USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=8 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 HE2:sc= -1.65 X(o=-1.6,f=-1.7) USER MOD Set 1.2: B 931 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 500 THR OG1 : rot 180:sc= 0.695 USER MOD Set 2.2: A 502 THR OG1 : rot 105:sc= 0.788 USER MOD Single : A 485 MET CE :methyl 164:sc= -0.104 (180deg=-0.579) USER MOD Single : A 490 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.6!) USER MOD Single : A 499 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.19) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 THR OG1 : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 143:sc= -0.76 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -12.322 7.725 -0.420 1.00 15.00 N ATOM 2 CA PHE A 478 -11.098 7.141 -1.012 1.00 15.00 C ATOM 3 C PHE A 478 -10.139 6.712 0.099 1.00 15.00 C ATOM 4 O PHE A 478 -10.575 6.478 1.225 1.00 15.00 O ATOM 5 CB PHE A 478 -10.442 8.131 -1.999 1.00 15.00 C ATOM 6 CG PHE A 478 -9.937 9.416 -1.389 1.00 15.00 C ATOM 7 CD1 PHE A 478 -10.818 10.395 -0.959 1.00 15.00 C ATOM 8 CD2 PHE A 478 -8.577 9.644 -1.259 1.00 15.00 C ATOM 9 CE1 PHE A 478 -10.352 11.574 -0.410 1.00 15.00 C ATOM 10 CE2 PHE A 478 -8.105 10.823 -0.712 1.00 15.00 C ATOM 11 CZ PHE A 478 -8.993 11.789 -0.287 1.00 15.00 C ATOM 0 HA PHE A 478 -11.362 6.253 -1.585 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.608 7.629 -2.489 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -11.167 8.377 -2.775 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -11.882 10.235 -1.054 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.876 8.891 -1.589 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -11.050 12.328 -0.077 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -7.042 10.987 -0.618 1.00 15.00 H new ATOM 0 HZ PHE A 478 -8.627 12.711 0.141 1.00 15.00 H new ATOM 21 N LEU A 479 -8.855 6.570 -0.211 1.00 15.00 N ATOM 22 CA LEU A 479 -7.885 6.135 0.783 1.00 15.00 C ATOM 23 C LEU A 479 -7.478 7.294 1.692 1.00 15.00 C ATOM 24 O LEU A 479 -7.293 8.419 1.231 1.00 15.00 O ATOM 25 CB LEU A 479 -6.646 5.546 0.101 1.00 15.00 C ATOM 26 CG LEU A 479 -6.344 4.088 0.464 1.00 15.00 C ATOM 27 CD1 LEU A 479 -7.366 3.154 -0.167 1.00 15.00 C ATOM 28 CD2 LEU A 479 -4.950 3.700 0.018 1.00 15.00 C ATOM 0 H LEU A 479 -8.465 6.749 -1.136 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.353 5.364 1.394 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -6.775 5.618 -0.979 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -5.781 6.157 0.360 1.00 15.00 H new ATOM 0 HG LEU A 479 -6.403 3.995 1.548 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -7.133 2.124 0.103 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -8.363 3.408 0.194 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.335 3.260 -1.251 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.758 2.661 0.286 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.868 3.817 -1.063 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.219 4.342 0.509 1.00 15.00 H new ATOM 40 N PRO A 480 -7.377 7.025 3.004 1.00 15.00 N ATOM 41 CA PRO A 480 -6.852 7.979 4.000 1.00 15.00 C ATOM 42 C PRO A 480 -5.569 8.689 3.541 1.00 15.00 C ATOM 43 O PRO A 480 -4.786 8.132 2.778 1.00 15.00 O ATOM 44 CB PRO A 480 -6.560 7.062 5.180 1.00 15.00 C ATOM 45 CG PRO A 480 -7.626 6.033 5.106 1.00 15.00 C ATOM 46 CD PRO A 480 -7.805 5.759 3.638 1.00 15.00 C ATOM 0 HA PRO A 480 -7.547 8.793 4.206 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.568 6.616 5.103 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.593 7.604 6.125 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.339 5.129 5.644 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -8.552 6.391 5.556 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.196 4.917 3.308 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -8.840 5.517 3.397 1.00 15.00 H new ATOM 54 N PRO A 481 -5.322 9.910 4.055 1.00 15.00 N ATOM 55 CA PRO A 481 -4.225 10.789 3.600 1.00 15.00 C ATOM 56 C PRO A 481 -2.845 10.118 3.513 1.00 15.00 C ATOM 57 O PRO A 481 -2.069 10.422 2.604 1.00 15.00 O ATOM 58 CB PRO A 481 -4.205 11.900 4.649 1.00 15.00 C ATOM 59 CG PRO A 481 -5.602 11.957 5.158 1.00 15.00 C ATOM 60 CD PRO A 481 -6.109 10.542 5.132 1.00 15.00 C ATOM 0 HA PRO A 481 -4.409 11.121 2.578 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -3.500 11.677 5.450 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -3.902 12.852 4.213 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -5.633 12.364 6.169 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.219 12.604 4.534 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -5.953 10.043 6.088 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.178 10.503 4.923 1.00 15.00 H new ATOM 68 N GLY A 482 -2.521 9.239 4.457 1.00 15.00 N ATOM 69 CA GLY A 482 -1.218 8.590 4.431 1.00 15.00 C ATOM 70 C GLY A 482 -1.259 7.247 3.756 1.00 15.00 C ATOM 71 O GLY A 482 -0.228 6.607 3.576 1.00 15.00 O ATOM 0 H GLY A 482 -3.127 8.966 5.231 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -0.506 9.232 3.913 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.855 8.470 5.452 1.00 15.00 H new ATOM 75 N TRP A 483 -2.444 6.816 3.389 1.00 15.00 N ATOM 76 CA TRP A 483 -2.609 5.535 2.740 1.00 15.00 C ATOM 77 C TRP A 483 -2.611 5.719 1.235 1.00 15.00 C ATOM 78 O TRP A 483 -3.433 6.446 0.682 1.00 15.00 O ATOM 79 CB TRP A 483 -3.889 4.847 3.218 1.00 15.00 C ATOM 80 CG TRP A 483 -3.788 4.346 4.625 1.00 15.00 C ATOM 81 CD1 TRP A 483 -3.857 5.089 5.767 1.00 15.00 C ATOM 82 CD2 TRP A 483 -3.584 2.992 5.039 1.00 15.00 C ATOM 83 NE1 TRP A 483 -3.718 4.282 6.865 1.00 15.00 N ATOM 84 CE2 TRP A 483 -3.546 2.988 6.445 1.00 15.00 C ATOM 85 CE3 TRP A 483 -3.429 1.781 4.357 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -3.361 1.822 7.182 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.244 0.625 5.089 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.211 0.652 6.489 1.00 15.00 C ATOM 0 H TRP A 483 -3.311 7.335 3.529 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.772 4.890 3.007 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.721 5.547 3.145 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.116 4.012 2.555 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.000 6.159 5.801 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.739 4.593 7.836 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.454 1.751 3.278 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -3.337 1.840 8.262 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.123 -0.316 4.573 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.064 -0.270 7.033 1.00 15.00 H new ATOM 99 N GLU A 484 -1.670 5.065 0.590 1.00 15.00 N ATOM 100 CA GLU A 484 -1.505 5.169 -0.841 1.00 15.00 C ATOM 101 C GLU A 484 -1.808 3.821 -1.486 1.00 15.00 C ATOM 102 O GLU A 484 -1.384 2.781 -0.993 1.00 15.00 O ATOM 103 CB GLU A 484 -0.077 5.608 -1.144 1.00 15.00 C ATOM 104 CG GLU A 484 0.023 6.794 -2.086 1.00 15.00 C ATOM 105 CD GLU A 484 -0.538 6.524 -3.468 1.00 15.00 C ATOM 106 OE1 GLU A 484 -1.762 6.312 -3.588 1.00 15.00 O ATOM 107 OE2 GLU A 484 0.245 6.543 -4.436 1.00 15.00 O1- ATOM 0 H GLU A 484 -0.998 4.446 1.044 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.195 5.908 -1.249 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.420 5.859 -0.207 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.465 4.768 -1.577 1.00 15.00 H new ATOM 0 HG2 GLU A 484 -0.506 7.640 -1.648 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.069 7.086 -2.179 1.00 15.00 H new ATOM 114 N MET A 485 -2.507 3.846 -2.596 1.00 15.00 N ATOM 115 CA MET A 485 -3.008 2.622 -3.211 1.00 15.00 C ATOM 116 C MET A 485 -2.388 2.431 -4.590 1.00 15.00 C ATOM 117 O MET A 485 -2.770 3.090 -5.559 1.00 15.00 O ATOM 118 CB MET A 485 -4.539 2.670 -3.297 1.00 15.00 C ATOM 119 CG MET A 485 -5.174 1.392 -3.818 1.00 15.00 C ATOM 120 SD MET A 485 -6.978 1.425 -3.736 1.00 15.00 S ATOM 121 CE MET A 485 -7.341 2.858 -4.748 1.00 15.00 C ATOM 0 H MET A 485 -2.747 4.700 -3.100 1.00 15.00 H new ATOM 0 HA MET A 485 -2.725 1.769 -2.594 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.941 2.884 -2.307 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.830 3.497 -3.945 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.864 1.232 -4.851 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.804 0.545 -3.240 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.394 2.848 -5.029 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.124 3.766 -4.185 1.00 15.00 H new ATOM 0 HE3 MET A 485 -6.726 2.834 -5.647 1.00 15.00 H new ATOM 131 N ARG A 486 -1.411 1.537 -4.662 1.00 15.00 N ATOM 132 CA ARG A 486 -0.596 1.372 -5.862 1.00 15.00 C ATOM 133 C ARG A 486 -0.321 -0.101 -6.115 1.00 15.00 C ATOM 134 O ARG A 486 -0.259 -0.892 -5.176 1.00 15.00 O ATOM 135 CB ARG A 486 0.724 2.123 -5.687 1.00 15.00 C ATOM 136 CG ARG A 486 0.546 3.623 -5.529 1.00 15.00 C ATOM 137 CD ARG A 486 0.220 4.293 -6.851 1.00 15.00 C ATOM 138 NE ARG A 486 1.367 4.274 -7.758 1.00 15.00 N ATOM 139 CZ ARG A 486 1.304 3.934 -9.040 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.143 3.583 -9.582 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.405 3.948 -9.779 1.00 15.00 N ATOM 0 H ARG A 486 -1.161 0.909 -3.898 1.00 15.00 H new ATOM 0 HA ARG A 486 -1.136 1.778 -6.717 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.243 1.732 -4.812 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.362 1.929 -6.549 1.00 15.00 H new ATOM 0 HG2 ARG A 486 -0.253 3.821 -4.814 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.457 4.056 -5.117 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.624 3.786 -7.319 1.00 15.00 H new ATOM 0 HD3 ARG A 486 -0.087 5.324 -6.672 1.00 15.00 H new ATOM 0 HE ARG A 486 2.277 4.540 -7.380 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.704 3.574 -9.013 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.098 3.322 -10.567 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.296 4.219 -9.362 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.361 3.688 -10.764 1.00 15.00 H new ATOM 155 N ILE A 487 -0.155 -0.479 -7.374 1.00 15.00 N ATOM 156 CA ILE A 487 0.134 -1.864 -7.695 1.00 15.00 C ATOM 157 C ILE A 487 1.632 -2.088 -7.883 1.00 15.00 C ATOM 158 O ILE A 487 2.373 -1.183 -8.271 1.00 15.00 O ATOM 159 CB ILE A 487 -0.627 -2.393 -8.946 1.00 15.00 C ATOM 160 CG1 ILE A 487 0.092 -2.039 -10.259 1.00 15.00 C ATOM 161 CG2 ILE A 487 -2.056 -1.865 -8.961 1.00 15.00 C ATOM 162 CD1 ILE A 487 -0.178 -0.645 -10.773 1.00 15.00 C ATOM 0 H ILE A 487 -0.215 0.146 -8.178 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.223 -2.433 -6.837 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.649 -3.480 -8.875 1.00 15.00 H new ATOM 0 HG12 ILE A 487 1.166 -2.155 -10.112 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.204 -2.757 -11.024 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.575 -2.244 -9.842 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.576 -2.197 -8.063 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -2.041 -0.775 -8.989 1.00 15.00 H new ATOM 0 HD11 ILE A 487 0.371 -0.487 -11.701 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -1.246 -0.526 -10.958 1.00 15.00 H new ATOM 0 HD13 ILE A 487 0.146 0.085 -10.031 1.00 15.00 H new ATOM 174 N ALA A 488 2.057 -3.297 -7.572 1.00 15.00 N ATOM 175 CA ALA A 488 3.407 -3.751 -7.849 1.00 15.00 C ATOM 176 C ALA A 488 3.400 -4.370 -9.237 1.00 15.00 C ATOM 177 O ALA A 488 2.356 -4.851 -9.654 1.00 15.00 O ATOM 178 CB ALA A 488 3.861 -4.765 -6.799 1.00 15.00 C ATOM 0 H ALA A 488 1.472 -3.997 -7.117 1.00 15.00 H new ATOM 0 HA ALA A 488 4.109 -2.918 -7.810 1.00 15.00 H new ATOM 0 HB1 ALA A 488 4.876 -5.093 -7.025 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.841 -4.301 -5.813 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.191 -5.625 -6.810 1.00 15.00 H new ATOM 184 N PRO A 489 4.532 -4.320 -9.978 1.00 15.00 N ATOM 185 CA PRO A 489 4.618 -4.695 -11.421 1.00 15.00 C ATOM 186 C PRO A 489 3.956 -6.029 -11.833 1.00 15.00 C ATOM 187 O PRO A 489 3.952 -6.378 -13.013 1.00 15.00 O ATOM 188 CB PRO A 489 6.124 -4.768 -11.663 1.00 15.00 C ATOM 189 CG PRO A 489 6.700 -3.790 -10.703 1.00 15.00 C ATOM 190 CD PRO A 489 5.845 -3.875 -9.467 1.00 15.00 C ATOM 0 HA PRO A 489 4.067 -3.968 -12.017 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.507 -5.773 -11.485 1.00 15.00 H new ATOM 0 HB3 PRO A 489 6.374 -4.510 -12.692 1.00 15.00 H new ATOM 0 HG2 PRO A 489 7.739 -4.030 -10.477 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.689 -2.782 -11.118 1.00 15.00 H new ATOM 0 HD2 PRO A 489 6.254 -4.582 -8.745 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.773 -2.911 -8.963 1.00 15.00 H new ATOM 198 N ASN A 490 3.422 -6.778 -10.881 1.00 15.00 N ATOM 199 CA ASN A 490 2.642 -7.975 -11.192 1.00 15.00 C ATOM 200 C ASN A 490 1.177 -7.598 -11.408 1.00 15.00 C ATOM 201 O ASN A 490 0.346 -8.436 -11.756 1.00 15.00 O ATOM 202 CB ASN A 490 2.730 -9.001 -10.054 1.00 15.00 C ATOM 203 CG ASN A 490 4.135 -9.520 -9.807 1.00 15.00 C ATOM 204 OD1 ASN A 490 5.124 -8.811 -9.996 1.00 15.00 O ATOM 205 ND2 ASN A 490 4.228 -10.768 -9.376 1.00 15.00 N ATOM 0 H ASN A 490 3.512 -6.581 -9.884 1.00 15.00 H new ATOM 0 HA ASN A 490 3.053 -8.418 -12.099 1.00 15.00 H new ATOM 0 HB2 ASN A 490 2.354 -8.547 -9.137 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.077 -9.843 -10.284 1.00 15.00 H new ATOM 0 HD21 ASN A 490 5.144 -11.176 -9.188 1.00 15.00 H new ATOM 0 HD22 ASN A 490 3.384 -11.322 -9.232 1.00 15.00 H new ATOM 212 N GLY A 491 0.876 -6.323 -11.195 1.00 15.00 N ATOM 213 CA GLY A 491 -0.491 -5.842 -11.223 1.00 15.00 C ATOM 214 C GLY A 491 -1.209 -6.129 -9.918 1.00 15.00 C ATOM 215 O GLY A 491 -2.434 -6.211 -9.873 1.00 15.00 O ATOM 0 H GLY A 491 1.570 -5.601 -11.000 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -0.496 -4.769 -11.414 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -1.027 -6.315 -12.046 1.00 15.00 H new ATOM 219 N ARG A 492 -0.433 -6.287 -8.853 1.00 15.00 N ATOM 220 CA ARG A 492 -0.986 -6.533 -7.525 1.00 15.00 C ATOM 221 C ARG A 492 -1.090 -5.229 -6.746 1.00 15.00 C ATOM 222 O ARG A 492 -0.084 -4.561 -6.524 1.00 15.00 O ATOM 223 CB ARG A 492 -0.129 -7.541 -6.744 1.00 15.00 C ATOM 224 CG ARG A 492 1.374 -7.307 -6.837 1.00 15.00 C ATOM 225 CD ARG A 492 2.150 -8.467 -6.227 1.00 15.00 C ATOM 226 NE ARG A 492 3.599 -8.247 -6.239 1.00 15.00 N ATOM 227 CZ ARG A 492 4.490 -9.125 -5.768 1.00 15.00 C ATOM 228 NH1 ARG A 492 4.093 -10.298 -5.297 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 5.783 -8.836 -5.791 1.00 15.00 N ATOM 0 H ARG A 492 0.586 -6.249 -8.883 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.982 -6.956 -7.651 1.00 15.00 H new ATOM 0 HB2 ARG A 492 -0.423 -7.511 -5.695 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -0.350 -8.544 -7.109 1.00 15.00 H new ATOM 0 HG2 ARG A 492 1.662 -7.183 -7.881 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.633 -6.382 -6.322 1.00 15.00 H new ATOM 0 HD2 ARG A 492 1.818 -8.620 -5.200 1.00 15.00 H new ATOM 0 HD3 ARG A 492 1.921 -9.381 -6.776 1.00 15.00 H new ATOM 0 HE ARG A 492 3.948 -7.372 -6.630 1.00 15.00 H new ATOM 0 HH11 ARG A 492 3.101 -10.536 -5.292 1.00 15.00 H new ATOM 0 HH12 ARG A 492 4.779 -10.963 -4.939 1.00 15.00 H new ATOM 0 HH21 ARG A 492 6.099 -7.943 -6.168 1.00 15.00 H new ATOM 0 HH22 ARG A 492 6.462 -9.507 -5.431 1.00 15.00 H new ATOM 243 N PRO A 493 -2.297 -4.864 -6.297 1.00 15.00 N ATOM 244 CA PRO A 493 -2.535 -3.594 -5.621 1.00 15.00 C ATOM 245 C PRO A 493 -2.345 -3.690 -4.110 1.00 15.00 C ATOM 246 O PRO A 493 -2.931 -4.550 -3.452 1.00 15.00 O ATOM 247 CB PRO A 493 -4.001 -3.315 -5.949 1.00 15.00 C ATOM 248 CG PRO A 493 -4.636 -4.664 -6.097 1.00 15.00 C ATOM 249 CD PRO A 493 -3.536 -5.649 -6.428 1.00 15.00 C ATOM 0 HA PRO A 493 -1.841 -2.818 -5.943 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.479 -2.740 -5.156 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.095 -2.733 -6.866 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.145 -4.952 -5.177 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -5.388 -4.650 -6.886 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.543 -6.499 -5.745 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.649 -6.049 -7.436 1.00 15.00 H new ATOM 257 N PHE A 494 -1.524 -2.807 -3.566 1.00 15.00 N ATOM 258 CA PHE A 494 -1.272 -2.802 -2.139 1.00 15.00 C ATOM 259 C PHE A 494 -1.478 -1.412 -1.539 1.00 15.00 C ATOM 260 O PHE A 494 -1.301 -0.393 -2.212 1.00 15.00 O ATOM 261 CB PHE A 494 0.131 -3.355 -1.821 1.00 15.00 C ATOM 262 CG PHE A 494 1.307 -2.695 -2.519 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.397 -1.316 -2.681 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.348 -3.480 -2.991 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.496 -0.740 -3.303 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.445 -2.912 -3.611 1.00 15.00 C ATOM 267 CZ PHE A 494 3.519 -1.543 -3.768 1.00 15.00 C ATOM 0 H PHE A 494 -1.024 -2.089 -4.090 1.00 15.00 H new ATOM 0 HA PHE A 494 -2.000 -3.465 -1.672 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.289 -3.279 -0.745 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.141 -4.416 -2.070 1.00 15.00 H new ATOM 0 HD1 PHE A 494 0.600 -0.684 -2.317 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.301 -4.552 -2.872 1.00 15.00 H new ATOM 0 HE1 PHE A 494 2.551 0.332 -3.423 1.00 15.00 H new ATOM 0 HE2 PHE A 494 4.245 -3.540 -3.973 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.376 -1.100 -4.254 1.00 15.00 H new ATOM 277 N PHE A 495 -1.878 -1.387 -0.278 1.00 15.00 N ATOM 278 CA PHE A 495 -2.090 -0.143 0.441 1.00 15.00 C ATOM 279 C PHE A 495 -0.871 0.180 1.297 1.00 15.00 C ATOM 280 O PHE A 495 -0.620 -0.468 2.313 1.00 15.00 O ATOM 281 CB PHE A 495 -3.330 -0.239 1.337 1.00 15.00 C ATOM 282 CG PHE A 495 -4.533 -0.826 0.655 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.251 -0.093 -0.276 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.950 -2.113 0.953 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.361 -0.633 -0.896 1.00 15.00 C ATOM 286 CE2 PHE A 495 -6.059 -2.658 0.335 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.766 -1.917 -0.590 1.00 15.00 C ATOM 0 H PHE A 495 -2.064 -2.225 0.273 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.244 0.651 -0.290 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.089 -0.845 2.210 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.581 0.758 1.700 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.939 0.912 -0.520 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.402 -2.697 1.677 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.912 -0.051 -1.620 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.372 -3.663 0.576 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.634 -2.340 -1.073 1.00 15.00 H new ATOM 297 N ILE A 496 -0.097 1.157 0.863 1.00 15.00 N ATOM 298 CA ILE A 496 1.061 1.604 1.613 1.00 15.00 C ATOM 299 C ILE A 496 0.679 2.747 2.522 1.00 15.00 C ATOM 300 O ILE A 496 0.372 3.839 2.047 1.00 15.00 O ATOM 301 CB ILE A 496 2.206 2.092 0.698 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.622 0.994 -0.276 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.398 2.542 1.536 1.00 15.00 C ATOM 304 CD1 ILE A 496 3.809 1.360 -1.135 1.00 15.00 C ATOM 0 H ILE A 496 -0.251 1.659 -0.011 1.00 15.00 H new ATOM 0 HA ILE A 496 1.410 0.743 2.184 1.00 15.00 H new ATOM 0 HB ILE A 496 1.846 2.943 0.120 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.858 0.091 0.288 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.777 0.755 -0.922 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.197 2.883 0.878 1.00 15.00 H new ATOM 0 HG22 ILE A 496 3.094 3.358 2.192 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.756 1.707 2.138 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.045 0.530 -1.801 1.00 15.00 H new ATOM 0 HD12 ILE A 496 3.571 2.244 -1.726 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.668 1.570 -0.498 1.00 15.00 H new ATOM 316 N ASP A 497 0.698 2.522 3.819 1.00 15.00 N ATOM 317 CA ASP A 497 0.486 3.615 4.732 1.00 15.00 C ATOM 318 C ASP A 497 1.817 4.239 5.060 1.00 15.00 C ATOM 319 O ASP A 497 2.774 3.578 5.464 1.00 15.00 O ATOM 320 CB ASP A 497 -0.241 3.206 6.000 1.00 15.00 C ATOM 321 CG ASP A 497 0.666 3.112 7.203 1.00 15.00 C ATOM 322 OD1 ASP A 497 1.262 2.037 7.423 1.00 15.00 O1- ATOM 323 OD2 ASP A 497 0.793 4.129 7.927 1.00 15.00 O ATOM 0 H ASP A 497 0.855 1.613 4.253 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.164 4.338 4.239 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.032 3.927 6.206 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -0.722 2.241 5.840 1.00 15.00 H new ATOM 328 N HIS A 498 1.880 5.504 4.801 1.00 15.00 N ATOM 329 CA HIS A 498 3.103 6.251 4.959 1.00 15.00 C ATOM 330 C HIS A 498 3.353 6.647 6.410 1.00 15.00 C ATOM 331 O HIS A 498 4.461 7.049 6.763 1.00 15.00 O ATOM 332 CB HIS A 498 3.096 7.459 4.017 1.00 15.00 C ATOM 333 CG HIS A 498 3.126 7.045 2.573 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.292 6.968 1.843 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.137 6.621 1.740 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.029 6.509 0.634 1.00 15.00 C ATOM 337 NE2 HIS A 498 2.728 6.295 0.542 1.00 15.00 N ATOM 0 H HIS A 498 1.089 6.057 4.473 1.00 15.00 H new ATOM 0 HA HIS A 498 3.939 5.608 4.683 1.00 15.00 H new ATOM 0 HB2 HIS A 498 2.206 8.060 4.204 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.958 8.091 4.231 1.00 15.00 H new ATOM 0 HD1 HIS A 498 5.218 7.226 2.185 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.085 6.553 1.976 1.00 15.00 H new ATOM 0 HE1 HIS A 498 4.754 6.337 -0.148 1.00 15.00 H new ATOM 346 N ASN A 499 2.326 6.544 7.254 1.00 15.00 N ATOM 347 CA ASN A 499 2.424 7.095 8.602 1.00 15.00 C ATOM 348 C ASN A 499 3.182 6.172 9.557 1.00 15.00 C ATOM 349 O ASN A 499 4.107 6.619 10.236 1.00 15.00 O ATOM 350 CB ASN A 499 1.018 7.362 9.142 1.00 15.00 C ATOM 351 CG ASN A 499 0.248 8.350 8.286 1.00 15.00 C ATOM 352 OD1 ASN A 499 0.795 9.353 7.824 1.00 15.00 O ATOM 353 ND2 ASN A 499 -1.016 8.051 8.028 1.00 15.00 N ATOM 0 H ASN A 499 1.437 6.095 7.034 1.00 15.00 H new ATOM 0 HA ASN A 499 2.990 8.025 8.540 1.00 15.00 H new ATOM 0 HB2 ASN A 499 0.467 6.423 9.193 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.089 7.746 10.160 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.572 8.660 7.428 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -1.434 7.211 8.429 1.00 15.00 H new ATOM 360 N THR A 500 2.802 4.895 9.631 1.00 15.00 N ATOM 361 CA THR A 500 3.643 3.899 10.291 1.00 15.00 C ATOM 362 C THR A 500 4.748 3.419 9.352 1.00 15.00 C ATOM 363 O THR A 500 5.769 2.884 9.797 1.00 15.00 O ATOM 364 CB THR A 500 2.849 2.721 10.942 1.00 15.00 C ATOM 365 OG1 THR A 500 3.577 1.486 10.866 1.00 15.00 O ATOM 366 CG2 THR A 500 1.475 2.541 10.337 1.00 15.00 C ATOM 0 H THR A 500 1.930 4.531 9.247 1.00 15.00 H new ATOM 0 HA THR A 500 4.112 4.402 11.137 1.00 15.00 H new ATOM 0 HB THR A 500 2.721 2.993 11.990 1.00 15.00 H new ATOM 0 HG1 THR A 500 3.053 0.771 11.283 1.00 15.00 H new ATOM 0 HG21 THR A 500 0.968 1.709 10.827 1.00 15.00 H new ATOM 0 HG22 THR A 500 0.894 3.453 10.476 1.00 15.00 H new ATOM 0 HG23 THR A 500 1.571 2.331 9.272 1.00 15.00 H new ATOM 374 N LYS A 501 4.519 3.624 8.045 1.00 15.00 N ATOM 375 CA LYS A 501 5.447 3.209 6.987 1.00 15.00 C ATOM 376 C LYS A 501 5.354 1.696 6.774 1.00 15.00 C ATOM 377 O LYS A 501 6.355 0.978 6.780 1.00 15.00 O ATOM 378 CB LYS A 501 6.889 3.645 7.293 1.00 15.00 C ATOM 379 CG LYS A 501 7.836 3.500 6.111 1.00 15.00 C ATOM 380 CD LYS A 501 9.254 3.896 6.484 1.00 15.00 C ATOM 381 CE LYS A 501 10.207 3.716 5.315 1.00 15.00 C ATOM 382 NZ LYS A 501 11.608 4.039 5.690 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.680 4.085 7.693 1.00 15.00 H new ATOM 0 HA LYS A 501 5.157 3.708 6.063 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.883 4.686 7.617 1.00 15.00 H new ATOM 0 HB3 LYS A 501 7.269 3.054 8.126 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.826 2.468 5.759 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.488 4.122 5.286 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.269 4.936 6.810 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.592 3.293 7.327 1.00 15.00 H new ATOM 0 HE2 LYS A 501 10.154 2.687 4.958 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.895 4.356 4.490 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 12.228 3.904 4.866 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.663 5.028 6.007 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.915 3.411 6.460 1.00 15.00 H new ATOM 396 N THR A 502 4.132 1.216 6.611 1.00 15.00 N ATOM 397 CA THR A 502 3.875 -0.206 6.449 1.00 15.00 C ATOM 398 C THR A 502 2.966 -0.451 5.239 1.00 15.00 C ATOM 399 O THR A 502 2.111 0.371 4.921 1.00 15.00 O ATOM 400 CB THR A 502 3.223 -0.779 7.725 1.00 15.00 C ATOM 401 OG1 THR A 502 3.996 -0.392 8.871 1.00 15.00 O ATOM 402 CG2 THR A 502 3.129 -2.298 7.669 1.00 15.00 C ATOM 0 H THR A 502 3.294 1.797 6.587 1.00 15.00 H new ATOM 0 HA THR A 502 4.825 -0.712 6.280 1.00 15.00 H new ATOM 0 HB THR A 502 2.212 -0.378 7.798 1.00 15.00 H new ATOM 0 HG1 THR A 502 3.527 0.318 9.357 1.00 15.00 H new ATOM 0 HG21 THR A 502 2.665 -2.668 8.583 1.00 15.00 H new ATOM 0 HG22 THR A 502 2.526 -2.594 6.811 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.129 -2.721 7.573 1.00 15.00 H new ATOM 410 N THR A 503 3.165 -1.568 4.550 1.00 15.00 N ATOM 411 CA THR A 503 2.365 -1.886 3.378 1.00 15.00 C ATOM 412 C THR A 503 1.455 -3.082 3.659 1.00 15.00 C ATOM 413 O THR A 503 1.902 -4.102 4.180 1.00 15.00 O ATOM 414 CB THR A 503 3.272 -2.191 2.174 1.00 15.00 C ATOM 415 OG1 THR A 503 4.359 -1.256 2.148 1.00 15.00 O ATOM 416 CG2 THR A 503 2.496 -2.092 0.873 1.00 15.00 C ATOM 0 H THR A 503 3.872 -2.266 4.783 1.00 15.00 H new ATOM 0 HA THR A 503 1.746 -1.020 3.143 1.00 15.00 H new ATOM 0 HB THR A 503 3.653 -3.207 2.276 1.00 15.00 H new ATOM 0 HG1 THR A 503 4.939 -1.450 1.382 1.00 15.00 H new ATOM 0 HG21 THR A 503 3.159 -2.312 0.036 1.00 15.00 H new ATOM 0 HG22 THR A 503 1.675 -2.809 0.884 1.00 15.00 H new ATOM 0 HG23 THR A 503 2.096 -1.084 0.764 1.00 15.00 H new ATOM 424 N THR A 504 0.178 -2.948 3.322 1.00 15.00 N ATOM 425 CA THR A 504 -0.808 -3.978 3.619 1.00 15.00 C ATOM 426 C THR A 504 -1.560 -4.415 2.359 1.00 15.00 C ATOM 427 O THR A 504 -1.720 -3.634 1.421 1.00 15.00 O ATOM 428 CB THR A 504 -1.826 -3.474 4.662 1.00 15.00 C ATOM 429 OG1 THR A 504 -2.405 -2.242 4.221 1.00 15.00 O ATOM 430 CG2 THR A 504 -1.167 -3.269 6.018 1.00 15.00 C ATOM 0 H THR A 504 -0.200 -2.132 2.841 1.00 15.00 H new ATOM 0 HA THR A 504 -0.266 -4.834 4.020 1.00 15.00 H new ATOM 0 HB THR A 504 -2.604 -4.230 4.767 1.00 15.00 H new ATOM 0 HG1 THR A 504 -3.351 -2.216 4.474 1.00 15.00 H new ATOM 0 HG21 THR A 504 -1.909 -2.913 6.733 1.00 15.00 H new ATOM 0 HG22 THR A 504 -0.751 -4.214 6.367 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.369 -2.532 5.927 1.00 15.00 H new ATOM 438 N TRP A 505 -1.992 -5.674 2.339 1.00 15.00 N ATOM 439 CA TRP A 505 -2.823 -6.183 1.249 1.00 15.00 C ATOM 440 C TRP A 505 -4.302 -5.988 1.561 1.00 15.00 C ATOM 441 O TRP A 505 -5.128 -5.838 0.663 1.00 15.00 O ATOM 442 CB TRP A 505 -2.597 -7.679 1.027 1.00 15.00 C ATOM 443 CG TRP A 505 -1.282 -8.062 0.420 1.00 15.00 C ATOM 444 CD1 TRP A 505 -0.252 -8.695 1.045 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.876 -7.878 -0.941 1.00 15.00 C ATOM 446 NE1 TRP A 505 0.766 -8.934 0.156 1.00 15.00 N ATOM 447 CE2 TRP A 505 0.409 -8.436 -1.072 1.00 15.00 C ATOM 448 CE3 TRP A 505 -1.476 -7.298 -2.061 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.100 -8.436 -2.282 1.00 15.00 C ATOM 450 CZ3 TRP A 505 -0.791 -7.297 -3.258 1.00 15.00 C ATOM 451 CH2 TRP A 505 0.485 -7.865 -3.363 1.00 15.00 C ATOM 0 H TRP A 505 -1.781 -6.360 3.064 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.541 -5.626 0.356 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.693 -8.187 1.987 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -3.394 -8.055 0.386 1.00 15.00 H new ATOM 0 HD1 TRP A 505 -0.238 -8.970 2.089 1.00 15.00 H new ATOM 0 HE1 TRP A 505 1.644 -9.405 0.373 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -2.460 -6.858 -1.991 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.085 -8.871 -2.364 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -1.246 -6.850 -4.130 1.00 15.00 H new ATOM 0 HH2 TRP A 505 0.993 -7.852 -4.316 1.00 15.00 H new ATOM 462 N GLU A 506 -4.626 -6.037 2.845 1.00 15.00 N ATOM 463 CA GLU A 506 -6.011 -6.060 3.295 1.00 15.00 C ATOM 464 C GLU A 506 -6.553 -4.681 3.530 1.00 15.00 C ATOM 465 O GLU A 506 -5.894 -3.821 4.109 1.00 15.00 O ATOM 466 CB GLU A 506 -6.142 -6.910 4.561 1.00 15.00 C ATOM 467 CG GLU A 506 -6.624 -8.331 4.302 1.00 15.00 C ATOM 468 CD GLU A 506 -5.891 -9.013 3.166 1.00 15.00 C ATOM 469 OE1 GLU A 506 -4.774 -9.524 3.386 1.00 15.00 O ATOM 470 OE2 GLU A 506 -6.445 -9.059 2.049 1.00 15.00 O1- ATOM 0 H GLU A 506 -3.941 -6.062 3.601 1.00 15.00 H new ATOM 0 HA GLU A 506 -6.606 -6.508 2.499 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -5.175 -6.950 5.062 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -6.835 -6.421 5.245 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -6.501 -8.920 5.211 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -7.690 -8.311 4.077 1.00 15.00 H new ATOM 477 N ASP A 507 -7.783 -4.507 3.083 1.00 15.00 N ATOM 478 CA ASP A 507 -8.464 -3.244 3.198 1.00 15.00 C ATOM 479 C ASP A 507 -8.770 -2.940 4.659 1.00 15.00 C ATOM 480 O ASP A 507 -9.526 -3.669 5.306 1.00 15.00 O ATOM 481 CB ASP A 507 -9.756 -3.253 2.375 1.00 15.00 C ATOM 482 CG ASP A 507 -10.492 -1.924 2.403 1.00 15.00 C ATOM 483 OD1 ASP A 507 -11.261 -1.677 3.354 1.00 15.00 O ATOM 484 OD2 ASP A 507 -10.330 -1.132 1.449 1.00 15.00 O1- ATOM 0 H ASP A 507 -8.331 -5.239 2.632 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.812 -2.463 2.807 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -9.520 -3.508 1.342 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -10.415 -4.034 2.754 1.00 15.00 H new ATOM 489 N PRO A 508 -8.170 -1.874 5.200 1.00 15.00 N ATOM 490 CA PRO A 508 -8.362 -1.481 6.590 1.00 15.00 C ATOM 491 C PRO A 508 -9.745 -0.886 6.819 1.00 15.00 C ATOM 492 O PRO A 508 -10.655 -1.582 7.271 1.00 15.00 O ATOM 493 CB PRO A 508 -7.274 -0.422 6.834 1.00 15.00 C ATOM 494 CG PRO A 508 -6.408 -0.439 5.616 1.00 15.00 C ATOM 495 CD PRO A 508 -7.257 -0.968 4.501 1.00 15.00 C ATOM 0 HA PRO A 508 -8.290 -2.332 7.268 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -7.715 0.563 6.987 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -6.696 -0.655 7.728 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -6.043 0.562 5.385 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -5.533 -1.070 5.771 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -7.792 -0.171 3.985 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.663 -1.490 3.751 1.00 15.00 H new ATOM 503 N ARG A 509 -9.895 0.386 6.441 1.00 15.00 N ATOM 504 CA ARG A 509 -11.141 1.127 6.630 1.00 15.00 C ATOM 505 C ARG A 509 -11.578 1.106 8.095 1.00 15.00 C ATOM 506 O ARG A 509 -11.159 2.004 8.851 1.00 15.00 O ATOM 507 CB ARG A 509 -12.237 0.564 5.717 1.00 15.00 C ATOM 508 CG ARG A 509 -13.601 1.202 5.916 1.00 15.00 C ATOM 509 CD ARG A 509 -14.620 0.629 4.947 1.00 15.00 C ATOM 510 NE ARG A 509 -14.577 -0.832 4.916 1.00 15.00 N ATOM 511 CZ ARG A 509 -15.428 -1.591 4.232 1.00 15.00 C ATOM 512 NH1 ARG A 509 -16.458 -1.044 3.592 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -15.254 -2.906 4.209 1.00 15.00 N ATOM 0 H ARG A 509 -9.156 0.929 5.996 1.00 15.00 H new ATOM 0 HA ARG A 509 -10.967 2.168 6.356 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -11.934 0.698 4.679 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -12.322 -0.509 5.889 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -13.936 1.038 6.940 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -13.526 2.280 5.774 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -15.619 0.957 5.234 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -14.431 1.020 3.947 1.00 15.00 H new ATOM 0 HE ARG A 509 -13.847 -1.299 5.454 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -16.600 -0.034 3.623 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -17.106 -1.634 3.070 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -14.473 -3.326 4.713 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -15.901 -3.497 3.687 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -4.484 -11.743 1.917 1.00 15.00 N ATOM 529 CA ARG B 925 -3.245 -12.170 1.235 1.00 15.00 C ATOM 530 C ARG B 925 -2.107 -12.273 2.247 1.00 15.00 C ATOM 531 O ARG B 925 -2.020 -11.469 3.175 1.00 15.00 O ATOM 532 CB ARG B 925 -2.897 -11.168 0.125 1.00 15.00 C ATOM 533 CG ARG B 925 -2.174 -11.781 -1.067 1.00 15.00 C ATOM 534 CD ARG B 925 -0.715 -12.080 -0.768 1.00 15.00 C ATOM 535 NE ARG B 925 -0.095 -12.873 -1.827 1.00 15.00 N ATOM 536 CZ ARG B 925 1.211 -13.132 -1.902 1.00 15.00 C ATOM 537 NH1 ARG B 925 2.051 -12.617 -1.006 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 1.676 -13.906 -2.875 1.00 15.00 N ATOM 0 HA ARG B 925 -3.395 -13.151 0.784 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -3.816 -10.697 -0.225 1.00 15.00 H new ATOM 0 HB3 ARG B 925 -2.275 -10.378 0.546 1.00 15.00 H new ATOM 0 HG2 ARG B 925 -2.678 -12.702 -1.360 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -2.236 -11.100 -1.916 1.00 15.00 H new ATOM 0 HD2 ARG B 925 -0.169 -11.144 -0.648 1.00 15.00 H new ATOM 0 HD3 ARG B 925 -0.640 -12.616 0.178 1.00 15.00 H new ATOM 0 HE ARG B 925 -0.700 -13.253 -2.555 1.00 15.00 H new ATOM 0 HH11 ARG B 925 1.696 -12.021 -0.258 1.00 15.00 H new ATOM 0 HH12 ARG B 925 3.049 -12.818 -1.068 1.00 15.00 H new ATOM 0 HH21 ARG B 925 1.035 -14.301 -3.563 1.00 15.00 H new ATOM 0 HH22 ARG B 925 2.674 -14.106 -2.935 1.00 15.00 H new ATOM 554 N LEU B 926 -1.240 -13.264 2.048 1.00 15.00 N ATOM 555 CA LEU B 926 -0.076 -13.481 2.908 1.00 15.00 C ATOM 556 C LEU B 926 0.876 -12.274 2.864 1.00 15.00 C ATOM 557 O LEU B 926 0.635 -11.316 2.132 1.00 15.00 O ATOM 558 CB LEU B 926 0.648 -14.761 2.469 1.00 15.00 C ATOM 559 CG LEU B 926 1.739 -15.267 3.416 1.00 15.00 C ATOM 560 CD1 LEU B 926 1.156 -15.582 4.785 1.00 15.00 C ATOM 561 CD2 LEU B 926 2.422 -16.490 2.831 1.00 15.00 C ATOM 0 H LEU B 926 -1.323 -13.939 1.288 1.00 15.00 H new ATOM 0 HA LEU B 926 -0.413 -13.594 3.938 1.00 15.00 H new ATOM 0 HB2 LEU B 926 -0.093 -15.550 2.344 1.00 15.00 H new ATOM 0 HB3 LEU B 926 1.095 -14.586 1.491 1.00 15.00 H new ATOM 0 HG LEU B 926 2.484 -14.480 3.536 1.00 15.00 H new ATOM 0 HD11 LEU B 926 1.947 -15.940 5.444 1.00 15.00 H new ATOM 0 HD12 LEU B 926 0.712 -14.681 5.208 1.00 15.00 H new ATOM 0 HD13 LEU B 926 0.390 -16.351 4.686 1.00 15.00 H new ATOM 0 HD21 LEU B 926 3.195 -16.838 3.516 1.00 15.00 H new ATOM 0 HD22 LEU B 926 1.687 -17.281 2.682 1.00 15.00 H new ATOM 0 HD23 LEU B 926 2.875 -16.231 1.874 1.00 15.00 H new ATOM 573 N ASP B 927 1.970 -12.356 3.623 1.00 15.00 N ATOM 574 CA ASP B 927 2.887 -11.230 3.833 1.00 15.00 C ATOM 575 C ASP B 927 3.296 -10.541 2.532 1.00 15.00 C ATOM 576 O ASP B 927 3.515 -11.181 1.501 1.00 15.00 O ATOM 577 CB ASP B 927 4.144 -11.696 4.575 1.00 15.00 C ATOM 578 CG ASP B 927 3.861 -12.106 6.005 1.00 15.00 C ATOM 579 OD1 ASP B 927 3.522 -11.227 6.828 1.00 15.00 O ATOM 580 OD2 ASP B 927 3.991 -13.309 6.320 1.00 15.00 O1- ATOM 0 H ASP B 927 2.248 -13.207 4.112 1.00 15.00 H new ATOM 0 HA ASP B 927 2.343 -10.501 4.433 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.585 -12.537 4.041 1.00 15.00 H new ATOM 0 HB3 ASP B 927 4.882 -10.894 4.571 1.00 15.00 H new ATOM 585 N LEU B 928 3.415 -9.226 2.621 1.00 15.00 N ATOM 586 CA LEU B 928 3.742 -8.376 1.486 1.00 15.00 C ATOM 587 C LEU B 928 5.257 -8.186 1.406 1.00 15.00 C ATOM 588 O LEU B 928 5.925 -8.156 2.439 1.00 15.00 O ATOM 589 CB LEU B 928 3.028 -7.031 1.687 1.00 15.00 C ATOM 590 CG LEU B 928 2.847 -6.160 0.442 1.00 15.00 C ATOM 591 CD1 LEU B 928 1.545 -5.387 0.542 1.00 15.00 C ATOM 592 CD2 LEU B 928 4.009 -5.193 0.281 1.00 15.00 C ATOM 0 H LEU B 928 3.286 -8.713 3.493 1.00 15.00 H new ATOM 0 HA LEU B 928 3.414 -8.829 0.551 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.044 -7.228 2.111 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.585 -6.456 2.427 1.00 15.00 H new ATOM 0 HG LEU B 928 2.819 -6.811 -0.432 1.00 15.00 H new ATOM 0 HD11 LEU B 928 1.420 -4.768 -0.347 1.00 15.00 H new ATOM 0 HD12 LEU B 928 0.712 -6.086 0.618 1.00 15.00 H new ATOM 0 HD13 LEU B 928 1.566 -4.751 1.427 1.00 15.00 H new ATOM 0 HD21 LEU B 928 3.856 -4.586 -0.611 1.00 15.00 H new ATOM 0 HD22 LEU B 928 4.067 -4.545 1.156 1.00 15.00 H new ATOM 0 HD23 LEU B 928 4.938 -5.754 0.183 1.00 15.00 H new ATOM 604 N PRO B 929 5.821 -8.051 0.186 1.00 15.00 N ATOM 605 CA PRO B 929 7.268 -7.844 0.005 1.00 15.00 C ATOM 606 C PRO B 929 7.771 -6.610 0.755 1.00 15.00 C ATOM 607 O PRO B 929 7.026 -5.643 0.935 1.00 15.00 O ATOM 608 CB PRO B 929 7.419 -7.630 -1.508 1.00 15.00 C ATOM 609 CG PRO B 929 6.195 -8.212 -2.122 1.00 15.00 C ATOM 610 CD PRO B 929 5.101 -8.064 -1.104 1.00 15.00 C ATOM 0 HA PRO B 929 7.846 -8.683 0.392 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.510 -6.570 -1.746 1.00 15.00 H new ATOM 0 HB3 PRO B 929 8.317 -8.120 -1.885 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.939 -7.693 -3.046 1.00 15.00 H new ATOM 0 HG3 PRO B 929 6.349 -9.260 -2.377 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.535 -7.145 -1.256 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.390 -8.889 -1.157 1.00 15.00 H new ATOM 618 N PRO B 930 9.040 -6.624 1.204 1.00 15.00 N ATOM 619 CA PRO B 930 9.662 -5.465 1.860 1.00 15.00 C ATOM 620 C PRO B 930 9.450 -4.188 1.053 1.00 15.00 C ATOM 621 O PRO B 930 9.671 -4.170 -0.159 1.00 15.00 O ATOM 622 CB PRO B 930 11.142 -5.840 1.903 1.00 15.00 C ATOM 623 CG PRO B 930 11.150 -7.330 1.929 1.00 15.00 C ATOM 624 CD PRO B 930 9.966 -7.768 1.112 1.00 15.00 C ATOM 0 HA PRO B 930 9.239 -5.261 2.844 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.674 -5.456 1.033 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.631 -5.425 2.784 1.00 15.00 H new ATOM 0 HG2 PRO B 930 12.078 -7.722 1.512 1.00 15.00 H new ATOM 0 HG3 PRO B 930 11.077 -7.702 2.951 1.00 15.00 H new ATOM 0 HD2 PRO B 930 10.246 -7.975 0.079 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.519 -8.679 1.510 1.00 15.00 H new ATOM 632 N TYR B 931 9.017 -3.128 1.728 1.00 15.00 N ATOM 633 CA TYR B 931 8.616 -1.906 1.044 1.00 15.00 C ATOM 634 C TYR B 931 9.803 -1.264 0.325 1.00 15.00 C ATOM 635 O TYR B 931 10.803 -0.886 0.939 1.00 15.00 O ATOM 636 CB TYR B 931 7.990 -0.946 2.082 1.00 15.00 C ATOM 637 CG TYR B 931 7.634 0.453 1.594 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.357 0.727 0.259 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.566 1.508 2.499 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.030 2.005 -0.156 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.236 2.784 2.094 1.00 15.00 C ATOM 642 CZ TYR B 931 6.971 3.030 0.765 1.00 15.00 C ATOM 643 OH TYR B 931 6.647 4.304 0.355 1.00 15.00 O ATOM 0 H TYR B 931 8.935 -3.091 2.744 1.00 15.00 H new ATOM 0 HA TYR B 931 7.877 -2.137 0.277 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.085 -1.411 2.472 1.00 15.00 H new ATOM 0 HB3 TYR B 931 8.684 -0.849 2.917 1.00 15.00 H new ATOM 0 HD1 TYR B 931 7.398 -0.072 -0.466 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.776 1.323 3.542 1.00 15.00 H new ATOM 0 HE1 TYR B 931 6.822 2.200 -1.198 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.186 3.586 2.815 1.00 15.00 H new ATOM 0 HH TYR B 931 6.648 4.907 1.128 1.00 15.00 H new ATOM 653 N GLU B 932 9.662 -1.152 -0.987 1.00 15.00 N ATOM 654 CA GLU B 932 10.581 -0.400 -1.827 1.00 15.00 C ATOM 655 C GLU B 932 9.851 0.846 -2.294 1.00 15.00 C ATOM 656 O GLU B 932 8.726 0.743 -2.786 1.00 15.00 O ATOM 657 CB GLU B 932 11.018 -1.237 -3.033 1.00 15.00 C ATOM 658 CG GLU B 932 11.610 -2.593 -2.676 1.00 15.00 C ATOM 659 CD GLU B 932 12.901 -2.495 -1.888 1.00 15.00 C ATOM 660 OE1 GLU B 932 13.929 -2.088 -2.470 1.00 15.00 O1- ATOM 661 OE2 GLU B 932 12.902 -2.849 -0.694 1.00 15.00 O ATOM 0 H GLU B 932 8.897 -1.586 -1.504 1.00 15.00 H new ATOM 0 HA GLU B 932 11.478 -0.137 -1.266 1.00 15.00 H new ATOM 0 HB2 GLU B 932 10.158 -1.390 -3.685 1.00 15.00 H new ATOM 0 HB3 GLU B 932 11.754 -0.672 -3.605 1.00 15.00 H new ATOM 0 HG2 GLU B 932 10.881 -3.159 -2.096 1.00 15.00 H new ATOM 0 HG3 GLU B 932 11.793 -3.154 -3.592 1.00 15.00 H new ATOM 668 N THR B 933 10.451 2.012 -2.154 1.00 15.00 N ATOM 669 CA THR B 933 9.716 3.230 -2.428 1.00 15.00 C ATOM 670 C THR B 933 9.526 3.459 -3.923 1.00 15.00 C ATOM 671 O THR B 933 10.481 3.577 -4.690 1.00 15.00 O ATOM 672 CB THR B 933 10.371 4.467 -1.795 1.00 15.00 C ATOM 673 OG1 THR B 933 10.709 4.182 -0.430 1.00 15.00 O ATOM 674 CG2 THR B 933 9.417 5.658 -1.846 1.00 15.00 C ATOM 0 H THR B 933 11.419 2.141 -1.860 1.00 15.00 H new ATOM 0 HA THR B 933 8.737 3.091 -1.969 1.00 15.00 H new ATOM 0 HB THR B 933 11.273 4.715 -2.355 1.00 15.00 H new ATOM 0 HG1 THR B 933 11.129 4.970 -0.026 1.00 15.00 H new ATOM 0 HG21 THR B 933 9.895 6.527 -1.394 1.00 15.00 H new ATOM 0 HG22 THR B 933 9.167 5.880 -2.884 1.00 15.00 H new ATOM 0 HG23 THR B 933 8.506 5.418 -1.297 1.00 15.00 H new ATOM 682 N PHE B 934 8.267 3.506 -4.303 1.00 15.00 N ATOM 683 CA PHE B 934 7.837 3.872 -5.640 1.00 15.00 C ATOM 684 C PHE B 934 7.675 5.396 -5.688 1.00 15.00 C ATOM 685 O PHE B 934 8.011 6.071 -4.712 1.00 15.00 O ATOM 686 CB PHE B 934 6.532 3.153 -6.006 1.00 15.00 C ATOM 687 CG PHE B 934 5.348 3.697 -5.278 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.067 3.317 -3.978 1.00 15.00 C ATOM 689 CD2 PHE B 934 4.543 4.634 -5.889 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.004 3.872 -3.306 1.00 15.00 C ATOM 691 CE2 PHE B 934 3.475 5.182 -5.226 1.00 15.00 C ATOM 692 CZ PHE B 934 3.211 4.804 -3.932 1.00 15.00 C ATOM 0 H PHE B 934 7.493 3.286 -3.676 1.00 15.00 H new ATOM 0 HA PHE B 934 8.581 3.564 -6.374 1.00 15.00 H new ATOM 0 HB2 PHE B 934 6.364 3.239 -7.079 1.00 15.00 H new ATOM 0 HB3 PHE B 934 6.633 2.091 -5.783 1.00 15.00 H new ATOM 0 HD1 PHE B 934 5.686 2.580 -3.488 1.00 15.00 H new ATOM 0 HD2 PHE B 934 4.756 4.940 -6.902 1.00 15.00 H new ATOM 0 HE1 PHE B 934 3.792 3.577 -2.289 1.00 15.00 H new ATOM 0 HE2 PHE B 934 2.844 5.907 -5.719 1.00 15.00 H new ATOM 0 HZ PHE B 934 2.376 5.241 -3.404 1.00 15.00 H new ATOM 702 N GLU B 935 7.263 5.937 -6.833 1.00 15.00 N ATOM 703 CA GLU B 935 7.099 7.386 -7.009 1.00 15.00 C ATOM 704 C GLU B 935 6.307 8.047 -5.867 1.00 15.00 C ATOM 705 O GLU B 935 5.691 7.377 -5.037 1.00 15.00 O ATOM 706 CB GLU B 935 6.376 7.668 -8.328 1.00 15.00 C ATOM 707 CG GLU B 935 4.915 7.219 -8.347 1.00 15.00 C ATOM 708 CD GLU B 935 4.651 6.141 -9.375 1.00 15.00 C ATOM 709 OE1 GLU B 935 4.366 6.489 -10.543 1.00 15.00 O ATOM 710 OE2 GLU B 935 4.711 4.946 -9.025 1.00 15.00 O1- ATOM 0 H GLU B 935 7.034 5.390 -7.663 1.00 15.00 H new ATOM 0 HA GLU B 935 8.102 7.813 -7.009 1.00 15.00 H new ATOM 0 HB2 GLU B 935 6.419 8.738 -8.532 1.00 15.00 H new ATOM 0 HB3 GLU B 935 6.909 7.168 -9.136 1.00 15.00 H new ATOM 0 HG2 GLU B 935 4.640 6.849 -7.359 1.00 15.00 H new ATOM 0 HG3 GLU B 935 4.277 8.078 -8.555 1.00 15.00 H new ATOM 717 N ASP B 936 6.320 9.378 -5.862 1.00 15.00 N ATOM 718 CA ASP B 936 5.686 10.175 -4.809 1.00 15.00 C ATOM 719 C ASP B 936 4.211 9.822 -4.638 1.00 15.00 C ATOM 720 O ASP B 936 3.538 9.446 -5.601 1.00 15.00 O ATOM 721 CB ASP B 936 5.806 11.668 -5.127 1.00 15.00 C ATOM 722 CG ASP B 936 7.241 12.134 -5.245 1.00 15.00 C ATOM 723 OD1 ASP B 936 7.864 12.451 -4.207 1.00 15.00 O ATOM 724 OD2 ASP B 936 7.750 12.200 -6.383 1.00 15.00 O1- ATOM 0 H ASP B 936 6.770 9.937 -6.587 1.00 15.00 H new ATOM 0 HA ASP B 936 6.206 9.947 -3.879 1.00 15.00 H new ATOM 0 HB2 ASP B 936 5.284 11.878 -6.060 1.00 15.00 H new ATOM 0 HB3 ASP B 936 5.307 12.241 -4.346 1.00 15.00 H new ATOM 729 N LEU B 937 3.716 10.016 -3.414 1.00 15.00 N ATOM 730 CA LEU B 937 2.339 9.689 -3.033 1.00 15.00 C ATOM 731 C LEU B 937 1.333 10.252 -4.038 1.00 15.00 C ATOM 732 O LEU B 937 1.129 11.464 -4.126 1.00 15.00 O ATOM 733 CB LEU B 937 2.068 10.237 -1.619 1.00 15.00 C ATOM 734 CG LEU B 937 0.754 9.807 -0.949 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.883 9.909 0.561 1.00 15.00 C ATOM 736 CD2 LEU B 937 -0.413 10.663 -1.419 1.00 15.00 C ATOM 0 H LEU B 937 4.266 10.409 -2.650 1.00 15.00 H new ATOM 0 HA LEU B 937 2.218 8.606 -3.034 1.00 15.00 H new ATOM 0 HB2 LEU B 937 2.893 9.935 -0.974 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.084 11.326 -1.668 1.00 15.00 H new ATOM 0 HG LEU B 937 0.557 8.773 -1.232 1.00 15.00 H new ATOM 0 HD11 LEU B 937 -0.053 9.602 1.028 1.00 15.00 H new ATOM 0 HD12 LEU B 937 1.689 9.259 0.902 1.00 15.00 H new ATOM 0 HD13 LEU B 937 1.106 10.939 0.838 1.00 15.00 H new ATOM 0 HD21 LEU B 937 -1.328 10.333 -0.926 1.00 15.00 H new ATOM 0 HD22 LEU B 937 -0.222 11.707 -1.169 1.00 15.00 H new ATOM 0 HD23 LEU B 937 -0.526 10.563 -2.499 1.00 15.00 H new HETATM 748 N NH2 B 938 0.714 9.369 -4.808 1.00 15.00 N TER 751 NH2 B 938