USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 364 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 498 HIS : no HD1:sc= -0.342 X(o=-0.15,f=-0.2) USER MOD Set 1.2: B 931 TYR OH : rot 30:sc= 0.195 USER MOD Set 2.1: A 500 THR OG1 : rot -37:sc= 0.908! USER MOD Set 2.2: A 502 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 485 MET CE :methyl -160:sc= -0.221 (180deg=-0.955) USER MOD Single : A 490 ASN : amide:sc=-0.00426 K(o=-0.0043,f=-2.1!) USER MOD Single : A 499 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.8!) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 THR OG1 : rot 177:sc= 0.0119 USER MOD Single : A 504 THR OG1 : rot -115:sc= 0.14 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -9.095 11.136 -1.304 1.00 15.00 N ATOM 2 CA PHE A 478 -10.118 10.062 -1.328 1.00 15.00 C ATOM 3 C PHE A 478 -10.193 9.376 0.030 1.00 15.00 C ATOM 4 O PHE A 478 -11.167 9.531 0.766 1.00 15.00 O ATOM 5 CB PHE A 478 -9.783 9.026 -2.412 1.00 15.00 C ATOM 6 CG PHE A 478 -10.862 7.997 -2.618 1.00 15.00 C ATOM 7 CD1 PHE A 478 -12.010 8.310 -3.328 1.00 15.00 C ATOM 8 CD2 PHE A 478 -10.728 6.719 -2.098 1.00 15.00 C ATOM 9 CE1 PHE A 478 -13.003 7.368 -3.517 1.00 15.00 C ATOM 10 CE2 PHE A 478 -11.717 5.772 -2.284 1.00 15.00 C ATOM 11 CZ PHE A 478 -12.857 6.097 -2.995 1.00 15.00 C ATOM 0 HA PHE A 478 -11.084 10.513 -1.555 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.602 9.544 -3.354 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -8.856 8.519 -2.144 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -12.130 9.302 -3.738 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -9.840 6.460 -1.541 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -13.893 7.625 -4.072 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -11.599 4.780 -1.875 1.00 15.00 H new ATOM 0 HZ PHE A 478 -13.632 5.359 -3.142 1.00 15.00 H new ATOM 21 N LEU A 479 -9.150 8.638 0.361 1.00 15.00 N ATOM 22 CA LEU A 479 -9.091 7.891 1.603 1.00 15.00 C ATOM 23 C LEU A 479 -8.064 8.540 2.527 1.00 15.00 C ATOM 24 O LEU A 479 -7.237 9.318 2.045 1.00 15.00 O ATOM 25 CB LEU A 479 -8.764 6.410 1.325 1.00 15.00 C ATOM 26 CG LEU A 479 -7.349 6.080 0.820 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.197 4.580 0.678 1.00 15.00 C ATOM 28 CD2 LEU A 479 -7.048 6.740 -0.516 1.00 15.00 C ATOM 0 H LEU A 479 -8.320 8.540 -0.224 1.00 15.00 H new ATOM 0 HA LEU A 479 -10.062 7.914 2.099 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -8.933 5.850 2.245 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -9.479 6.039 0.590 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.642 6.469 1.553 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -6.194 4.348 0.320 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.356 4.105 1.646 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.932 4.206 -0.035 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -6.038 6.478 -0.832 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -7.763 6.394 -1.262 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -7.127 7.822 -0.413 1.00 15.00 H new ATOM 40 N PRO A 480 -8.126 8.252 3.852 1.00 15.00 N ATOM 41 CA PRO A 480 -7.275 8.864 4.882 1.00 15.00 C ATOM 42 C PRO A 480 -5.903 9.308 4.383 1.00 15.00 C ATOM 43 O PRO A 480 -5.193 8.546 3.723 1.00 15.00 O ATOM 44 CB PRO A 480 -7.150 7.723 5.879 1.00 15.00 C ATOM 45 CG PRO A 480 -8.502 7.103 5.876 1.00 15.00 C ATOM 46 CD PRO A 480 -9.032 7.262 4.469 1.00 15.00 C ATOM 0 HA PRO A 480 -7.699 9.788 5.275 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -6.382 7.010 5.578 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.878 8.085 6.870 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -8.449 6.051 6.156 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -9.157 7.592 6.597 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -9.016 6.316 3.928 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -10.064 7.612 4.469 1.00 15.00 H new ATOM 54 N PRO A 481 -5.525 10.558 4.702 1.00 15.00 N ATOM 55 CA PRO A 481 -4.277 11.163 4.233 1.00 15.00 C ATOM 56 C PRO A 481 -3.070 10.253 4.418 1.00 15.00 C ATOM 57 O PRO A 481 -2.705 9.894 5.541 1.00 15.00 O ATOM 58 CB PRO A 481 -4.140 12.415 5.098 1.00 15.00 C ATOM 59 CG PRO A 481 -5.539 12.779 5.452 1.00 15.00 C ATOM 60 CD PRO A 481 -6.293 11.481 5.558 1.00 15.00 C ATOM 0 HA PRO A 481 -4.309 11.366 3.163 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.544 12.218 5.989 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -3.646 13.220 4.555 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.573 13.327 6.393 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -5.978 13.424 4.691 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.338 11.127 6.588 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.321 11.586 5.212 1.00 15.00 H new ATOM 68 N GLY A 482 -2.480 9.854 3.306 1.00 15.00 N ATOM 69 CA GLY A 482 -1.297 9.029 3.344 1.00 15.00 C ATOM 70 C GLY A 482 -1.551 7.609 2.915 1.00 15.00 C ATOM 71 O GLY A 482 -0.611 6.838 2.770 1.00 15.00 O ATOM 0 H GLY A 482 -2.804 10.090 2.368 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.536 9.466 2.698 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.894 9.029 4.357 1.00 15.00 H new ATOM 75 N TRP A 483 -2.804 7.259 2.700 1.00 15.00 N ATOM 76 CA TRP A 483 -3.131 5.918 2.256 1.00 15.00 C ATOM 77 C TRP A 483 -3.130 5.861 0.751 1.00 15.00 C ATOM 78 O TRP A 483 -4.019 6.391 0.089 1.00 15.00 O ATOM 79 CB TRP A 483 -4.476 5.464 2.809 1.00 15.00 C ATOM 80 CG TRP A 483 -4.414 5.148 4.261 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.485 6.034 5.294 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.237 3.854 4.841 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.383 5.365 6.491 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.226 4.026 6.238 1.00 15.00 C ATOM 85 CE3 TRP A 483 -4.092 2.560 4.314 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -4.072 2.957 7.114 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.938 1.506 5.189 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.928 1.711 6.575 1.00 15.00 C ATOM 0 H TRP A 483 -3.606 7.878 2.824 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.371 5.236 2.638 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -5.217 6.245 2.641 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.812 4.583 2.262 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.604 7.102 5.188 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.418 5.794 7.416 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -4.101 2.395 3.247 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -4.067 3.107 8.183 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.823 0.505 4.800 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.803 0.863 7.232 1.00 15.00 H new ATOM 99 N GLU A 484 -2.098 5.249 0.221 1.00 15.00 N ATOM 100 CA GLU A 484 -1.902 5.193 -1.203 1.00 15.00 C ATOM 101 C GLU A 484 -2.336 3.847 -1.760 1.00 15.00 C ATOM 102 O GLU A 484 -1.955 2.794 -1.250 1.00 15.00 O ATOM 103 CB GLU A 484 -0.440 5.455 -1.523 1.00 15.00 C ATOM 104 CG GLU A 484 -0.221 6.703 -2.353 1.00 15.00 C ATOM 105 CD GLU A 484 -0.848 7.927 -1.723 1.00 15.00 C ATOM 106 OE1 GLU A 484 -0.253 8.482 -0.777 1.00 15.00 O1- ATOM 107 OE2 GLU A 484 -1.941 8.337 -2.173 1.00 15.00 O ATOM 0 H GLU A 484 -1.375 4.778 0.765 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.517 5.960 -1.673 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.118 5.545 -0.591 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.033 4.596 -2.057 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.849 6.870 -2.480 1.00 15.00 H new ATOM 0 HG3 GLU A 484 -0.640 6.554 -3.348 1.00 15.00 H new ATOM 114 N MET A 485 -3.103 3.905 -2.828 1.00 15.00 N ATOM 115 CA MET A 485 -3.626 2.712 -3.484 1.00 15.00 C ATOM 116 C MET A 485 -2.885 2.492 -4.780 1.00 15.00 C ATOM 117 O MET A 485 -3.076 3.227 -5.751 1.00 15.00 O ATOM 118 CB MET A 485 -5.121 2.842 -3.783 1.00 15.00 C ATOM 119 CG MET A 485 -5.987 2.836 -2.555 1.00 15.00 C ATOM 120 SD MET A 485 -7.747 2.970 -2.936 1.00 15.00 S ATOM 121 CE MET A 485 -7.783 4.515 -3.843 1.00 15.00 C ATOM 0 H MET A 485 -3.385 4.779 -3.271 1.00 15.00 H new ATOM 0 HA MET A 485 -3.484 1.867 -2.810 1.00 15.00 H new ATOM 0 HB2 MET A 485 -5.293 3.767 -4.333 1.00 15.00 H new ATOM 0 HB3 MET A 485 -5.425 2.023 -4.434 1.00 15.00 H new ATOM 0 HG2 MET A 485 -5.810 1.917 -1.996 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.696 3.663 -1.908 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.797 4.915 -3.840 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.109 5.230 -3.371 1.00 15.00 H new ATOM 0 HE3 MET A 485 -7.465 4.341 -4.871 1.00 15.00 H new ATOM 131 N ARG A 486 -2.020 1.503 -4.788 1.00 15.00 N ATOM 132 CA ARG A 486 -1.138 1.277 -5.922 1.00 15.00 C ATOM 133 C ARG A 486 -0.853 -0.200 -6.099 1.00 15.00 C ATOM 134 O ARG A 486 -0.850 -0.961 -5.138 1.00 15.00 O ATOM 135 CB ARG A 486 0.172 2.049 -5.743 1.00 15.00 C ATOM 136 CG ARG A 486 -0.014 3.555 -5.774 1.00 15.00 C ATOM 137 CD ARG A 486 0.838 4.203 -6.847 1.00 15.00 C ATOM 138 NE ARG A 486 0.567 3.675 -8.181 1.00 15.00 N ATOM 139 CZ ARG A 486 1.526 3.312 -9.030 1.00 15.00 C ATOM 140 NH1 ARG A 486 2.788 3.305 -8.633 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 1.230 2.941 -10.263 1.00 15.00 N ATOM 0 H ARG A 486 -1.905 0.839 -4.023 1.00 15.00 H new ATOM 0 HA ARG A 486 -1.641 1.640 -6.819 1.00 15.00 H new ATOM 0 HB2 ARG A 486 0.627 1.765 -4.794 1.00 15.00 H new ATOM 0 HB3 ARG A 486 0.868 1.759 -6.530 1.00 15.00 H new ATOM 0 HG2 ARG A 486 -1.064 3.788 -5.952 1.00 15.00 H new ATOM 0 HG3 ARG A 486 0.245 3.974 -4.802 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.661 5.279 -6.844 1.00 15.00 H new ATOM 0 HD3 ARG A 486 1.891 4.052 -6.609 1.00 15.00 H new ATOM 0 HE ARG A 486 -0.404 3.580 -8.477 1.00 15.00 H new ATOM 0 HH11 ARG A 486 3.024 3.577 -7.679 1.00 15.00 H new ATOM 0 HH12 ARG A 486 3.525 3.027 -9.281 1.00 15.00 H new ATOM 0 HH21 ARG A 486 0.258 2.931 -10.573 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.973 2.665 -10.905 1.00 15.00 H new ATOM 155 N ILE A 487 -0.619 -0.601 -7.330 1.00 15.00 N ATOM 156 CA ILE A 487 -0.320 -1.992 -7.625 1.00 15.00 C ATOM 157 C ILE A 487 1.169 -2.179 -7.877 1.00 15.00 C ATOM 158 O ILE A 487 1.846 -1.260 -8.339 1.00 15.00 O ATOM 159 CB ILE A 487 -1.108 -2.501 -8.855 1.00 15.00 C ATOM 160 CG1 ILE A 487 -0.781 -1.658 -10.095 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.603 -2.482 -8.569 1.00 15.00 C ATOM 162 CD1 ILE A 487 -1.447 -2.152 -11.362 1.00 15.00 C ATOM 0 H ILE A 487 -0.629 0.013 -8.144 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.623 -2.573 -6.754 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.808 -3.529 -9.057 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -1.086 -0.627 -9.913 1.00 15.00 H new ATOM 0 HG13 ILE A 487 0.299 -1.649 -10.243 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.145 -2.843 -9.443 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.819 -3.126 -7.717 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.917 -1.463 -8.342 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -1.169 -1.506 -12.195 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -1.123 -3.172 -11.570 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.529 -2.134 -11.235 1.00 15.00 H new ATOM 174 N ALA A 488 1.683 -3.359 -7.554 1.00 15.00 N ATOM 175 CA ALA A 488 3.040 -3.703 -7.919 1.00 15.00 C ATOM 176 C ALA A 488 3.004 -4.360 -9.292 1.00 15.00 C ATOM 177 O ALA A 488 2.000 -4.990 -9.633 1.00 15.00 O ATOM 178 CB ALA A 488 3.670 -4.631 -6.890 1.00 15.00 C ATOM 0 H ALA A 488 1.180 -4.085 -7.044 1.00 15.00 H new ATOM 0 HA ALA A 488 3.654 -2.803 -7.949 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.689 -4.871 -7.192 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.687 -4.138 -5.918 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.086 -5.549 -6.822 1.00 15.00 H new ATOM 184 N PRO A 489 4.073 -4.225 -10.097 1.00 15.00 N ATOM 185 CA PRO A 489 4.112 -4.759 -11.474 1.00 15.00 C ATOM 186 C PRO A 489 3.815 -6.259 -11.555 1.00 15.00 C ATOM 187 O PRO A 489 3.576 -6.797 -12.635 1.00 15.00 O ATOM 188 CB PRO A 489 5.544 -4.472 -11.930 1.00 15.00 C ATOM 189 CG PRO A 489 5.997 -3.337 -11.078 1.00 15.00 C ATOM 190 CD PRO A 489 5.322 -3.525 -9.747 1.00 15.00 C ATOM 0 HA PRO A 489 3.345 -4.298 -12.097 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.183 -5.345 -11.798 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.577 -4.210 -12.988 1.00 15.00 H new ATOM 0 HG2 PRO A 489 7.082 -3.339 -10.970 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.723 -2.381 -11.523 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.935 -4.113 -9.064 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.125 -2.571 -9.257 1.00 15.00 H new ATOM 198 N ASN A 490 3.837 -6.926 -10.407 1.00 15.00 N ATOM 199 CA ASN A 490 3.527 -8.349 -10.324 1.00 15.00 C ATOM 200 C ASN A 490 2.015 -8.584 -10.426 1.00 15.00 C ATOM 201 O ASN A 490 1.555 -9.713 -10.584 1.00 15.00 O ATOM 202 CB ASN A 490 4.085 -8.923 -9.012 1.00 15.00 C ATOM 203 CG ASN A 490 3.805 -10.404 -8.832 1.00 15.00 C ATOM 204 OD1 ASN A 490 2.822 -10.788 -8.194 1.00 15.00 O ATOM 205 ND2 ASN A 490 4.670 -11.242 -9.380 1.00 15.00 N ATOM 0 H ASN A 490 4.069 -6.498 -9.511 1.00 15.00 H new ATOM 0 HA ASN A 490 3.998 -8.864 -11.162 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.162 -8.759 -8.982 1.00 15.00 H new ATOM 0 HB3 ASN A 490 3.655 -8.375 -8.173 1.00 15.00 H new ATOM 0 HD21 ASN A 490 4.537 -12.249 -9.283 1.00 15.00 H new ATOM 0 HD22 ASN A 490 5.470 -10.881 -9.900 1.00 15.00 H new ATOM 212 N GLY A 491 1.245 -7.504 -10.340 1.00 15.00 N ATOM 213 CA GLY A 491 -0.199 -7.617 -10.435 1.00 15.00 C ATOM 214 C GLY A 491 -0.859 -7.677 -9.073 1.00 15.00 C ATOM 215 O GLY A 491 -1.857 -8.373 -8.886 1.00 15.00 O ATOM 0 H GLY A 491 1.594 -6.555 -10.207 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.593 -6.766 -10.990 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -0.455 -8.513 -11.001 1.00 15.00 H new ATOM 219 N ARG A 492 -0.302 -6.940 -8.123 1.00 15.00 N ATOM 220 CA ARG A 492 -0.777 -6.965 -6.745 1.00 15.00 C ATOM 221 C ARG A 492 -1.110 -5.558 -6.250 1.00 15.00 C ATOM 222 O ARG A 492 -0.252 -4.679 -6.267 1.00 15.00 O ATOM 223 CB ARG A 492 0.288 -7.581 -5.838 1.00 15.00 C ATOM 224 CG ARG A 492 1.683 -7.030 -6.088 1.00 15.00 C ATOM 225 CD ARG A 492 2.739 -7.731 -5.251 1.00 15.00 C ATOM 226 NE ARG A 492 2.827 -9.146 -5.567 1.00 15.00 N ATOM 227 CZ ARG A 492 3.460 -10.044 -4.804 1.00 15.00 C ATOM 228 NH1 ARG A 492 4.083 -9.658 -3.696 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 3.480 -11.324 -5.153 1.00 15.00 N ATOM 0 H ARG A 492 0.486 -6.312 -8.282 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.684 -7.568 -6.713 1.00 15.00 H new ATOM 0 HB2 ARG A 492 0.016 -7.404 -4.798 1.00 15.00 H new ATOM 0 HB3 ARG A 492 0.300 -8.661 -5.985 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.930 -7.138 -7.144 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.695 -5.963 -5.865 1.00 15.00 H new ATOM 0 HD2 ARG A 492 3.708 -7.260 -5.419 1.00 15.00 H new ATOM 0 HD3 ARG A 492 2.505 -7.609 -4.194 1.00 15.00 H new ATOM 0 HE ARG A 492 2.379 -9.475 -6.422 1.00 15.00 H new ATOM 0 HH11 ARG A 492 4.079 -8.675 -3.425 1.00 15.00 H new ATOM 0 HH12 ARG A 492 4.565 -10.345 -3.116 1.00 15.00 H new ATOM 0 HH21 ARG A 492 3.011 -11.627 -6.007 1.00 15.00 H new ATOM 0 HH22 ARG A 492 3.964 -12.005 -4.568 1.00 15.00 H new ATOM 243 N PRO A 493 -2.350 -5.325 -5.796 1.00 15.00 N ATOM 244 CA PRO A 493 -2.770 -4.032 -5.262 1.00 15.00 C ATOM 245 C PRO A 493 -2.543 -3.909 -3.751 1.00 15.00 C ATOM 246 O PRO A 493 -3.014 -4.742 -2.971 1.00 15.00 O ATOM 247 CB PRO A 493 -4.265 -4.016 -5.580 1.00 15.00 C ATOM 248 CG PRO A 493 -4.688 -5.452 -5.558 1.00 15.00 C ATOM 249 CD PRO A 493 -3.456 -6.297 -5.793 1.00 15.00 C ATOM 0 HA PRO A 493 -2.205 -3.204 -5.691 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.818 -3.432 -4.844 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.455 -3.565 -6.554 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.146 -5.701 -4.601 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.435 -5.643 -6.328 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.329 -7.043 -5.009 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.516 -6.835 -6.739 1.00 15.00 H new ATOM 257 N PHE A 494 -1.823 -2.869 -3.342 1.00 15.00 N ATOM 258 CA PHE A 494 -1.527 -2.657 -1.930 1.00 15.00 C ATOM 259 C PHE A 494 -1.840 -1.226 -1.479 1.00 15.00 C ATOM 260 O PHE A 494 -1.700 -0.268 -2.246 1.00 15.00 O ATOM 261 CB PHE A 494 -0.060 -3.024 -1.612 1.00 15.00 C ATOM 262 CG PHE A 494 1.016 -2.402 -2.491 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.012 -1.052 -2.819 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.056 -3.187 -2.967 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.016 -0.504 -3.606 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.060 -2.644 -3.746 1.00 15.00 C ATOM 267 CZ PHE A 494 3.039 -1.304 -4.068 1.00 15.00 C ATOM 0 H PHE A 494 -1.435 -2.162 -3.966 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.181 -3.321 -1.365 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.143 -2.743 -0.579 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.038 -4.108 -1.672 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.216 -0.419 -2.456 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.081 -4.239 -2.725 1.00 15.00 H new ATOM 0 HE1 PHE A 494 1.995 0.547 -3.856 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.863 -3.271 -4.103 1.00 15.00 H new ATOM 0 HZ PHE A 494 3.822 -0.882 -4.681 1.00 15.00 H new ATOM 277 N PHE A 495 -2.295 -1.098 -0.237 1.00 15.00 N ATOM 278 CA PHE A 495 -2.432 0.197 0.410 1.00 15.00 C ATOM 279 C PHE A 495 -1.174 0.512 1.195 1.00 15.00 C ATOM 280 O PHE A 495 -0.846 -0.178 2.165 1.00 15.00 O ATOM 281 CB PHE A 495 -3.634 0.239 1.366 1.00 15.00 C ATOM 282 CG PHE A 495 -4.926 -0.175 0.737 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.597 0.700 -0.088 1.00 15.00 C ATOM 284 CD2 PHE A 495 -5.466 -1.429 0.966 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.790 0.342 -0.684 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.662 -1.799 0.377 1.00 15.00 C ATOM 287 CZ PHE A 495 -7.326 -0.911 -0.451 1.00 15.00 C ATOM 0 H PHE A 495 -2.577 -1.887 0.345 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.592 0.937 -0.374 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.431 -0.411 2.217 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.740 1.251 1.756 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -5.184 1.681 -0.272 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.949 -2.125 1.610 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -7.303 1.039 -1.330 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -7.077 -2.779 0.563 1.00 15.00 H new ATOM 0 HZ PHE A 495 -8.260 -1.196 -0.914 1.00 15.00 H new ATOM 297 N ILE A 496 -0.456 1.526 0.762 1.00 15.00 N ATOM 298 CA ILE A 496 0.698 1.995 1.495 1.00 15.00 C ATOM 299 C ILE A 496 0.319 3.233 2.275 1.00 15.00 C ATOM 300 O ILE A 496 0.091 4.287 1.685 1.00 15.00 O ATOM 301 CB ILE A 496 1.886 2.348 0.574 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.224 1.175 -0.346 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.097 2.738 1.413 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.456 1.399 -1.192 1.00 15.00 C ATOM 0 H ILE A 496 -0.652 2.042 -0.096 1.00 15.00 H new ATOM 0 HA ILE A 496 1.011 1.185 2.153 1.00 15.00 H new ATOM 0 HB ILE A 496 1.604 3.196 -0.050 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.368 0.280 0.260 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.375 0.983 -1.001 1.00 15.00 H new ATOM 0 HG21 ILE A 496 3.931 2.985 0.756 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.850 3.604 2.028 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.378 1.904 2.057 1.00 15.00 H new ATOM 0 HD11 ILE A 496 3.632 0.524 -1.818 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.309 2.274 -1.825 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.318 1.561 -0.544 1.00 15.00 H new ATOM 316 N ASP A 497 0.229 3.118 3.586 1.00 15.00 N ATOM 317 CA ASP A 497 -0.054 4.282 4.393 1.00 15.00 C ATOM 318 C ASP A 497 1.254 4.936 4.769 1.00 15.00 C ATOM 319 O ASP A 497 2.137 4.330 5.376 1.00 15.00 O ATOM 320 CB ASP A 497 -0.905 3.967 5.622 1.00 15.00 C ATOM 321 CG ASP A 497 -0.118 3.435 6.796 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.106 2.215 6.859 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 0.270 4.245 7.667 1.00 15.00 O ATOM 0 H ASP A 497 0.346 2.247 4.104 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.656 4.973 3.803 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.429 4.872 5.930 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.665 3.236 5.347 1.00 15.00 H new ATOM 328 N HIS A 498 1.384 6.165 4.357 1.00 15.00 N ATOM 329 CA HIS A 498 2.637 6.874 4.447 1.00 15.00 C ATOM 330 C HIS A 498 2.894 7.430 5.839 1.00 15.00 C ATOM 331 O HIS A 498 3.994 7.904 6.122 1.00 15.00 O ATOM 332 CB HIS A 498 2.696 7.962 3.374 1.00 15.00 C ATOM 333 CG HIS A 498 2.979 7.388 2.017 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.260 7.189 1.562 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.154 6.902 1.046 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.227 6.602 0.384 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.961 6.420 0.042 1.00 15.00 N ATOM 0 H HIS A 498 0.624 6.709 3.947 1.00 15.00 H new ATOM 0 HA HIS A 498 3.441 6.162 4.263 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.749 8.502 3.351 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.469 8.686 3.632 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.074 6.897 1.062 1.00 15.00 H new ATOM 0 HE1 HIS A 498 5.087 6.317 -0.204 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.637 5.992 -0.825 1.00 15.00 H new ATOM 346 N ASN A 499 1.892 7.375 6.711 1.00 15.00 N ATOM 347 CA ASN A 499 2.066 7.894 8.058 1.00 15.00 C ATOM 348 C ASN A 499 2.806 6.892 8.943 1.00 15.00 C ATOM 349 O ASN A 499 3.772 7.261 9.611 1.00 15.00 O ATOM 350 CB ASN A 499 0.719 8.308 8.684 1.00 15.00 C ATOM 351 CG ASN A 499 -0.311 7.192 8.710 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.391 6.424 9.670 1.00 15.00 O ATOM 353 ND2 ASN A 499 -1.125 7.108 7.666 1.00 15.00 N ATOM 0 H ASN A 499 0.971 6.985 6.513 1.00 15.00 H new ATOM 0 HA ASN A 499 2.680 8.792 7.987 1.00 15.00 H new ATOM 0 HB2 ASN A 499 0.893 8.654 9.703 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.313 9.152 8.126 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.848 6.389 7.640 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -1.028 7.762 6.890 1.00 15.00 H new ATOM 360 N THR A 500 2.366 5.632 8.975 1.00 15.00 N ATOM 361 CA THR A 500 3.145 4.591 9.637 1.00 15.00 C ATOM 362 C THR A 500 4.265 4.099 8.724 1.00 15.00 C ATOM 363 O THR A 500 5.284 3.596 9.200 1.00 15.00 O ATOM 364 CB THR A 500 2.292 3.395 10.114 1.00 15.00 C ATOM 365 OG1 THR A 500 1.795 2.652 9.002 1.00 15.00 O ATOM 366 CG2 THR A 500 1.132 3.863 10.977 1.00 15.00 C ATOM 0 H THR A 500 1.491 5.315 8.558 1.00 15.00 H new ATOM 0 HA THR A 500 3.568 5.051 10.530 1.00 15.00 H new ATOM 0 HB THR A 500 2.935 2.749 10.712 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.557 3.267 8.278 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.548 3.001 11.299 1.00 15.00 H new ATOM 0 HG22 THR A 500 1.517 4.388 11.851 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.498 4.536 10.400 1.00 15.00 H new ATOM 374 N LYS A 501 4.038 4.248 7.407 1.00 15.00 N ATOM 375 CA LYS A 501 4.966 3.802 6.361 1.00 15.00 C ATOM 376 C LYS A 501 4.830 2.290 6.149 1.00 15.00 C ATOM 377 O LYS A 501 5.771 1.607 5.743 1.00 15.00 O ATOM 378 CB LYS A 501 6.408 4.197 6.708 1.00 15.00 C ATOM 379 CG LYS A 501 7.388 4.061 5.554 1.00 15.00 C ATOM 380 CD LYS A 501 8.777 4.518 5.956 1.00 15.00 C ATOM 381 CE LYS A 501 9.328 3.686 7.103 1.00 15.00 C ATOM 382 NZ LYS A 501 10.594 4.253 7.632 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.194 4.687 7.038 1.00 15.00 H new ATOM 0 HA LYS A 501 4.711 4.299 5.425 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.416 5.230 7.056 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.752 3.579 7.537 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.425 3.022 5.226 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.040 4.651 4.706 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.447 4.447 5.099 1.00 15.00 H new ATOM 0 HD3 LYS A 501 8.745 5.567 6.249 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.590 3.635 7.903 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.500 2.665 6.762 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.941 3.660 8.413 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.306 4.279 6.874 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.423 5.218 7.980 1.00 15.00 H new ATOM 396 N THR A 502 3.623 1.790 6.361 1.00 15.00 N ATOM 397 CA THR A 502 3.345 0.369 6.229 1.00 15.00 C ATOM 398 C THR A 502 2.603 0.074 4.920 1.00 15.00 C ATOM 399 O THR A 502 1.876 0.919 4.400 1.00 15.00 O ATOM 400 CB THR A 502 2.503 -0.142 7.419 1.00 15.00 C ATOM 401 OG1 THR A 502 3.045 0.359 8.649 1.00 15.00 O ATOM 402 CG2 THR A 502 2.483 -1.664 7.464 1.00 15.00 C ATOM 0 H THR A 502 2.815 2.352 6.627 1.00 15.00 H new ATOM 0 HA THR A 502 4.303 -0.150 6.220 1.00 15.00 H new ATOM 0 HB THR A 502 1.482 0.216 7.288 1.00 15.00 H new ATOM 0 HG1 THR A 502 2.730 1.275 8.796 1.00 15.00 H new ATOM 0 HG21 THR A 502 1.883 -1.995 8.312 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.051 -2.050 6.541 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.501 -2.038 7.572 1.00 15.00 H new ATOM 410 N THR A 503 2.820 -1.117 4.378 1.00 15.00 N ATOM 411 CA THR A 503 2.112 -1.562 3.189 1.00 15.00 C ATOM 412 C THR A 503 1.254 -2.780 3.527 1.00 15.00 C ATOM 413 O THR A 503 1.780 -3.844 3.850 1.00 15.00 O ATOM 414 CB THR A 503 3.104 -1.922 2.067 1.00 15.00 C ATOM 415 OG1 THR A 503 4.119 -0.914 1.988 1.00 15.00 O ATOM 416 CG2 THR A 503 2.402 -2.032 0.728 1.00 15.00 C ATOM 0 H THR A 503 3.486 -1.795 4.748 1.00 15.00 H new ATOM 0 HA THR A 503 1.474 -0.750 2.841 1.00 15.00 H new ATOM 0 HB THR A 503 3.550 -2.889 2.302 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.778 -1.166 1.307 1.00 15.00 H new ATOM 0 HG21 THR A 503 3.128 -2.287 -0.044 1.00 15.00 H new ATOM 0 HG22 THR A 503 1.639 -2.809 0.780 1.00 15.00 H new ATOM 0 HG23 THR A 503 1.933 -1.079 0.484 1.00 15.00 H new ATOM 424 N THR A 504 -0.061 -2.617 3.482 1.00 15.00 N ATOM 425 CA THR A 504 -0.966 -3.692 3.866 1.00 15.00 C ATOM 426 C THR A 504 -1.764 -4.203 2.665 1.00 15.00 C ATOM 427 O THR A 504 -2.035 -3.460 1.716 1.00 15.00 O ATOM 428 CB THR A 504 -1.928 -3.250 4.995 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.774 -4.344 5.378 1.00 15.00 O ATOM 430 CG2 THR A 504 -2.783 -2.066 4.564 1.00 15.00 C ATOM 0 H THR A 504 -0.523 -1.757 3.186 1.00 15.00 H new ATOM 0 HA THR A 504 -0.349 -4.507 4.243 1.00 15.00 H new ATOM 0 HB THR A 504 -1.323 -2.941 5.847 1.00 15.00 H new ATOM 0 HG1 THR A 504 -3.705 -4.129 5.162 1.00 15.00 H new ATOM 0 HG21 THR A 504 -3.447 -1.781 5.380 1.00 15.00 H new ATOM 0 HG22 THR A 504 -2.138 -1.225 4.310 1.00 15.00 H new ATOM 0 HG23 THR A 504 -3.377 -2.344 3.693 1.00 15.00 H new ATOM 438 N TRP A 505 -2.119 -5.482 2.712 1.00 15.00 N ATOM 439 CA TRP A 505 -2.856 -6.121 1.628 1.00 15.00 C ATOM 440 C TRP A 505 -4.353 -6.101 1.890 1.00 15.00 C ATOM 441 O TRP A 505 -5.160 -6.278 0.973 1.00 15.00 O ATOM 442 CB TRP A 505 -2.416 -7.571 1.468 1.00 15.00 C ATOM 443 CG TRP A 505 -1.021 -7.738 0.963 1.00 15.00 C ATOM 444 CD1 TRP A 505 0.052 -8.218 1.652 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.557 -7.437 -0.352 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.155 -8.249 0.834 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.807 -7.771 -0.398 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.164 -6.922 -1.495 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.574 -7.609 -1.546 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.407 -6.761 -2.633 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.951 -7.106 -2.652 1.00 15.00 C ATOM 0 H TRP A 505 -1.907 -6.100 3.495 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.642 -5.560 0.718 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.504 -8.073 2.431 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.100 -8.073 0.784 1.00 15.00 H new ATOM 0 HD1 TRP A 505 0.037 -8.528 2.687 1.00 15.00 H new ATOM 0 HE1 TRP A 505 2.083 -8.576 1.103 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.210 -6.654 -1.488 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.622 -7.871 -1.562 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.867 -6.363 -3.525 1.00 15.00 H new ATOM 0 HH2 TRP A 505 1.517 -6.971 -3.562 1.00 15.00 H new ATOM 462 N GLU A 506 -4.717 -5.915 3.146 1.00 15.00 N ATOM 463 CA GLU A 506 -6.106 -6.011 3.556 1.00 15.00 C ATOM 464 C GLU A 506 -6.579 -4.693 4.104 1.00 15.00 C ATOM 465 O GLU A 506 -5.888 -4.055 4.898 1.00 15.00 O ATOM 466 CB GLU A 506 -6.272 -7.131 4.585 1.00 15.00 C ATOM 467 CG GLU A 506 -7.708 -7.355 5.027 1.00 15.00 C ATOM 468 CD GLU A 506 -7.856 -8.583 5.897 1.00 15.00 C ATOM 469 OE1 GLU A 506 -7.661 -8.478 7.124 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -8.155 -9.668 5.353 1.00 15.00 O ATOM 0 H GLU A 506 -4.068 -5.696 3.902 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.720 -6.253 2.688 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -5.883 -8.058 4.164 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -5.665 -6.899 5.460 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -8.058 -6.480 5.575 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -8.345 -7.456 4.148 1.00 15.00 H new ATOM 477 N ASP A 507 -7.768 -4.304 3.675 1.00 15.00 N ATOM 478 CA ASP A 507 -8.312 -3.008 4.006 1.00 15.00 C ATOM 479 C ASP A 507 -8.527 -2.876 5.511 1.00 15.00 C ATOM 480 O ASP A 507 -9.373 -3.558 6.093 1.00 15.00 O ATOM 481 CB ASP A 507 -9.620 -2.763 3.254 1.00 15.00 C ATOM 482 CG ASP A 507 -10.203 -1.397 3.535 1.00 15.00 C ATOM 483 OD1 ASP A 507 -9.864 -0.444 2.801 1.00 15.00 O1- ATOM 484 OD2 ASP A 507 -11.005 -1.272 4.485 1.00 15.00 O ATOM 0 H ASP A 507 -8.376 -4.878 3.091 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.591 -2.251 3.698 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -9.444 -2.866 2.183 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -10.345 -3.528 3.533 1.00 15.00 H new ATOM 489 N PRO A 508 -7.729 -2.022 6.157 1.00 15.00 N ATOM 490 CA PRO A 508 -7.729 -1.849 7.599 1.00 15.00 C ATOM 491 C PRO A 508 -8.466 -0.594 8.069 1.00 15.00 C ATOM 492 O PRO A 508 -8.319 -0.181 9.219 1.00 15.00 O ATOM 493 CB PRO A 508 -6.235 -1.707 7.863 1.00 15.00 C ATOM 494 CG PRO A 508 -5.713 -0.960 6.671 1.00 15.00 C ATOM 495 CD PRO A 508 -6.696 -1.180 5.540 1.00 15.00 C ATOM 0 HA PRO A 508 -8.237 -2.659 8.121 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -6.045 -1.162 8.788 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -5.755 -2.681 7.963 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.615 0.102 6.895 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -4.722 -1.320 6.395 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -7.108 -0.239 5.175 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.228 -1.675 4.689 1.00 15.00 H new ATOM 503 N ARG A 509 -9.256 0.014 7.193 1.00 15.00 N ATOM 504 CA ARG A 509 -9.960 1.242 7.548 1.00 15.00 C ATOM 505 C ARG A 509 -11.450 0.972 7.775 1.00 15.00 C ATOM 506 O ARG A 509 -12.284 1.381 6.944 1.00 15.00 O ATOM 507 CB ARG A 509 -9.720 2.329 6.482 1.00 15.00 C ATOM 508 CG ARG A 509 -9.903 1.859 5.045 1.00 15.00 C ATOM 509 CD ARG A 509 -11.246 2.287 4.470 1.00 15.00 C ATOM 510 NE ARG A 509 -11.554 1.586 3.229 1.00 15.00 N ATOM 511 CZ ARG A 509 -12.734 1.635 2.614 1.00 15.00 C ATOM 512 NH1 ARG A 509 -13.734 2.331 3.146 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -12.921 0.967 1.481 1.00 15.00 N ATOM 0 H ARG A 509 -9.425 -0.317 6.243 1.00 15.00 H new ATOM 0 HA ARG A 509 -9.559 1.616 8.490 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -10.401 3.159 6.669 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -8.707 2.716 6.598 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -9.100 2.261 4.427 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -9.822 0.773 5.006 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -12.032 2.094 5.200 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -11.237 3.362 4.287 1.00 15.00 H new ATOM 0 HE ARG A 509 -10.818 1.022 2.805 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -13.598 2.828 4.026 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -14.637 2.368 2.674 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -12.161 0.416 1.082 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -13.825 1.005 1.010 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -1.731 -17.925 -0.120 1.00 15.00 N ATOM 529 CA ARG B 925 -1.596 -16.625 0.570 1.00 15.00 C ATOM 530 C ARG B 925 -0.466 -15.829 -0.075 1.00 15.00 C ATOM 531 O ARG B 925 0.665 -16.308 -0.151 1.00 15.00 O ATOM 532 CB ARG B 925 -1.292 -16.860 2.054 1.00 15.00 C ATOM 533 CG ARG B 925 -1.649 -15.697 2.971 1.00 15.00 C ATOM 534 CD ARG B 925 -3.158 -15.546 3.138 1.00 15.00 C ATOM 535 NE ARG B 925 -3.779 -14.850 2.009 1.00 15.00 N ATOM 536 CZ ARG B 925 -4.783 -15.342 1.282 1.00 15.00 C ATOM 537 NH1 ARG B 925 -5.265 -16.551 1.536 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 -5.312 -14.618 0.304 1.00 15.00 N ATOM 0 HA ARG B 925 -2.527 -16.064 0.484 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -1.834 -17.746 2.386 1.00 15.00 H new ATOM 0 HB3 ARG B 925 -0.229 -17.077 2.163 1.00 15.00 H new ATOM 0 HG2 ARG B 925 -1.189 -15.850 3.947 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -1.235 -14.774 2.565 1.00 15.00 H new ATOM 0 HD2 ARG B 925 -3.609 -16.532 3.246 1.00 15.00 H new ATOM 0 HD3 ARG B 925 -3.366 -14.999 4.057 1.00 15.00 H new ATOM 0 HE ARG B 925 -3.420 -13.928 1.762 1.00 15.00 H new ATOM 0 HH11 ARG B 925 -4.868 -17.110 2.291 1.00 15.00 H new ATOM 0 HH12 ARG B 925 -6.033 -16.922 0.976 1.00 15.00 H new ATOM 0 HH21 ARG B 925 -4.951 -13.685 0.108 1.00 15.00 H new ATOM 0 HH22 ARG B 925 -6.080 -14.995 -0.252 1.00 15.00 H new ATOM 554 N LEU B 926 -0.769 -14.625 -0.547 1.00 15.00 N ATOM 555 CA LEU B 926 0.219 -13.821 -1.259 1.00 15.00 C ATOM 556 C LEU B 926 1.285 -13.265 -0.312 1.00 15.00 C ATOM 557 O LEU B 926 1.047 -13.082 0.887 1.00 15.00 O ATOM 558 CB LEU B 926 -0.463 -12.702 -2.065 1.00 15.00 C ATOM 559 CG LEU B 926 -1.582 -11.928 -1.356 1.00 15.00 C ATOM 560 CD1 LEU B 926 -1.024 -11.008 -0.287 1.00 15.00 C ATOM 561 CD2 LEU B 926 -2.395 -11.133 -2.367 1.00 15.00 C ATOM 0 H LEU B 926 -1.685 -14.186 -0.451 1.00 15.00 H new ATOM 0 HA LEU B 926 0.732 -14.474 -1.965 1.00 15.00 H new ATOM 0 HB2 LEU B 926 0.302 -11.989 -2.373 1.00 15.00 H new ATOM 0 HB3 LEU B 926 -0.875 -13.140 -2.974 1.00 15.00 H new ATOM 0 HG LEU B 926 -2.234 -12.652 -0.867 1.00 15.00 H new ATOM 0 HD11 LEU B 926 -1.842 -10.474 0.197 1.00 15.00 H new ATOM 0 HD12 LEU B 926 -0.486 -11.597 0.456 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -0.342 -10.291 -0.744 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -3.186 -10.589 -1.851 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -1.744 -10.426 -2.882 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -2.838 -11.814 -3.094 1.00 15.00 H new ATOM 573 N ASP B 927 2.454 -12.990 -0.874 1.00 15.00 N ATOM 574 CA ASP B 927 3.615 -12.563 -0.102 1.00 15.00 C ATOM 575 C ASP B 927 3.648 -11.048 0.077 1.00 15.00 C ATOM 576 O ASP B 927 3.263 -10.291 -0.816 1.00 15.00 O ATOM 577 CB ASP B 927 4.894 -13.012 -0.812 1.00 15.00 C ATOM 578 CG ASP B 927 5.040 -12.389 -2.190 1.00 15.00 C ATOM 579 OD1 ASP B 927 4.388 -12.872 -3.136 1.00 15.00 O1- ATOM 580 OD2 ASP B 927 5.802 -11.407 -2.332 1.00 15.00 O ATOM 0 H ASP B 927 2.625 -13.056 -1.877 1.00 15.00 H new ATOM 0 HA ASP B 927 3.546 -13.021 0.885 1.00 15.00 H new ATOM 0 HB2 ASP B 927 5.757 -12.746 -0.202 1.00 15.00 H new ATOM 0 HB3 ASP B 927 4.893 -14.098 -0.905 1.00 15.00 H new ATOM 585 N LEU B 928 4.129 -10.615 1.233 1.00 15.00 N ATOM 586 CA LEU B 928 4.361 -9.203 1.488 1.00 15.00 C ATOM 587 C LEU B 928 5.856 -8.914 1.432 1.00 15.00 C ATOM 588 O LEU B 928 6.631 -9.488 2.198 1.00 15.00 O ATOM 589 CB LEU B 928 3.807 -8.812 2.864 1.00 15.00 C ATOM 590 CG LEU B 928 4.069 -7.365 3.298 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.411 -6.383 2.341 1.00 15.00 C ATOM 592 CD2 LEU B 928 3.570 -7.141 4.717 1.00 15.00 C ATOM 0 H LEU B 928 4.367 -11.227 2.014 1.00 15.00 H new ATOM 0 HA LEU B 928 3.848 -8.616 0.726 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.730 -8.983 2.864 1.00 15.00 H new ATOM 0 HB3 LEU B 928 4.236 -9.480 3.611 1.00 15.00 H new ATOM 0 HG LEU B 928 5.145 -7.191 3.274 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.612 -5.364 2.671 1.00 15.00 H new ATOM 0 HD12 LEU B 928 3.814 -6.526 1.339 1.00 15.00 H new ATOM 0 HD13 LEU B 928 2.335 -6.555 2.327 1.00 15.00 H new ATOM 0 HD21 LEU B 928 3.763 -6.109 5.012 1.00 15.00 H new ATOM 0 HD22 LEU B 928 2.499 -7.337 4.761 1.00 15.00 H new ATOM 0 HD23 LEU B 928 4.091 -7.816 5.397 1.00 15.00 H new ATOM 604 N PRO B 929 6.290 -8.035 0.521 1.00 15.00 N ATOM 605 CA PRO B 929 7.683 -7.620 0.436 1.00 15.00 C ATOM 606 C PRO B 929 7.988 -6.480 1.403 1.00 15.00 C ATOM 607 O PRO B 929 7.176 -5.567 1.561 1.00 15.00 O ATOM 608 CB PRO B 929 7.832 -7.140 -1.019 1.00 15.00 C ATOM 609 CG PRO B 929 6.466 -7.205 -1.637 1.00 15.00 C ATOM 610 CD PRO B 929 5.481 -7.385 -0.515 1.00 15.00 C ATOM 0 HA PRO B 929 8.369 -8.425 0.699 1.00 15.00 H new ATOM 0 HB2 PRO B 929 8.224 -6.123 -1.053 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.534 -7.771 -1.565 1.00 15.00 H new ATOM 0 HG2 PRO B 929 6.252 -6.293 -2.195 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.402 -8.033 -2.343 1.00 15.00 H new ATOM 0 HD2 PRO B 929 5.076 -6.432 -0.174 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.634 -8.002 -0.814 1.00 15.00 H new ATOM 618 N PRO B 930 9.156 -6.520 2.070 1.00 15.00 N ATOM 619 CA PRO B 930 9.614 -5.422 2.923 1.00 15.00 C ATOM 620 C PRO B 930 9.561 -4.102 2.165 1.00 15.00 C ATOM 621 O PRO B 930 10.108 -3.995 1.063 1.00 15.00 O ATOM 622 CB PRO B 930 11.064 -5.795 3.269 1.00 15.00 C ATOM 623 CG PRO B 930 11.414 -6.936 2.369 1.00 15.00 C ATOM 624 CD PRO B 930 10.121 -7.624 2.045 1.00 15.00 C ATOM 0 HA PRO B 930 8.995 -5.291 3.811 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.734 -4.950 3.109 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.155 -6.081 4.317 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.904 -6.581 1.462 1.00 15.00 H new ATOM 0 HG3 PRO B 930 12.107 -7.620 2.859 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.154 -8.111 1.071 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.876 -8.393 2.778 1.00 15.00 H new ATOM 632 N TYR B 931 8.892 -3.109 2.738 1.00 15.00 N ATOM 633 CA TYR B 931 8.575 -1.902 1.993 1.00 15.00 C ATOM 634 C TYR B 931 9.833 -1.135 1.607 1.00 15.00 C ATOM 635 O TYR B 931 10.612 -0.693 2.452 1.00 15.00 O ATOM 636 CB TYR B 931 7.625 -1.008 2.806 1.00 15.00 C ATOM 637 CG TYR B 931 7.262 0.305 2.133 1.00 15.00 C ATOM 638 CD1 TYR B 931 6.934 0.360 0.783 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.246 1.495 2.853 1.00 15.00 C ATOM 640 CE1 TYR B 931 6.607 1.555 0.175 1.00 15.00 C ATOM 641 CE2 TYR B 931 6.919 2.692 2.251 1.00 15.00 C ATOM 642 CZ TYR B 931 6.601 2.718 0.912 1.00 15.00 C ATOM 643 OH TYR B 931 6.275 3.910 0.306 1.00 15.00 O ATOM 0 H TYR B 931 8.563 -3.116 3.703 1.00 15.00 H new ATOM 0 HA TYR B 931 8.076 -2.200 1.071 1.00 15.00 H new ATOM 0 HB2 TYR B 931 6.709 -1.563 3.008 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.086 -0.792 3.770 1.00 15.00 H new ATOM 0 HD1 TYR B 931 6.935 -0.549 0.200 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.494 1.481 3.904 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.357 1.578 -0.875 1.00 15.00 H new ATOM 0 HE2 TYR B 931 6.912 3.605 2.828 1.00 15.00 H new ATOM 0 HH TYR B 931 5.649 3.743 -0.429 1.00 15.00 H new ATOM 653 N GLU B 932 10.001 -0.992 0.306 1.00 15.00 N ATOM 654 CA GLU B 932 10.971 -0.091 -0.275 1.00 15.00 C ATOM 655 C GLU B 932 10.179 1.041 -0.897 1.00 15.00 C ATOM 656 O GLU B 932 9.196 0.767 -1.584 1.00 15.00 O ATOM 657 CB GLU B 932 11.789 -0.819 -1.344 1.00 15.00 C ATOM 658 CG GLU B 932 12.897 0.023 -1.949 1.00 15.00 C ATOM 659 CD GLU B 932 13.503 -0.621 -3.178 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.830 -1.824 -3.130 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 13.643 0.070 -4.207 1.00 15.00 O ATOM 0 H GLU B 932 9.457 -1.508 -0.386 1.00 15.00 H new ATOM 0 HA GLU B 932 11.669 0.282 0.474 1.00 15.00 H new ATOM 0 HB2 GLU B 932 12.226 -1.716 -0.905 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.120 -1.147 -2.139 1.00 15.00 H new ATOM 0 HG2 GLU B 932 12.502 1.004 -2.213 1.00 15.00 H new ATOM 0 HG3 GLU B 932 13.676 0.183 -1.204 1.00 15.00 H new ATOM 668 N THR B 933 10.559 2.291 -0.667 1.00 15.00 N ATOM 669 CA THR B 933 9.747 3.389 -1.159 1.00 15.00 C ATOM 670 C THR B 933 9.569 3.305 -2.673 1.00 15.00 C ATOM 671 O THR B 933 10.531 3.313 -3.445 1.00 15.00 O ATOM 672 CB THR B 933 10.318 4.765 -0.775 1.00 15.00 C ATOM 673 OG1 THR B 933 10.592 4.795 0.632 1.00 15.00 O ATOM 674 CG2 THR B 933 9.316 5.865 -1.124 1.00 15.00 C ATOM 0 H THR B 933 11.400 2.563 -0.158 1.00 15.00 H new ATOM 0 HA THR B 933 8.774 3.290 -0.677 1.00 15.00 H new ATOM 0 HB THR B 933 11.240 4.935 -1.331 1.00 15.00 H new ATOM 0 HG1 THR B 933 10.957 5.671 0.876 1.00 15.00 H new ATOM 0 HG21 THR B 933 9.730 6.835 -0.848 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.115 5.848 -2.195 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.388 5.698 -0.578 1.00 15.00 H new ATOM 682 N PHE B 934 8.312 3.195 -3.055 1.00 15.00 N ATOM 683 CA PHE B 934 7.894 3.151 -4.444 1.00 15.00 C ATOM 684 C PHE B 934 7.741 4.585 -4.951 1.00 15.00 C ATOM 685 O PHE B 934 7.996 5.529 -4.196 1.00 15.00 O ATOM 686 CB PHE B 934 6.574 2.370 -4.563 1.00 15.00 C ATOM 687 CG PHE B 934 5.378 3.172 -4.151 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.341 3.799 -2.918 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.321 3.350 -5.020 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.271 4.580 -2.561 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.258 4.143 -4.672 1.00 15.00 C ATOM 692 CZ PHE B 934 3.233 4.757 -3.443 1.00 15.00 C ATOM 0 H PHE B 934 7.536 3.132 -2.396 1.00 15.00 H new ATOM 0 HA PHE B 934 8.639 2.639 -5.053 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.445 2.040 -5.594 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.633 1.473 -3.946 1.00 15.00 H new ATOM 0 HD1 PHE B 934 6.163 3.672 -2.229 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.331 2.860 -5.983 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.245 5.054 -1.591 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.441 4.285 -5.364 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.395 5.381 -3.170 1.00 15.00 H new ATOM 702 N GLU B 935 7.346 4.753 -6.211 1.00 15.00 N ATOM 703 CA GLU B 935 7.234 6.084 -6.814 1.00 15.00 C ATOM 704 C GLU B 935 6.464 7.047 -5.915 1.00 15.00 C ATOM 705 O GLU B 935 5.454 6.680 -5.304 1.00 15.00 O ATOM 706 CB GLU B 935 6.544 6.021 -8.181 1.00 15.00 C ATOM 707 CG GLU B 935 5.382 5.039 -8.273 1.00 15.00 C ATOM 708 CD GLU B 935 5.852 3.640 -8.611 1.00 15.00 C ATOM 709 OE1 GLU B 935 6.007 3.341 -9.810 1.00 15.00 O ATOM 710 OE2 GLU B 935 6.076 2.844 -7.684 1.00 15.00 O1- ATOM 0 H GLU B 935 7.098 3.986 -6.836 1.00 15.00 H new ATOM 0 HA GLU B 935 8.252 6.453 -6.940 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.179 7.017 -8.433 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.286 5.754 -8.933 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.844 5.022 -7.325 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.678 5.379 -9.033 1.00 15.00 H new ATOM 717 N ASP B 936 6.951 8.286 -5.862 1.00 15.00 N ATOM 718 CA ASP B 936 6.418 9.312 -4.964 1.00 15.00 C ATOM 719 C ASP B 936 4.911 9.463 -5.088 1.00 15.00 C ATOM 720 O ASP B 936 4.363 9.568 -6.188 1.00 15.00 O ATOM 721 CB ASP B 936 7.089 10.663 -5.220 1.00 15.00 C ATOM 722 CG ASP B 936 8.489 10.734 -4.652 1.00 15.00 C ATOM 723 OD1 ASP B 936 8.632 10.771 -3.414 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 9.459 10.764 -5.440 1.00 15.00 O ATOM 0 H ASP B 936 7.727 8.608 -6.441 1.00 15.00 H new ATOM 0 HA ASP B 936 6.640 8.981 -3.950 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.127 10.848 -6.293 1.00 15.00 H new ATOM 0 HB3 ASP B 936 6.482 11.455 -4.781 1.00 15.00 H new ATOM 729 N LEU B 937 4.258 9.480 -3.939 1.00 15.00 N ATOM 730 CA LEU B 937 2.817 9.649 -3.858 1.00 15.00 C ATOM 731 C LEU B 937 2.398 11.038 -4.338 1.00 15.00 C ATOM 732 O LEU B 937 3.060 12.037 -4.056 1.00 15.00 O ATOM 733 CB LEU B 937 2.294 9.344 -2.428 1.00 15.00 C ATOM 734 CG LEU B 937 2.761 10.227 -1.236 1.00 15.00 C ATOM 735 CD1 LEU B 937 4.273 10.395 -1.184 1.00 15.00 C ATOM 736 CD2 LEU B 937 2.065 11.582 -1.231 1.00 15.00 C ATOM 0 H LEU B 937 4.714 9.377 -3.032 1.00 15.00 H new ATOM 0 HA LEU B 937 2.354 8.924 -4.528 1.00 15.00 H new ATOM 0 HB2 LEU B 937 1.206 9.390 -2.462 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.562 8.313 -2.195 1.00 15.00 H new ATOM 0 HG LEU B 937 2.468 9.692 -0.333 1.00 15.00 H new ATOM 0 HD11 LEU B 937 4.541 11.020 -0.332 1.00 15.00 H new ATOM 0 HD12 LEU B 937 4.744 9.418 -1.079 1.00 15.00 H new ATOM 0 HD13 LEU B 937 4.618 10.867 -2.104 1.00 15.00 H new ATOM 0 HD21 LEU B 937 2.418 12.169 -0.383 1.00 15.00 H new ATOM 0 HD22 LEU B 937 2.290 12.110 -2.157 1.00 15.00 H new ATOM 0 HD23 LEU B 937 0.988 11.437 -1.149 1.00 15.00 H new HETATM 748 N NH2 B 938 1.323 11.089 -5.111 1.00 15.00 N TER 751 NH2 B 938