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 Set 1.1: A 462 ASN : amide:sc= 0.126 K(o=0.79,f=-0.13) USER MOD Set 1.2: A 463 SER OG : rot 180:sc= 0.663 USER MOD Single : A 446 THR OG1 : rot 106:sc= 0.729 USER MOD Single : A 471 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0409) USER MOD Single : A 472 TYR OH : rot 165:sc= -0.0894 USER MOD Single : A 474 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -140:sc= 0.215 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -3.829 -9.435 -4.609 1.00 0.00 C HETATM 2 O ACE A 444 -3.088 -10.419 -4.670 1.00 0.00 O HETATM 3 CH3 ACE A 444 -5.259 -9.570 -4.118 1.00 0.00 C HETATM 0 H1 ACE A 444 -5.401 -8.945 -3.236 1.00 0.00 H new HETATM 0 H2 ACE A 444 -5.945 -9.251 -4.903 1.00 0.00 H new HETATM 0 H3 ACE A 444 -5.459 -10.610 -3.862 1.00 0.00 H new ATOM 7 N PRO A 445 -3.420 -8.215 -4.983 1.00 0.00 N ATOM 8 CA PRO A 445 -2.064 -7.944 -5.441 1.00 0.00 C ATOM 9 C PRO A 445 -1.137 -7.525 -4.304 1.00 0.00 C ATOM 10 O PRO A 445 -1.507 -7.582 -3.128 1.00 0.00 O ATOM 11 CB PRO A 445 -2.286 -6.785 -6.402 1.00 0.00 C ATOM 12 CG PRO A 445 -3.414 -6.010 -5.804 1.00 0.00 C ATOM 13 CD PRO A 445 -4.251 -6.995 -5.013 1.00 0.00 C ATOM 0 HA PRO A 445 -1.582 -8.817 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -1.390 -6.172 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -2.536 -7.141 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -3.038 -5.216 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -4.010 -5.533 -6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -4.459 -6.627 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.213 -7.178 -5.491 1.00 0.00 H new ATOM 21 N THR A 446 0.075 -7.128 -4.658 1.00 0.00 N ATOM 22 CA THR A 446 0.985 -6.524 -3.700 1.00 0.00 C ATOM 23 C THR A 446 0.487 -5.127 -3.334 1.00 0.00 C ATOM 24 O THR A 446 0.186 -4.329 -4.224 1.00 0.00 O ATOM 25 CB THR A 446 2.403 -6.426 -4.291 1.00 0.00 C ATOM 26 OG1 THR A 446 2.322 -6.082 -5.683 1.00 0.00 O ATOM 27 CG2 THR A 446 3.159 -7.732 -4.130 1.00 0.00 C ATOM 0 H THR A 446 0.451 -7.214 -5.602 1.00 0.00 H new ATOM 0 HA THR A 446 1.020 -7.149 -2.807 1.00 0.00 H new ATOM 0 HB THR A 446 2.945 -5.651 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 446 2.580 -5.144 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 446 4.157 -7.630 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 446 3.241 -7.977 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.623 -8.529 -4.646 1.00 0.00 H new ATOM 35 N HIS A 447 0.380 -4.824 -2.044 1.00 0.00 N ATOM 36 CA HIS A 447 -0.109 -3.513 -1.645 1.00 0.00 C ATOM 37 C HIS A 447 1.060 -2.589 -1.333 1.00 0.00 C ATOM 38 O HIS A 447 2.119 -3.032 -0.881 1.00 0.00 O ATOM 39 CB HIS A 447 -1.104 -3.595 -0.473 1.00 0.00 C ATOM 40 CG HIS A 447 -0.524 -4.004 0.851 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.547 -5.295 1.340 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.049 -3.247 1.821 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.002 -5.276 2.567 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.370 -4.057 2.902 1.00 0.00 N ATOM 0 H HIS A 447 0.619 -5.451 -1.276 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.664 -3.092 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.578 -2.621 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -1.890 -4.302 -0.738 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -0.912 -6.115 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.227 -2.183 1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.116 -6.146 3.197 1.00 0.00 H new ATOM 52 N ARG A 448 0.859 -1.305 -1.585 1.00 0.00 N ATOM 53 CA ARG A 448 1.942 -0.340 -1.550 1.00 0.00 C ATOM 54 C ARG A 448 2.228 0.161 -0.140 1.00 0.00 C ATOM 55 O ARG A 448 1.326 0.335 0.678 1.00 0.00 O ATOM 56 CB ARG A 448 1.623 0.853 -2.456 1.00 0.00 C ATOM 57 CG ARG A 448 1.435 0.480 -3.915 1.00 0.00 C ATOM 58 CD ARG A 448 1.304 1.709 -4.803 1.00 0.00 C ATOM 59 NE ARG A 448 1.222 1.349 -6.216 1.00 0.00 N ATOM 60 CZ ARG A 448 2.183 1.598 -7.103 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.290 2.230 -6.733 1.00 0.00 N ATOM 62 NH2 ARG A 448 2.031 1.210 -8.364 1.00 0.00 N ATOM 0 H ARG A 448 -0.051 -0.907 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 448 2.833 -0.854 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 448 0.717 1.339 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.429 1.583 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.282 -0.120 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.544 -0.140 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 448 0.414 2.270 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 448 2.159 2.366 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 448 0.378 0.879 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.408 2.528 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.023 2.418 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 448 1.181 0.724 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 448 2.764 1.398 -9.047 1.00 0.00 H new ATOM 76 N HIS A 449 3.505 0.357 0.128 1.00 0.00 N ATOM 77 CA HIS A 449 3.966 1.048 1.324 1.00 0.00 C ATOM 78 C HIS A 449 4.732 2.300 0.909 1.00 0.00 C ATOM 79 O HIS A 449 5.761 2.186 0.241 1.00 0.00 O ATOM 80 CB HIS A 449 4.890 0.146 2.151 1.00 0.00 C ATOM 81 CG HIS A 449 4.200 -0.754 3.132 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.617 -0.905 4.435 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.134 -1.591 2.985 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.825 -1.807 5.023 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.910 -2.253 4.194 1.00 0.00 N ATOM 0 H HIS A 449 4.260 0.040 -0.481 1.00 0.00 H new ATOM 0 HA HIS A 449 3.101 1.313 1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.475 -0.470 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.594 0.776 2.695 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.395 -0.414 4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.557 -1.721 2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 449 3.925 -2.128 6.049 1.00 0.00 H new ATOM 93 N ILE A 450 4.239 3.482 1.278 1.00 0.00 N ATOM 94 CA ILE A 450 4.935 4.724 0.938 1.00 0.00 C ATOM 95 C ILE A 450 6.328 4.713 1.547 1.00 0.00 C ATOM 96 O ILE A 450 6.486 4.842 2.762 1.00 0.00 O ATOM 97 CB ILE A 450 4.169 5.997 1.387 1.00 0.00 C ATOM 98 CG1 ILE A 450 2.973 6.265 0.469 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.088 7.218 1.411 1.00 0.00 C ATOM 100 CD1 ILE A 450 1.731 5.476 0.830 1.00 0.00 C ATOM 0 H ILE A 450 3.374 3.606 1.804 1.00 0.00 H new ATOM 0 HA ILE A 450 4.997 4.766 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 450 3.805 5.819 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 450 2.737 7.329 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.255 6.029 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.522 8.093 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 450 5.908 7.043 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.491 7.390 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 450 0.929 5.721 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.948 4.409 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.421 5.729 1.844 1.00 0.00 H new ATOM 112 N ARG A 451 7.324 4.494 0.686 1.00 0.00 N ATOM 113 CA ARG A 451 8.720 4.388 1.083 1.00 0.00 C ATOM 114 C ARG A 451 8.928 3.290 2.139 1.00 0.00 C ATOM 115 O ARG A 451 9.969 3.222 2.787 1.00 0.00 O ATOM 116 CB ARG A 451 9.234 5.746 1.567 1.00 0.00 C ATOM 117 CG ARG A 451 10.741 5.817 1.766 1.00 0.00 C ATOM 118 CD ARG A 451 11.524 5.396 0.524 1.00 0.00 C ATOM 119 NE ARG A 451 11.561 3.944 0.347 1.00 0.00 N ATOM 120 CZ ARG A 451 12.489 3.306 -0.365 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.520 3.974 -0.873 1.00 0.00 N ATOM 122 NH2 ARG A 451 12.397 1.995 -0.539 1.00 0.00 N ATOM 0 H ARG A 451 7.177 4.385 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 451 9.303 4.094 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 451 8.939 6.509 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 451 8.744 5.991 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.019 6.835 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 451 11.023 5.176 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.074 5.854 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.543 5.776 0.596 1.00 0.00 H new ATOM 0 HE ARG A 451 10.833 3.387 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.603 4.979 -0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.228 3.482 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 451 11.618 1.479 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 451 13.105 1.502 -1.083 1.00 0.00 H new ATOM 136 N GLY A 452 7.960 2.394 2.260 1.00 0.00 N ATOM 137 CA GLY A 452 8.085 1.303 3.202 1.00 0.00 C ATOM 138 C GLY A 452 7.804 1.731 4.628 1.00 0.00 C ATOM 139 O GLY A 452 8.535 1.359 5.545 1.00 0.00 O ATOM 0 H GLY A 452 7.092 2.403 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 452 7.396 0.506 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 452 9.092 0.889 3.142 1.00 0.00 H new ATOM 143 N GLU A 453 6.748 2.519 4.813 1.00 0.00 N ATOM 144 CA GLU A 453 6.343 2.954 6.141 1.00 0.00 C ATOM 145 C GLU A 453 5.592 1.826 6.862 1.00 0.00 C ATOM 146 O GLU A 453 5.677 0.665 6.449 1.00 0.00 O ATOM 147 CB GLU A 453 5.500 4.239 6.044 1.00 0.00 C ATOM 148 CG GLU A 453 4.159 4.084 5.338 1.00 0.00 C ATOM 149 CD GLU A 453 3.000 4.150 6.309 1.00 0.00 C ATOM 150 OE1 GLU A 453 2.967 5.089 7.130 1.00 0.00 O ATOM 151 OE2 GLU A 453 2.133 3.266 6.259 1.00 0.00 O ATOM 0 H GLU A 453 6.159 2.868 4.057 1.00 0.00 H new ATOM 0 HA GLU A 453 7.229 3.187 6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 453 5.321 4.614 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.082 4.998 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 453 4.050 4.868 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 453 4.135 3.132 4.808 1.00 0.00 H new ATOM 158 N ALA A 454 4.877 2.167 7.933 1.00 0.00 N ATOM 159 CA ALA A 454 4.175 1.179 8.761 1.00 0.00 C ATOM 160 C ALA A 454 3.263 0.272 7.930 1.00 0.00 C ATOM 161 O ALA A 454 3.539 -0.919 7.671 1.00 0.00 O ATOM 162 CB ALA A 454 3.376 1.881 9.852 1.00 0.00 C ATOM 0 H ALA A 454 4.766 3.129 8.253 1.00 0.00 H new ATOM 0 HA ALA A 454 4.930 0.542 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 454 2.860 1.138 10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.051 2.460 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.645 2.548 9.395 1.00 0.00 H new ATOM 168 N CYS A 455 2.186 0.848 7.404 1.00 0.00 N ATOM 169 CA CYS A 455 1.235 0.150 6.536 1.00 0.00 C ATOM 170 C CYS A 455 0.009 1.036 6.317 1.00 0.00 C ATOM 171 O CYS A 455 -0.805 1.203 7.222 1.00 0.00 O ATOM 172 CB CYS A 455 0.783 -1.191 7.120 1.00 0.00 C ATOM 173 SG CYS A 455 -0.194 -2.201 5.959 1.00 0.00 S ATOM 0 H CYS A 455 1.944 1.825 7.569 1.00 0.00 H new ATOM 0 HA CYS A 455 1.743 -0.055 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.661 -1.757 7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.190 -1.006 8.016 1.00 0.00 H new ATOM 178 N PRO A 456 -0.128 1.616 5.116 1.00 0.00 N ATOM 179 CA PRO A 456 -1.226 2.543 4.783 1.00 0.00 C ATOM 180 C PRO A 456 -2.625 1.944 4.930 1.00 0.00 C ATOM 181 O PRO A 456 -3.610 2.678 5.015 1.00 0.00 O ATOM 182 CB PRO A 456 -0.964 2.888 3.319 1.00 0.00 C ATOM 183 CG PRO A 456 0.487 2.639 3.126 1.00 0.00 C ATOM 184 CD PRO A 456 0.813 1.462 3.996 1.00 0.00 C ATOM 0 HA PRO A 456 -1.227 3.393 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.564 2.268 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -1.219 3.926 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.713 2.428 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.076 3.511 3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.667 0.518 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.850 1.482 4.333 1.00 0.00 H new ATOM 192 N LEU A 457 -2.707 0.618 4.955 1.00 0.00 N ATOM 193 CA LEU A 457 -3.992 -0.067 5.044 1.00 0.00 C ATOM 194 C LEU A 457 -4.662 0.221 6.385 1.00 0.00 C ATOM 195 O LEU A 457 -3.986 0.496 7.375 1.00 0.00 O ATOM 196 CB LEU A 457 -3.815 -1.571 4.832 1.00 0.00 C ATOM 197 CG LEU A 457 -3.206 -1.959 3.485 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.185 -3.468 3.333 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.977 -1.316 2.338 1.00 0.00 C ATOM 0 H LEU A 457 -1.899 -0.004 4.915 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.641 0.312 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.183 -1.964 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.787 -2.055 4.929 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.180 -1.591 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.749 -3.731 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.588 -3.906 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.203 -3.853 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.526 -1.606 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.014 -1.650 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.943 -0.231 2.440 1.00 0.00 H new ATOM 211 N PRO A 458 -6.006 0.141 6.446 1.00 0.00 N ATOM 212 CA PRO A 458 -6.855 -0.356 5.354 1.00 0.00 C ATOM 213 C PRO A 458 -7.069 0.649 4.221 1.00 0.00 C ATOM 214 O PRO A 458 -7.874 0.411 3.320 1.00 0.00 O ATOM 215 CB PRO A 458 -8.196 -0.662 6.041 1.00 0.00 C ATOM 216 CG PRO A 458 -7.987 -0.402 7.498 1.00 0.00 C ATOM 217 CD PRO A 458 -6.820 0.536 7.595 1.00 0.00 C ATOM 0 HA PRO A 458 -6.387 -1.213 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.990 -0.031 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.494 -1.696 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.878 0.038 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -7.786 -1.330 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.131 1.579 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.281 0.418 8.535 1.00 0.00 H new ATOM 225 N HIS A 459 -6.359 1.767 4.253 1.00 0.00 N ATOM 226 CA HIS A 459 -6.445 2.726 3.167 1.00 0.00 C ATOM 227 C HIS A 459 -5.609 2.268 1.992 1.00 0.00 C ATOM 228 O HIS A 459 -4.383 2.322 2.010 1.00 0.00 O ATOM 229 CB HIS A 459 -6.062 4.122 3.623 1.00 0.00 C ATOM 230 CG HIS A 459 -7.085 4.695 4.540 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.199 5.351 4.063 1.00 0.00 N ATOM 232 CD2 HIS A 459 -7.133 4.658 5.893 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.895 5.688 5.141 1.00 0.00 C ATOM 234 NE2 HIS A 459 -8.289 5.289 6.269 1.00 0.00 N ATOM 0 H HIS A 459 -5.726 2.028 5.009 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.483 2.778 2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -5.097 4.089 4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.946 4.771 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -6.399 4.215 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.835 6.219 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.624 5.428 7.222 1.00 0.00 H new ATOM 242 N ARG A 460 -6.311 1.833 0.970 1.00 0.00 N ATOM 243 CA ARG A 460 -5.704 1.164 -0.164 1.00 0.00 C ATOM 244 C ARG A 460 -5.236 2.172 -1.198 1.00 0.00 C ATOM 245 O ARG A 460 -5.995 3.045 -1.624 1.00 0.00 O ATOM 246 CB ARG A 460 -6.694 0.163 -0.772 1.00 0.00 C ATOM 247 CG ARG A 460 -7.059 -0.957 0.189 1.00 0.00 C ATOM 248 CD ARG A 460 -8.089 -1.908 -0.397 1.00 0.00 C ATOM 249 NE ARG A 460 -9.384 -1.261 -0.603 1.00 0.00 N ATOM 250 CZ ARG A 460 -10.429 -1.397 0.225 1.00 0.00 C ATOM 251 NH1 ARG A 460 -10.307 -2.084 1.357 1.00 0.00 N ATOM 252 NH2 ARG A 460 -11.595 -0.831 -0.069 1.00 0.00 N ATOM 0 H ARG A 460 -7.324 1.933 0.899 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.827 0.615 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.600 0.690 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.262 -0.266 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -6.160 -1.515 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -7.448 -0.528 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.723 -2.296 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.213 -2.762 0.269 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.499 -0.670 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.414 -2.512 1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -11.107 -2.183 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -11.697 -0.290 -0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -12.388 -0.937 0.564 1.00 0.00 H new ATOM 266 N LEU A 461 -3.974 2.052 -1.574 1.00 0.00 N ATOM 267 CA LEU A 461 -3.354 2.986 -2.493 1.00 0.00 C ATOM 268 C LEU A 461 -3.599 2.547 -3.928 1.00 0.00 C ATOM 269 O LEU A 461 -3.749 1.356 -4.205 1.00 0.00 O ATOM 270 CB LEU A 461 -1.837 3.075 -2.249 1.00 0.00 C ATOM 271 CG LEU A 461 -1.378 3.355 -0.809 1.00 0.00 C ATOM 272 CD1 LEU A 461 -2.210 4.455 -0.168 1.00 0.00 C ATOM 273 CD2 LEU A 461 -1.407 2.091 0.041 1.00 0.00 C ATOM 0 H LEU A 461 -3.355 1.308 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.799 3.967 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.386 2.137 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -1.436 3.859 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 461 -0.345 3.700 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.861 4.629 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.110 5.372 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -3.257 4.153 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -1.077 2.325 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -2.423 1.697 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -0.742 1.345 -0.394 1.00 0.00 H new ATOM 285 N ASN A 462 -3.647 3.506 -4.834 1.00 0.00 N ATOM 286 CA ASN A 462 -3.781 3.193 -6.252 1.00 0.00 C ATOM 287 C ASN A 462 -2.421 3.156 -6.945 1.00 0.00 C ATOM 288 O ASN A 462 -2.076 2.171 -7.594 1.00 0.00 O ATOM 289 CB ASN A 462 -4.722 4.188 -6.953 1.00 0.00 C ATOM 290 CG ASN A 462 -4.536 5.633 -6.506 1.00 0.00 C ATOM 291 OD1 ASN A 462 -5.181 6.087 -5.563 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.659 6.372 -7.176 1.00 0.00 N ATOM 0 H ASN A 462 -3.596 4.502 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 462 -4.222 2.199 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -4.562 4.127 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.754 3.890 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.505 7.345 -6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -3.139 5.966 -7.954 1.00 0.00 H new ATOM 299 N SER A 463 -1.640 4.218 -6.793 1.00 0.00 N ATOM 300 CA SER A 463 -0.359 4.312 -7.481 1.00 0.00 C ATOM 301 C SER A 463 0.610 5.254 -6.766 1.00 0.00 C ATOM 302 O SER A 463 1.620 4.820 -6.211 1.00 0.00 O ATOM 303 CB SER A 463 -0.599 4.782 -8.917 1.00 0.00 C ATOM 304 OG SER A 463 -1.478 5.897 -8.938 1.00 0.00 O ATOM 0 H SER A 463 -1.868 5.020 -6.205 1.00 0.00 H new ATOM 0 HA SER A 463 0.103 3.325 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.350 5.052 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 463 -1.022 3.968 -9.506 1.00 0.00 H new ATOM 0 HG SER A 463 -1.619 6.185 -9.864 1.00 0.00 H new ATOM 310 N LEU A 464 0.274 6.539 -6.749 1.00 0.00 N ATOM 311 CA LEU A 464 1.160 7.575 -6.222 1.00 0.00 C ATOM 312 C LEU A 464 1.047 7.685 -4.708 1.00 0.00 C ATOM 313 O LEU A 464 1.160 8.767 -4.142 1.00 0.00 O ATOM 314 CB LEU A 464 0.832 8.926 -6.869 1.00 0.00 C ATOM 315 CG LEU A 464 1.019 8.985 -8.388 1.00 0.00 C ATOM 316 CD1 LEU A 464 0.639 10.357 -8.916 1.00 0.00 C ATOM 317 CD2 LEU A 464 2.454 8.653 -8.775 1.00 0.00 C ATOM 0 H LEU A 464 -0.617 6.893 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 464 2.185 7.295 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -0.202 9.181 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 464 1.459 9.691 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 464 0.363 8.240 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 464 0.778 10.382 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -0.405 10.562 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.271 11.114 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 464 2.559 8.702 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 464 3.131 9.371 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 464 2.700 7.648 -8.432 1.00 0.00 H new ATOM 329 N GLY A 465 0.807 6.560 -4.062 1.00 0.00 N ATOM 330 CA GLY A 465 0.803 6.523 -2.614 1.00 0.00 C ATOM 331 C GLY A 465 -0.464 7.087 -2.009 1.00 0.00 C ATOM 332 O GLY A 465 -0.588 7.173 -0.792 1.00 0.00 O ATOM 0 H GLY A 465 0.614 5.666 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.929 5.492 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.659 7.085 -2.240 1.00 0.00 H new ATOM 336 N GLY A 466 -1.402 7.472 -2.864 1.00 0.00 N ATOM 337 CA GLY A 466 -2.655 8.016 -2.392 1.00 0.00 C ATOM 338 C GLY A 466 -3.756 6.983 -2.368 1.00 0.00 C ATOM 339 O GLY A 466 -3.690 5.978 -3.077 1.00 0.00 O ATOM 0 H GLY A 466 -1.315 7.416 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.518 8.421 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.953 8.846 -3.033 1.00 0.00 H new ATOM 343 N CYS A 467 -4.771 7.226 -1.554 1.00 0.00 N ATOM 344 CA CYS A 467 -5.911 6.329 -1.484 1.00 0.00 C ATOM 345 C CYS A 467 -7.186 7.087 -1.827 1.00 0.00 C ATOM 346 O CYS A 467 -7.639 7.938 -1.059 1.00 0.00 O ATOM 347 CB CYS A 467 -6.020 5.657 -0.102 1.00 0.00 C ATOM 348 SG CYS A 467 -6.381 6.775 1.297 1.00 0.00 S ATOM 0 H CYS A 467 -4.828 8.035 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.767 5.533 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.802 4.899 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.084 5.138 0.104 1.00 0.00 H new ATOM 353 N ARG A 468 -7.760 6.769 -2.985 1.00 0.00 N ATOM 354 CA ARG A 468 -8.933 7.479 -3.511 1.00 0.00 C ATOM 355 C ARG A 468 -10.116 7.460 -2.542 1.00 0.00 C ATOM 356 O ARG A 468 -11.018 8.287 -2.645 1.00 0.00 O ATOM 357 CB ARG A 468 -9.343 6.893 -4.862 1.00 0.00 C ATOM 358 CG ARG A 468 -8.438 7.337 -6.000 1.00 0.00 C ATOM 359 CD ARG A 468 -8.795 6.664 -7.314 1.00 0.00 C ATOM 360 NE ARG A 468 -8.489 5.232 -7.305 1.00 0.00 N ATOM 361 CZ ARG A 468 -8.214 4.521 -8.399 1.00 0.00 C ATOM 362 NH1 ARG A 468 -8.211 5.102 -9.592 1.00 0.00 N ATOM 363 NH2 ARG A 468 -7.923 3.230 -8.290 1.00 0.00 N ATOM 0 H ARG A 468 -7.429 6.015 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.645 8.522 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.331 5.805 -4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.369 7.188 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -8.508 8.418 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -7.402 7.110 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -9.857 6.805 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -8.250 7.145 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 468 -8.486 4.749 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -8.420 6.097 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -8.000 4.554 -10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -7.910 2.786 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -7.712 2.683 -9.124 1.00 0.00 H new ATOM 377 N CYS A 469 -10.103 6.524 -1.598 1.00 0.00 N ATOM 378 CA CYS A 469 -11.128 6.476 -0.554 1.00 0.00 C ATOM 379 C CYS A 469 -11.020 7.647 0.410 1.00 0.00 C ATOM 380 O CYS A 469 -11.847 7.800 1.302 1.00 0.00 O ATOM 381 CB CYS A 469 -11.019 5.196 0.269 1.00 0.00 C ATOM 382 SG CYS A 469 -9.321 4.663 0.652 1.00 0.00 S ATOM 0 H CYS A 469 -9.398 5.790 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 469 -12.084 6.517 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.558 5.338 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.522 4.393 -0.269 1.00 0.00 H new ATOM 387 N GLY A 470 -9.975 8.441 0.269 1.00 0.00 N ATOM 388 CA GLY A 470 -9.708 9.463 1.239 1.00 0.00 C ATOM 389 C GLY A 470 -8.800 8.939 2.320 1.00 0.00 C ATOM 390 O GLY A 470 -9.025 7.835 2.833 1.00 0.00 O ATOM 0 H GLY A 470 -9.309 8.392 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -9.246 10.322 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -10.644 9.810 1.678 1.00 0.00 H new ATOM 394 N LYS A 471 -7.689 9.635 2.486 1.00 0.00 N ATOM 395 CA LYS A 471 -6.765 9.516 3.638 1.00 0.00 C ATOM 396 C LYS A 471 -5.382 9.994 3.205 1.00 0.00 C ATOM 397 O LYS A 471 -4.962 11.102 3.534 1.00 0.00 O ATOM 398 CB LYS A 471 -6.673 8.074 4.183 1.00 0.00 C ATOM 399 CG LYS A 471 -6.174 7.937 5.628 1.00 0.00 C ATOM 400 CD LYS A 471 -4.768 8.477 5.829 1.00 0.00 C ATOM 401 CE LYS A 471 -4.155 7.998 7.146 1.00 0.00 C ATOM 402 NZ LYS A 471 -5.008 8.305 8.326 1.00 0.00 N ATOM 0 H LYS A 471 -7.380 10.329 1.806 1.00 0.00 H new ATOM 0 HA LYS A 471 -7.156 10.133 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.660 7.616 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.010 7.502 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -6.858 8.465 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -6.197 6.886 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.136 8.162 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -4.792 9.567 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -3.989 6.922 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -3.179 8.465 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -4.487 8.083 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -5.258 9.314 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -5.876 7.733 8.285 1.00 0.00 H new ATOM 416 N TYR A 472 -4.701 9.158 2.437 1.00 0.00 N ATOM 417 CA TYR A 472 -3.359 9.459 1.965 1.00 0.00 C ATOM 418 C TYR A 472 -3.405 10.304 0.703 1.00 0.00 C ATOM 419 O TYR A 472 -4.167 10.006 -0.222 1.00 0.00 O ATOM 420 CB TYR A 472 -2.591 8.160 1.709 1.00 0.00 C ATOM 421 CG TYR A 472 -2.159 7.466 2.980 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.032 7.901 3.667 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.869 6.382 3.500 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.626 7.290 4.835 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.462 5.767 4.672 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.338 6.224 5.331 1.00 0.00 C ATOM 427 OH TYR A 472 -0.928 5.619 6.498 1.00 0.00 O ATOM 0 H TYR A 472 -5.061 8.256 2.125 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.842 10.031 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.217 7.483 1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.711 8.379 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.463 8.733 3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.745 6.019 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.248 7.648 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.022 4.933 5.069 1.00 0.00 H new ATOM 0 HH TYR A 472 -1.649 5.053 6.844 1.00 0.00 H new ATOM 437 N PRO A 473 -2.609 11.384 0.671 1.00 0.00 N ATOM 438 CA PRO A 473 -2.497 12.261 -0.493 1.00 0.00 C ATOM 439 C PRO A 473 -1.576 11.668 -1.561 1.00 0.00 C ATOM 440 O PRO A 473 -1.255 10.483 -1.527 1.00 0.00 O ATOM 441 CB PRO A 473 -1.892 13.536 0.097 1.00 0.00 C ATOM 442 CG PRO A 473 -1.059 13.059 1.240 1.00 0.00 C ATOM 443 CD PRO A 473 -1.753 11.837 1.788 1.00 0.00 C ATOM 0 HA PRO A 473 -3.451 12.421 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.289 14.067 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.667 14.226 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.048 12.817 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -0.969 13.831 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.037 11.068 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.343 12.076 2.673 1.00 0.00 H new ATOM 451 N ASN A 474 -1.147 12.486 -2.509 1.00 0.00 N ATOM 452 CA ASN A 474 -0.266 12.009 -3.564 1.00 0.00 C ATOM 453 C ASN A 474 1.188 12.108 -3.120 1.00 0.00 C ATOM 454 O ASN A 474 1.796 13.175 -3.179 1.00 0.00 O ATOM 455 CB ASN A 474 -0.462 12.805 -4.861 1.00 0.00 C ATOM 456 CG ASN A 474 -1.867 12.711 -5.433 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.551 11.599 -5.193 1.00 0.00 O flip ATOM 458 ND2 ASN A 474 -2.343 13.641 -6.088 1.00 0.00 N flip ATOM 0 H ASN A 474 -1.391 13.474 -2.570 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.519 10.967 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -0.226 13.852 -4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 474 0.248 12.447 -5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -1.791 14.482 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.289 13.569 -6.463 1.00 0.00 H new ATOM 465 N LEU A 475 1.729 11.003 -2.649 1.00 0.00 N ATOM 466 CA LEU A 475 3.129 10.943 -2.268 1.00 0.00 C ATOM 467 C LEU A 475 3.911 10.220 -3.351 1.00 0.00 C ATOM 468 O LEU A 475 4.120 9.008 -3.274 1.00 0.00 O ATOM 469 CB LEU A 475 3.321 10.240 -0.915 1.00 0.00 C ATOM 470 CG LEU A 475 2.576 10.861 0.267 1.00 0.00 C ATOM 471 CD1 LEU A 475 1.241 10.174 0.454 1.00 0.00 C ATOM 472 CD2 LEU A 475 3.414 10.773 1.531 1.00 0.00 C ATOM 0 H LEU A 475 1.219 10.129 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 475 3.500 11.962 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.002 9.203 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.386 10.225 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 475 2.396 11.915 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 475 0.716 10.622 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 475 0.642 10.291 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 475 1.402 9.114 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 475 2.868 11.220 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.625 9.727 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 475 4.352 11.308 1.384 1.00 0.00 H new ATOM 484 N LYS A 476 4.296 10.956 -4.390 1.00 0.00 N ATOM 485 CA LYS A 476 5.061 10.370 -5.480 1.00 0.00 C ATOM 486 C LYS A 476 6.488 10.092 -5.021 1.00 0.00 C ATOM 487 O LYS A 476 7.409 10.865 -5.287 1.00 0.00 O ATOM 488 CB LYS A 476 5.078 11.285 -6.713 1.00 0.00 C ATOM 489 CG LYS A 476 5.701 10.620 -7.933 1.00 0.00 C ATOM 490 CD LYS A 476 5.989 11.613 -9.053 1.00 0.00 C ATOM 491 CE LYS A 476 4.724 12.279 -9.569 1.00 0.00 C ATOM 492 NZ LYS A 476 5.012 13.186 -10.712 1.00 0.00 N ATOM 0 H LYS A 476 4.092 11.950 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 476 4.578 9.435 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.058 11.586 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 476 5.632 12.194 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 476 6.628 10.127 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 476 5.030 9.844 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 476 6.678 12.376 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 476 6.487 11.098 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 476 4.011 11.516 -9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 476 4.255 12.845 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 4.127 13.624 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.674 13.928 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 5.437 12.641 -11.489 1.00 0.00 H new ATOM 506 N LYS A 477 6.648 9.010 -4.284 1.00 0.00 N ATOM 507 CA LYS A 477 7.949 8.580 -3.804 1.00 0.00 C ATOM 508 C LYS A 477 7.993 7.058 -3.671 1.00 0.00 C ATOM 509 O LYS A 477 6.972 6.425 -3.512 1.00 0.00 O ATOM 510 CB LYS A 477 8.232 9.178 -2.418 1.00 0.00 C ATOM 511 CG LYS A 477 9.090 10.433 -2.478 1.00 0.00 C ATOM 512 CD LYS A 477 8.814 11.393 -1.333 1.00 0.00 C ATOM 513 CE LYS A 477 7.489 12.115 -1.517 1.00 0.00 C ATOM 514 NZ LYS A 477 7.401 13.333 -0.666 1.00 0.00 N ATOM 0 H LYS A 477 5.879 8.403 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 477 8.695 8.919 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 477 7.286 9.414 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 477 8.732 8.431 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 477 10.142 10.149 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 477 8.912 10.944 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 477 8.802 10.844 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 477 9.621 12.123 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 477 7.369 12.394 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 477 6.670 11.440 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.483 13.798 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.490 13.064 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 8.168 13.989 -0.918 1.00 0.00 H new ATOM 528 N PRO A 478 9.165 6.473 -4.099 1.00 0.00 N ATOM 529 CA PRO A 478 9.356 5.023 -4.229 1.00 0.00 C ATOM 530 C PRO A 478 8.529 4.187 -3.254 1.00 0.00 C ATOM 531 O PRO A 478 8.852 4.079 -2.066 1.00 0.00 O ATOM 532 CB PRO A 478 10.844 4.869 -3.947 1.00 0.00 C ATOM 533 CG PRO A 478 11.456 6.110 -4.501 1.00 0.00 C ATOM 534 CD PRO A 478 10.421 7.201 -4.376 1.00 0.00 C ATOM 0 HA PRO A 478 9.029 4.661 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 478 11.038 4.773 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.249 3.978 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 478 12.361 6.372 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.743 5.967 -5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 478 10.667 7.894 -3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.348 7.789 -5.291 1.00 0.00 H new ATOM 542 N THR A 479 7.450 3.611 -3.763 1.00 0.00 N ATOM 543 CA THR A 479 6.588 2.763 -2.966 1.00 0.00 C ATOM 544 C THR A 479 7.126 1.340 -2.946 1.00 0.00 C ATOM 545 O THR A 479 7.552 0.808 -3.970 1.00 0.00 O ATOM 546 CB THR A 479 5.145 2.773 -3.506 1.00 0.00 C ATOM 547 OG1 THR A 479 5.101 3.487 -4.749 1.00 0.00 O ATOM 548 CG2 THR A 479 4.193 3.422 -2.512 1.00 0.00 C ATOM 0 H THR A 479 7.152 3.719 -4.733 1.00 0.00 H new ATOM 0 HA THR A 479 6.574 3.156 -1.949 1.00 0.00 H new ATOM 0 HB THR A 479 4.830 1.741 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.288 4.033 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.182 3.415 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.211 2.866 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.504 4.451 -2.329 1.00 0.00 H new ATOM 556 N VAL A 480 7.123 0.742 -1.771 1.00 0.00 N ATOM 557 CA VAL A 480 7.681 -0.585 -1.588 1.00 0.00 C ATOM 558 C VAL A 480 6.570 -1.631 -1.608 1.00 0.00 C ATOM 559 O VAL A 480 5.473 -1.386 -1.099 1.00 0.00 O ATOM 560 CB VAL A 480 8.472 -0.669 -0.264 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.329 -1.921 -0.217 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.334 0.571 -0.090 1.00 0.00 C ATOM 0 H VAL A 480 6.738 1.157 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 480 8.368 -0.785 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 480 7.757 -0.721 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.874 -1.953 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.692 -2.801 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 480 10.037 -1.908 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.887 0.501 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 480 10.035 0.646 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.698 1.456 -0.071 1.00 0.00 H new ATOM 572 N TRP A 481 6.855 -2.671 -2.203 1.00 0.00 N ATOM 573 CA TRP A 481 5.851 -3.813 -2.382 1.00 0.00 C ATOM 574 C TRP A 481 5.878 -4.823 -1.250 1.00 0.00 C ATOM 575 O TRP A 481 6.818 -5.611 -1.122 1.00 0.00 O ATOM 576 CB TRP A 481 6.052 -4.527 -3.718 1.00 0.00 C ATOM 577 CG TRP A 481 5.849 -3.635 -4.898 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.807 -3.181 -5.757 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.614 -3.065 -5.335 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.238 -2.382 -6.716 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.893 -2.292 -6.478 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.294 -3.140 -4.873 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.903 -1.600 -7.166 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.315 -2.449 -5.555 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.623 -1.691 -6.690 1.00 0.00 C ATOM 0 H TRP A 481 7.769 -2.852 -2.618 1.00 0.00 H new ATOM 0 HA TRP A 481 4.869 -3.341 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.059 -4.942 -3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.360 -5.366 -3.782 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.859 -3.416 -5.692 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.736 -1.929 -7.482 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.048 -3.727 -4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.135 -1.013 -8.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.293 -2.494 -5.207 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.831 -1.165 -7.203 1.00 0.00 H new ATOM 596 N ARG A 482 4.853 -4.784 -0.420 1.00 0.00 N ATOM 597 CA ARG A 482 4.659 -5.796 0.605 1.00 0.00 C ATOM 598 C ARG A 482 3.344 -6.523 0.377 1.00 0.00 C ATOM 599 O ARG A 482 2.273 -5.915 0.412 1.00 0.00 O ATOM 600 CB ARG A 482 4.682 -5.187 2.012 1.00 0.00 C ATOM 601 CG ARG A 482 6.075 -4.822 2.498 1.00 0.00 C ATOM 602 CD ARG A 482 6.946 -6.060 2.634 1.00 0.00 C ATOM 603 NE ARG A 482 8.216 -5.786 3.298 1.00 0.00 N ATOM 604 CZ ARG A 482 8.774 -6.606 4.191 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.209 -7.776 4.470 1.00 0.00 N ATOM 606 NH2 ARG A 482 9.915 -6.265 4.775 1.00 0.00 N ATOM 0 H ARG A 482 4.137 -4.058 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 482 5.484 -6.504 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 482 4.058 -4.293 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.237 -5.894 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.536 -4.123 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.007 -4.313 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.404 -6.820 3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.140 -6.473 1.644 1.00 0.00 H new ATOM 0 HE ARG A 482 8.704 -4.921 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 482 7.346 -8.050 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 482 8.639 -8.400 5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.363 -5.379 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 482 10.345 -6.889 5.458 1.00 0.00 H new ATOM 620 N ARG A 483 3.427 -7.815 0.114 1.00 0.00 N ATOM 621 CA ARG A 483 2.240 -8.634 -0.053 1.00 0.00 C ATOM 622 C ARG A 483 2.079 -9.568 1.136 1.00 0.00 C ATOM 623 O ARG A 483 2.721 -10.622 1.210 1.00 0.00 O ATOM 624 CB ARG A 483 2.311 -9.442 -1.348 1.00 0.00 C ATOM 625 CG ARG A 483 0.979 -10.048 -1.750 1.00 0.00 C ATOM 626 CD ARG A 483 1.103 -10.856 -3.028 1.00 0.00 C ATOM 627 NE ARG A 483 -0.205 -11.255 -3.552 1.00 0.00 N ATOM 628 CZ ARG A 483 -0.670 -12.502 -3.542 1.00 0.00 C ATOM 629 NH1 ARG A 483 0.024 -13.470 -2.964 1.00 0.00 N ATOM 630 NH2 ARG A 483 -1.849 -12.770 -4.080 1.00 0.00 N ATOM 0 H ARG A 483 4.307 -8.321 0.011 1.00 0.00 H new ATOM 0 HA ARG A 483 1.375 -7.973 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 483 2.666 -8.797 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 483 3.045 -10.239 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 483 0.611 -10.687 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 483 0.244 -9.255 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 483 1.631 -10.268 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 483 1.704 -11.745 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 483 -0.799 -10.529 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 483 0.920 -13.262 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -0.337 -14.424 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -2.399 -12.022 -4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -2.207 -13.725 -4.073 1.00 0.00 H new ATOM 644 N GLY A 484 1.238 -9.158 2.071 1.00 0.00 N ATOM 645 CA GLY A 484 0.997 -9.956 3.252 1.00 0.00 C ATOM 646 C GLY A 484 1.900 -9.559 4.405 1.00 0.00 C ATOM 647 O GLY A 484 2.954 -8.954 4.201 1.00 0.00 O ATOM 0 H GLY A 484 0.716 -8.283 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.045 -9.849 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 484 1.154 -11.008 3.016 1.00 0.00 H new ATOM 651 N HIS A 485 1.469 -9.880 5.612 1.00 0.00 N ATOM 652 CA HIS A 485 2.250 -9.626 6.814 1.00 0.00 C ATOM 653 C HIS A 485 2.180 -10.843 7.725 1.00 0.00 C ATOM 654 O HIS A 485 3.248 -11.366 8.116 1.00 0.00 O ATOM 655 CB HIS A 485 1.751 -8.375 7.555 1.00 0.00 C ATOM 656 CG HIS A 485 2.058 -7.082 6.850 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.330 -6.576 6.692 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.225 -6.187 6.257 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.231 -5.416 6.026 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.976 -5.137 5.740 1.00 0.00 N ATOM 661 OXT HIS A 485 1.053 -11.299 8.019 1.00 0.00 O ATOM 0 H HIS A 485 0.568 -10.324 5.789 1.00 0.00 H new ATOM 0 HA HIS A 485 3.284 -9.443 6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.673 -8.454 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.200 -8.351 8.548 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.193 -7.007 7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.150 -6.277 6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.071 -4.792 5.759 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.274 -3.457 4.694 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.451 6.191 2.142 1.00 0.00 ZN