USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 335 hydrogens (3 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 447 HIS HE2 : A 447 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD NoAdj-H: A 449 HIS HE2 : A 449 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD NoAdj-H: A 459 HIS HD1 : A 459 HIS ND1 : A 487 ZNZN :(H bumps) USER MOD NoAdj-H: A 485 HIS HE2 : A 485 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD Single : A 446 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 462 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 463 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 471 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00974) USER MOD Single : A 472 TYR OH : rot 167:sc= -0.559 USER MOD Single : A 474 ASN : amide:sc= -1.36 K(o=-1.4,f=-9.5e-06) USER MOD Single : A 476 LYS NZ :NH3+ 162:sc=-0.00823 (180deg=-0.157) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 160:sc= 0.0829 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -4.595 -8.892 -4.108 1.00 0.00 C HETATM 2 O ACE A 444 -3.980 -9.960 -4.047 1.00 0.00 O HETATM 3 CH3 ACE A 444 -5.991 -8.762 -3.529 1.00 0.00 C HETATM 0 H1 ACE A 444 -5.994 -7.994 -2.755 1.00 0.00 H new HETATM 0 H2 ACE A 444 -6.688 -8.483 -4.319 1.00 0.00 H new HETATM 0 H3 ACE A 444 -6.295 -9.715 -3.096 1.00 0.00 H new ATOM 7 N PRO A 445 -4.067 -7.809 -4.697 1.00 0.00 N ATOM 8 CA PRO A 445 -2.711 -7.790 -5.238 1.00 0.00 C ATOM 9 C PRO A 445 -1.674 -7.478 -4.162 1.00 0.00 C ATOM 10 O PRO A 445 -1.993 -7.448 -2.971 1.00 0.00 O ATOM 11 CB PRO A 445 -2.782 -6.657 -6.257 1.00 0.00 C ATOM 12 CG PRO A 445 -3.749 -5.687 -5.660 1.00 0.00 C ATOM 13 CD PRO A 445 -4.751 -6.510 -4.888 1.00 0.00 C ATOM 0 HA PRO A 445 -2.407 -8.749 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -1.805 -6.200 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -3.125 -7.015 -7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -3.238 -4.982 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -4.242 -5.102 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -5.001 -6.045 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.684 -6.626 -5.440 1.00 0.00 H new ATOM 21 N THR A 446 -0.434 -7.277 -4.574 1.00 0.00 N ATOM 22 CA THR A 446 0.590 -6.793 -3.672 1.00 0.00 C ATOM 23 C THR A 446 0.225 -5.381 -3.228 1.00 0.00 C ATOM 24 O THR A 446 -0.124 -4.546 -4.067 1.00 0.00 O ATOM 25 CB THR A 446 1.959 -6.762 -4.370 1.00 0.00 C ATOM 26 OG1 THR A 446 1.990 -7.730 -5.432 1.00 0.00 O ATOM 27 CG2 THR A 446 3.079 -7.061 -3.390 1.00 0.00 C ATOM 0 H THR A 446 -0.115 -7.442 -5.528 1.00 0.00 H new ATOM 0 HA THR A 446 0.651 -7.462 -2.813 1.00 0.00 H new ATOM 0 HB THR A 446 2.107 -5.761 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 446 2.865 -7.703 -5.873 1.00 0.00 H new ATOM 0 HG21 THR A 446 4.036 -7.032 -3.911 1.00 0.00 H new ATOM 0 HG22 THR A 446 3.076 -6.315 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.930 -8.051 -2.959 1.00 0.00 H new ATOM 35 N HIS A 447 0.277 -5.102 -1.932 1.00 0.00 N ATOM 36 CA HIS A 447 -0.099 -3.670 -1.471 1.00 0.00 C ATOM 37 C HIS A 447 1.141 -2.902 -1.324 1.00 0.00 C ATOM 38 O HIS A 447 2.091 -3.238 -0.608 1.00 0.00 O ATOM 39 CB HIS A 447 -0.947 -3.826 -0.183 1.00 0.00 C ATOM 40 CG HIS A 447 -0.219 -4.192 1.077 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.101 -5.481 1.554 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.402 -3.397 1.984 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.573 -5.429 2.712 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.898 -4.185 3.012 1.00 0.00 N ATOM 0 H HIS A 447 0.546 -5.753 -1.194 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.706 -3.109 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.473 -2.887 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -1.706 -4.587 -0.368 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -0.462 -6.323 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.495 -2.323 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.817 -6.289 3.318 1.00 0.00 H new ATOM 52 N ARG A 448 1.140 -1.798 -2.051 1.00 0.00 N ATOM 53 CA ARG A 448 2.283 -0.899 -2.081 1.00 0.00 C ATOM 54 C ARG A 448 2.415 -0.118 -0.789 1.00 0.00 C ATOM 55 O ARG A 448 1.440 0.410 -0.261 1.00 0.00 O ATOM 56 CB ARG A 448 2.206 0.063 -3.279 1.00 0.00 C ATOM 57 CG ARG A 448 0.902 0.829 -3.418 1.00 0.00 C ATOM 58 CD ARG A 448 0.806 1.496 -4.782 1.00 0.00 C ATOM 59 NE ARG A 448 1.553 2.752 -4.881 1.00 0.00 N ATOM 60 CZ ARG A 448 2.138 3.172 -6.011 1.00 0.00 C ATOM 61 NH1 ARG A 448 2.141 2.389 -7.087 1.00 0.00 N ATOM 62 NH2 ARG A 448 2.745 4.357 -6.060 1.00 0.00 N ATOM 0 H ARG A 448 0.356 -1.501 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 448 3.172 -1.520 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 448 3.022 0.781 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.371 -0.508 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 448 0.060 0.150 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.834 1.583 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.174 0.805 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -0.243 1.689 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 448 1.632 3.336 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 448 1.698 1.471 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 448 2.586 2.707 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.767 4.953 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 448 3.188 4.668 -6.925 1.00 0.00 H new ATOM 76 N HIS A 449 3.626 -0.088 -0.272 1.00 0.00 N ATOM 77 CA HIS A 449 3.960 0.765 0.845 1.00 0.00 C ATOM 78 C HIS A 449 4.459 2.103 0.330 1.00 0.00 C ATOM 79 O HIS A 449 4.970 2.192 -0.781 1.00 0.00 O ATOM 80 CB HIS A 449 5.024 0.108 1.729 1.00 0.00 C ATOM 81 CG HIS A 449 4.453 -0.705 2.846 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.644 -0.406 4.173 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.684 -1.823 2.823 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.007 -1.323 4.899 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.404 -2.205 4.132 1.00 0.00 N ATOM 0 H HIS A 449 4.403 -0.653 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 449 3.066 0.921 1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.655 -0.531 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.667 0.883 2.146 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.180 0.381 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 449 3.344 -2.333 1.934 1.00 0.00 H new ATOM 0 HE1 HIS A 449 3.988 -1.340 5.979 1.00 0.00 H new ATOM 93 N ILE A 450 4.316 3.126 1.144 1.00 0.00 N ATOM 94 CA ILE A 450 4.753 4.463 0.785 1.00 0.00 C ATOM 95 C ILE A 450 6.196 4.653 1.243 1.00 0.00 C ATOM 96 O ILE A 450 6.830 5.685 0.997 1.00 0.00 O ATOM 97 CB ILE A 450 3.798 5.527 1.396 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.295 6.461 0.298 1.00 0.00 C ATOM 99 CG2 ILE A 450 4.447 6.323 2.526 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.534 5.750 -0.801 1.00 0.00 C ATOM 0 H ILE A 450 3.895 3.058 2.071 1.00 0.00 H new ATOM 0 HA ILE A 450 4.718 4.592 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 450 2.956 4.994 1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 450 2.650 7.218 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 450 4.145 6.984 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 450 3.734 7.051 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 450 4.744 5.644 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.326 6.843 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.207 6.476 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 450 3.182 5.012 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.664 5.250 -0.376 1.00 0.00 H new ATOM 112 N ARG A 451 6.694 3.593 1.872 1.00 0.00 N ATOM 113 CA ARG A 451 8.054 3.511 2.391 1.00 0.00 C ATOM 114 C ARG A 451 8.233 4.360 3.645 1.00 0.00 C ATOM 115 O ARG A 451 8.537 5.554 3.575 1.00 0.00 O ATOM 116 CB ARG A 451 9.076 3.899 1.320 1.00 0.00 C ATOM 117 CG ARG A 451 10.520 3.769 1.762 1.00 0.00 C ATOM 118 CD ARG A 451 11.456 4.118 0.624 1.00 0.00 C ATOM 119 NE ARG A 451 12.855 4.040 1.022 1.00 0.00 N ATOM 120 CZ ARG A 451 13.852 4.554 0.313 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.603 5.167 -0.835 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.096 4.443 0.748 1.00 0.00 N ATOM 0 H ARG A 451 6.149 2.747 2.039 1.00 0.00 H new ATOM 0 HA ARG A 451 8.231 2.472 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 451 8.919 3.274 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 451 8.893 4.929 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.708 4.428 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 451 10.713 2.751 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.279 3.441 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.236 5.125 0.270 1.00 0.00 H new ATOM 0 HE ARG A 451 13.081 3.563 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 451 12.644 5.244 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.370 5.562 -1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.288 3.963 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 451 15.864 4.837 0.204 1.00 0.00 H new ATOM 136 N GLY A 452 8.032 3.729 4.795 1.00 0.00 N ATOM 137 CA GLY A 452 8.268 4.394 6.061 1.00 0.00 C ATOM 138 C GLY A 452 6.998 4.874 6.728 1.00 0.00 C ATOM 139 O GLY A 452 6.958 5.981 7.269 1.00 0.00 O ATOM 0 H GLY A 452 7.708 2.765 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 452 8.787 3.710 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.930 5.245 5.899 1.00 0.00 H new ATOM 143 N GLU A 453 5.967 4.047 6.713 1.00 0.00 N ATOM 144 CA GLU A 453 4.695 4.402 7.325 1.00 0.00 C ATOM 145 C GLU A 453 4.254 3.294 8.285 1.00 0.00 C ATOM 146 O GLU A 453 5.057 2.444 8.671 1.00 0.00 O ATOM 147 CB GLU A 453 3.627 4.662 6.242 1.00 0.00 C ATOM 148 CG GLU A 453 3.046 3.412 5.588 1.00 0.00 C ATOM 149 CD GLU A 453 4.079 2.550 4.896 1.00 0.00 C ATOM 150 OE1 GLU A 453 4.799 1.805 5.590 1.00 0.00 O ATOM 151 OE2 GLU A 453 4.150 2.581 3.658 1.00 0.00 O ATOM 0 H GLU A 453 5.985 3.122 6.283 1.00 0.00 H new ATOM 0 HA GLU A 453 4.817 5.323 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 453 2.812 5.231 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.066 5.288 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.540 2.817 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.290 3.711 4.862 1.00 0.00 H new ATOM 158 N ALA A 454 2.993 3.315 8.679 1.00 0.00 N ATOM 159 CA ALA A 454 2.454 2.302 9.579 1.00 0.00 C ATOM 160 C ALA A 454 1.705 1.225 8.794 1.00 0.00 C ATOM 161 O ALA A 454 0.804 0.577 9.327 1.00 0.00 O ATOM 162 CB ALA A 454 1.532 2.951 10.598 1.00 0.00 C ATOM 0 H ALA A 454 2.318 4.024 8.391 1.00 0.00 H new ATOM 0 HA ALA A 454 3.283 1.826 10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 454 1.134 2.188 11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 454 2.091 3.686 11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 454 0.710 3.446 10.081 1.00 0.00 H new ATOM 168 N CYS A 455 2.121 1.025 7.538 1.00 0.00 N ATOM 169 CA CYS A 455 1.441 0.129 6.601 1.00 0.00 C ATOM 170 C CYS A 455 0.113 0.748 6.161 1.00 0.00 C ATOM 171 O CYS A 455 -0.765 0.996 6.981 1.00 0.00 O ATOM 172 CB CYS A 455 1.232 -1.272 7.196 1.00 0.00 C ATOM 173 SG CYS A 455 0.361 -2.432 6.090 1.00 0.00 S ATOM 0 H CYS A 455 2.942 1.483 7.143 1.00 0.00 H new ATOM 0 HA CYS A 455 2.079 0.005 5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 455 2.204 -1.694 7.454 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.668 -1.180 8.124 1.00 0.00 H new ATOM 178 N PRO A 456 -0.027 1.019 4.850 1.00 0.00 N ATOM 179 CA PRO A 456 -1.199 1.712 4.280 1.00 0.00 C ATOM 180 C PRO A 456 -2.548 1.082 4.634 1.00 0.00 C ATOM 181 O PRO A 456 -3.555 1.786 4.739 1.00 0.00 O ATOM 182 CB PRO A 456 -0.967 1.609 2.670 1.00 0.00 C ATOM 183 CG PRO A 456 0.505 1.478 2.620 1.00 0.00 C ATOM 184 CD PRO A 456 0.974 0.700 3.812 1.00 0.00 C ATOM 0 HA PRO A 456 -1.258 2.725 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.475 0.750 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -1.323 2.494 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.806 0.974 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 456 0.969 2.464 2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.009 -0.369 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.977 0.999 4.117 1.00 0.00 H new ATOM 192 N LEU A 457 -2.561 -0.236 4.799 1.00 0.00 N ATOM 193 CA LEU A 457 -3.794 -0.969 5.086 1.00 0.00 C ATOM 194 C LEU A 457 -4.504 -0.387 6.310 1.00 0.00 C ATOM 195 O LEU A 457 -3.860 -0.004 7.285 1.00 0.00 O ATOM 196 CB LEU A 457 -3.486 -2.453 5.310 1.00 0.00 C ATOM 197 CG LEU A 457 -2.857 -3.182 4.118 1.00 0.00 C ATOM 198 CD1 LEU A 457 -2.613 -4.644 4.460 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.744 -3.063 2.889 1.00 0.00 C ATOM 0 H LEU A 457 -1.729 -0.823 4.739 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.458 -0.869 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -2.814 -2.542 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.412 -2.962 5.578 1.00 0.00 H new ATOM 0 HG LEU A 457 -1.898 -2.714 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.166 -5.148 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -1.938 -4.710 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.560 -5.122 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.280 -3.587 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -4.718 -3.505 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.871 -2.011 2.632 1.00 0.00 H new ATOM 211 N PRO A 458 -5.846 -0.345 6.298 1.00 0.00 N ATOM 212 CA PRO A 458 -6.666 -0.930 5.233 1.00 0.00 C ATOM 213 C PRO A 458 -6.938 0.014 4.055 1.00 0.00 C ATOM 214 O PRO A 458 -7.921 -0.162 3.334 1.00 0.00 O ATOM 215 CB PRO A 458 -7.964 -1.246 5.972 1.00 0.00 C ATOM 216 CG PRO A 458 -8.082 -0.182 7.015 1.00 0.00 C ATOM 217 CD PRO A 458 -6.678 0.266 7.349 1.00 0.00 C ATOM 0 HA PRO A 458 -6.172 -1.782 4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.818 -1.231 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -7.931 -2.238 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.677 0.654 6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.586 -0.566 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.594 1.353 7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.378 -0.071 8.341 1.00 0.00 H new ATOM 225 N HIS A 459 -6.079 1.007 3.848 1.00 0.00 N ATOM 226 CA HIS A 459 -6.226 1.882 2.691 1.00 0.00 C ATOM 227 C HIS A 459 -5.348 1.384 1.562 1.00 0.00 C ATOM 228 O HIS A 459 -4.305 0.770 1.788 1.00 0.00 O ATOM 229 CB HIS A 459 -5.914 3.348 3.023 1.00 0.00 C ATOM 230 CG HIS A 459 -6.803 3.885 4.099 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.985 4.560 3.824 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.680 3.732 5.438 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.538 4.770 5.005 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.789 4.290 6.011 1.00 0.00 N ATOM 0 H HIS A 459 -5.288 1.224 4.454 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.270 1.851 2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.874 3.434 3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.027 3.954 2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.860 3.258 5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.485 5.271 5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.005 4.333 7.007 1.00 0.00 H new ATOM 242 N ARG A 460 -5.772 1.654 0.349 1.00 0.00 N ATOM 243 CA ARG A 460 -5.114 1.112 -0.824 1.00 0.00 C ATOM 244 C ARG A 460 -4.678 2.248 -1.728 1.00 0.00 C ATOM 245 O ARG A 460 -5.473 3.137 -2.040 1.00 0.00 O ATOM 246 CB ARG A 460 -6.060 0.168 -1.566 1.00 0.00 C ATOM 247 CG ARG A 460 -5.410 -0.571 -2.718 1.00 0.00 C ATOM 248 CD ARG A 460 -6.418 -1.429 -3.459 1.00 0.00 C ATOM 249 NE ARG A 460 -7.017 -2.455 -2.599 1.00 0.00 N ATOM 250 CZ ARG A 460 -7.880 -3.376 -3.033 1.00 0.00 C ATOM 251 NH1 ARG A 460 -8.315 -3.335 -4.284 1.00 0.00 N ATOM 252 NH2 ARG A 460 -8.340 -4.307 -2.203 1.00 0.00 N ATOM 0 H ARG A 460 -6.575 2.249 0.145 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.234 0.545 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.460 -0.560 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.906 0.741 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -4.963 0.146 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -4.602 -1.198 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.205 -0.793 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -5.929 -1.909 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.759 -2.465 -1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -7.990 -2.601 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -8.975 -4.038 -4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -8.034 -4.319 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -8.999 -5.009 -2.539 1.00 0.00 H new ATOM 266 N LEU A 461 -3.413 2.234 -2.117 1.00 0.00 N ATOM 267 CA LEU A 461 -2.867 3.299 -2.928 1.00 0.00 C ATOM 268 C LEU A 461 -2.988 2.984 -4.405 1.00 0.00 C ATOM 269 O LEU A 461 -2.747 1.852 -4.829 1.00 0.00 O ATOM 270 CB LEU A 461 -1.390 3.545 -2.600 1.00 0.00 C ATOM 271 CG LEU A 461 -1.042 3.789 -1.129 1.00 0.00 C ATOM 272 CD1 LEU A 461 -2.053 4.711 -0.461 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.918 2.476 -0.379 1.00 0.00 C ATOM 0 H LEU A 461 -2.749 1.496 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.445 4.195 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.817 2.685 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -1.053 4.406 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 461 -0.075 4.290 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.774 4.862 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.065 5.672 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -3.044 4.260 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.670 2.675 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -1.864 1.937 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -0.131 1.872 -0.830 1.00 0.00 H new ATOM 285 N ASN A 462 -3.354 3.992 -5.180 1.00 0.00 N ATOM 286 CA ASN A 462 -3.277 3.913 -6.627 1.00 0.00 C ATOM 287 C ASN A 462 -1.823 4.112 -7.049 1.00 0.00 C ATOM 288 O ASN A 462 -0.950 4.267 -6.194 1.00 0.00 O ATOM 289 CB ASN A 462 -4.206 4.948 -7.294 1.00 0.00 C ATOM 290 CG ASN A 462 -4.074 6.343 -6.707 1.00 0.00 C ATOM 291 OD1 ASN A 462 -4.664 6.653 -5.680 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.348 7.211 -7.386 1.00 0.00 N ATOM 0 H ASN A 462 -3.710 4.880 -4.826 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.617 2.932 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.986 4.988 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.239 4.616 -7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.266 8.174 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -2.869 6.919 -8.238 1.00 0.00 H new ATOM 299 N SER A 463 -1.557 4.116 -8.347 1.00 0.00 N ATOM 300 CA SER A 463 -0.183 4.159 -8.849 1.00 0.00 C ATOM 301 C SER A 463 0.557 5.438 -8.441 1.00 0.00 C ATOM 302 O SER A 463 1.785 5.502 -8.516 1.00 0.00 O ATOM 303 CB SER A 463 -0.192 4.006 -10.367 1.00 0.00 C ATOM 304 OG SER A 463 -1.306 4.682 -10.926 1.00 0.00 O ATOM 0 H SER A 463 -2.271 4.090 -9.075 1.00 0.00 H new ATOM 0 HA SER A 463 0.360 3.330 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.732 4.407 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.229 2.949 -10.632 1.00 0.00 H new ATOM 0 HG SER A 463 -1.298 4.576 -11.900 1.00 0.00 H new ATOM 310 N LEU A 464 -0.184 6.441 -7.988 1.00 0.00 N ATOM 311 CA LEU A 464 0.416 7.700 -7.555 1.00 0.00 C ATOM 312 C LEU A 464 0.612 7.735 -6.039 1.00 0.00 C ATOM 313 O LEU A 464 1.031 8.748 -5.489 1.00 0.00 O ATOM 314 CB LEU A 464 -0.443 8.884 -7.998 1.00 0.00 C ATOM 315 CG LEU A 464 -0.621 9.033 -9.509 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.504 10.229 -9.818 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.730 9.176 -10.200 1.00 0.00 C ATOM 0 H LEU A 464 -1.201 6.409 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 464 1.396 7.775 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.428 8.789 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 464 0.002 9.800 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.104 8.133 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.623 10.324 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.481 10.089 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.042 11.134 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.580 9.281 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.243 10.059 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.335 8.291 -10.003 1.00 0.00 H new ATOM 329 N GLY A 465 0.290 6.636 -5.364 1.00 0.00 N ATOM 330 CA GLY A 465 0.612 6.518 -3.950 1.00 0.00 C ATOM 331 C GLY A 465 -0.446 7.085 -3.020 1.00 0.00 C ATOM 332 O GLY A 465 -0.209 7.203 -1.822 1.00 0.00 O ATOM 0 H GLY A 465 -0.185 5.828 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.764 5.466 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.557 7.028 -3.760 1.00 0.00 H new ATOM 336 N GLY A 466 -1.605 7.431 -3.553 1.00 0.00 N ATOM 337 CA GLY A 466 -2.668 7.957 -2.714 1.00 0.00 C ATOM 338 C GLY A 466 -3.806 6.975 -2.569 1.00 0.00 C ATOM 339 O GLY A 466 -3.822 5.951 -3.241 1.00 0.00 O ATOM 0 H GLY A 466 -1.832 7.359 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.268 8.198 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.043 8.887 -3.142 1.00 0.00 H new ATOM 343 N CYS A 467 -4.757 7.261 -1.695 1.00 0.00 N ATOM 344 CA CYS A 467 -5.919 6.393 -1.565 1.00 0.00 C ATOM 345 C CYS A 467 -7.185 7.206 -1.703 1.00 0.00 C ATOM 346 O CYS A 467 -7.211 8.383 -1.346 1.00 0.00 O ATOM 347 CB CYS A 467 -5.947 5.622 -0.225 1.00 0.00 C ATOM 348 SG CYS A 467 -6.487 6.577 1.243 1.00 0.00 S ATOM 0 H CYS A 467 -4.751 8.071 -1.075 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.851 5.654 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.608 4.763 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.947 5.232 -0.032 1.00 0.00 H new ATOM 353 N ARG A 468 -8.224 6.590 -2.244 1.00 0.00 N ATOM 354 CA ARG A 468 -9.550 7.174 -2.180 1.00 0.00 C ATOM 355 C ARG A 468 -9.880 7.407 -0.709 1.00 0.00 C ATOM 356 O ARG A 468 -9.473 6.600 0.147 1.00 0.00 O ATOM 357 CB ARG A 468 -10.567 6.251 -2.854 1.00 0.00 C ATOM 358 CG ARG A 468 -11.983 6.807 -2.913 1.00 0.00 C ATOM 359 CD ARG A 468 -12.048 8.192 -3.544 1.00 0.00 C ATOM 360 NE ARG A 468 -11.391 8.260 -4.848 1.00 0.00 N ATOM 361 CZ ARG A 468 -11.241 9.393 -5.533 1.00 0.00 C ATOM 362 NH1 ARG A 468 -11.745 10.525 -5.061 1.00 0.00 N ATOM 363 NH2 ARG A 468 -10.589 9.399 -6.687 1.00 0.00 N ATOM 0 H ARG A 468 -8.174 5.694 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.587 8.124 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -10.230 6.040 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.585 5.301 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -12.613 6.124 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -12.393 6.853 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -13.092 8.486 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -11.583 8.913 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 468 -11.029 7.397 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -12.248 10.529 -4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -11.630 11.392 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -10.198 8.532 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -10.478 10.270 -7.206 1.00 0.00 H new ATOM 377 N CYS A 469 -10.554 8.524 -0.423 1.00 0.00 N ATOM 378 CA CYS A 469 -10.774 9.013 0.929 1.00 0.00 C ATOM 379 C CYS A 469 -9.554 9.817 1.357 1.00 0.00 C ATOM 380 O CYS A 469 -8.418 9.467 1.024 1.00 0.00 O ATOM 381 CB CYS A 469 -11.057 7.891 1.936 1.00 0.00 C ATOM 382 SG CYS A 469 -9.629 7.497 2.992 1.00 0.00 S ATOM 0 H CYS A 469 -10.967 9.120 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.666 9.640 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.898 8.181 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.359 6.994 1.395 1.00 0.00 H new ATOM 387 N GLY A 470 -9.800 10.893 2.076 1.00 0.00 N ATOM 388 CA GLY A 470 -8.743 11.792 2.507 1.00 0.00 C ATOM 389 C GLY A 470 -7.878 11.209 3.606 1.00 0.00 C ATOM 390 O GLY A 470 -7.788 11.761 4.699 1.00 0.00 O ATOM 0 H GLY A 470 -10.734 11.170 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.115 12.041 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.187 12.723 2.858 1.00 0.00 H new ATOM 394 N LYS A 471 -7.253 10.082 3.317 1.00 0.00 N ATOM 395 CA LYS A 471 -6.328 9.458 4.252 1.00 0.00 C ATOM 396 C LYS A 471 -4.896 9.572 3.729 1.00 0.00 C ATOM 397 O LYS A 471 -4.048 10.199 4.360 1.00 0.00 O ATOM 398 CB LYS A 471 -6.715 7.989 4.501 1.00 0.00 C ATOM 399 CG LYS A 471 -6.231 7.435 5.841 1.00 0.00 C ATOM 400 CD LYS A 471 -4.728 7.202 5.866 1.00 0.00 C ATOM 401 CE LYS A 471 -4.256 6.698 7.221 1.00 0.00 C ATOM 402 NZ LYS A 471 -4.291 7.758 8.266 1.00 0.00 N ATOM 0 H LYS A 471 -7.368 9.576 2.439 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.386 9.981 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.800 7.897 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.307 7.376 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -6.501 8.129 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -6.745 6.496 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.460 6.479 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -4.212 8.131 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -4.883 5.863 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -3.239 6.316 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -3.897 7.384 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -3.726 8.573 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -5.274 8.058 8.423 1.00 0.00 H new ATOM 416 N TYR A 472 -4.630 8.973 2.574 1.00 0.00 N ATOM 417 CA TYR A 472 -3.298 9.035 1.979 1.00 0.00 C ATOM 418 C TYR A 472 -3.287 9.950 0.765 1.00 0.00 C ATOM 419 O TYR A 472 -4.079 9.768 -0.166 1.00 0.00 O ATOM 420 CB TYR A 472 -2.804 7.640 1.586 1.00 0.00 C ATOM 421 CG TYR A 472 -2.367 6.800 2.765 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.242 7.146 3.502 1.00 0.00 C ATOM 423 CD2 TYR A 472 -3.082 5.670 3.153 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.835 6.394 4.585 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.682 4.915 4.241 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.558 5.285 4.955 1.00 0.00 C ATOM 427 OH TYR A 472 -1.159 4.548 6.049 1.00 0.00 O ATOM 0 H TYR A 472 -5.313 8.442 2.033 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.622 9.443 2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.599 7.118 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.969 7.741 0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.674 8.021 3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.961 5.379 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.048 6.676 5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.245 4.040 4.531 1.00 0.00 H new ATOM 0 HH TYR A 472 -1.875 3.930 6.306 1.00 0.00 H new ATOM 437 N PRO A 473 -2.394 10.953 0.767 1.00 0.00 N ATOM 438 CA PRO A 473 -2.230 11.867 -0.361 1.00 0.00 C ATOM 439 C PRO A 473 -1.399 11.238 -1.481 1.00 0.00 C ATOM 440 O PRO A 473 -0.909 10.117 -1.341 1.00 0.00 O ATOM 441 CB PRO A 473 -1.493 13.051 0.261 1.00 0.00 C ATOM 442 CG PRO A 473 -0.690 12.460 1.369 1.00 0.00 C ATOM 443 CD PRO A 473 -1.471 11.274 1.876 1.00 0.00 C ATOM 0 HA PRO A 473 -3.178 12.138 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -0.854 13.547 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.191 13.800 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 473 0.294 12.154 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -0.530 13.188 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.816 10.434 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.014 11.515 2.790 1.00 0.00 H new ATOM 451 N ASN A 474 -1.230 11.968 -2.581 1.00 0.00 N ATOM 452 CA ASN A 474 -0.473 11.467 -3.731 1.00 0.00 C ATOM 453 C ASN A 474 1.016 11.435 -3.425 1.00 0.00 C ATOM 454 O ASN A 474 1.714 12.437 -3.557 1.00 0.00 O ATOM 455 CB ASN A 474 -0.730 12.311 -4.990 1.00 0.00 C ATOM 456 CG ASN A 474 -2.075 12.032 -5.646 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.208 12.121 -6.865 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.083 11.700 -4.852 1.00 0.00 N ATOM 0 H ASN A 474 -1.606 12.908 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.818 10.452 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -0.676 13.367 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 474 0.064 12.122 -5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.003 11.509 -5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.938 11.635 -3.844 1.00 0.00 H new ATOM 465 N LEU A 475 1.487 10.277 -2.997 1.00 0.00 N ATOM 466 CA LEU A 475 2.886 10.076 -2.680 1.00 0.00 C ATOM 467 C LEU A 475 3.530 9.179 -3.721 1.00 0.00 C ATOM 468 O LEU A 475 3.466 7.954 -3.635 1.00 0.00 O ATOM 469 CB LEU A 475 3.042 9.486 -1.272 1.00 0.00 C ATOM 470 CG LEU A 475 2.694 10.451 -0.135 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.816 9.765 1.215 1.00 0.00 C ATOM 472 CD2 LEU A 475 3.592 11.679 -0.180 1.00 0.00 C ATOM 0 H LEU A 475 0.907 9.449 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 475 3.393 11.041 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.407 8.604 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.071 9.151 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 475 1.660 10.768 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.564 10.471 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.133 8.916 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.839 9.415 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 475 3.329 12.352 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 475 4.633 11.373 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 475 3.458 12.193 -1.132 1.00 0.00 H new ATOM 484 N LYS A 476 4.125 9.808 -4.723 1.00 0.00 N ATOM 485 CA LYS A 476 4.671 9.087 -5.814 1.00 0.00 C ATOM 486 C LYS A 476 6.149 8.553 -5.375 1.00 0.00 C ATOM 487 O LYS A 476 6.964 8.128 -6.200 1.00 0.00 O ATOM 488 CB LYS A 476 4.944 10.004 -7.032 1.00 0.00 C ATOM 489 CG LYS A 476 6.024 11.063 -6.869 1.00 0.00 C ATOM 490 CD LYS A 476 6.186 11.901 -8.129 1.00 0.00 C ATOM 491 CE LYS A 476 5.320 13.147 -8.097 1.00 0.00 C ATOM 492 NZ LYS A 476 5.826 14.148 -7.120 1.00 0.00 N ATOM 0 H LYS A 476 4.232 10.821 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 476 3.962 8.300 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 476 5.214 9.372 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.013 10.507 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 476 5.773 11.712 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 476 6.972 10.582 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 476 7.231 12.189 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.925 11.300 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 476 5.289 13.593 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 476 4.297 12.872 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 5.415 15.079 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.555 13.862 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 6.862 14.204 -7.185 1.00 0.00 H new ATOM 506 N LYS A 477 6.387 8.574 -4.072 1.00 0.00 N ATOM 507 CA LYS A 477 7.647 8.127 -3.500 1.00 0.00 C ATOM 508 C LYS A 477 7.794 6.619 -3.667 1.00 0.00 C ATOM 509 O LYS A 477 6.802 5.897 -3.589 1.00 0.00 O ATOM 510 CB LYS A 477 7.721 8.550 -2.022 1.00 0.00 C ATOM 511 CG LYS A 477 8.895 7.967 -1.249 1.00 0.00 C ATOM 512 CD LYS A 477 8.985 8.544 0.159 1.00 0.00 C ATOM 513 CE LYS A 477 9.173 10.053 0.126 1.00 0.00 C ATOM 514 NZ LYS A 477 9.389 10.623 1.484 1.00 0.00 N ATOM 0 H LYS A 477 5.711 8.902 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 477 8.478 8.596 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 477 7.776 9.637 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.796 8.254 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 477 8.791 6.883 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 477 9.821 8.171 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 477 8.079 8.300 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 477 9.817 8.083 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 477 10.025 10.297 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 477 8.296 10.517 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 9.512 11.653 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 8.565 10.414 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 10.241 10.201 1.906 1.00 0.00 H new ATOM 528 N PRO A 478 9.036 6.152 -3.943 1.00 0.00 N ATOM 529 CA PRO A 478 9.362 4.741 -4.176 1.00 0.00 C ATOM 530 C PRO A 478 8.543 3.783 -3.314 1.00 0.00 C ATOM 531 O PRO A 478 8.832 3.581 -2.133 1.00 0.00 O ATOM 532 CB PRO A 478 10.858 4.650 -3.817 1.00 0.00 C ATOM 533 CG PRO A 478 11.314 6.056 -3.537 1.00 0.00 C ATOM 534 CD PRO A 478 10.239 6.977 -4.059 1.00 0.00 C ATOM 0 HA PRO A 478 9.135 4.446 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 478 11.010 4.012 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.428 4.213 -4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.466 6.207 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 478 12.267 6.258 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 478 10.164 7.890 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.427 7.278 -5.089 1.00 0.00 H new ATOM 542 N THR A 479 7.511 3.215 -3.920 1.00 0.00 N ATOM 543 CA THR A 479 6.578 2.351 -3.225 1.00 0.00 C ATOM 544 C THR A 479 7.101 0.922 -3.126 1.00 0.00 C ATOM 545 O THR A 479 7.487 0.313 -4.126 1.00 0.00 O ATOM 546 CB THR A 479 5.217 2.371 -3.944 1.00 0.00 C ATOM 547 OG1 THR A 479 5.416 2.356 -5.365 1.00 0.00 O ATOM 548 CG2 THR A 479 4.435 3.608 -3.542 1.00 0.00 C ATOM 0 H THR A 479 7.300 3.343 -4.910 1.00 0.00 H new ATOM 0 HA THR A 479 6.460 2.729 -2.209 1.00 0.00 H new ATOM 0 HB THR A 479 4.650 1.486 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.596 2.050 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.474 3.614 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.271 3.600 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.998 4.500 -3.817 1.00 0.00 H new ATOM 556 N VAL A 480 7.112 0.399 -1.910 1.00 0.00 N ATOM 557 CA VAL A 480 7.620 -0.937 -1.651 1.00 0.00 C ATOM 558 C VAL A 480 6.490 -1.952 -1.720 1.00 0.00 C ATOM 559 O VAL A 480 5.592 -1.959 -0.878 1.00 0.00 O ATOM 560 CB VAL A 480 8.295 -1.023 -0.268 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.972 -2.371 -0.071 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.289 0.110 -0.089 1.00 0.00 C ATOM 0 H VAL A 480 6.771 0.885 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 480 8.364 -1.160 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 480 7.520 -0.925 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.440 -2.403 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.229 -3.165 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.733 -2.512 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.756 0.033 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 480 10.056 0.047 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.770 1.065 -0.170 1.00 0.00 H new ATOM 572 N TRP A 481 6.532 -2.793 -2.734 1.00 0.00 N ATOM 573 CA TRP A 481 5.510 -3.807 -2.928 1.00 0.00 C ATOM 574 C TRP A 481 5.692 -4.956 -1.947 1.00 0.00 C ATOM 575 O TRP A 481 6.603 -5.770 -2.094 1.00 0.00 O ATOM 576 CB TRP A 481 5.544 -4.322 -4.366 1.00 0.00 C ATOM 577 CG TRP A 481 5.227 -3.249 -5.360 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.107 -2.565 -6.152 1.00 0.00 C ATOM 579 CD2 TRP A 481 3.932 -2.719 -5.649 1.00 0.00 C ATOM 580 NE1 TRP A 481 5.431 -1.639 -6.910 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.097 -1.714 -6.617 1.00 0.00 C ATOM 582 CE3 TRP A 481 2.650 -2.992 -5.171 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.024 -0.992 -7.125 1.00 0.00 C ATOM 584 CZ3 TRP A 481 1.584 -2.274 -5.675 1.00 0.00 C ATOM 585 CH2 TRP A 481 1.670 -1.277 -6.638 1.00 0.00 C ATOM 0 H TRP A 481 7.267 -2.795 -3.441 1.00 0.00 H new ATOM 0 HA TRP A 481 4.537 -3.353 -2.740 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.531 -4.732 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 481 4.829 -5.138 -4.475 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.174 -2.728 -6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 481 5.855 -1.000 -7.582 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.494 -3.752 -4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.185 -0.228 -7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 0.603 -2.507 -5.289 1.00 0.00 H new ATOM 0 HH2 TRP A 481 0.801 -0.749 -7.003 1.00 0.00 H new ATOM 596 N ARG A 482 4.832 -5.007 -0.936 1.00 0.00 N ATOM 597 CA ARG A 482 4.897 -6.059 0.067 1.00 0.00 C ATOM 598 C ARG A 482 3.571 -6.798 0.171 1.00 0.00 C ATOM 599 O ARG A 482 2.505 -6.184 0.199 1.00 0.00 O ATOM 600 CB ARG A 482 5.262 -5.484 1.441 1.00 0.00 C ATOM 601 CG ARG A 482 6.612 -4.788 1.474 1.00 0.00 C ATOM 602 CD ARG A 482 7.733 -5.708 1.013 1.00 0.00 C ATOM 603 NE ARG A 482 7.826 -6.922 1.824 1.00 0.00 N ATOM 604 CZ ARG A 482 8.169 -8.112 1.338 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.463 -8.248 0.051 1.00 0.00 N ATOM 606 NH2 ARG A 482 8.229 -9.165 2.142 1.00 0.00 N ATOM 0 H ARG A 482 4.082 -4.331 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 482 5.672 -6.759 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 482 4.491 -4.776 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 482 5.261 -6.291 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.581 -3.905 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.818 -4.443 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 482 7.569 -5.982 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 482 8.681 -5.172 1.056 1.00 0.00 H new ATOM 0 HE ARG A 482 7.616 -6.852 2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.426 -7.439 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 482 8.726 -9.162 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 482 8.012 -9.063 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 482 8.492 -10.077 1.769 1.00 0.00 H new ATOM 620 N ARG A 483 3.649 -8.116 0.217 1.00 0.00 N ATOM 621 CA ARG A 483 2.481 -8.945 0.476 1.00 0.00 C ATOM 622 C ARG A 483 2.899 -10.124 1.347 1.00 0.00 C ATOM 623 O ARG A 483 2.335 -11.218 1.285 1.00 0.00 O ATOM 624 CB ARG A 483 1.832 -9.403 -0.839 1.00 0.00 C ATOM 625 CG ARG A 483 0.464 -10.050 -0.653 1.00 0.00 C ATOM 626 CD ARG A 483 -0.292 -10.155 -1.967 1.00 0.00 C ATOM 627 NE ARG A 483 0.446 -10.908 -2.980 1.00 0.00 N ATOM 628 CZ ARG A 483 -0.080 -11.327 -4.127 1.00 0.00 C ATOM 629 NH1 ARG A 483 -1.360 -11.099 -4.405 1.00 0.00 N ATOM 630 NH2 ARG A 483 0.685 -11.974 -4.993 1.00 0.00 N ATOM 0 H ARG A 483 4.513 -8.639 0.078 1.00 0.00 H new ATOM 0 HA ARG A 483 1.727 -8.366 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 483 1.731 -8.544 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.496 -10.112 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 483 0.587 -11.044 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 483 -0.121 -9.466 0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 483 -1.254 -10.636 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 483 -0.500 -9.154 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 483 1.425 -11.125 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 483 -1.946 -10.599 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -1.756 -11.424 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 483 1.667 -12.146 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 483 0.292 -12.300 -5.876 1.00 0.00 H new ATOM 644 N GLY A 484 3.913 -9.879 2.170 1.00 0.00 N ATOM 645 CA GLY A 484 4.353 -10.867 3.136 1.00 0.00 C ATOM 646 C GLY A 484 3.673 -10.675 4.479 1.00 0.00 C ATOM 647 O GLY A 484 4.090 -11.237 5.490 1.00 0.00 O ATOM 0 H GLY A 484 4.441 -9.007 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 484 4.139 -11.867 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 484 5.434 -10.798 3.261 1.00 0.00 H new ATOM 651 N HIS A 485 2.636 -9.852 4.481 1.00 0.00 N ATOM 652 CA HIS A 485 1.834 -9.605 5.666 1.00 0.00 C ATOM 653 C HIS A 485 0.527 -8.956 5.235 1.00 0.00 C ATOM 654 O HIS A 485 -0.538 -9.407 5.684 1.00 0.00 O ATOM 655 CB HIS A 485 2.583 -8.729 6.690 1.00 0.00 C ATOM 656 CG HIS A 485 2.861 -7.324 6.245 1.00 0.00 C ATOM 657 ND1 HIS A 485 4.101 -6.868 5.861 1.00 0.00 N ATOM 658 CD2 HIS A 485 2.026 -6.261 6.146 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.977 -5.568 5.552 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.735 -5.153 5.705 1.00 0.00 N ATOM 661 OXT HIS A 485 0.580 -8.049 4.373 1.00 0.00 O ATOM 0 H HIS A 485 2.327 -9.336 3.657 1.00 0.00 H new ATOM 0 HA HIS A 485 1.628 -10.552 6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 485 1.999 -8.693 7.610 1.00 0.00 H new ATOM 0 HB3 HIS A 485 3.530 -9.211 6.932 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.959 -7.418 5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.971 -6.274 6.375 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.791 -4.941 5.220 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.887 -3.513 4.731 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.472 5.696 2.104 1.00 0.00 ZN