.781 -15.224 -18.608 1.00 0.00 H new ATOM 0 HB3 SER A 449 -18.093 -14.892 -18.274 1.00 0.00 H new ATOM 0 HG SER A 449 -18.523 -15.055 -20.547 1.00 0.00 H new ATOM 48 N SER A 450 -18.898 -16.878 -15.432 1.00 0.00 N ATOM 49 CA SER A 450 -19.598 -16.769 -14.158 1.00 0.00 C ATOM 50 C SER A 450 -18.670 -16.232 -13.072 1.00 0.00 C ATOM 51 O SER A 450 -17.605 -16.792 -12.817 1.00 0.00 O ATOM 52 CB SER A 450 -20.155 -18.131 -13.740 1.00 0.00 C ATOM 53 OG SER A 450 -21.013 -18.659 -14.737 1.00 0.00 O ATOM 0 H SER A 450 -17.893 -17.028 -15.350 1.00 0.00 H new ATOM 0 HA SER A 450 -20.424 -16.069 -14.285 1.00 0.00 H new ATOM 0 HB2 SER A 450 -19.333 -18.824 -13.559 1.00 0.00 H new ATOM 0 HB3 SER A 450 -20.701 -18.032 -12.802 1.00 0.00 H new ATOM 0 HG SER A 450 -21.355 -19.530 -14.447 1.00 0.00 H new ATOM 59 N GLY A 451 -19.083 -15.139 -12.436 1.00 0.00 N ATOM 60 CA GLY A 451 -18.278 -14.544 -11.386 1.00 0.00 C ATOM 61 C GLY A 451 -17.471 -13.358 -11.876 1.00 0.00 C ATOM 62 O GLY A 451 -16.330 -13.511 -12.313 1.00 0.00 O ATOM 0 H GLY A 451 -19.960 -14.656 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -18.928 -14.226 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -17.602 -15.297 -10.980 1.00 0.00 H new ATOM 66 N THR A 452 -18.065 -12.170 -11.807 1.00 0.00 N ATOM 67 CA THR A 452 -17.395 -10.954 -12.250 1.00 0.00 C ATOM 68 C THR A 452 -17.902 -9.737 -11.485 1.00 0.00 C ATOM 69 O THR A 452 -19.059 -9.690 -11.070 1.00 0.00 O ATOM 70 CB THR A 452 -17.598 -10.718 -13.759 1.00 0.00 C ATOM 71 OG1 THR A 452 -17.078 -9.437 -14.129 1.00 0.00 O ATOM 72 CG2 THR A 452 -19.072 -10.798 -14.125 1.00 0.00 C ATOM 0 H THR A 452 -19.009 -12.025 -11.448 1.00 0.00 H new ATOM 0 HA THR A 452 -16.332 -11.089 -12.050 1.00 0.00 H new ATOM 0 HB THR A 452 -17.062 -11.497 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 452 -17.209 -9.296 -15.090 1.00 0.00 H new ATOM 0 HG21 THR A 452 -19.191 -10.628 -15.195 1.00 0.00 H new ATOM 0 HG22 THR A 452 -19.457 -11.785 -13.869 1.00 0.00 H new ATOM 0 HG23 THR A 452 -19.626 -10.038 -13.573 1.00 0.00 H new ATOM 80 N GLY A 453 -17.027 -8.753 -11.301 1.00 0.00 N ATOM 81 CA GLY A 453 -17.406 -7.548 -10.586 1.00 0.00 C ATOM 82 C GLY A 453 -16.231 -6.898 -9.883 1.00 0.00 C ATOM 83 O GLY A 453 -15.233 -7.556 -9.591 1.00 0.00 O ATOM 0 H GLY A 453 -16.063 -8.769 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -17.846 -6.837 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -18.175 -7.791 -9.853 1.00 0.00 H new ATOM 87 N GLU A 454 -16.349 -5.602 -9.611 1.00 0.00 N ATOM 88 CA GLU A 454 -15.286 -4.863 -8.940 1.00 0.00 C ATOM 89 C GLU A 454 -15.295 -5.140 -7.439 1.00 0.00 C ATOM 90 O GLU A 454 -16.350 -5.157 -6.805 1.00 0.00 O ATOM 91 CB GLU A 454 -15.440 -3.362 -9.193 1.00 0.00 C ATOM 92 CG GLU A 454 -14.120 -2.608 -9.205 1.00 0.00 C ATOM 93 CD GLU A 454 -14.283 -1.153 -9.600 1.00 0.00 C ATOM 94 OE1 GLU A 454 -15.128 -0.465 -8.990 1.00 0.00 O ATOM 95 OE2 GLU A 454 -13.566 -0.703 -10.518 1.00 0.00 O ATOM 0 H GLU A 454 -17.169 -5.043 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 454 -14.332 -5.197 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -15.943 -3.213 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -16.085 -2.937 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -13.665 -2.663 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -13.434 -3.094 -9.899 1.00 0.00 H new ATOM 102 N LYS A 455 -14.111 -5.356 -6.877 1.00 0.00 N ATOM 103 CA LYS A 455 -13.979 -5.632 -5.451 1.00 0.00 C ATOM 104 C LYS A 455 -13.156 -4.549 -4.761 1.00 0.00 C ATOM 105 O LYS A 455 -12.409 -3.804 -5.396 1.00 0.00 O ATOM 106 CB LYS A 455 -13.327 -6.999 -5.233 1.00 0.00 C ATOM 107 CG LYS A 455 -14.326 -8.139 -5.125 1.00 0.00 C ATOM 108 CD LYS A 455 -14.268 -8.804 -3.760 1.00 0.00 C ATOM 109 CE LYS A 455 -14.816 -10.222 -3.807 1.00 0.00 C ATOM 110 NZ LYS A 455 -14.967 -10.803 -2.444 1.00 0.00 N ATOM 0 H LYS A 455 -13.228 -5.345 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 455 -14.978 -5.639 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -12.644 -7.202 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -12.727 -6.965 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -15.332 -7.760 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -14.121 -8.878 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -13.237 -8.823 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -14.840 -8.215 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -15.783 -10.221 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -14.149 -10.850 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -15.343 -11.770 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -14.040 -10.827 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -15.623 -10.218 -1.888 1.00 0.00 H new ATOM 124 N PRO A 456 -13.293 -4.458 -3.430 1.00 0.00 N ATOM 125 CA PRO A 456 -12.569 -3.470 -2.625 1.00 0.00 C ATOM 126 C PRO A 456 -11.075 -3.767 -2.549 1.00 0.00 C ATOM 127 O PRO A 456 -10.666 -4.825 -2.069 1.00 0.00 O ATOM 128 CB PRO A 456 -13.211 -3.600 -1.242 1.00 0.00 C ATOM 129 CG PRO A 456 -13.745 -4.990 -1.201 1.00 0.00 C ATOM 130 CD PRO A 456 -14.166 -5.313 -2.608 1.00 0.00 C ATOM 0 HA PRO A 456 -12.638 -2.469 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.481 -3.433 -0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -14.005 -2.867 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.986 -5.689 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.588 -5.064 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -14.025 -6.369 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -15.220 -5.089 -2.774 1.00 0.00 H new ATOM 138 N TYR A 457 -10.265 -2.829 -3.026 1.00 0.00 N ATOM 139 CA TYR A 457 -8.816 -2.992 -3.014 1.00 0.00 C ATOM 140 C TYR A 457 -8.245 -2.688 -1.632 1.00 0.00 C ATOM 141 O TYR A 457 -8.761 -1.837 -0.907 1.00 0.00 O ATOM 142 CB TYR A 457 -8.170 -2.078 -4.057 1.00 0.00 C ATOM 143 CG TYR A 457 -8.436 -2.504 -5.483 1.00 0.00 C ATOM 144 CD1 TYR A 457 -9.717 -2.446 -6.019 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.407 -2.964 -6.295 1.00 0.00 C ATOM 146 CE1 TYR A 457 -9.964 -2.835 -7.321 1.00 0.00 C ATOM 147 CE2 TYR A 457 -7.645 -3.354 -7.599 1.00 0.00 C ATOM 148 CZ TYR A 457 -8.925 -3.288 -8.107 1.00 0.00 C ATOM 149 OH TYR A 457 -9.167 -3.675 -9.405 1.00 0.00 O ATOM 0 H TYR A 457 -10.587 -1.948 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.591 -4.030 -3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.538 -1.062 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.093 -2.053 -3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.533 -2.091 -5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.403 -3.018 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -10.966 -2.785 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -6.833 -3.708 -8.217 1.00 0.00 H new ATOM 0 HH TYR A 457 -8.329 -3.967 -9.821 1.00 0.00 H new ATOM 159 N LYS A 458 -7.176 -3.390 -1.273 1.00 0.00 N ATOM 160 CA LYS A 458 -6.531 -3.196 0.020 1.00 0.00 C ATOM 161 C LYS A 458 -5.083 -2.750 -0.156 1.00 0.00 C ATOM 162 O LYS A 458 -4.233 -3.524 -0.597 1.00 0.00 O ATOM 163 CB LYS A 458 -6.581 -4.490 0.837 1.00 0.00 C ATOM 164 CG LYS A 458 -5.957 -4.363 2.216 1.00 0.00 C ATOM 165 CD LYS A 458 -5.499 -5.711 2.746 1.00 0.00 C ATOM 166 CE LYS A 458 -4.762 -5.567 4.070 1.00 0.00 C ATOM 167 NZ LYS A 458 -5.690 -5.647 5.232 1.00 0.00 N ATOM 0 H LYS A 458 -6.737 -4.099 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.071 -2.414 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.620 -4.802 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.067 -5.278 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.108 -3.681 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.680 -3.927 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.362 -6.364 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -4.847 -6.188 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -4.008 -6.349 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -4.235 -4.613 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -5.150 -5.545 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -6.395 -4.885 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -6.174 -6.567 5.227 1.00 0.00 H new ATOM 181 N CYS A 459 -4.809 -1.497 0.194 1.00 0.00 N ATOM 182 CA CYS A 459 -3.463 -0.948 0.076 1.00 0.00 C ATOM 183 C CYS A 459 -2.447 -1.842 0.780 1.00 0.00 C ATOM 184 O CYS A 459 -2.517 -2.046 1.992 1.00 0.00 O ATOM 185 CB CYS A 459 -3.413 0.463 0.667 1.00 0.00 C ATOM 186 SG CYS A 459 -2.047 1.487 0.031 1.00 0.00 S ATOM 0 H CYS A 459 -5.501 -0.843 0.561 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.207 -0.902 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.357 0.966 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.323 0.389 1.751 1.00 0.00 H new ATOM 191 N HIS A 460 -1.502 -2.373 0.010 1.00 0.00 N ATOM 192 CA HIS A 460 -0.470 -3.245 0.559 1.00 0.00 C ATOM 193 C HIS A 460 0.682 -2.428 1.137 1.00 0.00 C ATOM 194 O HIS A 460 1.672 -2.983 1.611 1.00 0.00 O ATOM 195 CB HIS A 460 0.054 -4.193 -0.520 1.00 0.00 C ATOM 196 CG HIS A 460 -1.030 -4.912 -1.263 1.00 0.00 C ATOM 197 ND1 HIS A 460 -1.754 -5.952 -0.719 1.00 0.00 N ATOM 198 CD2 HIS A 460 -1.513 -4.734 -2.515 1.00 0.00 C ATOM 199 CE1 HIS A 460 -2.634 -6.383 -1.605 1.00 0.00 C ATOM 200 NE2 HIS A 460 -2.509 -5.661 -2.703 1.00 0.00 N ATOM 0 H HIS A 460 -1.430 -2.215 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 460 -0.916 -3.831 1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 460 0.655 -3.625 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 460 0.715 -4.927 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -1.178 -4.000 -3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 460 -3.337 -7.190 -1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 460 -3.062 -5.773 -3.553 1.00 0.00 H new ATOM 208 N GLU A 461 0.543 -1.106 1.092 1.00 0.00 N ATOM 209 CA GLU A 461 1.573 -0.213 1.610 1.00 0.00 C ATOM 210 C GLU A 461 1.334 0.097 3.085 1.00 0.00 C ATOM 211 O GLU A 461 2.268 0.113 3.887 1.00 0.00 O ATOM 212 CB GLU A 461 1.605 1.086 0.803 1.00 0.00 C ATOM 213 CG GLU A 461 1.972 0.887 -0.658 1.00 0.00 C ATOM 214 CD GLU A 461 0.764 0.602 -1.529 1.00 0.00 C ATOM 215 OE1 GLU A 461 0.358 -0.576 -1.615 1.00 0.00 O ATOM 216 OE2 GLU A 461 0.225 1.558 -2.125 1.00 0.00 O ATOM 0 H GLU A 461 -0.271 -0.631 0.703 1.00 0.00 H new ATOM 0 HA GLU A 461 2.535 -0.716 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 461 0.627 1.564 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 461 2.321 1.769 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 461 2.479 1.779 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 461 2.679 0.062 -0.742 1.00 0.00 H new ATOM 223 N CYS A 462 0.076 0.343 3.435 1.00 0.00 N ATOM 224 CA CYS A 462 -0.288 0.654 4.812 1.00 0.00 C ATOM 225 C CYS A 462 -1.327 -0.334 5.336 1.00 0.00 C ATOM 226 O CYS A 462 -1.316 -0.697 6.511 1.00 0.00 O ATOM 227 CB CYS A 462 -0.831 2.081 4.908 1.00 0.00 C ATOM 228 SG CYS A 462 -2.225 2.424 3.786 1.00 0.00 S ATOM 0 H CYS A 462 -0.709 0.333 2.784 1.00 0.00 H new ATOM 0 HA CYS A 462 0.609 0.572 5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.149 2.269 5.933 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.024 2.781 4.692 1.00 0.00 H new ATOM 233 N GLY A 463 -2.224 -0.765 4.454 1.00 0.00 N ATOM 234 CA GLY A 463 -3.257 -1.706 4.845 1.00 0.00 C ATOM 235 C GLY A 463 -4.636 -1.077 4.867 1.00 0.00 C ATOM 236 O GLY A 463 -5.541 -1.569 5.542 1.00 0.00 O ATOM 0 H GLY A 463 -2.253 -0.479 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.257 -2.549 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.027 -2.104 5.833 1.00 0.00 H new ATOM 240 N LYS A 464 -4.799 0.014 4.127 1.00 0.00 N ATOM 241 CA LYS A 464 -6.077 0.712 4.063 1.00 0.00 C ATOM 242 C LYS A 464 -6.929 0.184 2.913 1.00 0.00 C ATOM 243 O LYS A 464 -6.465 0.087 1.777 1.00 0.00 O ATOM 244 CB LYS A 464 -5.852 2.217 3.895 1.00 0.00 C ATOM 245 CG LYS A 464 -5.629 2.949 5.207 1.00 0.00 C ATOM 246 CD LYS A 464 -5.325 4.420 4.980 1.00 0.00 C ATOM 247 CE LYS A 464 -5.703 5.260 6.191 1.00 0.00 C ATOM 248 NZ LYS A 464 -5.017 6.582 6.184 1.00 0.00 N ATOM 0 H LYS A 464 -4.061 0.434 3.562 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.608 0.532 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -4.989 2.377 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.715 2.651 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.515 2.852 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -4.804 2.485 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -4.263 4.545 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -5.870 4.775 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -6.782 5.411 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -5.444 4.721 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -5.300 7.125 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -3.987 6.439 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -5.284 7.107 5.327 1.00 0.00 H new ATOM 262 N VAL A 465 -8.178 -0.155 3.215 1.00 0.00 N ATOM 263 CA VAL A 465 -9.096 -0.672 2.207 1.00 0.00 C ATOM 264 C VAL A 465 -9.982 0.437 1.651 1.00 0.00 C ATOM 265 O VAL A 465 -10.312 1.394 2.353 1.00 0.00 O ATOM 266 CB VAL A 465 -9.988 -1.789 2.779 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.822 -2.424 1.677 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.142 -2.835 3.489 1.00 0.00 C ATOM 0 H VAL A 465 -8.578 -0.081 4.150 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.485 -1.082 1.403 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.668 -1.349 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.446 -3.211 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.456 -1.666 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.162 -2.851 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -9.789 -3.617 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.436 -3.272 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.594 -2.366 4.306 1.00 0.00 H new ATOM 278 N PHE A 466 -10.365 0.303 0.386 1.00 0.00 N ATOM 279 CA PHE A 466 -11.214 1.294 -0.266 1.00 0.00 C ATOM 280 C PHE A 466 -12.395 0.625 -0.962 1.00 0.00 C ATOM 281 O PHE A 466 -12.566 -0.592 -0.887 1.00 0.00 O ATOM 282 CB PHE A 466 -10.402 2.104 -1.279 1.00 0.00 C ATOM 283 CG PHE A 466 -9.429 3.056 -0.644 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.822 4.336 -0.288 1.00 0.00 C ATOM 285 CD2 PHE A 466 -8.120 2.670 -0.402 1.00 0.00 C ATOM 286 CE1 PHE A 466 -8.928 5.213 0.295 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.221 3.543 0.182 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.627 4.816 0.532 1.00 0.00 C ATOM 0 H PHE A 466 -10.101 -0.482 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.600 1.966 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.856 1.418 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -11.086 2.666 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.839 4.652 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.798 1.675 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -9.247 6.209 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.203 3.230 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.928 5.500 0.990 1.00 0.00 H new ATOM 298 N ARG A 467 -13.209 1.430 -1.638 1.00 0.00 N ATOM 299 CA ARG A 467 -14.376 0.918 -2.346 1.00 0.00 C ATOM 300 C ARG A 467 -13.986 0.381 -3.720 1.00 0.00 C ATOM 301 O ARG A 467 -14.212 -0.789 -4.028 1.00 0.00 O ATOM 302 CB ARG A 467 -15.431 2.015 -2.495 1.00 0.00 C ATOM 303 CG ARG A 467 -16.403 2.089 -1.329 1.00 0.00 C ATOM 304 CD ARG A 467 -15.810 2.854 -0.157 1.00 0.00 C ATOM 305 NE ARG A 467 -16.629 2.734 1.046 1.00 0.00 N ATOM 306 CZ ARG A 467 -16.322 3.307 2.205 1.00 0.00 C ATOM 307 NH1 ARG A 467 -15.220 4.036 2.316 1.00 0.00 N ATOM 308 NH2 ARG A 467 -17.118 3.151 3.255 1.00 0.00 N ATOM 0 H ARG A 467 -13.081 2.439 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.794 0.099 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -14.930 2.977 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -15.992 1.845 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -17.324 2.573 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -16.668 1.081 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -14.807 2.481 0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -15.710 3.906 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 467 -17.484 2.180 0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -14.606 4.158 1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -14.986 4.475 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -17.966 2.591 3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -16.881 3.591 4.144 1.00 0.00 H new ATOM 322 N ARG A 468 -13.399 1.246 -4.542 1.00 0.00 N ATOM 323 CA ARG A 468 -12.980 0.860 -5.884 1.00 0.00 C ATOM 324 C ARG A 468 -11.509 1.196 -6.111 1.00 0.00 C ATOM 325 O ARG A 468 -10.888 1.887 -5.305 1.00 0.00 O ATOM 326 CB ARG A 468 -13.843 1.563 -6.933 1.00 0.00 C ATOM 327 CG ARG A 468 -13.548 3.047 -7.069 1.00 0.00 C ATOM 328 CD ARG A 468 -14.787 3.826 -7.481 1.00 0.00 C ATOM 329 NE ARG A 468 -15.485 3.193 -8.597 1.00 0.00 N ATOM 330 CZ ARG A 468 -15.119 3.331 -9.867 1.00 0.00 C ATOM 331 NH1 ARG A 468 -14.068 4.076 -10.179 1.00 0.00 N ATOM 332 NH2 ARG A 468 -15.805 2.723 -10.826 1.00 0.00 N ATOM 0 H ARG A 468 -13.203 2.218 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.108 -0.218 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.691 1.081 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -14.894 1.432 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -13.173 3.433 -6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -12.761 3.196 -7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -15.463 3.908 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -14.501 4.840 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 468 -16.298 2.613 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -13.539 4.545 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -13.789 4.181 -11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -16.614 2.149 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -15.523 2.830 -11.801 1.00 0.00 H new ATOM 346 N ASN A 469 -10.958 0.702 -7.215 1.00 0.00 N ATOM 347 CA ASN A 469 -9.560 0.949 -7.549 1.00 0.00 C ATOM 348 C ASN A 469 -9.256 2.444 -7.547 1.00 0.00 C ATOM 349 O ASN A 469 -8.249 2.883 -6.991 1.00 0.00 O ATOM 350 CB ASN A 469 -9.227 0.351 -8.917 1.00 0.00 C ATOM 351 CG ASN A 469 -7.843 0.743 -9.397 1.00 0.00 C ATOM 352 OD1 ASN A 469 -7.682 1.713 -10.138 1.00 0.00 O ATOM 353 ND2 ASN A 469 -6.835 -0.013 -8.977 1.00 0.00 N ATOM 0 H ASN A 469 -11.458 0.128 -7.894 1.00 0.00 H new ATOM 0 HA ASN A 469 -8.941 0.470 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -9.296 -0.735 -8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -9.968 0.681 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -5.881 0.201 -9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -7.015 -0.808 -8.363 1.00 0.00 H new ATOM 360 N SER A 470 -10.135 3.222 -8.171 1.00 0.00 N ATOM 361 CA SER A 470 -9.960 4.667 -8.245 1.00 0.00 C ATOM 362 C SER A 470 -9.732 5.258 -6.857 1.00 0.00 C ATOM 363 O SER A 470 -8.767 5.989 -6.631 1.00 0.00 O ATOM 364 CB SER A 470 -11.183 5.318 -8.894 1.00 0.00 C ATOM 365 OG SER A 470 -11.372 4.844 -10.216 1.00 0.00 O ATOM 0 H SER A 470 -10.976 2.875 -8.633 1.00 0.00 H new ATOM 0 HA SER A 470 -9.081 4.871 -8.857 1.00 0.00 H new ATOM 0 HB2 SER A 470 -12.071 5.106 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 470 -11.059 6.401 -8.907 1.00 0.00 H new ATOM 0 HG SER A 470 -11.934 5.475 -10.713 1.00 0.00 H new ATOM 371 N HIS A 471 -10.628 4.936 -5.929 1.00 0.00 N ATOM 372 CA HIS A 471 -10.525 5.434 -4.562 1.00 0.00 C ATOM 373 C HIS A 471 -9.166 5.090 -3.959 1.00 0.00 C ATOM 374 O HIS A 471 -8.668 5.797 -3.082 1.00 0.00 O ATOM 375 CB HIS A 471 -11.642 4.848 -3.698 1.00 0.00 C ATOM 376 CG HIS A 471 -13.010 5.314 -4.090 1.00 0.00 C ATOM 377 ND1 HIS A 471 -14.101 5.237 -3.251 1.00 0.00 N ATOM 378 CD2 HIS A 471 -13.461 5.868 -5.240 1.00 0.00 C ATOM 379 CE1 HIS A 471 -15.164 5.721 -3.868 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.802 6.111 -5.077 1.00 0.00 N ATOM 0 H HIS A 471 -11.433 4.333 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.627 6.519 -4.588 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.606 3.760 -3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -11.461 5.113 -2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.875 6.079 -6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -16.160 5.787 -3.454 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -15.419 6.525 -5.776 1.00 0.00 H new ATOM 388 N LEU A 472 -8.572 4.001 -4.434 1.00 0.00 N ATOM 389 CA LEU A 472 -7.271 3.562 -3.942 1.00 0.00 C ATOM 390 C LEU A 472 -6.142 4.281 -4.674 1.00 0.00 C ATOM 391 O LEU A 472 -5.076 4.521 -4.108 1.00 0.00 O ATOM 392 CB LEU A 472 -7.123 2.049 -4.111 1.00 0.00 C ATOM 393 CG LEU A 472 -5.764 1.461 -3.728 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.705 1.184 -2.234 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.492 0.190 -4.520 1.00 0.00 C ATOM 0 H LEU A 472 -8.971 3.405 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 472 -7.208 3.810 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.890 1.560 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.325 1.798 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.991 2.190 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.731 0.766 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.855 2.114 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.486 0.473 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.521 -0.215 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.269 -0.545 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.491 0.419 -5.586 1.00 0.00 H new ATOM 407 N ALA A 473 -6.385 4.623 -5.935 1.00 0.00 N ATOM 408 CA ALA A 473 -5.390 5.318 -6.743 1.00 0.00 C ATOM 409 C ALA A 473 -4.998 6.648 -6.107 1.00 0.00 C ATOM 410 O ALA A 473 -3.819 6.907 -5.865 1.00 0.00 O ATOM 411 CB ALA A 473 -5.917 5.540 -8.152 1.00 0.00 C ATOM 0 H ALA A 473 -7.262 4.430 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.498 4.693 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.164 6.060 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.140 4.578 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.825 6.142 -8.110 1.00 0.00 H new ATOM 417 N ARG A 474 -5.993 7.486 -5.839 1.00 0.00 N ATOM 418 CA ARG A 474 -5.751 8.790 -5.233 1.00 0.00 C ATOM 419 C ARG A 474 -4.987 8.646 -3.920 1.00 0.00 C ATOM 420 O ARG A 474 -4.263 9.553 -3.508 1.00 0.00 O ATOM 421 CB ARG A 474 -7.076 9.516 -4.988 1.00 0.00 C ATOM 422 CG ARG A 474 -7.670 10.139 -6.240 1.00 0.00 C ATOM 423 CD ARG A 474 -6.990 11.455 -6.584 1.00 0.00 C ATOM 424 NE ARG A 474 -7.476 12.010 -7.844 1.00 0.00 N ATOM 425 CZ ARG A 474 -7.242 13.257 -8.237 1.00 0.00 C ATOM 426 NH1 ARG A 474 -6.533 14.075 -7.472 1.00 0.00 N ATOM 427 NH2 ARG A 474 -7.718 13.688 -9.398 1.00 0.00 N ATOM 0 H ARG A 474 -6.974 7.286 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 474 -5.145 9.377 -5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.794 8.812 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.921 10.296 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -7.568 9.446 -7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -8.737 10.307 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -7.162 12.172 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -5.913 11.301 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 474 -8.025 11.407 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -6.165 13.747 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -6.355 15.032 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -8.264 13.062 -9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -7.538 14.646 -9.699 1.00 0.00 H new ATOM 441 N HIS A 475 -5.154 7.500 -3.267 1.00 0.00 N ATOM 442 CA HIS A 475 -4.480 7.237 -2.000 1.00 0.00 C ATOM 443 C HIS A 475 -3.024 6.845 -2.231 1.00 0.00 C ATOM 444 O HIS A 475 -2.144 7.206 -1.450 1.00 0.00 O ATOM 445 CB HIS A 475 -5.203 6.129 -1.234 1.00 0.00 C ATOM 446 CG HIS A 475 -4.472 5.674 -0.009 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.295 6.471 1.102 1.00 0.00 N ATOM 448 CD2 HIS A 475 -3.874 4.494 0.278 1.00 0.00 C ATOM 449 CE1 HIS A 475 -3.617 5.802 2.018 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.350 4.599 1.542 1.00 0.00 N ATOM 0 H HIS A 475 -5.750 6.739 -3.594 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.502 8.152 -1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.193 6.484 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.350 5.276 -1.897 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -4.634 7.428 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.819 3.630 -0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.330 6.175 2.990 1.00 0.00 H new ATOM 458 N GLN A 476 -2.778 6.105 -3.307 1.00 0.00 N ATOM 459 CA GLN A 476 -1.429 5.664 -3.639 1.00 0.00 C ATOM 460 C GLN A 476 -0.479 6.852 -3.747 1.00 0.00 C ATOM 461 O GLN A 476 0.729 6.714 -3.549 1.00 0.00 O ATOM 462 CB GLN A 476 -1.435 4.879 -4.952 1.00 0.00 C ATOM 463 CG GLN A 476 -1.657 3.387 -4.768 1.00 0.00 C ATOM 464 CD GLN A 476 -1.349 2.592 -6.022 1.00 0.00 C ATOM 465 OE1 GLN A 476 -1.902 2.856 -7.090 1.00 0.00 O ATOM 466 NE2 GLN A 476 -0.463 1.611 -5.898 1.00 0.00 N ATOM 0 H GLN A 476 -3.496 5.798 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 476 -1.079 5.014 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -2.216 5.277 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.486 5.036 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.030 3.028 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -2.692 3.211 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -0.029 1.427 -4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 476 -0.216 1.041 -6.707 1.00 0.00 H new ATOM 475 N LEU A 477 -1.031 8.018 -4.063 1.00 0.00 N ATOM 476 CA LEU A 477 -0.232 9.231 -4.198 1.00 0.00 C ATOM 477 C LEU A 477 0.585 9.488 -2.936 1.00 0.00 C ATOM 478 O LEU A 477 1.689 10.030 -2.999 1.00 0.00 O ATOM 479 CB LEU A 477 -1.136 10.431 -4.487 1.00 0.00 C ATOM 480 CG LEU A 477 -2.105 10.274 -5.659 1.00 0.00 C ATOM 481 CD1 LEU A 477 -2.972 11.515 -5.806 1.00 0.00 C ATOM 482 CD2 LEU A 477 -1.344 9.997 -6.947 1.00 0.00 C ATOM 0 H LEU A 477 -2.029 8.149 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 477 0.456 9.093 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.715 10.649 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.504 11.299 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.756 9.424 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -3.655 11.384 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.546 11.669 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -2.338 12.383 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.050 9.888 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -0.668 10.826 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.768 9.078 -6.839 1.00 0.00 H new ATOM 494 N ILE A 478 0.037 9.094 -1.791 1.00 0.00 N ATOM 495 CA ILE A 478 0.716 9.279 -0.515 1.00 0.00 C ATOM 496 C ILE A 478 1.953 8.392 -0.418 1.00 0.00 C ATOM 497 O ILE A 478 2.905 8.712 0.295 1.00 0.00 O ATOM 498 CB ILE A 478 -0.218 8.970 0.670 1.00 0.00 C ATOM 499 CG1 ILE A 478 0.327 9.598 1.954 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.381 7.467 0.838 1.00 0.00 C ATOM 501 CD1 ILE A 478 -0.721 9.781 3.029 1.00 0.00 C ATOM 0 H ILE A 478 -0.876 8.644 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 478 1.017 10.326 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.197 9.401 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.129 8.971 2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 478 0.766 10.567 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.044 7.265 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.809 7.044 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.593 7.014 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -0.264 10.231 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.513 10.432 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.143 8.812 3.294 1.00 0.00 H new ATOM 513 N HIS A 479 1.934 7.277 -1.141 1.00 0.00 N ATOM 514 CA HIS A 479 3.055 6.344 -1.138 1.00 0.00 C ATOM 515 C HIS A 479 4.007 6.636 -2.294 1.00 0.00 C ATOM 516 O HIS A 479 5.173 6.970 -2.084 1.00 0.00 O ATOM 517 CB HIS A 479 2.549 4.905 -1.229 1.00 0.00 C ATOM 518 CG HIS A 479 1.648 4.514 -0.099 1.00 0.00 C ATOM 519 ND1 HIS A 479 2.088 4.370 1.200 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.322 4.239 -0.077 1.00 0.00 C ATOM 521 CE1 HIS A 479 1.073 4.021 1.971 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.010 3.936 1.220 1.00 0.00 N ATOM 0 H HIS A 479 1.155 6.997 -1.737 1.00 0.00 H new ATOM 0 HA HIS A 479 3.599 6.470 -0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.015 4.775 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.404 4.229 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 479 3.047 4.511 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.349 4.255 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 479 1.121 3.837 3.034 1.00 0.00 H new ATOM 530 N THR A 480 3.502 6.506 -3.517 1.00 0.00 N ATOM 531 CA THR A 480 4.307 6.753 -4.707 1.00 0.00 C ATOM 532 C THR A 480 3.814 7.985 -5.458 1.00 0.00 C ATOM 533 O THR A 480 2.620 8.281 -5.468 1.00 0.00 O ATOM 534 CB THR A 480 4.287 5.543 -5.660 1.00 0.00 C ATOM 535 OG1 THR A 480 5.208 5.752 -6.736 1.00 0.00 O ATOM 536 CG2 THR A 480 2.890 5.316 -6.218 1.00 0.00 C ATOM 0 H THR A 480 2.539 6.231 -3.709 1.00 0.00 H new ATOM 0 HA THR A 480 5.329 6.922 -4.368 1.00 0.00 H new ATOM 0 HB THR A 480 4.583 4.659 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 480 5.191 4.978 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 480 2.901 4.456 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 480 2.197 5.128 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 480 2.570 6.201 -6.768 1.00 0.00 H new ATOM 544 N GLY A 481 4.743 8.700 -6.086 1.00 0.00 N ATOM 545 CA GLY A 481 4.382 9.891 -6.832 1.00 0.00 C ATOM 546 C GLY A 481 5.585 10.567 -7.461 1.00 0.00 C ATOM 547 O GLY A 481 6.548 9.904 -7.841 1.00 0.00 O ATOM 0 H GLY A 481 5.738 8.476 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 481 3.669 9.625 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 481 3.880 10.594 -6.168 1.00 0.00 H new ATOM 551 N GLU A 482 5.527 11.891 -7.572 1.00 0.00 N ATOM 552 CA GLU A 482 6.619 12.655 -8.162 1.00 0.00 C ATOM 553 C GLU A 482 6.965 13.865 -7.298 1.00 0.00 C ATOM 554 O GLU A 482 6.114 14.397 -6.585 1.00 0.00 O ATOM 555 CB GLU A 482 6.247 13.113 -9.574 1.00 0.00 C ATOM 556 CG GLU A 482 5.082 14.088 -9.610 1.00 0.00 C ATOM 557 CD GLU A 482 3.743 13.405 -9.404 1.00 0.00 C ATOM 558 OE1 GLU A 482 3.273 12.728 -10.341 1.00 0.00 O ATOM 559 OE2 GLU A 482 3.167 13.549 -8.305 1.00 0.00 O ATOM 0 H GLU A 482 4.736 12.455 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 482 7.493 12.007 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 482 7.116 13.581 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 482 5.998 12.239 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 482 5.222 14.845 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 482 5.077 14.607 -10.568 1.00 0.00 H new ATOM 566 N LYS A 483 8.221 14.294 -7.367 1.00 0.00 N ATOM 567 CA LYS A 483 8.682 15.441 -6.593 1.00 0.00 C ATOM 568 C LYS A 483 9.398 16.448 -7.487 1.00 0.00 C ATOM 569 O LYS A 483 10.616 16.616 -7.422 1.00 0.00 O ATOM 570 CB LYS A 483 9.617 14.983 -5.472 1.00 0.00 C ATOM 571 CG LYS A 483 10.697 14.021 -5.936 1.00 0.00 C ATOM 572 CD LYS A 483 11.501 13.479 -4.766 1.00 0.00 C ATOM 573 CE LYS A 483 12.716 12.696 -5.239 1.00 0.00 C ATOM 574 NZ LYS A 483 12.362 11.302 -5.624 1.00 0.00 N ATOM 0 H LYS A 483 8.938 13.864 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 483 7.810 15.926 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 483 10.089 15.857 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 483 9.027 14.504 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 483 10.240 13.194 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 483 11.364 14.529 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 483 11.823 14.304 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 483 10.868 12.836 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 483 13.167 13.205 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 483 13.465 12.675 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 13.217 10.802 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 11.955 10.808 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 11.666 11.321 -6.397 1.00 0.00 H new ATOM 588 N PRO A 484 8.626 17.136 -8.342 1.00 0.00 N ATOM 589 CA PRO A 484 9.166 18.140 -9.263 1.00 0.00 C ATOM 590 C PRO A 484 9.649 19.392 -8.539 1.00 0.00 C ATOM 591 O PRO A 484 8.848 20.160 -8.007 1.00 0.00 O ATOM 592 CB PRO A 484 7.974 18.471 -10.165 1.00 0.00 C ATOM 593 CG PRO A 484 6.775 18.151 -9.340 1.00 0.00 C ATOM 594 CD PRO A 484 7.167 16.987 -8.473 1.00 0.00 C ATOM 0 HA PRO A 484 10.038 17.770 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 484 7.982 19.520 -10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 484 7.994 17.880 -11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 484 6.479 19.007 -8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 484 5.923 17.898 -9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 484 6.671 17.023 -7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 484 6.900 16.035 -8.933 1.00 0.00 H new ATOM 602 N SER A 485 10.963 19.590 -8.523 1.00 0.00 N ATOM 603 CA SER A 485 11.553 20.748 -7.861 1.00 0.00 C ATOM 604 C SER A 485 11.143 20.801 -6.392 1.00 0.00 C ATOM 605 O SER A 485 10.989 21.878 -5.818 1.00 0.00 O ATOM 606 CB SER A 485 11.130 22.037 -8.567 1.00 0.00 C ATOM 607 OG SER A 485 11.203 21.895 -9.975 1.00 0.00 O ATOM 0 H SER A 485 11.639 18.964 -8.961 1.00 0.00 H new ATOM 0 HA SER A 485 12.637 20.653 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 485 10.112 22.297 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 485 11.772 22.858 -8.247 1.00 0.00 H new ATOM 0 HG SER A 485 10.926 22.732 -10.403 1.00 0.00 H new ATOM 613 N GLY A 486 10.969 19.628 -5.790 1.00 0.00 N ATOM 614 CA GLY A 486 10.579 19.562 -4.394 1.00 0.00 C ATOM 615 C GLY A 486 11.733 19.185 -3.486 1.00 0.00 C ATOM 616 O GLY A 486 12.895 19.181 -3.893 1.00 0.00 O ATOM 0 H GLY A 486 11.091 18.723 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 486 10.179 20.528 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 486 9.777 18.833 -4.278 1.00 0.00 H new ATOM 620 N PRO A 487 11.417 18.861 -2.224 1.00 0.00 N ATOM 621 CA PRO A 487 12.423 18.477 -1.229 1.00 0.00 C ATOM 622 C PRO A 487 13.042 17.116 -1.527 1.00 0.00 C ATOM 623 O PRO A 487 12.350 16.186 -1.942 1.00 0.00 O ATOM 624 CB PRO A 487 11.629 18.429 0.078 1.00 0.00 C ATOM 625 CG PRO A 487 10.224 18.162 -0.341 1.00 0.00 C ATOM 626 CD PRO A 487 10.052 18.845 -1.670 1.00 0.00 C ATOM 0 HA PRO A 487 13.262 19.172 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 487 12.001 17.646 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 487 11.707 19.369 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 487 10.039 17.091 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 487 9.517 18.551 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 487 9.363 18.301 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 487 9.653 19.853 -1.555 1.00 0.00 H new ATOM 634 N SER A 488 14.349 17.005 -1.313 1.00 0.00 N ATOM 635 CA SER A 488 15.062 15.758 -1.562 1.00 0.00 C ATOM 636 C SER A 488 15.508 15.117 -0.251 1.00 0.00 C ATOM 637 O SER A 488 15.394 13.904 -0.070 1.00 0.00 O ATOM 638 CB SER A 488 16.275 16.010 -2.458 1.00 0.00 C ATOM 639 OG SER A 488 17.067 14.841 -2.586 1.00 0.00 O ATOM 0 H SER A 488 14.936 17.764 -0.967 1.00 0.00 H new ATOM 0 HA SER A 488 14.381 15.073 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 488 15.942 16.337 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 488 16.877 16.817 -2.041 1.00 0.00 H new ATOM 0 HG SER A 488 17.835 15.028 -3.165 1.00 0.00 H new ATOM 645 N SER A 489 16.016 15.940 0.660 1.00 0.00 N ATOM 646 CA SER A 489 16.484 15.454 1.953 1.00 0.00 C ATOM 647 C SER A 489 17.492 14.322 1.776 1.00 0.00 C ATOM 648 O SER A 489 17.551 13.396 2.584 1.00 0.00 O ATOM 649 CB SER A 489 15.302 14.972 2.798 1.00 0.00 C ATOM 650 OG SER A 489 14.962 13.633 2.482 1.00 0.00 O ATOM 0 H SER A 489 16.114 16.947 0.527 1.00 0.00 H new ATOM 0 HA SER A 489 16.977 16.279 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 489 15.553 15.047 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 489 14.441 15.619 2.628 1.00 0.00 H new ATOM 0 HG SER A 489 15.054 13.491 1.517 1.00 0.00 H new ATOM 656 N GLY A 490 18.285 14.406 0.712 1.00 0.00 N ATOM 657 CA GLY A 490 19.280 13.384 0.447 1.00 0.00 C ATOM 658 C GLY A 490 18.862 12.442 -0.665 1.00 0.00 C ATOM 659 O GLY A 490 19.502 12.434 -1.715 1.00 0.00 O ATOM 0 H GLY A 490 18.256 15.163 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 490 20.223 13.860 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 490 19.459 12.811 1.357 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.851 3.145 1.738 1.00 0.00 ZN