USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=7 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 Set 1.1: A 471 LYS NZ :NH3+ -169:sc= 2.18 (180deg=1.22) USER MOD Set 1.2: A 472 TYR OH : rot 2:sc= 1.2 USER MOD Set 2.1: A 462 ASN :FLIP amide:sc= -2.32! C(o=-3.1!,f=-1.8!) USER MOD Set 2.2: A 463 SER OG : rot -43:sc= 0.48 USER MOD Single : A 446 THR OG1 : rot 96:sc= 1.36 USER MOD Single : A 474 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -110:sc= 0.387 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 36:sc= 0.218 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -5.059 -7.160 -6.222 1.00 0.00 C HETATM 2 O ACE A 444 -4.693 -8.329 -6.118 1.00 0.00 O HETATM 3 CH3 ACE A 444 -6.530 -6.797 -6.159 1.00 0.00 C HETATM 0 H1 ACE A 444 -6.701 -6.116 -5.325 1.00 0.00 H new HETATM 0 H2 ACE A 444 -6.825 -6.312 -7.090 1.00 0.00 H new HETATM 0 H3 ACE A 444 -7.122 -7.701 -6.017 1.00 0.00 H new ATOM 7 N PRO A 445 -4.185 -6.160 -6.412 1.00 0.00 N ATOM 8 CA PRO A 445 -2.743 -6.377 -6.477 1.00 0.00 C ATOM 9 C PRO A 445 -2.095 -6.410 -5.097 1.00 0.00 C ATOM 10 O PRO A 445 -2.768 -6.254 -4.075 1.00 0.00 O ATOM 11 CB PRO A 445 -2.263 -5.158 -7.261 1.00 0.00 C ATOM 12 CG PRO A 445 -3.209 -4.069 -6.882 1.00 0.00 C ATOM 13 CD PRO A 445 -4.532 -4.734 -6.586 1.00 0.00 C ATOM 0 HA PRO A 445 -2.486 -7.335 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -1.236 -4.899 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -2.283 -5.344 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -2.845 -3.525 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -3.311 -3.345 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -4.993 -4.323 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.241 -4.592 -7.402 1.00 0.00 H new ATOM 21 N THR A 446 -0.787 -6.625 -5.074 1.00 0.00 N ATOM 22 CA THR A 446 -0.024 -6.536 -3.840 1.00 0.00 C ATOM 23 C THR A 446 -0.064 -5.102 -3.330 1.00 0.00 C ATOM 24 O THR A 446 -0.097 -4.167 -4.132 1.00 0.00 O ATOM 25 CB THR A 446 1.434 -6.967 -4.065 1.00 0.00 C ATOM 26 OG1 THR A 446 1.985 -6.261 -5.187 1.00 0.00 O ATOM 27 CG2 THR A 446 1.518 -8.461 -4.317 1.00 0.00 C ATOM 0 H THR A 446 -0.233 -6.862 -5.897 1.00 0.00 H new ATOM 0 HA THR A 446 -0.467 -7.206 -3.103 1.00 0.00 H new ATOM 0 HB THR A 446 2.005 -6.729 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 446 2.473 -5.473 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 446 2.558 -8.746 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 446 1.121 -8.998 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 446 0.935 -8.714 -5.203 1.00 0.00 H new ATOM 35 N HIS A 447 -0.057 -4.907 -2.019 1.00 0.00 N ATOM 36 CA HIS A 447 -0.285 -3.570 -1.501 1.00 0.00 C ATOM 37 C HIS A 447 1.029 -2.826 -1.301 1.00 0.00 C ATOM 38 O HIS A 447 2.055 -3.411 -0.929 1.00 0.00 O ATOM 39 CB HIS A 447 -1.142 -3.570 -0.224 1.00 0.00 C ATOM 40 CG HIS A 447 -0.463 -4.060 1.017 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.454 -5.376 1.423 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.214 -3.369 1.969 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.212 -5.445 2.584 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.638 -4.253 2.954 1.00 0.00 N ATOM 0 H HIS A 447 0.098 -5.631 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.861 -3.032 -2.254 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.494 -2.554 -0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.023 -4.187 -0.401 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -0.879 -6.160 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.394 -2.304 1.962 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.378 -6.355 3.142 1.00 0.00 H new ATOM 52 N ARG A 448 0.971 -1.530 -1.564 1.00 0.00 N ATOM 53 CA ARG A 448 2.148 -0.683 -1.588 1.00 0.00 C ATOM 54 C ARG A 448 2.496 -0.183 -0.189 1.00 0.00 C ATOM 55 O ARG A 448 1.615 0.123 0.610 1.00 0.00 O ATOM 56 CB ARG A 448 1.896 0.507 -2.524 1.00 0.00 C ATOM 57 CG ARG A 448 1.422 0.103 -3.911 1.00 0.00 C ATOM 58 CD ARG A 448 1.349 1.295 -4.853 1.00 0.00 C ATOM 59 NE ARG A 448 0.891 0.916 -6.191 1.00 0.00 N ATOM 60 CZ ARG A 448 1.669 0.947 -7.278 1.00 0.00 C ATOM 61 NH1 ARG A 448 2.945 1.311 -7.183 1.00 0.00 N ATOM 62 NH2 ARG A 448 1.176 0.612 -8.468 1.00 0.00 N ATOM 0 H ARG A 448 0.102 -1.036 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 448 2.992 -1.269 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.152 1.162 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.815 1.085 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.100 -0.645 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.439 -0.363 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 448 0.673 2.043 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 448 2.333 1.759 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 448 -0.076 0.611 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.336 1.569 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 448 3.533 1.332 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 448 0.200 0.330 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 448 1.774 0.638 -9.294 1.00 0.00 H new ATOM 76 N HIS A 449 3.671 -0.140 0.107 1.00 0.00 N ATOM 77 CA HIS A 449 4.267 0.436 1.347 1.00 0.00 C ATOM 78 C HIS A 449 4.985 1.743 1.066 1.00 0.00 C ATOM 79 O HIS A 449 5.888 1.790 0.229 1.00 0.00 O ATOM 80 CB HIS A 449 5.215 -0.528 2.068 1.00 0.00 C ATOM 81 CG HIS A 449 4.557 -1.359 3.124 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.229 -1.938 4.177 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.260 -1.708 3.271 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.333 -2.612 4.911 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.122 -2.500 4.402 1.00 0.00 N ATOM 0 H HIS A 449 4.385 -0.521 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 449 3.424 0.624 2.012 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.671 -1.190 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.022 0.046 2.523 1.00 0.00 H new ATOM 0 HD1 HIS A 449 6.229 -1.867 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.456 -1.416 2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.572 -3.173 5.802 1.00 0.00 H new ATOM 93 N ILE A 450 4.576 2.803 1.739 1.00 0.00 N ATOM 94 CA ILE A 450 5.246 4.084 1.599 1.00 0.00 C ATOM 95 C ILE A 450 6.471 4.115 2.502 1.00 0.00 C ATOM 96 O ILE A 450 6.361 3.891 3.709 1.00 0.00 O ATOM 97 CB ILE A 450 4.320 5.286 1.933 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.219 5.457 0.876 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.128 6.571 2.049 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.121 4.419 0.948 1.00 0.00 C ATOM 0 H ILE A 450 3.787 2.803 2.385 1.00 0.00 H new ATOM 0 HA ILE A 450 5.538 4.186 0.554 1.00 0.00 H new ATOM 0 HB ILE A 450 3.845 5.075 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 450 2.775 6.446 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.673 5.420 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.461 7.400 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 450 5.868 6.465 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.635 6.769 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.385 4.613 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.549 3.427 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.637 4.469 1.923 1.00 0.00 H new ATOM 112 N ARG A 451 7.636 4.340 1.898 1.00 0.00 N ATOM 113 CA ARG A 451 8.896 4.434 2.633 1.00 0.00 C ATOM 114 C ARG A 451 8.771 5.392 3.824 1.00 0.00 C ATOM 115 O ARG A 451 8.812 6.611 3.654 1.00 0.00 O ATOM 116 CB ARG A 451 10.015 4.943 1.713 1.00 0.00 C ATOM 117 CG ARG A 451 10.287 4.086 0.484 1.00 0.00 C ATOM 118 CD ARG A 451 10.711 2.673 0.844 1.00 0.00 C ATOM 119 NE ARG A 451 11.917 2.630 1.672 1.00 0.00 N ATOM 120 CZ ARG A 451 13.019 1.945 1.352 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.098 1.305 0.194 1.00 0.00 N ATOM 122 NH2 ARG A 451 14.046 1.902 2.195 1.00 0.00 N ATOM 0 H ARG A 451 7.733 4.462 0.890 1.00 0.00 H new ATOM 0 HA ARG A 451 9.136 3.435 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.762 5.951 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 451 10.934 5.018 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 451 9.390 4.047 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 451 11.067 4.554 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 451 9.896 2.179 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 451 10.885 2.108 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 451 11.916 3.155 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 451 12.315 1.334 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 451 13.942 0.784 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 451 13.994 2.392 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 451 14.886 1.379 1.949 1.00 0.00 H new ATOM 136 N GLY A 452 8.589 4.841 5.021 1.00 0.00 N ATOM 137 CA GLY A 452 8.526 5.673 6.205 1.00 0.00 C ATOM 138 C GLY A 452 7.425 5.267 7.163 1.00 0.00 C ATOM 139 O GLY A 452 7.559 5.444 8.378 1.00 0.00 O ATOM 0 H GLY A 452 8.485 3.840 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.484 5.629 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.373 6.710 5.905 1.00 0.00 H new ATOM 143 N GLU A 453 6.333 4.720 6.638 1.00 0.00 N ATOM 144 CA GLU A 453 5.203 4.346 7.483 1.00 0.00 C ATOM 145 C GLU A 453 5.027 2.826 7.508 1.00 0.00 C ATOM 146 O GLU A 453 5.467 2.129 6.596 1.00 0.00 O ATOM 147 CB GLU A 453 3.921 5.043 7.016 1.00 0.00 C ATOM 148 CG GLU A 453 2.760 4.892 7.989 1.00 0.00 C ATOM 149 CD GLU A 453 1.542 5.705 7.603 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.444 6.120 6.436 1.00 0.00 O ATOM 151 OE2 GLU A 453 0.667 5.921 8.470 1.00 0.00 O ATOM 0 H GLU A 453 6.206 4.527 5.644 1.00 0.00 H new ATOM 0 HA GLU A 453 5.411 4.677 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.126 6.103 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 453 3.628 4.638 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.481 3.840 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 453 3.088 5.193 8.984 1.00 0.00 H new ATOM 158 N ALA A 454 4.394 2.333 8.571 1.00 0.00 N ATOM 159 CA ALA A 454 4.228 0.898 8.795 1.00 0.00 C ATOM 160 C ALA A 454 3.416 0.221 7.693 1.00 0.00 C ATOM 161 O ALA A 454 3.970 -0.437 6.819 1.00 0.00 O ATOM 162 CB ALA A 454 3.577 0.658 10.151 1.00 0.00 C ATOM 0 H ALA A 454 3.982 2.916 9.300 1.00 0.00 H new ATOM 0 HA ALA A 454 5.222 0.451 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.456 -0.413 10.312 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.208 1.074 10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.600 1.141 10.176 1.00 0.00 H new ATOM 168 N CYS A 455 2.101 0.377 7.743 1.00 0.00 N ATOM 169 CA CYS A 455 1.223 -0.259 6.774 1.00 0.00 C ATOM 170 C CYS A 455 0.029 0.647 6.477 1.00 0.00 C ATOM 171 O CYS A 455 -0.726 1.012 7.373 1.00 0.00 O ATOM 172 CB CYS A 455 0.757 -1.623 7.299 1.00 0.00 C ATOM 173 SG CYS A 455 -0.088 -2.656 6.060 1.00 0.00 S ATOM 0 H CYS A 455 1.619 0.939 8.445 1.00 0.00 H new ATOM 0 HA CYS A 455 1.772 -0.420 5.846 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.621 -2.167 7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.084 -1.464 8.142 1.00 0.00 H new ATOM 178 N PRO A 456 -0.134 1.028 5.200 1.00 0.00 N ATOM 179 CA PRO A 456 -1.174 1.977 4.755 1.00 0.00 C ATOM 180 C PRO A 456 -2.611 1.466 4.920 1.00 0.00 C ATOM 181 O PRO A 456 -3.563 2.223 4.738 1.00 0.00 O ATOM 182 CB PRO A 456 -0.860 2.174 3.265 1.00 0.00 C ATOM 183 CG PRO A 456 0.548 1.714 3.104 1.00 0.00 C ATOM 184 CD PRO A 456 0.712 0.597 4.082 1.00 0.00 C ATOM 0 HA PRO A 456 -1.144 2.885 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.539 1.595 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.970 3.218 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.737 1.376 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.251 2.521 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.383 -0.356 3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.752 0.472 4.384 1.00 0.00 H new ATOM 192 N LEU A 457 -2.768 0.192 5.261 1.00 0.00 N ATOM 193 CA LEU A 457 -4.093 -0.390 5.449 1.00 0.00 C ATOM 194 C LEU A 457 -4.826 0.297 6.602 1.00 0.00 C ATOM 195 O LEU A 457 -4.195 0.774 7.549 1.00 0.00 O ATOM 196 CB LEU A 457 -3.984 -1.897 5.695 1.00 0.00 C ATOM 197 CG LEU A 457 -3.398 -2.700 4.528 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.306 -4.175 4.879 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.223 -2.504 3.264 1.00 0.00 C ATOM 0 H LEU A 457 -1.996 -0.457 5.413 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.672 -0.232 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.366 -2.063 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.976 -2.286 5.923 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.391 -2.329 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.887 -4.724 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.663 -4.302 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.301 -4.558 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.786 -3.084 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.245 -2.839 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.229 -1.448 2.994 1.00 0.00 H new ATOM 211 N PRO A 458 -6.166 0.356 6.546 1.00 0.00 N ATOM 212 CA PRO A 458 -6.967 -0.284 5.500 1.00 0.00 C ATOM 213 C PRO A 458 -7.134 0.570 4.239 1.00 0.00 C ATOM 214 O PRO A 458 -8.060 0.355 3.452 1.00 0.00 O ATOM 215 CB PRO A 458 -8.311 -0.473 6.192 1.00 0.00 C ATOM 216 CG PRO A 458 -8.423 0.695 7.113 1.00 0.00 C ATOM 217 CD PRO A 458 -7.017 1.062 7.522 1.00 0.00 C ATOM 0 HA PRO A 458 -6.500 -1.199 5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.129 -0.491 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.347 -1.415 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.913 1.533 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.026 0.444 7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.859 2.140 7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.802 0.744 8.542 1.00 0.00 H new ATOM 225 N HIS A 459 -6.248 1.537 4.046 1.00 0.00 N ATOM 226 CA HIS A 459 -6.262 2.336 2.828 1.00 0.00 C ATOM 227 C HIS A 459 -5.495 1.609 1.740 1.00 0.00 C ATOM 228 O HIS A 459 -4.646 0.762 2.018 1.00 0.00 O ATOM 229 CB HIS A 459 -5.679 3.734 3.062 1.00 0.00 C ATOM 230 CG HIS A 459 -6.300 4.440 4.229 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.377 5.300 4.087 1.00 0.00 N ATOM 232 CD2 HIS A 459 -5.979 4.335 5.545 1.00 0.00 C ATOM 233 CE1 HIS A 459 -7.669 5.677 5.330 1.00 0.00 C ATOM 234 NE2 HIS A 459 -6.852 5.122 6.235 1.00 0.00 N ATOM 0 H HIS A 459 -5.516 1.786 4.711 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.297 2.470 2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.604 3.651 3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.820 4.335 2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.182 3.740 5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.473 6.353 5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -6.878 5.261 7.245 1.00 0.00 H new ATOM 242 N ARG A 460 -5.789 1.942 0.503 1.00 0.00 N ATOM 243 CA ARG A 460 -5.208 1.229 -0.630 1.00 0.00 C ATOM 244 C ARG A 460 -4.567 2.211 -1.590 1.00 0.00 C ATOM 245 O ARG A 460 -5.154 3.236 -1.918 1.00 0.00 O ATOM 246 CB ARG A 460 -6.260 0.388 -1.372 1.00 0.00 C ATOM 247 CG ARG A 460 -6.554 -0.975 -0.750 1.00 0.00 C ATOM 248 CD ARG A 460 -7.516 -0.885 0.428 1.00 0.00 C ATOM 249 NE ARG A 460 -7.829 -2.208 0.981 1.00 0.00 N ATOM 250 CZ ARG A 460 -9.034 -2.574 1.421 1.00 0.00 C ATOM 251 NH1 ARG A 460 -10.063 -1.741 1.323 1.00 0.00 N ATOM 252 NH2 ARG A 460 -9.220 -3.783 1.940 1.00 0.00 N ATOM 0 H ARG A 460 -6.424 2.699 0.249 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.449 0.551 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.189 0.956 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -5.925 0.237 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -6.976 -1.634 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.620 -1.428 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.079 -0.260 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.437 -0.398 0.108 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.075 -2.893 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.934 -0.817 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -10.983 -2.025 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -8.439 -4.436 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -10.143 -4.058 2.275 1.00 0.00 H new ATOM 266 N LEU A 461 -3.367 1.897 -2.042 1.00 0.00 N ATOM 267 CA LEU A 461 -2.618 2.804 -2.897 1.00 0.00 C ATOM 268 C LEU A 461 -2.749 2.369 -4.345 1.00 0.00 C ATOM 269 O LEU A 461 -2.153 1.373 -4.755 1.00 0.00 O ATOM 270 CB LEU A 461 -1.134 2.851 -2.503 1.00 0.00 C ATOM 271 CG LEU A 461 -0.831 3.150 -1.025 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.700 4.287 -0.503 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.985 1.903 -0.165 1.00 0.00 C ATOM 0 H LEU A 461 -2.889 1.021 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.033 3.804 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.682 1.893 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.642 3.608 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 461 0.209 3.470 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.463 4.475 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -1.509 5.188 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.751 4.013 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.764 2.148 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -2.007 1.533 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -0.294 1.134 -0.512 1.00 0.00 H new ATOM 285 N ASN A 462 -3.524 3.120 -5.119 1.00 0.00 N ATOM 286 CA ASN A 462 -3.805 2.744 -6.501 1.00 0.00 C ATOM 287 C ASN A 462 -2.554 2.823 -7.377 1.00 0.00 C ATOM 288 O ASN A 462 -2.470 2.144 -8.399 1.00 0.00 O ATOM 289 CB ASN A 462 -4.966 3.578 -7.090 1.00 0.00 C ATOM 290 CG ASN A 462 -4.831 5.091 -6.917 1.00 0.00 C ATOM 291 OD1 ASN A 462 -3.648 5.634 -7.143 1.00 0.00 O flip ATOM 292 ND2 ASN A 462 -5.813 5.670 -6.635 1.00 0.00 N flip ATOM 0 H ASN A 462 -3.967 3.988 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 462 -4.124 1.702 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -5.049 3.356 -8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.897 3.256 -6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -6.681 5.157 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -5.798 6.686 -6.545 1.00 0.00 H new ATOM 299 N SER A 463 -1.569 3.625 -6.961 1.00 0.00 N ATOM 300 CA SER A 463 -0.331 3.766 -7.727 1.00 0.00 C ATOM 301 C SER A 463 0.703 4.632 -7.007 1.00 0.00 C ATOM 302 O SER A 463 1.642 4.116 -6.410 1.00 0.00 O ATOM 303 CB SER A 463 -0.633 4.354 -9.114 1.00 0.00 C ATOM 304 OG SER A 463 -1.449 5.514 -9.003 1.00 0.00 O ATOM 0 H SER A 463 -1.605 4.181 -6.106 1.00 0.00 H new ATOM 0 HA SER A 463 0.097 2.770 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.300 4.607 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 463 -1.136 3.608 -9.729 1.00 0.00 H new ATOM 0 HG SER A 463 -2.159 5.353 -8.347 1.00 0.00 H new ATOM 310 N LEU A 464 0.497 5.944 -7.041 1.00 0.00 N ATOM 311 CA LEU A 464 1.493 6.916 -6.571 1.00 0.00 C ATOM 312 C LEU A 464 1.664 6.907 -5.051 1.00 0.00 C ATOM 313 O LEU A 464 2.416 7.707 -4.502 1.00 0.00 O ATOM 314 CB LEU A 464 1.093 8.321 -7.033 1.00 0.00 C ATOM 315 CG LEU A 464 0.905 8.484 -8.545 1.00 0.00 C ATOM 316 CD1 LEU A 464 0.470 9.900 -8.874 1.00 0.00 C ATOM 317 CD2 LEU A 464 2.181 8.132 -9.295 1.00 0.00 C ATOM 0 H LEU A 464 -0.361 6.369 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 464 2.451 6.627 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 464 0.163 8.598 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 464 1.855 9.026 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 464 0.124 7.795 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 464 0.341 10.000 -9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -0.474 10.116 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.230 10.603 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 464 2.020 8.256 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 464 2.987 8.790 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 464 2.452 7.097 -9.087 1.00 0.00 H new ATOM 329 N GLY A 465 0.990 5.994 -4.378 1.00 0.00 N ATOM 330 CA GLY A 465 1.016 5.984 -2.934 1.00 0.00 C ATOM 331 C GLY A 465 -0.162 6.732 -2.354 1.00 0.00 C ATOM 332 O GLY A 465 -0.166 7.091 -1.181 1.00 0.00 O ATOM 0 H GLY A 465 0.425 5.259 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.007 4.955 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.944 6.435 -2.583 1.00 0.00 H new ATOM 336 N GLY A 466 -1.161 6.969 -3.193 1.00 0.00 N ATOM 337 CA GLY A 466 -2.371 7.620 -2.749 1.00 0.00 C ATOM 338 C GLY A 466 -3.524 6.649 -2.635 1.00 0.00 C ATOM 339 O GLY A 466 -3.612 5.692 -3.406 1.00 0.00 O ATOM 0 H GLY A 466 -1.151 6.718 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.196 8.091 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.633 8.415 -3.448 1.00 0.00 H new ATOM 343 N CYS A 467 -4.417 6.904 -1.688 1.00 0.00 N ATOM 344 CA CYS A 467 -5.540 6.014 -1.440 1.00 0.00 C ATOM 345 C CYS A 467 -6.843 6.677 -1.835 1.00 0.00 C ATOM 346 O CYS A 467 -7.885 6.025 -1.858 1.00 0.00 O ATOM 347 CB CYS A 467 -5.597 5.567 0.028 1.00 0.00 C ATOM 348 SG CYS A 467 -5.844 6.909 1.240 1.00 0.00 S ATOM 0 H CYS A 467 -4.384 7.721 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.393 5.126 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.406 4.845 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.670 5.047 0.269 1.00 0.00 H new ATOM 353 N ARG A 468 -6.775 7.986 -2.109 1.00 0.00 N ATOM 354 CA ARG A 468 -7.919 8.764 -2.604 1.00 0.00 C ATOM 355 C ARG A 468 -8.971 8.989 -1.515 1.00 0.00 C ATOM 356 O ARG A 468 -9.348 10.121 -1.235 1.00 0.00 O ATOM 357 CB ARG A 468 -8.544 8.074 -3.820 1.00 0.00 C ATOM 358 CG ARG A 468 -9.518 8.937 -4.605 1.00 0.00 C ATOM 359 CD ARG A 468 -10.009 8.207 -5.845 1.00 0.00 C ATOM 360 NE ARG A 468 -8.900 7.584 -6.569 1.00 0.00 N ATOM 361 CZ ARG A 468 -8.670 7.729 -7.874 1.00 0.00 C ATOM 362 NH1 ARG A 468 -9.501 8.425 -8.636 1.00 0.00 N ATOM 363 NH2 ARG A 468 -7.611 7.143 -8.422 1.00 0.00 N ATOM 0 H ARG A 468 -5.924 8.537 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 468 -7.546 9.744 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -7.746 7.750 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -9.063 7.176 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -10.366 9.202 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -9.033 9.869 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -10.733 7.444 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -10.527 8.907 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 468 -8.257 6.997 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -10.328 8.858 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -9.313 8.528 -9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -6.980 6.587 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -7.429 7.249 -9.420 1.00 0.00 H new ATOM 377 N CYS A 469 -9.413 7.901 -0.890 1.00 0.00 N ATOM 378 CA CYS A 469 -10.483 7.933 0.109 1.00 0.00 C ATOM 379 C CYS A 469 -10.228 8.879 1.273 1.00 0.00 C ATOM 380 O CYS A 469 -11.156 9.228 1.994 1.00 0.00 O ATOM 381 CB CYS A 469 -10.718 6.548 0.708 1.00 0.00 C ATOM 382 SG CYS A 469 -9.236 5.480 0.889 1.00 0.00 S ATOM 0 H CYS A 469 -9.039 6.968 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.351 8.291 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.172 6.673 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.444 6.024 0.086 1.00 0.00 H new ATOM 387 N GLY A 470 -8.988 9.270 1.486 1.00 0.00 N ATOM 388 CA GLY A 470 -8.643 9.875 2.736 1.00 0.00 C ATOM 389 C GLY A 470 -7.384 9.267 3.271 1.00 0.00 C ATOM 390 O GLY A 470 -7.242 8.040 3.289 1.00 0.00 O ATOM 0 H GLY A 470 -8.222 9.178 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.510 10.949 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.454 9.739 3.451 1.00 0.00 H new ATOM 394 N LYS A 471 -6.477 10.144 3.582 1.00 0.00 N ATOM 395 CA LYS A 471 -5.150 9.866 4.166 1.00 0.00 C ATOM 396 C LYS A 471 -4.074 10.073 3.117 1.00 0.00 C ATOM 397 O LYS A 471 -3.359 11.072 3.134 1.00 0.00 O ATOM 398 CB LYS A 471 -5.000 8.461 4.786 1.00 0.00 C ATOM 399 CG LYS A 471 -3.705 8.318 5.574 1.00 0.00 C ATOM 400 CD LYS A 471 -3.522 6.931 6.167 1.00 0.00 C ATOM 401 CE LYS A 471 -2.274 6.884 7.042 1.00 0.00 C ATOM 402 NZ LYS A 471 -1.799 5.494 7.297 1.00 0.00 N ATOM 0 H LYS A 471 -6.630 11.142 3.435 1.00 0.00 H new ATOM 0 HA LYS A 471 -5.039 10.571 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -5.847 8.263 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.027 7.711 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -2.862 8.542 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -3.691 9.055 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.398 6.663 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -3.440 6.195 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -1.478 7.453 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -2.485 7.371 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -1.070 5.507 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -2.598 4.905 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -1.396 5.099 6.423 1.00 0.00 H new ATOM 416 N TYR A 472 -3.977 9.130 2.200 1.00 0.00 N ATOM 417 CA TYR A 472 -3.020 9.214 1.118 1.00 0.00 C ATOM 418 C TYR A 472 -3.669 9.882 -0.094 1.00 0.00 C ATOM 419 O TYR A 472 -4.649 9.359 -0.634 1.00 0.00 O ATOM 420 CB TYR A 472 -2.539 7.818 0.738 1.00 0.00 C ATOM 421 CG TYR A 472 -1.941 7.046 1.882 1.00 0.00 C ATOM 422 CD1 TYR A 472 -0.661 7.332 2.329 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.653 6.030 2.510 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.103 6.628 3.370 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.098 5.323 3.552 1.00 0.00 C ATOM 426 CZ TYR A 472 -0.825 5.625 3.980 1.00 0.00 C ATOM 427 OH TYR A 472 -0.275 4.910 5.016 1.00 0.00 O ATOM 0 H TYR A 472 -4.556 8.290 2.185 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.167 9.808 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.378 7.254 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.798 7.904 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.094 8.119 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.652 5.793 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.896 6.860 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.659 4.535 4.032 1.00 0.00 H new ATOM 0 HH TYR A 472 0.619 5.258 5.215 1.00 0.00 H new ATOM 437 N PRO A 473 -3.162 11.042 -0.518 1.00 0.00 N ATOM 438 CA PRO A 473 -3.661 11.744 -1.697 1.00 0.00 C ATOM 439 C PRO A 473 -3.044 11.188 -2.978 1.00 0.00 C ATOM 440 O PRO A 473 -3.573 10.252 -3.579 1.00 0.00 O ATOM 441 CB PRO A 473 -3.229 13.203 -1.464 1.00 0.00 C ATOM 442 CG PRO A 473 -2.387 13.203 -0.217 1.00 0.00 C ATOM 443 CD PRO A 473 -2.066 11.772 0.111 1.00 0.00 C ATOM 0 HA PRO A 473 -4.738 11.636 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -2.662 13.581 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -4.097 13.851 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -1.472 13.775 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -2.922 13.675 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.098 11.473 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.032 11.602 1.187 1.00 0.00 H new ATOM 451 N ASN A 474 -1.919 11.762 -3.387 1.00 0.00 N ATOM 452 CA ASN A 474 -1.119 11.201 -4.470 1.00 0.00 C ATOM 453 C ASN A 474 0.294 11.000 -3.978 1.00 0.00 C ATOM 454 O ASN A 474 0.751 9.875 -3.792 1.00 0.00 O ATOM 455 CB ASN A 474 -1.100 12.100 -5.718 1.00 0.00 C ATOM 456 CG ASN A 474 -2.464 12.345 -6.351 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.665 13.358 -7.022 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.413 11.443 -6.147 1.00 0.00 N ATOM 0 H ASN A 474 -1.539 12.618 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 474 -1.572 10.253 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -0.662 13.061 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.445 11.649 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.340 11.578 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.216 10.614 -5.587 1.00 0.00 H new ATOM 465 N LEU A 475 0.956 12.126 -3.769 1.00 0.00 N ATOM 466 CA LEU A 475 2.316 12.207 -3.210 1.00 0.00 C ATOM 467 C LEU A 475 3.384 11.713 -4.186 1.00 0.00 C ATOM 468 O LEU A 475 4.408 12.371 -4.377 1.00 0.00 O ATOM 469 CB LEU A 475 2.408 11.434 -1.891 1.00 0.00 C ATOM 470 CG LEU A 475 1.487 11.932 -0.670 1.00 0.00 C ATOM 471 CD1 LEU A 475 1.635 11.069 0.463 1.00 0.00 C ATOM 472 CD2 LEU A 475 1.671 13.386 -0.456 1.00 0.00 C ATOM 0 H LEU A 475 0.560 13.041 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 475 2.513 13.263 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.161 10.392 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.446 11.457 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 475 0.426 11.840 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.003 11.425 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.339 10.056 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 475 2.676 11.068 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.043 13.714 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 475 2.716 13.590 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.389 13.925 -1.360 1.00 0.00 H new ATOM 484 N LYS A 476 3.128 10.555 -4.671 1.00 0.00 N ATOM 485 CA LYS A 476 4.059 9.901 -5.697 1.00 0.00 C ATOM 486 C LYS A 476 5.367 9.543 -4.991 1.00 0.00 C ATOM 487 O LYS A 476 6.432 10.076 -5.302 1.00 0.00 O ATOM 488 CB LYS A 476 4.327 10.765 -6.932 1.00 0.00 C ATOM 489 CG LYS A 476 5.128 10.036 -7.999 1.00 0.00 C ATOM 490 CD LYS A 476 5.325 10.883 -9.240 1.00 0.00 C ATOM 491 CE LYS A 476 6.184 10.153 -10.254 1.00 0.00 C ATOM 492 NZ LYS A 476 6.359 10.926 -11.509 1.00 0.00 N ATOM 0 H LYS A 476 2.312 9.996 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 476 3.561 9.010 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 476 3.377 11.089 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.865 11.664 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 476 6.100 9.755 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 476 4.616 9.112 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.357 11.123 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.795 11.829 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 476 7.162 9.948 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 476 5.730 9.189 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 6.953 10.385 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.430 11.100 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 6.817 11.835 -11.296 1.00 0.00 H new ATOM 506 N LYS A 477 5.263 8.679 -3.997 1.00 0.00 N ATOM 507 CA LYS A 477 6.424 8.162 -3.302 1.00 0.00 C ATOM 508 C LYS A 477 6.756 6.752 -3.776 1.00 0.00 C ATOM 509 O LYS A 477 5.872 6.025 -4.230 1.00 0.00 O ATOM 510 CB LYS A 477 6.155 8.173 -1.806 1.00 0.00 C ATOM 511 CG LYS A 477 6.558 9.471 -1.134 1.00 0.00 C ATOM 512 CD LYS A 477 6.166 10.696 -1.945 1.00 0.00 C ATOM 513 CE LYS A 477 6.877 11.942 -1.456 1.00 0.00 C ATOM 514 NZ LYS A 477 6.626 13.104 -2.346 1.00 0.00 N ATOM 0 H LYS A 477 4.374 8.318 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 477 7.283 8.796 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.093 7.997 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.695 7.348 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 477 6.092 9.527 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 477 7.636 9.474 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 477 6.405 10.529 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.088 10.844 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.543 12.179 -0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 477 7.949 11.751 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.498 13.343 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.878 12.864 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.326 13.920 -1.775 1.00 0.00 H new ATOM 528 N PRO A 478 8.037 6.348 -3.690 1.00 0.00 N ATOM 529 CA PRO A 478 8.452 4.993 -4.052 1.00 0.00 C ATOM 530 C PRO A 478 7.762 3.951 -3.179 1.00 0.00 C ATOM 531 O PRO A 478 8.021 3.860 -1.974 1.00 0.00 O ATOM 532 CB PRO A 478 9.967 4.995 -3.812 1.00 0.00 C ATOM 533 CG PRO A 478 10.213 6.139 -2.895 1.00 0.00 C ATOM 534 CD PRO A 478 9.176 7.169 -3.239 1.00 0.00 C ATOM 0 HA PRO A 478 8.188 4.736 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.297 4.056 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 478 10.514 5.115 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.127 5.830 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.219 6.537 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 478 8.915 7.784 -2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.522 7.846 -4.021 1.00 0.00 H new ATOM 542 N THR A 479 6.871 3.184 -3.783 1.00 0.00 N ATOM 543 CA THR A 479 6.067 2.235 -3.039 1.00 0.00 C ATOM 544 C THR A 479 6.695 0.843 -3.037 1.00 0.00 C ATOM 545 O THR A 479 7.122 0.334 -4.074 1.00 0.00 O ATOM 546 CB THR A 479 4.625 2.179 -3.585 1.00 0.00 C ATOM 547 OG1 THR A 479 4.620 2.055 -5.014 1.00 0.00 O ATOM 548 CG2 THR A 479 3.856 3.426 -3.176 1.00 0.00 C ATOM 0 H THR A 479 6.687 3.201 -4.786 1.00 0.00 H new ATOM 0 HA THR A 479 6.030 2.584 -2.007 1.00 0.00 H new ATOM 0 HB THR A 479 4.140 1.301 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.370 1.491 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 479 2.840 3.372 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 479 3.822 3.492 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.354 4.309 -3.578 1.00 0.00 H new ATOM 556 N VAL A 480 6.765 0.253 -1.854 1.00 0.00 N ATOM 557 CA VAL A 480 7.371 -1.060 -1.671 1.00 0.00 C ATOM 558 C VAL A 480 6.302 -2.148 -1.671 1.00 0.00 C ATOM 559 O VAL A 480 5.205 -1.994 -1.246 1.00 0.00 O ATOM 560 CB VAL A 480 8.056 -1.160 -0.288 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.071 -2.287 -0.253 1.00 0.00 C ATOM 562 CG2 VAL A 480 8.712 0.156 0.088 1.00 0.00 C ATOM 0 H VAL A 480 6.405 0.668 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 480 8.084 -1.190 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 480 7.281 -1.382 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.534 -2.329 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.571 -3.233 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.838 -2.109 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.187 0.060 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.464 0.414 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 480 7.957 0.941 0.127 1.00 0.00 H new ATOM 572 N TRP A 481 6.618 -3.236 -2.467 1.00 0.00 N ATOM 573 CA TRP A 481 5.651 -4.308 -2.677 1.00 0.00 C ATOM 574 C TRP A 481 5.591 -5.253 -1.492 1.00 0.00 C ATOM 575 O TRP A 481 6.530 -6.003 -1.224 1.00 0.00 O ATOM 576 CB TRP A 481 5.985 -5.077 -3.948 1.00 0.00 C ATOM 577 CG TRP A 481 5.741 -4.262 -5.172 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.622 -3.986 -6.174 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.526 -3.595 -5.505 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.019 -3.195 -7.120 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.733 -2.938 -6.729 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.283 -3.489 -4.877 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.734 -2.193 -7.345 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.293 -2.753 -5.487 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.525 -2.107 -6.708 1.00 0.00 C ATOM 0 H TRP A 481 7.511 -3.363 -2.944 1.00 0.00 H new ATOM 0 HA TRP A 481 4.668 -3.849 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.030 -5.387 -3.921 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.384 -5.985 -3.991 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.642 -4.337 -6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.458 -2.854 -7.975 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.102 -3.976 -3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.905 -1.700 -8.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.324 -2.672 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.732 -1.528 -7.157 1.00 0.00 H new ATOM 596 N ARG A 482 4.486 -5.204 -0.767 1.00 0.00 N ATOM 597 CA ARG A 482 4.289 -6.099 0.361 1.00 0.00 C ATOM 598 C ARG A 482 3.156 -7.081 0.105 1.00 0.00 C ATOM 599 O ARG A 482 2.002 -6.690 -0.107 1.00 0.00 O ATOM 600 CB ARG A 482 4.036 -5.322 1.657 1.00 0.00 C ATOM 601 CG ARG A 482 5.297 -5.056 2.468 1.00 0.00 C ATOM 602 CD ARG A 482 6.387 -4.401 1.639 1.00 0.00 C ATOM 603 NE ARG A 482 7.699 -4.534 2.268 1.00 0.00 N ATOM 604 CZ ARG A 482 8.707 -5.239 1.747 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.572 -5.849 0.572 1.00 0.00 N ATOM 606 NH2 ARG A 482 9.856 -5.320 2.398 1.00 0.00 N ATOM 0 H ARG A 482 3.715 -4.558 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 482 5.212 -6.668 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.564 -4.370 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 482 3.330 -5.879 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.053 -4.415 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.669 -5.996 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.411 -4.853 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 482 6.155 -3.345 1.502 1.00 0.00 H new ATOM 0 HE ARG A 482 7.855 -4.060 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 482 7.692 -5.781 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.348 -6.385 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 482 9.969 -4.845 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 482 10.629 -5.857 2.004 1.00 0.00 H new ATOM 620 N ARG A 483 3.513 -8.358 0.103 1.00 0.00 N ATOM 621 CA ARG A 483 2.540 -9.439 0.009 1.00 0.00 C ATOM 622 C ARG A 483 2.809 -10.471 1.099 1.00 0.00 C ATOM 623 O ARG A 483 2.142 -11.502 1.175 1.00 0.00 O ATOM 624 CB ARG A 483 2.596 -10.106 -1.372 1.00 0.00 C ATOM 625 CG ARG A 483 3.901 -10.833 -1.652 1.00 0.00 C ATOM 626 CD ARG A 483 3.894 -11.501 -3.016 1.00 0.00 C ATOM 627 NE ARG A 483 5.076 -12.337 -3.209 1.00 0.00 N ATOM 628 CZ ARG A 483 5.233 -13.199 -4.212 1.00 0.00 C ATOM 629 NH1 ARG A 483 4.309 -13.304 -5.161 1.00 0.00 N ATOM 630 NH2 ARG A 483 6.318 -13.959 -4.270 1.00 0.00 N ATOM 0 H ARG A 483 4.481 -8.674 0.166 1.00 0.00 H new ATOM 0 HA ARG A 483 1.543 -9.020 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 483 1.772 -10.814 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.443 -9.346 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 483 4.729 -10.127 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 483 4.071 -11.584 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 483 2.996 -12.110 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 483 3.855 -10.740 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 483 5.832 -12.255 -2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 483 3.472 -12.722 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 483 4.437 -13.967 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 483 7.033 -13.884 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 483 6.438 -14.619 -5.038 1.00 0.00 H new ATOM 644 N GLY A 484 3.802 -10.176 1.942 1.00 0.00 N ATOM 645 CA GLY A 484 4.164 -11.073 3.026 1.00 0.00 C ATOM 646 C GLY A 484 3.136 -11.067 4.139 1.00 0.00 C ATOM 647 O GLY A 484 3.117 -11.957 4.987 1.00 0.00 O ATOM 0 H GLY A 484 4.363 -9.326 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 484 4.271 -12.086 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 484 5.134 -10.782 3.428 1.00 0.00 H new ATOM 651 N HIS A 485 2.294 -10.046 4.139 1.00 0.00 N ATOM 652 CA HIS A 485 1.192 -9.947 5.074 1.00 0.00 C ATOM 653 C HIS A 485 0.003 -9.323 4.358 1.00 0.00 C ATOM 654 O HIS A 485 -1.053 -9.982 4.284 1.00 0.00 O ATOM 655 CB HIS A 485 1.583 -9.148 6.336 1.00 0.00 C ATOM 656 CG HIS A 485 2.021 -7.732 6.085 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.333 -7.345 5.925 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.283 -6.600 5.964 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.342 -6.018 5.710 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.118 -5.521 5.724 1.00 0.00 N ATOM 661 OXT HIS A 485 0.166 -8.217 3.800 1.00 0.00 O ATOM 0 H HIS A 485 2.358 -9.263 3.489 1.00 0.00 H new ATOM 0 HA HIS A 485 0.922 -10.944 5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.731 -9.133 7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.389 -9.676 6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.150 -7.955 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.207 -6.548 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.235 -5.433 5.547 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.499 -3.754 4.794 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -7.814 6.506 2.397 1.00 0.00 ZN