USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 325 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 Set 1.1: A 471 LYS NZ :NH3+ -114:sc= 0.418 (180deg=0) USER MOD Set 1.2: A 472 TYR OH : rot -75:sc= 1.6 USER MOD Set 2.1: A 459 HIS : no HD1:sc= -0.523 X(o=-3,f=-2.6) USER MOD Set 2.2: A 467 CYS SG : rot 24:sc= -2.2! USER MOD Set 2.3: A 469 CYS SG : rot -91:sc= -0.312 USER MOD Set 3.1: A 462 ASN : amide:sc= -2.26! C(o=-2.5!,f=-8!) USER MOD Set 3.2: A 474 ASN : amide:sc= -0.245 K(o=-2.5,f=-7.2!) USER MOD Set 4.1: A 447 HIS : no HE2:sc= -0.885 K(o=-3,f=-4.1!) USER MOD Set 4.2: A 449 HIS : no HD1:sc= -1.56 X(o=-3,f=-2.5) USER MOD Set 4.3: A 455 CYS SG : rot 111:sc= -0.483 USER MOD Set 4.4: A 485 HIS : no HE2:sc= -0.0713 K(o=-3,f=-3.6) USER MOD Single : A 446 THR OG1 : rot 20:sc= 0.158 USER MOD Single : A 463 SER OG : rot 4:sc= 0.953 USER MOD Single : A 476 LYS NZ :NH3+ 166:sc= -0.0136 (180deg=-0.172) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -136:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 -0.761 -7.209 -4.481 1.00 0.00 N ATOM 22 CA THR A 446 0.359 -6.784 -3.641 1.00 0.00 C ATOM 23 C THR A 446 0.167 -5.327 -3.202 1.00 0.00 C ATOM 24 O THR A 446 -0.096 -4.452 -4.029 1.00 0.00 O ATOM 25 CB THR A 446 1.710 -6.951 -4.375 1.00 0.00 C ATOM 26 OG1 THR A 446 1.809 -8.280 -4.902 1.00 0.00 O ATOM 27 CG2 THR A 446 2.880 -6.692 -3.446 1.00 0.00 C ATOM 0 HA THR A 446 0.379 -7.423 -2.758 1.00 0.00 H new ATOM 0 HB THR A 446 1.747 -6.222 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 446 0.914 -8.672 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.814 -6.818 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.820 -5.674 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.848 -7.397 -2.616 1.00 0.00 H new ATOM 35 N HIS A 447 0.270 -5.067 -1.902 1.00 0.00 N ATOM 36 CA HIS A 447 -0.020 -3.737 -1.389 1.00 0.00 C ATOM 37 C HIS A 447 1.261 -2.939 -1.165 1.00 0.00 C ATOM 38 O HIS A 447 2.299 -3.485 -0.670 1.00 0.00 O ATOM 39 CB HIS A 447 -0.885 -3.797 -0.117 1.00 0.00 C ATOM 40 CG HIS A 447 -0.169 -4.157 1.158 1.00 0.00 C ATOM 41 ND1 HIS A 447 0.147 -5.445 1.539 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.253 -3.354 2.172 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.734 -5.383 2.746 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.818 -4.140 3.168 1.00 0.00 N ATOM 0 H HIS A 447 0.548 -5.749 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.602 -3.212 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.361 -2.826 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -1.682 -4.523 -0.279 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -0.033 -6.293 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.163 -2.278 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 447 1.090 -6.241 3.297 1.00 0.00 H new ATOM 52 N ARG A 448 1.164 -1.639 -1.410 1.00 0.00 N ATOM 53 CA ARG A 448 2.325 -0.764 -1.418 1.00 0.00 C ATOM 54 C ARG A 448 2.638 -0.233 -0.025 1.00 0.00 C ATOM 55 O ARG A 448 1.775 -0.198 0.856 1.00 0.00 O ATOM 56 CB ARG A 448 2.091 0.412 -2.371 1.00 0.00 C ATOM 57 CG ARG A 448 1.549 -0.003 -3.729 1.00 0.00 C ATOM 58 CD ARG A 448 1.352 1.187 -4.651 1.00 0.00 C ATOM 59 NE ARG A 448 2.598 1.613 -5.288 1.00 0.00 N ATOM 60 CZ ARG A 448 2.819 1.576 -6.604 1.00 0.00 C ATOM 61 NH1 ARG A 448 1.921 1.038 -7.418 1.00 0.00 N ATOM 62 NH2 ARG A 448 3.952 2.054 -7.094 1.00 0.00 N ATOM 0 H ARG A 448 0.283 -1.165 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 448 3.177 -1.352 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.393 1.110 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 448 3.030 0.947 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.236 -0.711 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.599 -0.521 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 448 0.624 0.930 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 448 0.935 2.018 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 448 3.346 1.961 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 448 1.057 0.650 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 448 2.094 1.012 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 448 4.653 2.449 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 448 4.124 2.027 -8.099 1.00 0.00 H new ATOM 76 N HIS A 449 3.882 0.174 0.162 1.00 0.00 N ATOM 77 CA HIS A 449 4.324 0.773 1.410 1.00 0.00 C ATOM 78 C HIS A 449 5.107 2.042 1.150 1.00 0.00 C ATOM 79 O HIS A 449 6.042 2.044 0.355 1.00 0.00 O ATOM 80 CB HIS A 449 5.208 -0.198 2.190 1.00 0.00 C ATOM 81 CG HIS A 449 4.503 -0.909 3.292 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.054 -1.142 4.530 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.270 -1.458 3.323 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.154 -1.816 5.254 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.052 -2.032 4.568 1.00 0.00 N ATOM 0 H HIS A 449 4.613 0.099 -0.545 1.00 0.00 H new ATOM 0 HA HIS A 449 3.434 1.008 1.994 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.617 -0.935 1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.052 0.351 2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.563 -1.452 2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.311 -2.141 6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 449 2.214 -2.519 4.885 1.00 0.00 H new ATOM 93 N ILE A 450 4.719 3.120 1.799 1.00 0.00 N ATOM 94 CA ILE A 450 5.529 4.319 1.791 1.00 0.00 C ATOM 95 C ILE A 450 6.711 4.101 2.726 1.00 0.00 C ATOM 96 O ILE A 450 6.507 3.758 3.885 1.00 0.00 O ATOM 97 CB ILE A 450 4.734 5.554 2.266 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.448 5.710 1.457 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.588 6.808 2.158 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.537 6.810 1.966 1.00 0.00 C ATOM 0 H ILE A 450 3.854 3.190 2.335 1.00 0.00 H new ATOM 0 HA ILE A 450 5.858 4.508 0.769 1.00 0.00 H new ATOM 0 HB ILE A 450 4.464 5.408 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.706 5.916 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.904 4.765 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 450 5.013 7.670 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.477 6.698 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.887 6.956 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.645 6.861 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.249 6.596 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.062 7.764 1.927 1.00 0.00 H new ATOM 112 N ARG A 451 7.932 4.245 2.218 1.00 0.00 N ATOM 113 CA ARG A 451 9.131 4.076 3.039 1.00 0.00 C ATOM 114 C ARG A 451 9.065 4.927 4.308 1.00 0.00 C ATOM 115 O ARG A 451 9.250 6.146 4.265 1.00 0.00 O ATOM 116 CB ARG A 451 10.379 4.423 2.229 1.00 0.00 C ATOM 117 CG ARG A 451 10.763 3.353 1.220 1.00 0.00 C ATOM 118 CD ARG A 451 11.993 3.742 0.420 1.00 0.00 C ATOM 119 NE ARG A 451 12.508 2.616 -0.357 1.00 0.00 N ATOM 120 CZ ARG A 451 13.353 2.731 -1.381 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.745 3.924 -1.809 1.00 0.00 N ATOM 122 NH2 ARG A 451 13.815 1.643 -1.977 1.00 0.00 N ATOM 0 H ARG A 451 8.119 4.478 1.243 1.00 0.00 H new ATOM 0 HA ARG A 451 9.184 3.031 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 451 10.212 5.363 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 451 11.213 4.583 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.951 2.414 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.929 3.179 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.746 4.565 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.768 4.103 1.096 1.00 0.00 H new ATOM 0 HE ARG A 451 12.200 1.679 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.399 4.768 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.392 3.997 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 451 13.524 0.721 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 451 14.462 1.727 -2.761 1.00 0.00 H new ATOM 136 N GLY A 452 8.797 4.271 5.430 1.00 0.00 N ATOM 137 CA GLY A 452 8.633 4.966 6.691 1.00 0.00 C ATOM 138 C GLY A 452 7.301 4.637 7.338 1.00 0.00 C ATOM 139 O GLY A 452 7.102 4.859 8.535 1.00 0.00 O ATOM 0 H GLY A 452 8.689 3.258 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.444 4.693 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.703 6.041 6.527 1.00 0.00 H new ATOM 143 N GLU A 453 6.396 4.096 6.538 1.00 0.00 N ATOM 144 CA GLU A 453 5.073 3.719 7.004 1.00 0.00 C ATOM 145 C GLU A 453 5.074 2.273 7.493 1.00 0.00 C ATOM 146 O GLU A 453 5.706 1.399 6.890 1.00 0.00 O ATOM 147 CB GLU A 453 4.055 3.893 5.872 1.00 0.00 C ATOM 148 CG GLU A 453 2.633 3.520 6.258 1.00 0.00 C ATOM 149 CD GLU A 453 2.051 4.458 7.294 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.456 5.486 6.904 1.00 0.00 O ATOM 151 OE2 GLU A 453 2.186 4.166 8.503 1.00 0.00 O ATOM 0 H GLU A 453 6.558 3.906 5.549 1.00 0.00 H new ATOM 0 HA GLU A 453 4.795 4.365 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.070 4.931 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.363 3.282 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.003 3.530 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.620 2.501 6.646 1.00 0.00 H new ATOM 158 N ALA A 454 4.364 2.030 8.582 1.00 0.00 N ATOM 159 CA ALA A 454 4.261 0.690 9.145 1.00 0.00 C ATOM 160 C ALA A 454 3.308 -0.159 8.313 1.00 0.00 C ATOM 161 O ALA A 454 3.595 -1.320 8.012 1.00 0.00 O ATOM 162 CB ALA A 454 3.805 0.751 10.594 1.00 0.00 C ATOM 0 H ALA A 454 3.848 2.744 9.097 1.00 0.00 H new ATOM 0 HA ALA A 454 5.247 0.226 9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.734 -0.260 10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.525 1.324 11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.828 1.232 10.648 1.00 0.00 H new ATOM 168 N CYS A 455 2.174 0.432 7.945 1.00 0.00 N ATOM 169 CA CYS A 455 1.237 -0.185 7.018 1.00 0.00 C ATOM 170 C CYS A 455 0.053 0.752 6.781 1.00 0.00 C ATOM 171 O CYS A 455 -0.692 1.062 7.708 1.00 0.00 O ATOM 172 CB CYS A 455 0.742 -1.540 7.543 1.00 0.00 C ATOM 173 SG CYS A 455 -0.055 -2.568 6.274 1.00 0.00 S ATOM 0 H CYS A 455 1.882 1.350 8.281 1.00 0.00 H new ATOM 0 HA CYS A 455 1.755 -0.362 6.076 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.586 -2.087 7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.036 -1.369 8.356 1.00 0.00 H new ATOM 0 HG CYS A 455 0.699 -3.594 6.010 1.00 0.00 H new ATOM 178 N PRO A 456 -0.122 1.229 5.535 1.00 0.00 N ATOM 179 CA PRO A 456 -1.224 2.138 5.170 1.00 0.00 C ATOM 180 C PRO A 456 -2.607 1.494 5.271 1.00 0.00 C ATOM 181 O PRO A 456 -3.625 2.188 5.187 1.00 0.00 O ATOM 182 CB PRO A 456 -0.933 2.499 3.708 1.00 0.00 C ATOM 183 CG PRO A 456 0.487 2.122 3.479 1.00 0.00 C ATOM 184 CD PRO A 456 0.764 0.969 4.393 1.00 0.00 C ATOM 0 HA PRO A 456 -1.259 2.990 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.596 1.960 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -1.090 3.562 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.653 1.843 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.152 2.958 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.539 0.014 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.811 0.936 4.694 1.00 0.00 H new ATOM 192 N LEU A 457 -2.640 0.172 5.448 1.00 0.00 N ATOM 193 CA LEU A 457 -3.902 -0.563 5.543 1.00 0.00 C ATOM 194 C LEU A 457 -4.741 -0.048 6.715 1.00 0.00 C ATOM 195 O LEU A 457 -4.192 0.458 7.697 1.00 0.00 O ATOM 196 CB LEU A 457 -3.638 -2.067 5.689 1.00 0.00 C ATOM 197 CG LEU A 457 -3.025 -2.747 4.460 1.00 0.00 C ATOM 198 CD1 LEU A 457 -2.736 -4.213 4.753 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.954 -2.618 3.259 1.00 0.00 C ATOM 0 H LEU A 457 -1.807 -0.411 5.528 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.464 -0.399 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -2.973 -2.222 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.579 -2.563 5.926 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.085 -2.249 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.301 -4.682 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.036 -4.287 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.664 -4.722 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.502 -3.107 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -4.909 -3.092 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.116 -1.563 3.036 1.00 0.00 H new ATOM 211 N PRO A 458 -6.080 -0.180 6.644 1.00 0.00 N ATOM 212 CA PRO A 458 -6.773 -0.888 5.559 1.00 0.00 C ATOM 213 C PRO A 458 -6.958 -0.049 4.291 1.00 0.00 C ATOM 214 O PRO A 458 -7.802 -0.366 3.449 1.00 0.00 O ATOM 215 CB PRO A 458 -8.126 -1.211 6.184 1.00 0.00 C ATOM 216 CG PRO A 458 -8.380 -0.085 7.123 1.00 0.00 C ATOM 217 CD PRO A 458 -7.030 0.348 7.642 1.00 0.00 C ATOM 0 HA PRO A 458 -6.205 -1.754 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.907 -1.280 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.104 -2.167 6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.884 0.738 6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.028 -0.400 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.962 1.433 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.834 -0.059 8.634 1.00 0.00 H new ATOM 225 N HIS A 459 -6.174 1.012 4.151 1.00 0.00 N ATOM 226 CA HIS A 459 -6.214 1.816 2.943 1.00 0.00 C ATOM 227 C HIS A 459 -5.231 1.274 1.923 1.00 0.00 C ATOM 228 O HIS A 459 -4.187 0.724 2.274 1.00 0.00 O ATOM 229 CB HIS A 459 -5.922 3.292 3.241 1.00 0.00 C ATOM 230 CG HIS A 459 -6.967 3.936 4.096 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.143 4.422 3.561 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.978 4.105 5.437 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.837 4.856 4.597 1.00 0.00 C ATOM 234 NE2 HIS A 459 -8.176 4.686 5.754 1.00 0.00 N ATOM 0 H HIS A 459 -5.508 1.332 4.855 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.221 1.757 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.955 3.372 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.843 3.838 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -6.192 3.834 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.821 5.296 4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.503 4.940 6.686 1.00 0.00 H new ATOM 242 N ARG A 460 -5.572 1.437 0.661 1.00 0.00 N ATOM 243 CA ARG A 460 -4.787 0.860 -0.414 1.00 0.00 C ATOM 244 C ARG A 460 -4.300 1.954 -1.347 1.00 0.00 C ATOM 245 O ARG A 460 -5.100 2.694 -1.916 1.00 0.00 O ATOM 246 CB ARG A 460 -5.617 -0.152 -1.202 1.00 0.00 C ATOM 247 CG ARG A 460 -4.797 -0.990 -2.164 1.00 0.00 C ATOM 248 CD ARG A 460 -5.689 -1.817 -3.073 1.00 0.00 C ATOM 249 NE ARG A 460 -6.618 -2.660 -2.323 1.00 0.00 N ATOM 250 CZ ARG A 460 -7.390 -3.588 -2.884 1.00 0.00 C ATOM 251 NH1 ARG A 460 -7.340 -3.797 -4.196 1.00 0.00 N ATOM 252 NH2 ARG A 460 -8.228 -4.296 -2.136 1.00 0.00 N ATOM 0 H ARG A 460 -6.389 1.965 0.353 1.00 0.00 H new ATOM 0 HA ARG A 460 -3.930 0.348 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.129 -0.813 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.387 0.379 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -4.163 -0.340 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -4.135 -1.649 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -6.253 -1.152 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -5.069 -2.444 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.678 -2.530 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -6.708 -3.245 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -7.933 -4.509 -4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -8.280 -4.129 -1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -8.819 -5.007 -2.566 1.00 0.00 H new ATOM 266 N LEU A 461 -2.991 2.051 -1.493 1.00 0.00 N ATOM 267 CA LEU A 461 -2.381 3.064 -2.343 1.00 0.00 C ATOM 268 C LEU A 461 -2.582 2.729 -3.817 1.00 0.00 C ATOM 269 O LEU A 461 -1.977 1.794 -4.342 1.00 0.00 O ATOM 270 CB LEU A 461 -0.889 3.201 -2.016 1.00 0.00 C ATOM 271 CG LEU A 461 -0.550 4.097 -0.814 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.344 3.701 0.421 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.934 4.026 -0.511 1.00 0.00 C ATOM 0 H LEU A 461 -2.322 1.435 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.869 4.019 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.484 2.206 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.378 3.594 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 461 -0.821 5.119 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.078 4.356 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.410 3.793 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.114 2.669 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.162 4.665 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.209 2.997 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 461 1.499 4.365 -1.379 1.00 0.00 H new ATOM 285 N ASN A 462 -3.435 3.508 -4.472 1.00 0.00 N ATOM 286 CA ASN A 462 -3.775 3.297 -5.877 1.00 0.00 C ATOM 287 C ASN A 462 -2.644 3.746 -6.799 1.00 0.00 C ATOM 288 O ASN A 462 -2.767 4.745 -7.504 1.00 0.00 O ATOM 289 CB ASN A 462 -5.083 4.018 -6.246 1.00 0.00 C ATOM 290 CG ASN A 462 -5.176 5.429 -5.679 1.00 0.00 C ATOM 291 OD1 ASN A 462 -5.763 5.644 -4.618 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.599 6.395 -6.377 1.00 0.00 N ATOM 0 H ASN A 462 -3.911 4.303 -4.046 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.921 2.226 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -5.170 4.064 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.927 3.432 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -4.632 7.357 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.122 6.177 -7.252 1.00 0.00 H new ATOM 299 N SER A 463 -1.540 2.999 -6.745 1.00 0.00 N ATOM 300 CA SER A 463 -0.345 3.182 -7.590 1.00 0.00 C ATOM 301 C SER A 463 0.384 4.520 -7.367 1.00 0.00 C ATOM 302 O SER A 463 1.610 4.554 -7.329 1.00 0.00 O ATOM 303 CB SER A 463 -0.664 2.966 -9.087 1.00 0.00 C ATOM 304 OG SER A 463 -1.595 3.907 -9.591 1.00 0.00 O ATOM 0 H SER A 463 -1.444 2.222 -6.091 1.00 0.00 H new ATOM 0 HA SER A 463 0.351 2.407 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.259 3.030 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 463 -1.059 1.960 -9.228 1.00 0.00 H new ATOM 0 HG SER A 463 -1.812 4.559 -8.892 1.00 0.00 H new ATOM 310 N LEU A 464 -0.354 5.602 -7.181 1.00 0.00 N ATOM 311 CA LEU A 464 0.238 6.934 -7.178 1.00 0.00 C ATOM 312 C LEU A 464 0.714 7.355 -5.785 1.00 0.00 C ATOM 313 O LEU A 464 0.966 8.533 -5.538 1.00 0.00 O ATOM 314 CB LEU A 464 -0.774 7.936 -7.730 1.00 0.00 C ATOM 315 CG LEU A 464 -1.389 7.551 -9.084 1.00 0.00 C ATOM 316 CD1 LEU A 464 -2.296 8.656 -9.594 1.00 0.00 C ATOM 317 CD2 LEU A 464 -0.304 7.234 -10.108 1.00 0.00 C ATOM 0 H LEU A 464 -1.363 5.587 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 464 1.122 6.914 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.577 8.057 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.286 8.906 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.988 6.652 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -2.721 8.364 -10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -3.100 8.827 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.719 9.573 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -0.767 6.965 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 464 0.330 8.109 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 464 0.302 6.401 -9.750 1.00 0.00 H new ATOM 329 N GLY A 465 0.845 6.390 -4.885 1.00 0.00 N ATOM 330 CA GLY A 465 1.407 6.667 -3.571 1.00 0.00 C ATOM 331 C GLY A 465 0.389 7.179 -2.568 1.00 0.00 C ATOM 332 O GLY A 465 0.756 7.720 -1.525 1.00 0.00 O ATOM 0 H GLY A 465 0.573 5.419 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.862 5.757 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 465 2.204 7.403 -3.674 1.00 0.00 H new ATOM 336 N GLY A 466 -0.885 7.010 -2.877 1.00 0.00 N ATOM 337 CA GLY A 466 -1.931 7.423 -1.963 1.00 0.00 C ATOM 338 C GLY A 466 -3.214 6.679 -2.241 1.00 0.00 C ATOM 339 O GLY A 466 -3.258 5.858 -3.152 1.00 0.00 O ATOM 0 H GLY A 466 -1.216 6.593 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -1.615 7.240 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.100 8.496 -2.058 1.00 0.00 H new ATOM 343 N CYS A 467 -4.254 6.946 -1.465 1.00 0.00 N ATOM 344 CA CYS A 467 -5.540 6.308 -1.694 1.00 0.00 C ATOM 345 C CYS A 467 -6.640 7.358 -1.750 1.00 0.00 C ATOM 346 O CYS A 467 -6.890 8.079 -0.777 1.00 0.00 O ATOM 347 CB CYS A 467 -5.842 5.254 -0.623 1.00 0.00 C ATOM 348 SG CYS A 467 -6.243 5.912 1.021 1.00 0.00 S ATOM 0 H CYS A 467 -4.233 7.594 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.499 5.792 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.676 4.641 -0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.979 4.595 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 467 -6.687 7.128 0.905 1.00 0.00 H new ATOM 353 N ARG A 468 -7.282 7.447 -2.896 1.00 0.00 N ATOM 354 CA ARG A 468 -8.329 8.425 -3.120 1.00 0.00 C ATOM 355 C ARG A 468 -9.569 8.107 -2.288 1.00 0.00 C ATOM 356 O ARG A 468 -10.381 7.263 -2.650 1.00 0.00 O ATOM 357 CB ARG A 468 -8.674 8.472 -4.604 1.00 0.00 C ATOM 358 CG ARG A 468 -7.510 8.929 -5.468 1.00 0.00 C ATOM 359 CD ARG A 468 -7.220 10.409 -5.273 1.00 0.00 C ATOM 360 NE ARG A 468 -8.287 11.239 -5.828 1.00 0.00 N ATOM 361 CZ ARG A 468 -8.350 12.565 -5.726 1.00 0.00 C ATOM 362 NH1 ARG A 468 -7.441 13.232 -5.028 1.00 0.00 N ATOM 363 NH2 ARG A 468 -9.338 13.222 -6.324 1.00 0.00 N ATOM 0 H ARG A 468 -7.094 6.845 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 468 -7.966 9.403 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -8.994 7.482 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -9.518 9.145 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -6.622 8.347 -5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -7.736 8.736 -6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -7.107 10.622 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -6.274 10.662 -5.751 1.00 0.00 H new ATOM 0 HE ARG A 468 -9.039 10.768 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -6.685 12.729 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -7.498 14.248 -4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -10.042 12.710 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -9.393 14.238 -6.250 1.00 0.00 H new ATOM 377 N CYS A 469 -9.670 8.772 -1.145 1.00 0.00 N ATOM 378 CA CYS A 469 -10.813 8.627 -0.246 1.00 0.00 C ATOM 379 C CYS A 469 -10.755 9.727 0.807 1.00 0.00 C ATOM 380 O CYS A 469 -11.766 10.342 1.143 1.00 0.00 O ATOM 381 CB CYS A 469 -10.820 7.250 0.440 1.00 0.00 C ATOM 382 SG CYS A 469 -9.637 7.103 1.820 1.00 0.00 S ATOM 0 H CYS A 469 -8.963 9.428 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.729 8.710 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.824 7.046 0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -10.594 6.485 -0.302 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.503 6.651 1.373 1.00 0.00 H new ATOM 387 N GLY A 470 -9.546 9.988 1.300 1.00 0.00 N ATOM 388 CA GLY A 470 -9.356 10.978 2.337 1.00 0.00 C ATOM 389 C GLY A 470 -8.401 10.494 3.411 1.00 0.00 C ATOM 390 O GLY A 470 -8.691 10.599 4.601 1.00 0.00 O ATOM 0 H GLY A 470 -8.691 9.525 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.971 11.897 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -10.318 11.220 2.789 1.00 0.00 H new ATOM 394 N LYS A 471 -7.263 9.944 2.992 1.00 0.00 N ATOM 395 CA LYS A 471 -6.258 9.454 3.936 1.00 0.00 C ATOM 396 C LYS A 471 -4.852 9.793 3.446 1.00 0.00 C ATOM 397 O LYS A 471 -4.070 10.417 4.160 1.00 0.00 O ATOM 398 CB LYS A 471 -6.387 7.935 4.154 1.00 0.00 C ATOM 399 CG LYS A 471 -5.381 7.374 5.154 1.00 0.00 C ATOM 400 CD LYS A 471 -5.524 8.020 6.523 1.00 0.00 C ATOM 401 CE LYS A 471 -4.268 7.844 7.368 1.00 0.00 C ATOM 402 NZ LYS A 471 -4.007 6.423 7.729 1.00 0.00 N ATOM 0 H LYS A 471 -7.014 9.826 2.010 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.432 9.951 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.396 7.711 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.259 7.427 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -5.521 6.297 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.370 7.534 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.735 9.083 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.376 7.583 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -3.411 8.238 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -4.364 8.434 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -4.106 6.302 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -4.690 5.810 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -3.042 6.163 7.441 1.00 0.00 H new ATOM 416 N TYR A 472 -4.537 9.369 2.230 1.00 0.00 N ATOM 417 CA TYR A 472 -3.243 9.666 1.630 1.00 0.00 C ATOM 418 C TYR A 472 -3.442 10.184 0.214 1.00 0.00 C ATOM 419 O TYR A 472 -4.121 9.543 -0.588 1.00 0.00 O ATOM 420 CB TYR A 472 -2.349 8.414 1.603 1.00 0.00 C ATOM 421 CG TYR A 472 -2.022 7.851 2.969 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.185 8.540 3.835 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.545 6.632 3.391 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.882 8.035 5.085 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.246 6.118 4.640 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.415 6.826 5.484 1.00 0.00 C ATOM 427 OH TYR A 472 -1.118 6.327 6.733 1.00 0.00 O ATOM 0 H TYR A 472 -5.160 8.818 1.639 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.750 10.428 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.844 7.642 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.418 8.658 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.764 9.486 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.196 6.077 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.230 8.585 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.660 5.170 4.952 1.00 0.00 H new ATOM 0 HH TYR A 472 -0.203 5.975 6.736 1.00 0.00 H new ATOM 437 N PRO A 473 -2.898 11.368 -0.097 1.00 0.00 N ATOM 438 CA PRO A 473 -2.955 11.929 -1.446 1.00 0.00 C ATOM 439 C PRO A 473 -1.979 11.238 -2.391 1.00 0.00 C ATOM 440 O PRO A 473 -1.155 10.433 -1.962 1.00 0.00 O ATOM 441 CB PRO A 473 -2.556 13.391 -1.237 1.00 0.00 C ATOM 442 CG PRO A 473 -1.679 13.375 -0.032 1.00 0.00 C ATOM 443 CD PRO A 473 -2.198 12.264 0.844 1.00 0.00 C ATOM 0 HA PRO A 473 -3.936 11.805 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -2.029 13.786 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.431 14.022 -1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.639 13.201 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.714 14.332 0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.387 11.748 1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.872 12.643 1.612 1.00 0.00 H new ATOM 451 N ASN A 474 -2.071 11.561 -3.677 1.00 0.00 N ATOM 452 CA ASN A 474 -1.184 10.977 -4.678 1.00 0.00 C ATOM 453 C ASN A 474 0.201 11.615 -4.595 1.00 0.00 C ATOM 454 O ASN A 474 0.484 12.598 -5.277 1.00 0.00 O ATOM 455 CB ASN A 474 -1.764 11.134 -6.095 1.00 0.00 C ATOM 456 CG ASN A 474 -3.030 10.320 -6.309 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.227 9.278 -5.687 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.896 10.782 -7.203 1.00 0.00 N ATOM 0 H ASN A 474 -2.750 12.224 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 474 -1.094 9.911 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.979 12.186 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -1.014 10.829 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.757 10.269 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.700 11.650 -7.701 1.00 0.00 H new ATOM 465 N LEU A 475 1.048 11.058 -3.740 1.00 0.00 N ATOM 466 CA LEU A 475 2.370 11.618 -3.479 1.00 0.00 C ATOM 467 C LEU A 475 3.345 11.336 -4.625 1.00 0.00 C ATOM 468 O LEU A 475 4.298 12.092 -4.831 1.00 0.00 O ATOM 469 CB LEU A 475 2.925 11.052 -2.167 1.00 0.00 C ATOM 470 CG LEU A 475 2.091 11.354 -0.919 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.682 10.665 0.301 1.00 0.00 C ATOM 472 CD2 LEU A 475 1.999 12.855 -0.682 1.00 0.00 C ATOM 0 H LEU A 475 0.842 10.211 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 475 2.263 12.700 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.019 9.971 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.930 11.447 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 475 1.085 10.967 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.075 10.892 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.696 9.587 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.699 11.021 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.402 13.047 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.000 13.263 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.529 13.331 -1.543 1.00 0.00 H new ATOM 484 N LYS A 476 3.098 10.247 -5.359 1.00 0.00 N ATOM 485 CA LYS A 476 3.945 9.830 -6.487 1.00 0.00 C ATOM 486 C LYS A 476 5.337 9.415 -6.015 1.00 0.00 C ATOM 487 O LYS A 476 6.306 9.475 -6.771 1.00 0.00 O ATOM 488 CB LYS A 476 4.071 10.947 -7.529 1.00 0.00 C ATOM 489 CG LYS A 476 2.750 11.404 -8.130 1.00 0.00 C ATOM 490 CD LYS A 476 2.015 10.271 -8.817 1.00 0.00 C ATOM 491 CE LYS A 476 0.836 10.785 -9.627 1.00 0.00 C ATOM 492 NZ LYS A 476 1.275 11.529 -10.839 1.00 0.00 N ATOM 0 H LYS A 476 2.305 9.628 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 476 3.459 8.969 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.561 11.804 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.722 10.604 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 476 2.120 11.821 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 476 2.936 12.203 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 476 2.702 9.734 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 476 1.663 9.559 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 476 0.207 9.946 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 476 0.224 11.437 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.466 11.656 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 1.645 12.460 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 2.021 10.992 -11.325 1.00 0.00 H new ATOM 506 N LYS A 477 5.436 8.972 -4.773 1.00 0.00 N ATOM 507 CA LYS A 477 6.723 8.605 -4.201 1.00 0.00 C ATOM 508 C LYS A 477 6.916 7.087 -4.215 1.00 0.00 C ATOM 509 O LYS A 477 5.938 6.337 -4.306 1.00 0.00 O ATOM 510 CB LYS A 477 6.839 9.159 -2.670 1.00 0.00 C ATOM 511 CG LYS A 477 6.502 10.641 -2.685 1.00 0.00 C ATOM 512 CD LYS A 477 6.773 11.205 -1.300 1.00 0.00 C ATOM 513 CE LYS A 477 8.264 11.331 -1.030 1.00 0.00 C ATOM 514 NZ LYS A 477 8.538 12.029 0.256 1.00 0.00 N ATOM 0 H LYS A 477 4.643 8.857 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 477 7.504 9.060 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 477 6.155 8.618 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.845 9.000 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.104 11.160 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 477 5.457 10.790 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 477 6.302 12.183 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 477 6.320 10.559 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 477 8.714 10.338 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 477 8.736 11.877 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 9.565 12.095 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 8.131 12.985 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 8.109 11.495 1.039 1.00 0.00 H new ATOM 528 N PRO A 478 8.186 6.622 -4.142 1.00 0.00 N ATOM 529 CA PRO A 478 8.531 5.194 -4.171 1.00 0.00 C ATOM 530 C PRO A 478 7.766 4.386 -3.128 1.00 0.00 C ATOM 531 O PRO A 478 7.664 4.785 -1.965 1.00 0.00 O ATOM 532 CB PRO A 478 10.041 5.169 -3.870 1.00 0.00 C ATOM 533 CG PRO A 478 10.372 6.536 -3.373 1.00 0.00 C ATOM 534 CD PRO A 478 9.390 7.455 -4.034 1.00 0.00 C ATOM 0 HA PRO A 478 8.271 4.741 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.280 4.412 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 478 10.615 4.927 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.289 6.589 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.396 6.808 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.210 8.350 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.741 7.787 -5.011 1.00 0.00 H new ATOM 542 N THR A 479 7.230 3.254 -3.554 1.00 0.00 N ATOM 543 CA THR A 479 6.421 2.419 -2.688 1.00 0.00 C ATOM 544 C THR A 479 6.919 0.973 -2.685 1.00 0.00 C ATOM 545 O THR A 479 7.269 0.417 -3.725 1.00 0.00 O ATOM 546 CB THR A 479 4.939 2.493 -3.105 1.00 0.00 C ATOM 547 OG1 THR A 479 4.848 2.961 -4.459 1.00 0.00 O ATOM 548 CG2 THR A 479 4.170 3.432 -2.186 1.00 0.00 C ATOM 0 H THR A 479 7.343 2.892 -4.501 1.00 0.00 H new ATOM 0 HA THR A 479 6.513 2.797 -1.670 1.00 0.00 H new ATOM 0 HB THR A 479 4.502 1.497 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.134 3.629 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.126 3.471 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.230 3.068 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.603 4.431 -2.242 1.00 0.00 H new ATOM 556 N VAL A 480 6.968 0.393 -1.496 1.00 0.00 N ATOM 557 CA VAL A 480 7.495 -0.953 -1.295 1.00 0.00 C ATOM 558 C VAL A 480 6.431 -2.001 -1.618 1.00 0.00 C ATOM 559 O VAL A 480 5.234 -1.730 -1.507 1.00 0.00 O ATOM 560 CB VAL A 480 7.980 -1.135 0.164 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.805 -2.404 0.326 1.00 0.00 C ATOM 562 CG2 VAL A 480 8.670 0.080 0.613 1.00 0.00 C ATOM 0 H VAL A 480 6.643 0.841 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 480 8.341 -1.088 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 480 7.118 -1.273 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.128 -2.498 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.199 -3.269 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.679 -2.355 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.009 -0.053 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.529 0.270 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 480 7.985 0.927 0.564 1.00 0.00 H new ATOM 572 N TRP A 481 6.867 -3.189 -2.020 1.00 0.00 N ATOM 573 CA TRP A 481 5.948 -4.242 -2.426 1.00 0.00 C ATOM 574 C TRP A 481 5.892 -5.385 -1.415 1.00 0.00 C ATOM 575 O TRP A 481 6.830 -6.176 -1.295 1.00 0.00 O ATOM 576 CB TRP A 481 6.338 -4.788 -3.802 1.00 0.00 C ATOM 577 CG TRP A 481 6.051 -3.835 -4.921 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.948 -3.307 -5.806 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.776 -3.285 -5.262 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.300 -2.476 -6.691 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.967 -2.445 -6.374 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.491 -3.431 -4.735 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.916 -1.754 -6.968 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.451 -2.742 -5.321 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.668 -1.915 -6.430 1.00 0.00 C ATOM 0 H TRP A 481 7.853 -3.446 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 481 4.955 -3.796 -2.475 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.401 -5.028 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.801 -5.720 -3.981 1.00 0.00 H new ATOM 0 HD1 TRP A 481 8.008 -3.511 -5.810 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.740 -1.967 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.315 -4.072 -3.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.079 -1.114 -7.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.454 -2.841 -4.919 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.832 -1.393 -6.871 1.00 0.00 H new ATOM 596 N ARG A 482 4.788 -5.461 -0.687 1.00 0.00 N ATOM 597 CA ARG A 482 4.518 -6.587 0.200 1.00 0.00 C ATOM 598 C ARG A 482 3.171 -7.191 -0.173 1.00 0.00 C ATOM 599 O ARG A 482 2.175 -6.473 -0.233 1.00 0.00 O ATOM 600 CB ARG A 482 4.493 -6.148 1.672 1.00 0.00 C ATOM 601 CG ARG A 482 5.757 -5.442 2.135 1.00 0.00 C ATOM 602 CD ARG A 482 6.993 -6.329 2.030 1.00 0.00 C ATOM 603 NE ARG A 482 6.947 -7.483 2.929 1.00 0.00 N ATOM 604 CZ ARG A 482 7.998 -7.910 3.635 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.149 -7.249 3.598 1.00 0.00 N ATOM 606 NH2 ARG A 482 7.897 -8.993 4.383 1.00 0.00 N ATOM 0 H ARG A 482 4.057 -4.750 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 482 5.314 -7.322 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.642 -5.484 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.331 -7.025 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.907 -4.543 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.632 -5.120 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 482 7.096 -6.679 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.879 -5.736 2.255 1.00 0.00 H new ATOM 0 HE ARG A 482 6.066 -7.988 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 482 9.236 -6.408 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.946 -7.582 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 482 7.016 -9.505 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 482 8.700 -9.318 4.921 1.00 0.00 H new ATOM 620 N ARG A 483 3.137 -8.492 -0.451 1.00 0.00 N ATOM 621 CA ARG A 483 1.887 -9.152 -0.834 1.00 0.00 C ATOM 622 C ARG A 483 0.877 -9.064 0.308 1.00 0.00 C ATOM 623 O ARG A 483 0.029 -8.168 0.336 1.00 0.00 O ATOM 624 CB ARG A 483 2.118 -10.619 -1.213 1.00 0.00 C ATOM 625 CG ARG A 483 2.773 -10.844 -2.574 1.00 0.00 C ATOM 626 CD ARG A 483 4.234 -10.427 -2.587 1.00 0.00 C ATOM 627 NE ARG A 483 4.955 -10.993 -3.731 1.00 0.00 N ATOM 628 CZ ARG A 483 6.194 -10.649 -4.087 1.00 0.00 C ATOM 629 NH1 ARG A 483 6.838 -9.689 -3.432 1.00 0.00 N ATOM 630 NH2 ARG A 483 6.783 -11.262 -5.106 1.00 0.00 N ATOM 0 H ARG A 483 3.950 -9.107 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 483 1.493 -8.636 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 483 2.741 -11.082 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 483 1.159 -11.136 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 483 2.696 -11.898 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 483 2.230 -10.281 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 483 4.301 -9.339 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 483 4.712 -10.749 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 483 4.477 -11.698 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 483 6.385 -9.211 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 483 7.785 -9.430 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 483 6.289 -11.994 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 483 7.730 -11.001 -5.380 1.00 0.00 H new ATOM 644 N GLY A 484 0.971 -9.996 1.244 1.00 0.00 N ATOM 645 CA GLY A 484 0.218 -9.879 2.471 1.00 0.00 C ATOM 646 C GLY A 484 1.070 -9.192 3.504 1.00 0.00 C ATOM 647 O GLY A 484 0.754 -8.091 3.950 1.00 0.00 O ATOM 0 H GLY A 484 1.555 -10.829 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.697 -9.311 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.081 -10.866 2.825 1.00 0.00 H new ATOM 651 N HIS A 485 2.169 -9.852 3.846 1.00 0.00 N ATOM 652 CA HIS A 485 3.247 -9.267 4.625 1.00 0.00 C ATOM 653 C HIS A 485 4.378 -10.268 4.755 1.00 0.00 C ATOM 654 O HIS A 485 4.139 -11.370 5.291 1.00 0.00 O ATOM 655 CB HIS A 485 2.800 -8.671 6.007 1.00 0.00 C ATOM 656 CG HIS A 485 2.887 -7.291 6.109 1.00 0.00 C ATOM 657 ND1 HIS A 485 4.075 -6.605 6.149 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.915 -6.352 6.036 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.795 -5.298 6.073 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.488 -5.086 5.998 1.00 0.00 N ATOM 661 OXT HIS A 485 5.494 -9.952 4.304 1.00 0.00 O ATOM 0 H HIS A 485 2.337 -10.824 3.585 1.00 0.00 H new ATOM 0 HA HIS A 485 3.605 -8.396 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 485 1.769 -8.969 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 485 3.411 -9.117 6.792 1.00 0.00 H new ATOM 0 HD1 HIS A 485 5.005 -7.017 6.223 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.855 -6.555 6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.539 -4.515 6.073 1.00 0.00 H new