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+ -162:sc= 0.406 (180deg=0.206) USER MOD Set 1.2: A 472 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 459 HIS : no HD1:sc= -0.334 K(o=-1.3,f=-2.3) USER MOD Set 2.2: A 467 CYS SG : rot 140:sc= -0.68! USER MOD Set 2.3: A 469 CYS SG : rot -58:sc= -0.302 USER MOD Set 3.1: A 462 ASN : amide:sc= 2.16 K(o=1.9,f=-6.2!) USER MOD Set 3.2: A 463 SER OG : rot 180:sc= 0.00598 USER MOD Set 3.3: A 474 ASN : amide:sc= -0.316 K(o=1.9,f=-11!) USER MOD Set 4.1: A 447 HIS : no HE2:sc= -0.159 K(o=-1.2,f=-1.9) USER MOD Set 4.2: A 449 HIS : no HD1:sc= -1.27 K(o=-1.2,f=-0.43) USER MOD Set 4.3: A 455 CYS SG : rot 110:sc= 0.12 USER MOD Set 4.4: A 485 HIS : no HE2:sc= 0.0742 X(o=-1.2,f=-1.3) USER MOD Single : A 446 THR OG1 : rot 13:sc= 0.679 USER MOD Single : A 476 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.233) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 110:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 0.112 -6.857 -5.278 1.00 0.00 N ATOM 22 CA THR A 446 1.136 -6.486 -4.319 1.00 0.00 C ATOM 23 C THR A 446 0.825 -5.098 -3.776 1.00 0.00 C ATOM 24 O THR A 446 0.798 -4.127 -4.533 1.00 0.00 O ATOM 25 CB THR A 446 2.520 -6.482 -4.994 1.00 0.00 C ATOM 26 OG1 THR A 446 2.514 -7.415 -6.088 1.00 0.00 O ATOM 27 CG2 THR A 446 3.607 -6.867 -4.003 1.00 0.00 C ATOM 0 HA THR A 446 1.148 -7.209 -3.504 1.00 0.00 H new ATOM 0 HB THR A 446 2.729 -5.477 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 446 1.592 -7.680 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 446 4.575 -6.857 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 446 3.617 -6.154 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 446 3.409 -7.866 -3.616 1.00 0.00 H new ATOM 35 N HIS A 447 0.565 -4.991 -2.482 1.00 0.00 N ATOM 36 CA HIS A 447 0.091 -3.730 -1.950 1.00 0.00 C ATOM 37 C HIS A 447 1.247 -2.793 -1.627 1.00 0.00 C ATOM 38 O HIS A 447 2.223 -3.173 -0.961 1.00 0.00 O ATOM 39 CB HIS A 447 -0.849 -3.932 -0.750 1.00 0.00 C ATOM 40 CG HIS A 447 -0.223 -4.396 0.535 1.00 0.00 C ATOM 41 ND1 HIS A 447 0.281 -5.663 0.745 1.00 0.00 N ATOM 42 CD2 HIS A 447 -0.071 -3.734 1.712 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.708 -5.729 2.016 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.516 -4.588 2.643 1.00 0.00 N ATOM 0 H HIS A 447 0.671 -5.742 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.501 -3.249 -2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.360 -2.989 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -1.613 -4.655 -1.036 1.00 0.00 H new ATOM 0 HD1 HIS A 447 0.322 -6.415 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 447 -0.359 -2.710 1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 447 1.152 -6.605 2.466 1.00 0.00 H new ATOM 52 N ARG A 448 1.124 -1.577 -2.143 1.00 0.00 N ATOM 53 CA ARG A 448 2.148 -0.552 -2.002 1.00 0.00 C ATOM 54 C ARG A 448 2.318 -0.103 -0.556 1.00 0.00 C ATOM 55 O ARG A 448 1.343 0.172 0.150 1.00 0.00 O ATOM 56 CB ARG A 448 1.813 0.652 -2.885 1.00 0.00 C ATOM 57 CG ARG A 448 2.375 0.551 -4.296 1.00 0.00 C ATOM 58 CD ARG A 448 1.929 1.707 -5.173 1.00 0.00 C ATOM 59 NE ARG A 448 2.789 1.869 -6.347 1.00 0.00 N ATOM 60 CZ ARG A 448 2.422 1.574 -7.595 1.00 0.00 C ATOM 61 NH1 ARG A 448 1.236 1.019 -7.823 1.00 0.00 N ATOM 62 NH2 ARG A 448 3.239 1.829 -8.616 1.00 0.00 N ATOM 0 H ARG A 448 0.307 -1.273 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 448 3.093 -0.992 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 448 0.730 0.760 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.199 1.556 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.464 0.530 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 448 2.056 -0.389 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 448 0.901 1.541 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 448 1.935 2.628 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 448 3.731 2.231 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 448 0.608 0.819 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 448 0.954 0.793 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 448 4.151 2.252 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 448 2.952 1.601 -9.568 1.00 0.00 H new ATOM 76 N HIS A 449 3.568 -0.054 -0.134 1.00 0.00 N ATOM 77 CA HIS A 449 3.948 0.510 1.149 1.00 0.00 C ATOM 78 C HIS A 449 4.679 1.823 0.927 1.00 0.00 C ATOM 79 O HIS A 449 5.300 2.020 -0.118 1.00 0.00 O ATOM 80 CB HIS A 449 4.880 -0.446 1.900 1.00 0.00 C ATOM 81 CG HIS A 449 4.210 -1.310 2.916 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.818 -1.706 4.083 1.00 0.00 N ATOM 83 CD2 HIS A 449 2.974 -1.872 2.928 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.960 -2.480 4.752 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.825 -2.610 4.100 1.00 0.00 N ATOM 0 H HIS A 449 4.356 -0.408 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 449 3.045 0.672 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.381 -1.086 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.654 0.140 2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.228 -1.764 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.171 -2.940 5.706 1.00 0.00 H new ATOM 0 HE2 HIS A 449 2.005 -3.142 4.392 1.00 0.00 H new ATOM 93 N ILE A 450 4.604 2.718 1.894 1.00 0.00 N ATOM 94 CA ILE A 450 5.404 3.926 1.859 1.00 0.00 C ATOM 95 C ILE A 450 6.711 3.658 2.598 1.00 0.00 C ATOM 96 O ILE A 450 6.730 2.871 3.547 1.00 0.00 O ATOM 97 CB ILE A 450 4.664 5.115 2.518 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.268 5.284 1.907 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.467 6.398 2.366 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.470 6.431 2.498 1.00 0.00 C ATOM 0 H ILE A 450 3.999 2.631 2.711 1.00 0.00 H new ATOM 0 HA ILE A 450 5.596 4.194 0.820 1.00 0.00 H new ATOM 0 HB ILE A 450 4.554 4.902 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.369 5.441 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.709 4.358 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.929 7.222 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.438 6.278 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.609 6.615 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.495 6.484 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.335 6.267 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.006 7.367 2.339 1.00 0.00 H new ATOM 112 N ARG A 451 7.800 4.268 2.152 1.00 0.00 N ATOM 113 CA ARG A 451 9.093 4.080 2.806 1.00 0.00 C ATOM 114 C ARG A 451 9.098 4.729 4.193 1.00 0.00 C ATOM 115 O ARG A 451 9.584 5.846 4.371 1.00 0.00 O ATOM 116 CB ARG A 451 10.233 4.653 1.961 1.00 0.00 C ATOM 117 CG ARG A 451 10.273 4.139 0.530 1.00 0.00 C ATOM 118 CD ARG A 451 11.623 4.405 -0.126 1.00 0.00 C ATOM 119 NE ARG A 451 12.167 5.718 0.235 1.00 0.00 N ATOM 120 CZ ARG A 451 13.290 6.225 -0.270 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.935 5.589 -1.237 1.00 0.00 N ATOM 122 NH2 ARG A 451 13.760 7.379 0.191 1.00 0.00 N ATOM 0 H ARG A 451 7.818 4.893 1.346 1.00 0.00 H new ATOM 0 HA ARG A 451 9.251 3.007 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 451 10.144 5.739 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 451 11.181 4.419 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.069 3.068 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.485 4.618 -0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 451 12.328 3.628 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.517 4.343 -1.209 1.00 0.00 H new ATOM 0 HE ARG A 451 11.653 6.278 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.572 4.707 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.795 5.982 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 451 13.261 7.874 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 451 14.620 7.770 -0.194 1.00 0.00 H new ATOM 136 N GLY A 452 8.526 4.028 5.161 1.00 0.00 N ATOM 137 CA GLY A 452 8.428 4.544 6.511 1.00 0.00 C ATOM 138 C GLY A 452 7.033 4.358 7.072 1.00 0.00 C ATOM 139 O GLY A 452 6.426 5.304 7.576 1.00 0.00 O ATOM 0 H GLY A 452 8.123 3.100 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.150 4.036 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.687 5.603 6.517 1.00 0.00 H new ATOM 143 N GLU A 453 6.517 3.138 6.957 1.00 0.00 N ATOM 144 CA GLU A 453 5.184 2.804 7.444 1.00 0.00 C ATOM 145 C GLU A 453 5.041 1.291 7.569 1.00 0.00 C ATOM 146 O GLU A 453 5.462 0.543 6.681 1.00 0.00 O ATOM 147 CB GLU A 453 4.121 3.384 6.499 1.00 0.00 C ATOM 148 CG GLU A 453 2.686 2.968 6.813 1.00 0.00 C ATOM 149 CD GLU A 453 2.321 3.102 8.279 1.00 0.00 C ATOM 150 OE1 GLU A 453 2.429 4.214 8.828 1.00 0.00 O ATOM 151 OE2 GLU A 453 1.925 2.082 8.884 1.00 0.00 O ATOM 0 H GLU A 453 7.010 2.356 6.525 1.00 0.00 H new ATOM 0 HA GLU A 453 5.038 3.243 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.183 4.472 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.357 3.080 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.003 3.576 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.541 1.933 6.504 1.00 0.00 H new ATOM 158 N ALA A 454 4.452 0.851 8.673 1.00 0.00 N ATOM 159 CA ALA A 454 4.277 -0.567 8.941 1.00 0.00 C ATOM 160 C ALA A 454 3.237 -1.172 8.001 1.00 0.00 C ATOM 161 O ALA A 454 3.404 -2.293 7.525 1.00 0.00 O ATOM 162 CB ALA A 454 3.876 -0.790 10.391 1.00 0.00 C ATOM 0 H ALA A 454 4.085 1.463 9.402 1.00 0.00 H new ATOM 0 HA ALA A 454 5.229 -1.067 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.749 -1.857 10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.653 -0.399 11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.937 -0.274 10.592 1.00 0.00 H new ATOM 168 N CYS A 455 2.166 -0.424 7.743 1.00 0.00 N ATOM 169 CA CYS A 455 1.123 -0.852 6.818 1.00 0.00 C ATOM 170 C CYS A 455 -0.004 0.179 6.799 1.00 0.00 C ATOM 171 O CYS A 455 -0.748 0.302 7.768 1.00 0.00 O ATOM 172 CB CYS A 455 0.573 -2.228 7.206 1.00 0.00 C ATOM 173 SG CYS A 455 -0.271 -3.096 5.845 1.00 0.00 S ATOM 0 H CYS A 455 1.999 0.489 8.166 1.00 0.00 H new ATOM 0 HA CYS A 455 1.558 -0.932 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.394 -2.848 7.566 1.00 0.00 H new ATOM 0 HB3 CYS A 455 -0.124 -2.109 8.036 1.00 0.00 H new ATOM 0 HG CYS A 455 0.453 -4.104 5.459 1.00 0.00 H new ATOM 178 N PRO A 456 -0.148 0.926 5.687 1.00 0.00 N ATOM 179 CA PRO A 456 -1.096 2.047 5.584 1.00 0.00 C ATOM 180 C PRO A 456 -2.561 1.612 5.426 1.00 0.00 C ATOM 181 O PRO A 456 -3.433 2.438 5.146 1.00 0.00 O ATOM 182 CB PRO A 456 -0.630 2.806 4.326 1.00 0.00 C ATOM 183 CG PRO A 456 0.651 2.157 3.903 1.00 0.00 C ATOM 184 CD PRO A 456 0.614 0.761 4.445 1.00 0.00 C ATOM 0 HA PRO A 456 -1.088 2.641 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.377 2.746 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.479 3.864 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.743 2.150 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.510 2.703 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.125 0.071 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.615 0.371 4.631 1.00 0.00 H new ATOM 192 N LEU A 457 -2.834 0.326 5.616 1.00 0.00 N ATOM 193 CA LEU A 457 -4.195 -0.177 5.542 1.00 0.00 C ATOM 194 C LEU A 457 -4.977 0.244 6.793 1.00 0.00 C ATOM 195 O LEU A 457 -4.381 0.593 7.812 1.00 0.00 O ATOM 196 CB LEU A 457 -4.192 -1.703 5.371 1.00 0.00 C ATOM 197 CG LEU A 457 -3.732 -2.201 3.996 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.724 -3.721 3.957 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.636 -1.646 2.899 1.00 0.00 C ATOM 0 H LEU A 457 -2.131 -0.383 5.822 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.690 0.253 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.545 -2.137 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.199 -2.076 5.557 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.717 -1.845 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -3.395 -4.058 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.042 -4.101 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.729 -4.095 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.296 -2.009 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.661 -1.975 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.598 -0.557 2.913 1.00 0.00 H new ATOM 211 N PRO A 458 -6.318 0.204 6.747 1.00 0.00 N ATOM 212 CA PRO A 458 -7.084 -0.344 5.631 1.00 0.00 C ATOM 213 C PRO A 458 -7.309 0.645 4.490 1.00 0.00 C ATOM 214 O PRO A 458 -8.211 0.460 3.672 1.00 0.00 O ATOM 215 CB PRO A 458 -8.425 -0.726 6.269 1.00 0.00 C ATOM 216 CG PRO A 458 -8.374 -0.247 7.689 1.00 0.00 C ATOM 217 CD PRO A 458 -7.211 0.693 7.792 1.00 0.00 C ATOM 0 HA PRO A 458 -6.551 -1.174 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.255 -0.264 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.580 -1.804 6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -9.302 0.256 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.254 -1.086 8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.509 1.727 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.744 0.655 8.776 1.00 0.00 H new ATOM 225 N HIS A 459 -6.495 1.686 4.422 1.00 0.00 N ATOM 226 CA HIS A 459 -6.571 2.609 3.301 1.00 0.00 C ATOM 227 C HIS A 459 -5.755 2.077 2.131 1.00 0.00 C ATOM 228 O HIS A 459 -4.603 1.676 2.285 1.00 0.00 O ATOM 229 CB HIS A 459 -6.110 4.011 3.699 1.00 0.00 C ATOM 230 CG HIS A 459 -7.006 4.670 4.707 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.153 5.342 4.337 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.897 4.696 6.058 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.706 5.755 5.465 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.981 5.387 6.532 1.00 0.00 N ATOM 0 H HIS A 459 -5.784 1.911 5.118 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.614 2.688 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -5.100 3.952 4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.058 4.635 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -6.107 4.256 6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.626 6.318 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.196 5.584 7.509 1.00 0.00 H new ATOM 242 N ARG A 460 -6.361 2.084 0.962 1.00 0.00 N ATOM 243 CA ARG A 460 -5.788 1.421 -0.200 1.00 0.00 C ATOM 244 C ARG A 460 -5.087 2.420 -1.109 1.00 0.00 C ATOM 245 O ARG A 460 -5.732 3.211 -1.795 1.00 0.00 O ATOM 246 CB ARG A 460 -6.889 0.669 -0.959 1.00 0.00 C ATOM 247 CG ARG A 460 -6.424 -0.062 -2.216 1.00 0.00 C ATOM 248 CD ARG A 460 -5.369 -1.116 -1.919 1.00 0.00 C ATOM 249 NE ARG A 460 -4.030 -0.544 -1.671 1.00 0.00 N ATOM 250 CZ ARG A 460 -3.115 -0.993 -0.920 1.00 0.00 C ATOM 251 NH1 ARG A 460 -3.392 -2.018 -0.123 1.00 0.00 N ATOM 252 NH2 ARG A 460 -1.915 -0.419 -0.870 1.00 0.00 N ATOM 0 H ARG A 460 -7.255 2.543 0.787 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.039 0.705 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.345 -0.055 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -7.667 1.379 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.281 -0.535 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.021 0.661 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -5.677 -1.694 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -5.311 -1.810 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 460 -3.816 0.321 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -4.326 -2.427 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -2.670 -2.396 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -1.717 0.400 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -1.193 -0.798 -0.257 1.00 0.00 H new ATOM 266 N LEU A 461 -3.762 2.391 -1.071 1.00 0.00 N ATOM 267 CA LEU A 461 -2.935 3.222 -1.939 1.00 0.00 C ATOM 268 C LEU A 461 -3.035 2.733 -3.375 1.00 0.00 C ATOM 269 O LEU A 461 -2.953 1.528 -3.630 1.00 0.00 O ATOM 270 CB LEU A 461 -1.462 3.180 -1.502 1.00 0.00 C ATOM 271 CG LEU A 461 -1.101 3.935 -0.216 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.812 3.345 0.987 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.404 3.916 -0.008 1.00 0.00 C ATOM 0 H LEU A 461 -3.230 1.793 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.298 4.247 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.175 2.136 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.855 3.581 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.432 4.968 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.535 3.902 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.890 3.408 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.522 2.301 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.652 4.454 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.747 2.885 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.894 4.396 -0.855 1.00 0.00 H new ATOM 285 N ASN A 462 -3.229 3.661 -4.302 1.00 0.00 N ATOM 286 CA ASN A 462 -3.236 3.339 -5.725 1.00 0.00 C ATOM 287 C ASN A 462 -1.825 3.476 -6.288 1.00 0.00 C ATOM 288 O ASN A 462 -0.854 3.505 -5.529 1.00 0.00 O ATOM 289 CB ASN A 462 -4.239 4.229 -6.493 1.00 0.00 C ATOM 290 CG ASN A 462 -3.765 5.659 -6.726 1.00 0.00 C ATOM 291 OD1 ASN A 462 -3.134 5.956 -7.740 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.077 6.555 -5.807 1.00 0.00 N ATOM 0 H ASN A 462 -3.384 4.647 -4.094 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.563 2.307 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -4.450 3.768 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.178 4.256 -5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.794 7.528 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.601 6.274 -4.978 1.00 0.00 H new ATOM 299 N SER A 463 -1.707 3.547 -7.603 1.00 0.00 N ATOM 300 CA SER A 463 -0.407 3.638 -8.251 1.00 0.00 C ATOM 301 C SER A 463 0.366 4.891 -7.825 1.00 0.00 C ATOM 302 O SER A 463 1.594 4.869 -7.717 1.00 0.00 O ATOM 303 CB SER A 463 -0.590 3.605 -9.767 1.00 0.00 C ATOM 304 OG SER A 463 -1.644 4.463 -10.174 1.00 0.00 O ATOM 0 H SER A 463 -2.499 3.543 -8.246 1.00 0.00 H new ATOM 0 HA SER A 463 0.188 2.781 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.337 3.906 -10.255 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.802 2.585 -10.088 1.00 0.00 H new ATOM 0 HG SER A 463 -1.739 4.425 -11.149 1.00 0.00 H new ATOM 310 N LEU A 464 -0.349 5.977 -7.572 1.00 0.00 N ATOM 311 CA LEU A 464 0.287 7.237 -7.205 1.00 0.00 C ATOM 312 C LEU A 464 0.416 7.383 -5.687 1.00 0.00 C ATOM 313 O LEU A 464 0.990 8.358 -5.195 1.00 0.00 O ATOM 314 CB LEU A 464 -0.506 8.407 -7.785 1.00 0.00 C ATOM 315 CG LEU A 464 -0.693 8.370 -9.306 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.514 9.558 -9.671 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.653 8.356 -10.011 1.00 0.00 C ATOM 0 H LEU A 464 -1.368 6.013 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 464 1.294 7.240 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.488 8.430 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.002 9.336 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.204 7.461 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.673 9.573 -10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.477 9.505 -9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -0.994 10.467 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.498 8.330 -11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.212 9.254 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.216 7.475 -9.703 1.00 0.00 H new ATOM 329 N GLY A 465 -0.123 6.421 -4.944 1.00 0.00 N ATOM 330 CA GLY A 465 0.035 6.434 -3.502 1.00 0.00 C ATOM 331 C GLY A 465 -1.208 6.896 -2.770 1.00 0.00 C ATOM 332 O GLY A 465 -1.335 6.681 -1.566 1.00 0.00 O ATOM 0 H GLY A 465 -0.663 5.638 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.297 5.432 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 465 0.867 7.087 -3.240 1.00 0.00 H new ATOM 336 N GLY A 466 -2.119 7.530 -3.484 1.00 0.00 N ATOM 337 CA GLY A 466 -3.335 8.011 -2.857 1.00 0.00 C ATOM 338 C GLY A 466 -4.305 6.890 -2.528 1.00 0.00 C ATOM 339 O GLY A 466 -4.311 5.857 -3.191 1.00 0.00 O ATOM 0 H GLY A 466 -2.043 7.722 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -3.081 8.546 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.823 8.726 -3.520 1.00 0.00 H new ATOM 343 N CYS A 467 -5.140 7.082 -1.514 1.00 0.00 N ATOM 344 CA CYS A 467 -6.093 6.045 -1.130 1.00 0.00 C ATOM 345 C CYS A 467 -7.525 6.471 -1.442 1.00 0.00 C ATOM 346 O CYS A 467 -8.467 6.010 -0.792 1.00 0.00 O ATOM 347 CB CYS A 467 -5.959 5.680 0.356 1.00 0.00 C ATOM 348 SG CYS A 467 -6.667 6.902 1.505 1.00 0.00 S ATOM 0 H CYS A 467 -5.178 7.931 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.859 5.158 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.444 4.719 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.903 5.550 0.591 1.00 0.00 H new ATOM 0 HG CYS A 467 -7.272 6.285 2.476 1.00 0.00 H new ATOM 353 N ARG A 468 -7.671 7.372 -2.416 1.00 0.00 N ATOM 354 CA ARG A 468 -8.979 7.750 -2.979 1.00 0.00 C ATOM 355 C ARG A 468 -9.797 8.648 -2.042 1.00 0.00 C ATOM 356 O ARG A 468 -10.427 9.600 -2.487 1.00 0.00 O ATOM 357 CB ARG A 468 -9.795 6.498 -3.343 1.00 0.00 C ATOM 358 CG ARG A 468 -11.013 6.781 -4.209 1.00 0.00 C ATOM 359 CD ARG A 468 -11.912 5.559 -4.311 1.00 0.00 C ATOM 360 NE ARG A 468 -12.973 5.723 -5.307 1.00 0.00 N ATOM 361 CZ ARG A 468 -14.131 6.340 -5.078 1.00 0.00 C ATOM 362 NH1 ARG A 468 -14.333 6.986 -3.936 1.00 0.00 N ATOM 363 NH2 ARG A 468 -15.073 6.328 -6.013 1.00 0.00 N ATOM 0 H ARG A 468 -6.885 7.864 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.770 8.328 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.147 5.794 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.121 6.010 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -11.575 7.615 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -10.691 7.083 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -11.308 4.689 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -12.360 5.360 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 468 -12.815 5.339 -6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -13.599 7.012 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -15.222 7.457 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -14.907 5.849 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -15.963 6.798 -5.846 1.00 0.00 H new ATOM 377 N CYS A 469 -9.671 8.349 -0.750 1.00 0.00 N ATOM 378 CA CYS A 469 -10.641 9.050 0.200 1.00 0.00 C ATOM 379 C CYS A 469 -9.952 10.272 0.813 1.00 0.00 C ATOM 380 O CYS A 469 -10.441 10.845 1.785 1.00 0.00 O ATOM 381 CB CYS A 469 -11.093 8.095 1.308 1.00 0.00 C ATOM 382 SG CYS A 469 -9.936 7.951 2.705 1.00 0.00 S ATOM 0 H CYS A 469 -8.998 7.705 -0.334 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.521 9.367 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -12.059 8.430 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.246 7.106 0.877 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.777 7.554 2.270 1.00 0.00 H new ATOM 387 N GLY A 470 -8.819 10.670 0.254 1.00 0.00 N ATOM 388 CA GLY A 470 -8.140 11.857 0.744 1.00 0.00 C ATOM 389 C GLY A 470 -7.152 11.581 1.866 1.00 0.00 C ATOM 390 O GLY A 470 -6.180 12.316 2.018 1.00 0.00 O ATOM 0 H GLY A 470 -8.358 10.198 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -7.612 12.330 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -8.885 12.571 1.096 1.00 0.00 H new ATOM 394 N LYS A 471 -7.409 10.532 2.659 1.00 0.00 N ATOM 395 CA LYS A 471 -6.530 10.168 3.671 1.00 0.00 C ATOM 396 C LYS A 471 -5.076 10.085 3.315 1.00 0.00 C ATOM 397 O LYS A 471 -4.183 10.674 3.919 1.00 0.00 O ATOM 398 CB LYS A 471 -6.982 8.829 4.388 1.00 0.00 C ATOM 399 CG LYS A 471 -6.565 8.620 5.844 1.00 0.00 C ATOM 400 CD LYS A 471 -5.057 8.490 6.011 1.00 0.00 C ATOM 401 CE LYS A 471 -4.656 8.451 7.476 1.00 0.00 C ATOM 402 NZ LYS A 471 -3.179 8.349 7.644 1.00 0.00 N ATOM 0 H LYS A 471 -8.239 9.943 2.582 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.599 11.016 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -8.070 8.775 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.596 7.992 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -6.922 9.457 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -7.048 7.723 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.713 7.583 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -4.563 9.329 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -5.017 9.350 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -5.136 7.602 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -2.961 8.023 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -2.797 7.671 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -2.747 9.282 7.488 1.00 0.00 H new ATOM 416 N TYR A 472 -4.854 9.342 2.244 1.00 0.00 N ATOM 417 CA TYR A 472 -3.548 9.302 1.614 1.00 0.00 C ATOM 418 C TYR A 472 -3.630 9.972 0.255 1.00 0.00 C ATOM 419 O TYR A 472 -4.449 9.584 -0.581 1.00 0.00 O ATOM 420 CB TYR A 472 -3.034 7.862 1.479 1.00 0.00 C ATOM 421 CG TYR A 472 -2.704 7.223 2.806 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.474 7.442 3.413 1.00 0.00 C ATOM 423 CD2 TYR A 472 -3.624 6.418 3.460 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.175 6.873 4.636 1.00 0.00 C ATOM 425 CE2 TYR A 472 -3.334 5.850 4.681 1.00 0.00 C ATOM 426 CZ TYR A 472 -2.109 6.079 5.268 1.00 0.00 C ATOM 427 OH TYR A 472 -1.827 5.522 6.491 1.00 0.00 O ATOM 0 H TYR A 472 -5.561 8.760 1.794 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.838 9.839 2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.787 7.260 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -2.144 7.858 0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.741 8.066 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -4.585 6.233 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.214 7.049 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -4.064 5.227 5.176 1.00 0.00 H new ATOM 0 HH TYR A 472 -2.594 4.993 6.794 1.00 0.00 H new ATOM 437 N PRO A 473 -2.833 11.022 0.041 1.00 0.00 N ATOM 438 CA PRO A 473 -2.788 11.731 -1.230 1.00 0.00 C ATOM 439 C PRO A 473 -1.818 11.089 -2.217 1.00 0.00 C ATOM 440 O PRO A 473 -1.012 10.237 -1.844 1.00 0.00 O ATOM 441 CB PRO A 473 -2.295 13.116 -0.819 1.00 0.00 C ATOM 442 CG PRO A 473 -1.408 12.868 0.360 1.00 0.00 C ATOM 443 CD PRO A 473 -1.918 11.617 1.035 1.00 0.00 C ATOM 0 HA PRO A 473 -3.750 11.731 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.750 13.599 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.126 13.771 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.372 12.742 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.432 13.714 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.103 10.937 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.436 11.849 1.966 1.00 0.00 H new ATOM 451 N ASN A 474 -1.899 11.499 -3.475 1.00 0.00 N ATOM 452 CA ASN A 474 -0.994 10.989 -4.496 1.00 0.00 C ATOM 453 C ASN A 474 0.381 11.619 -4.334 1.00 0.00 C ATOM 454 O ASN A 474 0.634 12.730 -4.800 1.00 0.00 O ATOM 455 CB ASN A 474 -1.553 11.257 -5.895 1.00 0.00 C ATOM 456 CG ASN A 474 -2.802 10.441 -6.181 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.946 9.312 -5.707 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.718 11.006 -6.951 1.00 0.00 N ATOM 0 H ASN A 474 -2.579 12.180 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.899 9.910 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.783 12.318 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.791 11.025 -6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.579 10.505 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.563 11.942 -7.325 1.00 0.00 H new ATOM 465 N LEU A 475 1.252 10.911 -3.631 1.00 0.00 N ATOM 466 CA LEU A 475 2.573 11.422 -3.301 1.00 0.00 C ATOM 467 C LEU A 475 3.566 11.170 -4.425 1.00 0.00 C ATOM 468 O LEU A 475 4.535 11.915 -4.576 1.00 0.00 O ATOM 469 CB LEU A 475 3.074 10.798 -2.000 1.00 0.00 C ATOM 470 CG LEU A 475 2.207 11.095 -0.770 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.757 10.391 0.459 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.122 12.597 -0.529 1.00 0.00 C ATOM 0 H LEU A 475 1.065 9.973 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 475 2.488 12.501 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.136 9.718 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.086 11.154 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 475 1.203 10.716 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.127 10.616 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.767 9.315 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.772 10.737 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.503 12.790 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.123 12.996 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.679 13.081 -1.400 1.00 0.00 H new ATOM 484 N LYS A 476 3.327 10.113 -5.201 1.00 0.00 N ATOM 485 CA LYS A 476 4.160 9.793 -6.358 1.00 0.00 C ATOM 486 C LYS A 476 5.605 9.489 -5.922 1.00 0.00 C ATOM 487 O LYS A 476 6.562 9.684 -6.672 1.00 0.00 O ATOM 488 CB LYS A 476 4.098 10.966 -7.353 1.00 0.00 C ATOM 489 CG LYS A 476 4.798 10.727 -8.682 1.00 0.00 C ATOM 490 CD LYS A 476 4.216 9.539 -9.434 1.00 0.00 C ATOM 491 CE LYS A 476 4.948 9.305 -10.744 1.00 0.00 C ATOM 492 NZ LYS A 476 6.377 8.957 -10.522 1.00 0.00 N ATOM 0 H LYS A 476 2.558 9.461 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 476 3.784 8.895 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 476 3.052 11.200 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.538 11.845 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 476 4.716 11.621 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 476 5.860 10.558 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.281 8.645 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 476 3.158 9.713 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 476 4.459 8.502 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 476 4.883 10.201 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 6.782 8.577 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 6.902 9.809 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 6.447 8.241 -9.771 1.00 0.00 H new ATOM 506 N LYS A 477 5.751 8.986 -4.704 1.00 0.00 N ATOM 507 CA LYS A 477 7.068 8.661 -4.168 1.00 0.00 C ATOM 508 C LYS A 477 7.342 7.166 -4.320 1.00 0.00 C ATOM 509 O LYS A 477 6.412 6.392 -4.551 1.00 0.00 O ATOM 510 CB LYS A 477 7.168 9.082 -2.694 1.00 0.00 C ATOM 511 CG LYS A 477 6.909 10.563 -2.473 1.00 0.00 C ATOM 512 CD LYS A 477 7.336 11.007 -1.082 1.00 0.00 C ATOM 513 CE LYS A 477 6.701 10.166 0.017 1.00 0.00 C ATOM 514 NZ LYS A 477 7.223 10.531 1.361 1.00 0.00 N ATOM 0 H LYS A 477 4.976 8.794 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 477 7.821 9.212 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 477 6.453 8.504 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 477 8.161 8.834 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.449 11.143 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 477 5.848 10.772 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 477 8.421 10.946 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.064 12.053 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.619 10.300 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 477 6.895 9.111 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.768 9.937 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 8.252 10.380 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.015 11.532 1.554 1.00 0.00 H new ATOM 528 N PRO A 478 8.617 6.744 -4.207 1.00 0.00 N ATOM 529 CA PRO A 478 9.000 5.333 -4.359 1.00 0.00 C ATOM 530 C PRO A 478 8.265 4.425 -3.373 1.00 0.00 C ATOM 531 O PRO A 478 8.395 4.569 -2.155 1.00 0.00 O ATOM 532 CB PRO A 478 10.508 5.326 -4.084 1.00 0.00 C ATOM 533 CG PRO A 478 10.806 6.625 -3.418 1.00 0.00 C ATOM 534 CD PRO A 478 9.777 7.600 -3.911 1.00 0.00 C ATOM 0 HA PRO A 478 8.742 4.949 -5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.785 4.487 -3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.074 5.223 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.758 6.525 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.812 6.965 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.541 8.352 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.120 8.134 -4.797 1.00 0.00 H new ATOM 542 N THR A 479 7.486 3.498 -3.908 1.00 0.00 N ATOM 543 CA THR A 479 6.669 2.626 -3.091 1.00 0.00 C ATOM 544 C THR A 479 7.331 1.272 -2.864 1.00 0.00 C ATOM 545 O THR A 479 8.037 0.756 -3.733 1.00 0.00 O ATOM 546 CB THR A 479 5.295 2.426 -3.751 1.00 0.00 C ATOM 547 OG1 THR A 479 5.458 2.172 -5.155 1.00 0.00 O ATOM 548 CG2 THR A 479 4.420 3.656 -3.551 1.00 0.00 C ATOM 0 H THR A 479 7.405 3.333 -4.911 1.00 0.00 H new ATOM 0 HA THR A 479 6.548 3.105 -2.119 1.00 0.00 H new ATOM 0 HB THR A 479 4.809 1.571 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.231 1.238 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.452 3.495 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.277 3.831 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.904 4.524 -4.000 1.00 0.00 H new ATOM 556 N VAL A 480 7.097 0.705 -1.692 1.00 0.00 N ATOM 557 CA VAL A 480 7.633 -0.602 -1.341 1.00 0.00 C ATOM 558 C VAL A 480 6.626 -1.692 -1.700 1.00 0.00 C ATOM 559 O VAL A 480 5.434 -1.550 -1.426 1.00 0.00 O ATOM 560 CB VAL A 480 7.948 -0.679 0.166 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.641 -1.984 0.520 1.00 0.00 C ATOM 562 CG2 VAL A 480 8.796 0.505 0.598 1.00 0.00 C ATOM 0 H VAL A 480 6.533 1.135 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 480 8.555 -0.752 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 480 7.001 -0.644 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 480 8.849 -2.007 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 480 7.995 -2.822 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.577 -2.061 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.007 0.431 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.733 0.503 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.257 1.431 0.398 1.00 0.00 H new ATOM 572 N TRP A 481 7.101 -2.762 -2.316 1.00 0.00 N ATOM 573 CA TRP A 481 6.227 -3.852 -2.721 1.00 0.00 C ATOM 574 C TRP A 481 6.208 -4.953 -1.673 1.00 0.00 C ATOM 575 O TRP A 481 7.190 -5.672 -1.499 1.00 0.00 O ATOM 576 CB TRP A 481 6.676 -4.422 -4.067 1.00 0.00 C ATOM 577 CG TRP A 481 6.489 -3.467 -5.201 1.00 0.00 C ATOM 578 CD1 TRP A 481 7.459 -2.926 -6.000 1.00 0.00 C ATOM 579 CD2 TRP A 481 5.247 -2.931 -5.656 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.888 -2.088 -6.925 1.00 0.00 N ATOM 581 CE2 TRP A 481 5.531 -2.077 -6.736 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.920 -3.098 -5.256 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.536 -1.387 -7.417 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.934 -2.413 -5.929 1.00 0.00 C ATOM 585 CH2 TRP A 481 3.245 -1.569 -7.002 1.00 0.00 C ATOM 0 H TRP A 481 8.085 -2.900 -2.546 1.00 0.00 H new ATOM 0 HA TRP A 481 5.217 -3.454 -2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.728 -4.700 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 481 6.117 -5.335 -4.273 1.00 0.00 H new ATOM 0 HD1 TRP A 481 8.517 -3.128 -5.915 1.00 0.00 H new ATOM 0 HE1 TRP A 481 7.392 -1.559 -7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.672 -3.753 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.772 -0.732 -8.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.904 -2.528 -5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 481 2.448 -1.050 -7.514 1.00 0.00 H new ATOM 596 N ARG A 482 5.096 -5.072 -0.961 1.00 0.00 N ATOM 597 CA ARG A 482 4.939 -6.153 0.003 1.00 0.00 C ATOM 598 C ARG A 482 3.699 -6.975 -0.311 1.00 0.00 C ATOM 599 O ARG A 482 2.637 -6.430 -0.611 1.00 0.00 O ATOM 600 CB ARG A 482 4.849 -5.627 1.441 1.00 0.00 C ATOM 601 CG ARG A 482 6.087 -4.875 1.913 1.00 0.00 C ATOM 602 CD ARG A 482 7.355 -5.696 1.729 1.00 0.00 C ATOM 603 NE ARG A 482 7.358 -6.934 2.516 1.00 0.00 N ATOM 604 CZ ARG A 482 8.405 -7.763 2.576 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.518 -7.472 1.913 1.00 0.00 N ATOM 606 NH2 ARG A 482 8.346 -8.871 3.302 1.00 0.00 N ATOM 0 H ARG A 482 4.297 -4.441 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 482 5.825 -6.782 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.985 -4.967 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.671 -6.467 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.177 -3.940 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.974 -4.613 2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 482 7.471 -5.943 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 482 8.217 -5.091 2.011 1.00 0.00 H new ATOM 0 HE ARG A 482 6.519 -7.174 3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 482 9.573 -6.617 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 482 10.318 -8.103 1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 482 7.497 -9.096 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 482 9.150 -9.498 3.342 1.00 0.00 H new ATOM 620 N ARG A 483 3.843 -8.287 -0.266 1.00 0.00 N ATOM 621 CA ARG A 483 2.701 -9.178 -0.363 1.00 0.00 C ATOM 622 C ARG A 483 2.757 -10.195 0.767 1.00 0.00 C ATOM 623 O ARG A 483 3.542 -11.144 0.728 1.00 0.00 O ATOM 624 CB ARG A 483 2.654 -9.892 -1.716 1.00 0.00 C ATOM 625 CG ARG A 483 1.416 -10.754 -1.872 1.00 0.00 C ATOM 626 CD ARG A 483 1.383 -11.491 -3.198 1.00 0.00 C ATOM 627 NE ARG A 483 0.204 -12.349 -3.285 1.00 0.00 N ATOM 628 CZ ARG A 483 0.257 -13.672 -3.413 1.00 0.00 C ATOM 629 NH1 ARG A 483 1.428 -14.291 -3.522 1.00 0.00 N ATOM 630 NH2 ARG A 483 -0.868 -14.375 -3.418 1.00 0.00 N ATOM 0 H ARG A 483 4.741 -8.760 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 483 1.793 -8.581 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 483 2.681 -9.152 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 483 3.543 -10.514 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 483 1.376 -11.477 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 483 0.528 -10.128 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 483 1.377 -10.773 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 483 2.285 -12.093 -3.307 1.00 0.00 H new ATOM 0 HE ARG A 483 -0.715 -11.907 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 483 2.293 -13.751 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 483 1.461 -15.306 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -1.766 -13.901 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -0.835 -15.390 -3.516 1.00 0.00 H new ATOM 644 N GLY A 484 1.933 -9.973 1.782 1.00 0.00 N ATOM 645 CA GLY A 484 1.952 -10.821 2.952 1.00 0.00 C ATOM 646 C GLY A 484 2.750 -10.204 4.082 1.00 0.00 C ATOM 647 O GLY A 484 3.635 -9.377 3.849 1.00 0.00 O ATOM 0 H GLY A 484 1.250 -9.216 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.930 -11.003 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 484 2.379 -11.789 2.692 1.00 0.00 H new ATOM 651 N HIS A 485 2.428 -10.593 5.303 1.00 0.00 N ATOM 652 CA HIS A 485 3.127 -10.114 6.488 1.00 0.00 C ATOM 653 C HIS A 485 3.319 -11.268 7.459 1.00 0.00 C ATOM 654 O HIS A 485 4.463 -11.758 7.591 1.00 0.00 O ATOM 655 CB HIS A 485 2.353 -8.976 7.174 1.00 0.00 C ATOM 656 CG HIS A 485 2.511 -7.635 6.512 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.683 -6.912 6.529 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.618 -6.887 5.807 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.475 -5.777 5.849 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.238 -5.710 5.393 1.00 0.00 N ATOM 661 OXT HIS A 485 2.317 -11.707 8.059 1.00 0.00 O ATOM 0 H HIS A 485 1.674 -11.250 5.504 1.00 0.00 H new ATOM 0 HA HIS A 485 4.096 -9.721 6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 485 1.294 -9.234 7.197 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.685 -8.899 8.209 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.555 -7.191 6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.594 -7.162 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.224 -5.014 5.694 1.00 0.00 H new