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 500 THR OG1 : rot -80:sc= 0.472! USER MOD Set 1.2: A 502 THR OG1 : rot -69:sc= 0.755 USER MOD Single : A 485 MET CE :methyl -117:sc= -3.39 (180deg=-5.81!) USER MOD Single : A 490 ASN : amide:sc= -0.688 K(o=-0.69,f=-6.2!) USER MOD Single : A 498 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-8.5!) USER MOD Single : A 499 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 501 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0413) USER MOD Single : A 503 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 504 THR OG1 : rot 154:sc= -0.162 USER MOD Single : B 931 TYR OH : rot 180:sc= 0 USER MOD Single : B 933 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 478 -12.318 7.614 -0.389 1.00 15.00 N ATOM 2 CA PHE A 478 -12.207 6.149 -0.201 1.00 15.00 C ATOM 3 C PHE A 478 -10.851 5.776 0.382 1.00 15.00 C ATOM 4 O PHE A 478 -10.695 4.720 0.997 1.00 15.00 O ATOM 5 CB PHE A 478 -12.424 5.406 -1.529 1.00 15.00 C ATOM 6 CG PHE A 478 -11.433 5.754 -2.611 1.00 15.00 C ATOM 7 CD1 PHE A 478 -11.631 6.854 -3.430 1.00 15.00 C ATOM 8 CD2 PHE A 478 -10.305 4.972 -2.810 1.00 15.00 C ATOM 9 CE1 PHE A 478 -10.723 7.168 -4.424 1.00 15.00 C ATOM 10 CE2 PHE A 478 -9.396 5.282 -3.801 1.00 15.00 C ATOM 11 CZ PHE A 478 -9.605 6.381 -4.610 1.00 15.00 C ATOM 0 HA PHE A 478 -12.985 5.848 0.500 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -12.377 4.333 -1.342 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -13.429 5.622 -1.891 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -12.505 7.473 -3.290 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -10.136 4.110 -2.182 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -10.889 8.029 -5.055 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -8.521 4.665 -3.944 1.00 15.00 H new ATOM 0 HZ PHE A 478 -8.895 6.624 -5.387 1.00 15.00 H new ATOM 21 N LEU A 479 -9.862 6.627 0.156 1.00 15.00 N ATOM 22 CA LEU A 479 -8.514 6.364 0.619 1.00 15.00 C ATOM 23 C LEU A 479 -8.151 7.341 1.729 1.00 15.00 C ATOM 24 O LEU A 479 -8.078 8.547 1.497 1.00 15.00 O ATOM 25 CB LEU A 479 -7.535 6.492 -0.547 1.00 15.00 C ATOM 26 CG LEU A 479 -6.288 5.608 -0.472 1.00 15.00 C ATOM 27 CD1 LEU A 479 -6.669 4.136 -0.600 1.00 15.00 C ATOM 28 CD2 LEU A 479 -5.322 5.997 -1.580 1.00 15.00 C ATOM 0 H LEU A 479 -9.971 7.508 -0.347 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.457 5.350 1.014 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -8.067 6.260 -1.470 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.216 7.532 -0.616 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.806 5.755 0.495 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.770 3.521 -0.545 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -7.345 3.863 0.210 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -7.164 3.970 -1.557 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -4.434 5.367 -1.526 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.805 5.862 -2.548 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -5.034 7.041 -1.461 1.00 15.00 H new ATOM 40 N PRO A 480 -7.971 6.834 2.954 1.00 15.00 N ATOM 41 CA PRO A 480 -7.577 7.646 4.120 1.00 15.00 C ATOM 42 C PRO A 480 -6.328 8.504 3.863 1.00 15.00 C ATOM 43 O PRO A 480 -5.513 8.171 3.005 1.00 15.00 O ATOM 44 CB PRO A 480 -7.293 6.573 5.171 1.00 15.00 C ATOM 45 CG PRO A 480 -8.209 5.468 4.817 1.00 15.00 C ATOM 46 CD PRO A 480 -8.162 5.416 3.320 1.00 15.00 C ATOM 0 HA PRO A 480 -8.340 8.371 4.402 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -6.252 6.252 5.141 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.484 6.942 6.179 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -7.885 4.525 5.258 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -9.220 5.658 5.177 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -7.344 4.791 2.962 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -9.082 5.009 2.899 1.00 15.00 H new ATOM 54 N PRO A 481 -6.165 9.595 4.653 1.00 15.00 N ATOM 55 CA PRO A 481 -5.126 10.626 4.489 1.00 15.00 C ATOM 56 C PRO A 481 -3.832 10.162 3.812 1.00 15.00 C ATOM 57 O PRO A 481 -3.662 10.335 2.605 1.00 15.00 O ATOM 58 CB PRO A 481 -4.859 11.027 5.935 1.00 15.00 C ATOM 59 CG PRO A 481 -6.184 10.902 6.615 1.00 15.00 C ATOM 60 CD PRO A 481 -7.008 9.915 5.816 1.00 15.00 C ATOM 0 HA PRO A 481 -5.464 11.421 3.824 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -4.115 10.377 6.395 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -4.476 12.045 5.999 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -6.058 10.556 7.641 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -6.684 11.869 6.664 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -7.236 9.023 6.399 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.960 10.348 5.510 1.00 15.00 H new ATOM 68 N GLY A 482 -2.927 9.560 4.580 1.00 15.00 N ATOM 69 CA GLY A 482 -1.655 9.141 4.014 1.00 15.00 C ATOM 70 C GLY A 482 -1.666 7.708 3.568 1.00 15.00 C ATOM 71 O GLY A 482 -0.618 7.072 3.501 1.00 15.00 O ATOM 0 H GLY A 482 -3.049 9.357 5.572 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.411 9.780 3.165 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -0.868 9.281 4.755 1.00 15.00 H new ATOM 75 N TRP A 483 -2.841 7.194 3.275 1.00 15.00 N ATOM 76 CA TRP A 483 -2.950 5.864 2.725 1.00 15.00 C ATOM 77 C TRP A 483 -2.891 5.958 1.230 1.00 15.00 C ATOM 78 O TRP A 483 -3.536 6.810 0.627 1.00 15.00 O ATOM 79 CB TRP A 483 -4.245 5.180 3.144 1.00 15.00 C ATOM 80 CG TRP A 483 -4.217 4.691 4.548 1.00 15.00 C ATOM 81 CD1 TRP A 483 -4.384 5.441 5.663 1.00 15.00 C ATOM 82 CD2 TRP A 483 -4.009 3.347 4.983 1.00 15.00 C ATOM 83 NE1 TRP A 483 -4.302 4.649 6.782 1.00 15.00 N ATOM 84 CE2 TRP A 483 -4.069 3.354 6.387 1.00 15.00 C ATOM 85 CE3 TRP A 483 -3.778 2.137 4.321 1.00 15.00 C ATOM 86 CZ2 TRP A 483 -3.912 2.197 7.142 1.00 15.00 C ATOM 87 CZ3 TRP A 483 -3.620 0.988 5.072 1.00 15.00 C ATOM 88 CH2 TRP A 483 -3.688 1.024 6.470 1.00 15.00 C ATOM 0 H TRP A 483 -3.730 7.676 3.408 1.00 15.00 H new ATOM 0 HA TRP A 483 -2.125 5.263 3.108 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -5.073 5.879 3.025 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -4.438 4.340 2.477 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.557 6.507 5.671 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -4.398 4.969 7.746 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -3.724 2.101 3.243 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -3.965 2.222 8.220 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 -3.441 0.047 4.573 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -3.561 0.109 7.030 1.00 15.00 H new ATOM 99 N GLU A 484 -2.101 5.102 0.646 1.00 15.00 N ATOM 100 CA GLU A 484 -1.976 5.048 -0.782 1.00 15.00 C ATOM 101 C GLU A 484 -2.242 3.677 -1.293 1.00 15.00 C ATOM 102 O GLU A 484 -2.015 2.665 -0.638 1.00 15.00 O ATOM 103 CB GLU A 484 -0.636 5.487 -1.279 1.00 15.00 C ATOM 104 CG GLU A 484 0.484 4.723 -0.667 1.00 15.00 C ATOM 105 CD GLU A 484 1.703 4.717 -1.537 1.00 15.00 C ATOM 106 OE1 GLU A 484 2.321 5.787 -1.695 1.00 15.00 O ATOM 107 OE2 GLU A 484 2.043 3.645 -2.057 1.00 15.00 O1- ATOM 0 H GLU A 484 -1.527 4.423 1.146 1.00 15.00 H new ATOM 0 HA GLU A 484 -2.722 5.747 -1.160 1.00 15.00 H new ATOM 0 HB2 GLU A 484 -0.600 5.371 -2.362 1.00 15.00 H new ATOM 0 HB3 GLU A 484 -0.505 6.548 -1.067 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.732 5.158 0.301 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.165 3.697 -0.484 1.00 15.00 H new ATOM 114 N MET A 485 -2.716 3.694 -2.480 1.00 15.00 N ATOM 115 CA MET A 485 -3.169 2.496 -3.159 1.00 15.00 C ATOM 116 C MET A 485 -2.384 2.329 -4.456 1.00 15.00 C ATOM 117 O MET A 485 -2.644 3.027 -5.436 1.00 15.00 O ATOM 118 CB MET A 485 -4.674 2.592 -3.438 1.00 15.00 C ATOM 119 CG MET A 485 -5.284 1.304 -3.957 1.00 15.00 C ATOM 120 SD MET A 485 -6.939 1.529 -4.642 1.00 15.00 S ATOM 121 CE MET A 485 -7.864 1.992 -3.181 1.00 15.00 C ATOM 0 H MET A 485 -2.811 4.545 -3.035 1.00 15.00 H new ATOM 0 HA MET A 485 -2.997 1.624 -2.528 1.00 15.00 H new ATOM 0 HB2 MET A 485 -5.186 2.882 -2.521 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.849 3.385 -4.165 1.00 15.00 H new ATOM 0 HG2 MET A 485 -4.634 0.885 -4.725 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.329 0.578 -3.146 1.00 15.00 H new ATOM 0 HE1 MET A 485 -8.626 1.240 -2.979 1.00 15.00 H new ATOM 0 HE2 MET A 485 -7.188 2.061 -2.329 1.00 15.00 H new ATOM 0 HE3 MET A 485 -8.342 2.958 -3.344 1.00 15.00 H new ATOM 131 N ARG A 486 -1.395 1.440 -4.443 1.00 15.00 N ATOM 132 CA ARG A 486 -0.485 1.286 -5.578 1.00 15.00 C ATOM 133 C ARG A 486 -0.435 -0.155 -6.072 1.00 15.00 C ATOM 134 O ARG A 486 -0.592 -1.098 -5.296 1.00 15.00 O ATOM 135 CB ARG A 486 0.922 1.759 -5.198 1.00 15.00 C ATOM 136 CG ARG A 486 1.006 3.257 -4.965 1.00 15.00 C ATOM 137 CD ARG A 486 0.750 4.043 -6.245 1.00 15.00 C ATOM 138 NE ARG A 486 1.859 3.934 -7.195 1.00 15.00 N ATOM 139 CZ ARG A 486 1.716 3.650 -8.492 1.00 15.00 C ATOM 140 NH1 ARG A 486 0.511 3.400 -9.001 1.00 15.00 N1+ ATOM 141 NH2 ARG A 486 2.781 3.622 -9.283 1.00 15.00 N ATOM 0 H ARG A 486 -1.202 0.815 -3.661 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.867 1.903 -6.391 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.242 1.239 -4.295 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.618 1.481 -5.990 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.278 3.549 -4.208 1.00 15.00 H new ATOM 0 HG3 ARG A 486 1.992 3.510 -4.574 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.165 3.681 -6.714 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.588 5.092 -5.998 1.00 15.00 H new ATOM 0 HE ARG A 486 2.804 4.085 -6.842 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.312 3.425 -8.399 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.411 3.184 -9.993 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.706 3.817 -8.900 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.675 3.405 -10.274 1.00 15.00 H new ATOM 155 N ILE A 487 -0.186 -0.309 -7.366 1.00 15.00 N ATOM 156 CA ILE A 487 -0.168 -1.618 -8.004 1.00 15.00 C ATOM 157 C ILE A 487 1.260 -2.140 -8.177 1.00 15.00 C ATOM 158 O ILE A 487 2.153 -1.409 -8.601 1.00 15.00 O ATOM 159 CB ILE A 487 -0.864 -1.563 -9.388 1.00 15.00 C ATOM 160 CG1 ILE A 487 -2.344 -1.214 -9.229 1.00 15.00 C ATOM 161 CG2 ILE A 487 -0.712 -2.885 -10.132 1.00 15.00 C ATOM 162 CD1 ILE A 487 -3.139 -2.277 -8.503 1.00 15.00 C ATOM 0 H ILE A 487 0.008 0.466 -8.000 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.711 -2.301 -7.351 1.00 15.00 H new ATOM 0 HB ILE A 487 -0.379 -0.784 -9.976 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -2.431 -0.272 -8.687 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -2.780 -1.055 -10.215 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -1.210 -2.817 -11.099 1.00 15.00 H new ATOM 0 HG22 ILE A 487 0.346 -3.098 -10.283 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.164 -3.686 -9.547 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -4.180 -1.964 -8.426 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.082 -3.215 -9.056 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.728 -2.420 -7.504 1.00 15.00 H new ATOM 174 N ALA A 488 1.456 -3.405 -7.836 1.00 15.00 N ATOM 175 CA ALA A 488 2.707 -4.099 -8.092 1.00 15.00 C ATOM 176 C ALA A 488 2.643 -4.757 -9.466 1.00 15.00 C ATOM 177 O ALA A 488 1.561 -5.138 -9.908 1.00 15.00 O ATOM 178 CB ALA A 488 2.965 -5.137 -7.005 1.00 15.00 C ATOM 0 H ALA A 488 0.751 -3.979 -7.374 1.00 15.00 H new ATOM 0 HA ALA A 488 3.531 -3.386 -8.078 1.00 15.00 H new ATOM 0 HB1 ALA A 488 3.905 -5.650 -7.208 1.00 15.00 H new ATOM 0 HB2 ALA A 488 3.024 -4.642 -6.036 1.00 15.00 H new ATOM 0 HB3 ALA A 488 2.151 -5.862 -6.993 1.00 15.00 H new ATOM 184 N PRO A 489 3.790 -4.906 -10.158 1.00 15.00 N ATOM 185 CA PRO A 489 3.841 -5.402 -11.552 1.00 15.00 C ATOM 186 C PRO A 489 3.264 -6.809 -11.738 1.00 15.00 C ATOM 187 O PRO A 489 3.186 -7.312 -12.859 1.00 15.00 O ATOM 188 CB PRO A 489 5.338 -5.402 -11.882 1.00 15.00 C ATOM 189 CG PRO A 489 6.026 -5.388 -10.562 1.00 15.00 C ATOM 190 CD PRO A 489 5.137 -4.598 -9.649 1.00 15.00 C ATOM 0 HA PRO A 489 3.232 -4.774 -12.203 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.614 -6.283 -12.461 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.610 -4.531 -12.478 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.172 -6.401 -10.186 1.00 15.00 H new ATOM 0 HG3 PRO A 489 7.013 -4.931 -10.640 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.255 -4.900 -8.608 1.00 15.00 H new ATOM 0 HD3 PRO A 489 5.353 -3.531 -9.697 1.00 15.00 H new ATOM 198 N ASN A 490 2.872 -7.440 -10.644 1.00 15.00 N ATOM 199 CA ASN A 490 2.269 -8.766 -10.694 1.00 15.00 C ATOM 200 C ASN A 490 0.743 -8.648 -10.603 1.00 15.00 C ATOM 201 O ASN A 490 0.021 -9.643 -10.599 1.00 15.00 O ATOM 202 CB ASN A 490 2.834 -9.623 -9.551 1.00 15.00 C ATOM 203 CG ASN A 490 2.495 -11.100 -9.669 1.00 15.00 C ATOM 204 OD1 ASN A 490 1.517 -11.577 -9.093 1.00 15.00 O ATOM 205 ND2 ASN A 490 3.313 -11.837 -10.404 1.00 15.00 N ATOM 0 H ASN A 490 2.960 -7.054 -9.704 1.00 15.00 H new ATOM 0 HA ASN A 490 2.510 -9.250 -11.640 1.00 15.00 H new ATOM 0 HB2 ASN A 490 3.918 -9.509 -9.525 1.00 15.00 H new ATOM 0 HB3 ASN A 490 2.451 -9.246 -8.603 1.00 15.00 H new ATOM 0 HD21 ASN A 490 3.143 -12.837 -10.509 1.00 15.00 H new ATOM 0 HD22 ASN A 490 4.113 -11.405 -10.866 1.00 15.00 H new ATOM 212 N GLY A 491 0.259 -7.408 -10.549 1.00 15.00 N ATOM 213 CA GLY A 491 -1.168 -7.159 -10.436 1.00 15.00 C ATOM 214 C GLY A 491 -1.619 -7.142 -8.992 1.00 15.00 C ATOM 215 O GLY A 491 -2.729 -7.563 -8.668 1.00 15.00 O ATOM 0 H GLY A 491 0.835 -6.567 -10.582 1.00 15.00 H new ATOM 0 HA2 GLY A 491 -1.409 -6.205 -10.904 1.00 15.00 H new ATOM 0 HA3 GLY A 491 -1.716 -7.928 -10.980 1.00 15.00 H new ATOM 219 N ARG A 492 -0.749 -6.657 -8.118 1.00 15.00 N ATOM 220 CA ARG A 492 -0.996 -6.711 -6.682 1.00 15.00 C ATOM 221 C ARG A 492 -1.153 -5.298 -6.118 1.00 15.00 C ATOM 222 O ARG A 492 -0.206 -4.523 -6.146 1.00 15.00 O ATOM 223 CB ARG A 492 0.176 -7.401 -5.975 1.00 15.00 C ATOM 224 CG ARG A 492 0.833 -8.520 -6.772 1.00 15.00 C ATOM 225 CD ARG A 492 0.041 -9.827 -6.730 1.00 15.00 C ATOM 226 NE ARG A 492 -1.311 -9.703 -7.279 1.00 15.00 N ATOM 227 CZ ARG A 492 -1.938 -10.671 -7.957 1.00 15.00 C ATOM 228 NH1 ARG A 492 -1.298 -11.787 -8.282 1.00 15.00 N1+ ATOM 229 NH2 ARG A 492 -3.196 -10.498 -8.346 1.00 15.00 N ATOM 0 H ARG A 492 0.136 -6.221 -8.377 1.00 15.00 H new ATOM 0 HA ARG A 492 -1.913 -7.275 -6.511 1.00 15.00 H new ATOM 0 HB2 ARG A 492 0.931 -6.651 -5.738 1.00 15.00 H new ATOM 0 HB3 ARG A 492 -0.178 -7.808 -5.028 1.00 15.00 H new ATOM 0 HG2 ARG A 492 0.945 -8.203 -7.809 1.00 15.00 H new ATOM 0 HG3 ARG A 492 1.836 -8.696 -6.382 1.00 15.00 H new ATOM 0 HD2 ARG A 492 0.583 -10.591 -7.288 1.00 15.00 H new ATOM 0 HD3 ARG A 492 -0.024 -10.172 -5.698 1.00 15.00 H new ATOM 0 HE ARG A 492 -1.806 -8.823 -7.135 1.00 15.00 H new ATOM 0 HH11 ARG A 492 -0.321 -11.911 -8.015 1.00 15.00 H new ATOM 0 HH12 ARG A 492 -1.783 -12.521 -8.799 1.00 15.00 H new ATOM 0 HH21 ARG A 492 -3.682 -9.628 -8.128 1.00 15.00 H new ATOM 0 HH22 ARG A 492 -3.676 -11.235 -8.863 1.00 15.00 H new ATOM 243 N PRO A 493 -2.338 -4.930 -5.615 1.00 15.00 N ATOM 244 CA PRO A 493 -2.561 -3.614 -5.025 1.00 15.00 C ATOM 245 C PRO A 493 -2.268 -3.586 -3.525 1.00 15.00 C ATOM 246 O PRO A 493 -2.930 -4.274 -2.745 1.00 15.00 O ATOM 247 CB PRO A 493 -4.056 -3.362 -5.273 1.00 15.00 C ATOM 248 CG PRO A 493 -4.639 -4.667 -5.743 1.00 15.00 C ATOM 249 CD PRO A 493 -3.569 -5.719 -5.607 1.00 15.00 C ATOM 0 HA PRO A 493 -1.903 -2.861 -5.460 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -4.548 -3.023 -4.361 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -4.199 -2.582 -6.021 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -5.514 -4.932 -5.149 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -4.969 -4.588 -6.779 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -3.678 -6.290 -4.685 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -3.597 -6.434 -6.430 1.00 15.00 H new ATOM 257 N PHE A 494 -1.267 -2.806 -3.128 1.00 15.00 N ATOM 258 CA PHE A 494 -0.932 -2.664 -1.716 1.00 15.00 C ATOM 259 C PHE A 494 -1.232 -1.263 -1.216 1.00 15.00 C ATOM 260 O PHE A 494 -1.086 -0.278 -1.946 1.00 15.00 O ATOM 261 CB PHE A 494 0.534 -3.036 -1.418 1.00 15.00 C ATOM 262 CG PHE A 494 1.587 -2.412 -2.303 1.00 15.00 C ATOM 263 CD1 PHE A 494 1.933 -1.070 -2.190 1.00 15.00 C ATOM 264 CD2 PHE A 494 2.267 -3.195 -3.219 1.00 15.00 C ATOM 265 CE1 PHE A 494 2.934 -0.528 -2.982 1.00 15.00 C ATOM 266 CE2 PHE A 494 3.260 -2.662 -4.013 1.00 15.00 C ATOM 267 CZ PHE A 494 3.597 -1.327 -3.894 1.00 15.00 C ATOM 0 H PHE A 494 -0.677 -2.266 -3.761 1.00 15.00 H new ATOM 0 HA PHE A 494 -1.564 -3.370 -1.178 1.00 15.00 H new ATOM 0 HB2 PHE A 494 0.751 -2.762 -0.386 1.00 15.00 H new ATOM 0 HB3 PHE A 494 0.631 -4.120 -1.487 1.00 15.00 H new ATOM 0 HD1 PHE A 494 1.417 -0.443 -1.478 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.016 -4.241 -3.314 1.00 15.00 H new ATOM 0 HE1 PHE A 494 3.195 0.516 -2.886 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.774 -3.287 -4.728 1.00 15.00 H new ATOM 0 HZ PHE A 494 4.377 -0.909 -4.513 1.00 15.00 H new ATOM 277 N PHE A 495 -1.650 -1.189 0.036 1.00 15.00 N ATOM 278 CA PHE A 495 -1.941 0.071 0.682 1.00 15.00 C ATOM 279 C PHE A 495 -0.781 0.471 1.586 1.00 15.00 C ATOM 280 O PHE A 495 -0.440 -0.247 2.526 1.00 15.00 O ATOM 281 CB PHE A 495 -3.228 -0.041 1.507 1.00 15.00 C ATOM 282 CG PHE A 495 -4.410 -0.548 0.730 1.00 15.00 C ATOM 283 CD1 PHE A 495 -5.183 0.319 -0.026 1.00 15.00 C ATOM 284 CD2 PHE A 495 -4.754 -1.890 0.761 1.00 15.00 C ATOM 285 CE1 PHE A 495 -6.273 -0.142 -0.735 1.00 15.00 C ATOM 286 CE2 PHE A 495 -5.844 -2.359 0.053 1.00 15.00 C ATOM 287 CZ PHE A 495 -6.606 -1.484 -0.697 1.00 15.00 C ATOM 0 H PHE A 495 -1.796 -2.005 0.631 1.00 15.00 H new ATOM 0 HA PHE A 495 -2.078 0.834 -0.084 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -3.049 -0.706 2.352 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -3.470 0.939 1.919 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -4.929 1.368 -0.061 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -4.162 -2.578 1.346 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -6.866 0.545 -1.320 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -6.100 -3.408 0.086 1.00 15.00 H new ATOM 0 HZ PHE A 495 -7.459 -1.847 -1.252 1.00 15.00 H new ATOM 297 N ILE A 496 -0.153 1.594 1.276 1.00 15.00 N ATOM 298 CA ILE A 496 0.908 2.122 2.119 1.00 15.00 C ATOM 299 C ILE A 496 0.398 3.319 2.906 1.00 15.00 C ATOM 300 O ILE A 496 0.009 4.328 2.320 1.00 15.00 O ATOM 301 CB ILE A 496 2.155 2.570 1.310 1.00 15.00 C ATOM 302 CG1 ILE A 496 2.651 1.459 0.372 1.00 15.00 C ATOM 303 CG2 ILE A 496 3.265 2.999 2.263 1.00 15.00 C ATOM 304 CD1 ILE A 496 4.026 1.718 -0.209 1.00 15.00 C ATOM 0 H ILE A 496 -0.358 2.156 0.450 1.00 15.00 H new ATOM 0 HA ILE A 496 1.206 1.311 2.783 1.00 15.00 H new ATOM 0 HB ILE A 496 1.867 3.418 0.688 1.00 15.00 H new ATOM 0 HG12 ILE A 496 2.669 0.516 0.919 1.00 15.00 H new ATOM 0 HG13 ILE A 496 1.938 1.340 -0.444 1.00 15.00 H new ATOM 0 HG21 ILE A 496 4.137 3.312 1.689 1.00 15.00 H new ATOM 0 HG22 ILE A 496 2.917 3.830 2.876 1.00 15.00 H new ATOM 0 HG23 ILE A 496 3.536 2.162 2.906 1.00 15.00 H new ATOM 0 HD11 ILE A 496 4.308 0.891 -0.860 1.00 15.00 H new ATOM 0 HD12 ILE A 496 4.009 2.644 -0.785 1.00 15.00 H new ATOM 0 HD13 ILE A 496 4.752 1.806 0.599 1.00 15.00 H new ATOM 316 N ASP A 497 0.376 3.216 4.225 1.00 15.00 N ATOM 317 CA ASP A 497 0.093 4.384 5.031 1.00 15.00 C ATOM 318 C ASP A 497 1.404 5.067 5.342 1.00 15.00 C ATOM 319 O ASP A 497 2.327 4.480 5.895 1.00 15.00 O ATOM 320 CB ASP A 497 -0.676 4.071 6.312 1.00 15.00 C ATOM 321 CG ASP A 497 0.206 3.637 7.461 1.00 15.00 C ATOM 322 OD1 ASP A 497 0.552 2.443 7.537 1.00 15.00 O ATOM 323 OD2 ASP A 497 0.566 4.503 8.294 1.00 15.00 O1- ATOM 0 H ASP A 497 0.547 2.356 4.747 1.00 15.00 H new ATOM 0 HA ASP A 497 -0.563 5.040 4.459 1.00 15.00 H new ATOM 0 HB2 ASP A 497 -1.239 4.955 6.612 1.00 15.00 H new ATOM 0 HB3 ASP A 497 -1.402 3.285 6.106 1.00 15.00 H new ATOM 328 N HIS A 498 1.500 6.292 4.915 1.00 15.00 N ATOM 329 CA HIS A 498 2.751 7.018 4.975 1.00 15.00 C ATOM 330 C HIS A 498 3.041 7.596 6.350 1.00 15.00 C ATOM 331 O HIS A 498 4.147 8.074 6.599 1.00 15.00 O ATOM 332 CB HIS A 498 2.799 8.077 3.882 1.00 15.00 C ATOM 333 CG HIS A 498 3.085 7.463 2.553 1.00 15.00 C ATOM 334 ND1 HIS A 498 4.369 7.195 2.131 1.00 15.00 N ATOM 335 CD2 HIS A 498 2.262 6.979 1.586 1.00 15.00 C ATOM 336 CE1 HIS A 498 4.330 6.571 0.975 1.00 15.00 C ATOM 337 NE2 HIS A 498 3.070 6.431 0.619 1.00 15.00 N ATOM 0 H HIS A 498 0.724 6.820 4.517 1.00 15.00 H new ATOM 0 HA HIS A 498 3.552 6.301 4.793 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.848 8.608 3.844 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.566 8.814 4.119 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.183 7.018 1.579 1.00 15.00 H new ATOM 0 HE1 HIS A 498 5.187 6.231 0.412 1.00 15.00 H new ATOM 0 HE2 HIS A 498 2.745 5.986 -0.239 1.00 15.00 H new ATOM 346 N ASN A 499 2.067 7.559 7.247 1.00 15.00 N ATOM 347 CA ASN A 499 2.279 8.132 8.567 1.00 15.00 C ATOM 348 C ASN A 499 3.066 7.166 9.459 1.00 15.00 C ATOM 349 O ASN A 499 4.046 7.567 10.085 1.00 15.00 O ATOM 350 CB ASN A 499 0.952 8.567 9.213 1.00 15.00 C ATOM 351 CG ASN A 499 -0.018 7.424 9.448 1.00 15.00 C ATOM 352 OD1 ASN A 499 -0.029 6.820 10.521 1.00 15.00 O ATOM 353 ND2 ASN A 499 -0.863 7.140 8.465 1.00 15.00 N ATOM 0 H ASN A 499 1.146 7.150 7.092 1.00 15.00 H new ATOM 0 HA ASN A 499 2.880 9.034 8.452 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.164 9.053 10.165 1.00 15.00 H new ATOM 0 HB3 ASN A 499 0.475 9.311 8.575 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.553 6.398 8.584 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.822 7.663 7.590 1.00 15.00 H new ATOM 360 N THR A 500 2.639 5.906 9.554 1.00 15.00 N ATOM 361 CA THR A 500 3.478 4.874 10.160 1.00 15.00 C ATOM 362 C THR A 500 4.513 4.366 9.155 1.00 15.00 C ATOM 363 O THR A 500 5.439 3.638 9.512 1.00 15.00 O ATOM 364 CB THR A 500 2.661 3.705 10.748 1.00 15.00 C ATOM 365 OG1 THR A 500 2.064 2.927 9.711 1.00 15.00 O ATOM 366 CG2 THR A 500 1.577 4.226 11.679 1.00 15.00 C ATOM 0 H THR A 500 1.731 5.580 9.224 1.00 15.00 H new ATOM 0 HA THR A 500 3.996 5.340 10.998 1.00 15.00 H new ATOM 0 HB THR A 500 3.346 3.073 11.313 1.00 15.00 H new ATOM 0 HG1 THR A 500 1.250 3.372 9.396 1.00 15.00 H new ATOM 0 HG21 THR A 500 1.011 3.387 12.084 1.00 15.00 H new ATOM 0 HG22 THR A 500 2.036 4.783 12.496 1.00 15.00 H new ATOM 0 HG23 THR A 500 0.906 4.882 11.125 1.00 15.00 H new ATOM 374 N LYS A 501 4.293 4.751 7.887 1.00 15.00 N ATOM 375 CA LYS A 501 5.118 4.374 6.724 1.00 15.00 C ATOM 376 C LYS A 501 5.119 2.862 6.485 1.00 15.00 C ATOM 377 O LYS A 501 6.037 2.317 5.864 1.00 15.00 O ATOM 378 CB LYS A 501 6.558 4.930 6.807 1.00 15.00 C ATOM 379 CG LYS A 501 7.519 4.147 7.687 1.00 15.00 C ATOM 380 CD LYS A 501 8.962 4.506 7.379 1.00 15.00 C ATOM 381 CE LYS A 501 9.929 3.774 8.293 1.00 15.00 C ATOM 382 NZ LYS A 501 9.881 4.295 9.686 1.00 15.00 N1+ ATOM 0 H LYS A 501 3.510 5.353 7.633 1.00 15.00 H new ATOM 0 HA LYS A 501 4.648 4.843 5.860 1.00 15.00 H new ATOM 0 HB2 LYS A 501 6.970 4.972 5.799 1.00 15.00 H new ATOM 0 HB3 LYS A 501 6.511 5.955 7.175 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.306 4.353 8.736 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.367 3.078 7.535 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.185 4.260 6.341 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.101 5.582 7.488 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.691 2.710 8.295 1.00 15.00 H new ATOM 0 HE3 LYS A 501 10.942 3.873 7.903 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.636 3.853 10.248 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.016 5.326 9.676 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.958 4.071 10.109 1.00 15.00 H new ATOM 396 N THR A 502 4.050 2.195 6.900 1.00 15.00 N ATOM 397 CA THR A 502 3.933 0.758 6.688 1.00 15.00 C ATOM 398 C THR A 502 2.993 0.457 5.522 1.00 15.00 C ATOM 399 O THR A 502 2.076 1.223 5.235 1.00 15.00 O ATOM 400 CB THR A 502 3.445 0.014 7.954 1.00 15.00 C ATOM 401 OG1 THR A 502 2.116 0.413 8.320 1.00 15.00 O ATOM 402 CG2 THR A 502 4.386 0.261 9.122 1.00 15.00 C ATOM 0 H THR A 502 3.258 2.621 7.381 1.00 15.00 H new ATOM 0 HA THR A 502 4.934 0.395 6.452 1.00 15.00 H new ATOM 0 HB THR A 502 3.435 -1.050 7.717 1.00 15.00 H new ATOM 0 HG1 THR A 502 2.130 1.337 8.645 1.00 15.00 H new ATOM 0 HG21 THR A 502 4.023 -0.272 10.001 1.00 15.00 H new ATOM 0 HG22 THR A 502 5.384 -0.097 8.867 1.00 15.00 H new ATOM 0 HG23 THR A 502 4.427 1.329 9.337 1.00 15.00 H new ATOM 410 N THR A 503 3.242 -0.646 4.836 1.00 15.00 N ATOM 411 CA THR A 503 2.383 -1.071 3.745 1.00 15.00 C ATOM 412 C THR A 503 1.804 -2.452 4.040 1.00 15.00 C ATOM 413 O THR A 503 2.420 -3.251 4.745 1.00 15.00 O ATOM 414 CB THR A 503 3.133 -1.068 2.391 1.00 15.00 C ATOM 415 OG1 THR A 503 2.333 -1.684 1.376 1.00 15.00 O ATOM 416 CG2 THR A 503 4.478 -1.774 2.481 1.00 15.00 C ATOM 0 H THR A 503 4.033 -1.264 5.016 1.00 15.00 H new ATOM 0 HA THR A 503 1.565 -0.355 3.663 1.00 15.00 H new ATOM 0 HB THR A 503 3.318 -0.026 2.129 1.00 15.00 H new ATOM 0 HG1 THR A 503 2.819 -1.673 0.525 1.00 15.00 H new ATOM 0 HG21 THR A 503 4.969 -1.747 1.508 1.00 15.00 H new ATOM 0 HG22 THR A 503 5.105 -1.271 3.217 1.00 15.00 H new ATOM 0 HG23 THR A 503 4.325 -2.810 2.782 1.00 15.00 H new ATOM 424 N THR A 504 0.595 -2.700 3.557 1.00 15.00 N ATOM 425 CA THR A 504 -0.069 -3.976 3.766 1.00 15.00 C ATOM 426 C THR A 504 -1.010 -4.300 2.606 1.00 15.00 C ATOM 427 O THR A 504 -1.532 -3.398 1.948 1.00 15.00 O ATOM 428 CB THR A 504 -0.852 -3.987 5.099 1.00 15.00 C ATOM 429 OG1 THR A 504 -1.480 -5.261 5.296 1.00 15.00 O ATOM 430 CG2 THR A 504 -1.903 -2.885 5.132 1.00 15.00 C ATOM 0 H THR A 504 0.052 -2.028 3.014 1.00 15.00 H new ATOM 0 HA THR A 504 0.705 -4.742 3.813 1.00 15.00 H new ATOM 0 HB THR A 504 -0.140 -3.806 5.904 1.00 15.00 H new ATOM 0 HG1 THR A 504 -1.605 -5.419 6.255 1.00 15.00 H new ATOM 0 HG21 THR A 504 -2.436 -2.919 6.082 1.00 15.00 H new ATOM 0 HG22 THR A 504 -1.417 -1.915 5.023 1.00 15.00 H new ATOM 0 HG23 THR A 504 -2.609 -3.031 4.314 1.00 15.00 H new ATOM 438 N TRP A 505 -1.194 -5.590 2.334 1.00 15.00 N ATOM 439 CA TRP A 505 -2.189 -6.023 1.360 1.00 15.00 C ATOM 440 C TRP A 505 -3.587 -5.901 1.962 1.00 15.00 C ATOM 441 O TRP A 505 -4.591 -5.966 1.253 1.00 15.00 O ATOM 442 CB TRP A 505 -1.963 -7.479 0.929 1.00 15.00 C ATOM 443 CG TRP A 505 -0.635 -7.750 0.291 1.00 15.00 C ATOM 444 CD1 TRP A 505 0.329 -8.596 0.749 1.00 15.00 C ATOM 445 CD2 TRP A 505 -0.126 -7.190 -0.924 1.00 15.00 C ATOM 446 NE1 TRP A 505 1.402 -8.596 -0.100 1.00 15.00 N ATOM 447 CE2 TRP A 505 1.153 -7.739 -1.130 1.00 15.00 C ATOM 448 CE3 TRP A 505 -0.621 -6.280 -1.855 1.00 15.00 C ATOM 449 CZ2 TRP A 505 1.940 -7.409 -2.225 1.00 15.00 C ATOM 450 CZ3 TRP A 505 0.163 -5.953 -2.942 1.00 15.00 C ATOM 451 CH2 TRP A 505 1.431 -6.516 -3.118 1.00 15.00 C ATOM 0 H TRP A 505 -0.670 -6.348 2.772 1.00 15.00 H new ATOM 0 HA TRP A 505 -2.093 -5.382 0.484 1.00 15.00 H new ATOM 0 HB2 TRP A 505 -2.067 -8.122 1.803 1.00 15.00 H new ATOM 0 HB3 TRP A 505 -2.750 -7.762 0.230 1.00 15.00 H new ATOM 0 HD1 TRP A 505 0.257 -9.183 1.653 1.00 15.00 H new ATOM 0 HE1 TRP A 505 2.251 -9.148 0.019 1.00 15.00 H new ATOM 0 HE3 TRP A 505 -1.599 -5.839 -1.728 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 2.919 -7.844 -2.363 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 -0.210 -5.249 -3.671 1.00 15.00 H new ATOM 0 HH2 TRP A 505 2.019 -6.237 -3.980 1.00 15.00 H new ATOM 462 N GLU A 506 -3.633 -5.754 3.283 1.00 15.00 N ATOM 463 CA GLU A 506 -4.891 -5.689 4.016 1.00 15.00 C ATOM 464 C GLU A 506 -5.578 -4.369 3.846 1.00 15.00 C ATOM 465 O GLU A 506 -4.979 -3.299 3.958 1.00 15.00 O ATOM 466 CB GLU A 506 -4.669 -5.968 5.501 1.00 15.00 C ATOM 467 CG GLU A 506 -4.722 -7.440 5.868 1.00 15.00 C ATOM 468 CD GLU A 506 -6.091 -8.042 5.631 1.00 15.00 C ATOM 469 OE1 GLU A 506 -7.064 -7.603 6.282 1.00 15.00 O1- ATOM 470 OE2 GLU A 506 -6.211 -8.945 4.782 1.00 15.00 O ATOM 0 H GLU A 506 -2.804 -5.677 3.872 1.00 15.00 H new ATOM 0 HA GLU A 506 -5.538 -6.459 3.597 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -3.699 -5.566 5.795 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -5.424 -5.433 6.077 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -3.981 -7.985 5.283 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -4.451 -7.561 6.917 1.00 15.00 H new ATOM 477 N ASP A 507 -6.864 -4.479 3.600 1.00 15.00 N ATOM 478 CA ASP A 507 -7.706 -3.330 3.438 1.00 15.00 C ATOM 479 C ASP A 507 -7.869 -2.609 4.777 1.00 15.00 C ATOM 480 O ASP A 507 -8.226 -3.232 5.775 1.00 15.00 O ATOM 481 CB ASP A 507 -9.060 -3.769 2.877 1.00 15.00 C ATOM 482 CG ASP A 507 -10.110 -2.679 2.927 1.00 15.00 C ATOM 483 OD1 ASP A 507 -10.144 -1.833 2.010 1.00 15.00 O ATOM 484 OD2 ASP A 507 -10.921 -2.685 3.876 1.00 15.00 O1- ATOM 0 H ASP A 507 -7.350 -5.371 3.508 1.00 15.00 H new ATOM 0 HA ASP A 507 -7.249 -2.633 2.735 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -8.930 -4.092 1.844 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -9.416 -4.633 3.439 1.00 15.00 H new ATOM 489 N PRO A 508 -7.601 -1.295 4.826 1.00 15.00 N ATOM 490 CA PRO A 508 -7.670 -0.514 6.072 1.00 15.00 C ATOM 491 C PRO A 508 -9.094 -0.274 6.579 1.00 15.00 C ATOM 492 O PRO A 508 -9.284 0.452 7.558 1.00 15.00 O ATOM 493 CB PRO A 508 -7.023 0.817 5.692 1.00 15.00 C ATOM 494 CG PRO A 508 -7.229 0.934 4.223 1.00 15.00 C ATOM 495 CD PRO A 508 -7.176 -0.468 3.682 1.00 15.00 C ATOM 0 HA PRO A 508 -7.179 -1.045 6.887 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -7.486 1.648 6.224 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -5.963 0.828 5.945 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -8.188 1.402 4.000 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -6.457 1.556 3.770 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -7.841 -0.594 2.827 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -6.173 -0.731 3.347 1.00 15.00 H new ATOM 503 N ARG A 509 -10.077 -0.888 5.921 1.00 15.00 N ATOM 504 CA ARG A 509 -11.484 -0.744 6.291 1.00 15.00 C ATOM 505 C ARG A 509 -11.941 0.706 6.163 1.00 15.00 C ATOM 506 O ARG A 509 -12.264 1.130 5.034 1.00 15.00 O ATOM 507 CB ARG A 509 -11.748 -1.257 7.715 1.00 15.00 C ATOM 508 CG ARG A 509 -11.932 -2.767 7.829 1.00 15.00 C ATOM 509 CD ARG A 509 -10.652 -3.543 7.549 1.00 15.00 C ATOM 510 NE ARG A 509 -10.822 -4.974 7.810 1.00 15.00 N ATOM 511 CZ ARG A 509 -9.956 -5.922 7.439 1.00 15.00 C ATOM 512 NH1 ARG A 509 -8.842 -5.610 6.790 1.00 15.00 N1+ ATOM 513 NH2 ARG A 509 -10.207 -7.195 7.725 1.00 15.00 N ATOM 0 H ARG A 509 -9.921 -1.498 5.118 1.00 15.00 H new ATOM 0 HA ARG A 509 -12.062 -1.354 5.597 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -10.917 -0.958 8.353 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -12.641 -0.766 8.103 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -12.286 -3.010 8.831 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -12.705 -3.087 7.131 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.355 -3.395 6.511 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -9.846 -3.152 8.170 1.00 15.00 H new ATOM 0 HE ARG A 509 -11.661 -5.268 8.310 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -8.637 -4.636 6.568 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -8.190 -6.344 6.513 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -11.059 -7.447 8.226 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -9.548 -7.921 7.443 1.00 15.00 H new TER 527 ARG A 509 ATOM 528 N ARG B 925 -5.097 -12.740 -0.602 1.00 15.00 N ATOM 529 CA ARG B 925 -3.984 -11.786 -0.811 1.00 15.00 C ATOM 530 C ARG B 925 -2.665 -12.393 -0.352 1.00 15.00 C ATOM 531 O ARG B 925 -2.597 -13.044 0.688 1.00 15.00 O ATOM 532 CB ARG B 925 -4.261 -10.460 -0.092 1.00 15.00 C ATOM 533 CG ARG B 925 -4.753 -10.608 1.338 1.00 15.00 C ATOM 534 CD ARG B 925 -5.188 -9.270 1.914 1.00 15.00 C ATOM 535 NE ARG B 925 -6.160 -8.594 1.051 1.00 15.00 N ATOM 536 CZ ARG B 925 -7.354 -8.157 1.455 1.00 15.00 C ATOM 537 NH1 ARG B 925 -7.726 -8.284 2.722 1.00 15.00 N1+ ATOM 538 NH2 ARG B 925 -8.167 -7.567 0.589 1.00 15.00 N ATOM 0 HA ARG B 925 -3.907 -11.577 -1.878 1.00 15.00 H new ATOM 0 HB2 ARG B 925 -3.347 -9.866 -0.089 1.00 15.00 H new ATOM 0 HB3 ARG B 925 -5.003 -9.901 -0.662 1.00 15.00 H new ATOM 0 HG2 ARG B 925 -5.588 -11.308 1.367 1.00 15.00 H new ATOM 0 HG3 ARG B 925 -3.961 -11.032 1.955 1.00 15.00 H new ATOM 0 HD2 ARG B 925 -5.624 -9.424 2.901 1.00 15.00 H new ATOM 0 HD3 ARG B 925 -4.315 -8.631 2.048 1.00 15.00 H new ATOM 0 HE ARG B 925 -5.906 -8.447 0.074 1.00 15.00 H new ATOM 0 HH11 ARG B 925 -7.097 -8.719 3.397 1.00 15.00 H new ATOM 0 HH12 ARG B 925 -8.641 -7.947 3.021 1.00 15.00 H new ATOM 0 HH21 ARG B 925 -7.879 -7.449 -0.382 1.00 15.00 H new ATOM 0 HH22 ARG B 925 -9.081 -7.232 0.894 1.00 15.00 H new ATOM 554 N LEU B 926 -1.624 -12.156 -1.142 1.00 15.00 N ATOM 555 CA LEU B 926 -0.302 -12.732 -0.900 1.00 15.00 C ATOM 556 C LEU B 926 0.370 -12.165 0.346 1.00 15.00 C ATOM 557 O LEU B 926 -0.204 -11.352 1.067 1.00 15.00 O ATOM 558 CB LEU B 926 0.608 -12.510 -2.115 1.00 15.00 C ATOM 559 CG LEU B 926 0.451 -13.531 -3.242 1.00 15.00 C ATOM 560 CD1 LEU B 926 0.568 -14.932 -2.678 1.00 15.00 C ATOM 561 CD2 LEU B 926 -0.871 -13.345 -3.973 1.00 15.00 C ATOM 0 H LEU B 926 -1.670 -11.560 -1.968 1.00 15.00 H new ATOM 0 HA LEU B 926 -0.454 -13.799 -0.735 1.00 15.00 H new ATOM 0 HB2 LEU B 926 0.413 -11.516 -2.517 1.00 15.00 H new ATOM 0 HB3 LEU B 926 1.645 -12.521 -1.779 1.00 15.00 H new ATOM 0 HG LEU B 926 1.247 -13.375 -3.970 1.00 15.00 H new ATOM 0 HD11 LEU B 926 0.456 -15.659 -3.483 1.00 15.00 H new ATOM 0 HD12 LEU B 926 1.545 -15.056 -2.211 1.00 15.00 H new ATOM 0 HD13 LEU B 926 -0.213 -15.091 -1.934 1.00 15.00 H new ATOM 0 HD21 LEU B 926 -0.954 -14.085 -4.769 1.00 15.00 H new ATOM 0 HD22 LEU B 926 -1.696 -13.472 -3.272 1.00 15.00 H new ATOM 0 HD23 LEU B 926 -0.911 -12.344 -4.403 1.00 15.00 H new ATOM 573 N ASP B 927 1.578 -12.647 0.612 1.00 15.00 N ATOM 574 CA ASP B 927 2.403 -12.125 1.695 1.00 15.00 C ATOM 575 C ASP B 927 3.116 -10.856 1.244 1.00 15.00 C ATOM 576 O ASP B 927 3.520 -10.734 0.087 1.00 15.00 O ATOM 577 CB ASP B 927 3.416 -13.179 2.162 1.00 15.00 C ATOM 578 CG ASP B 927 4.105 -13.897 1.018 1.00 15.00 C ATOM 579 OD1 ASP B 927 5.148 -13.410 0.531 1.00 15.00 O ATOM 580 OD2 ASP B 927 3.609 -14.966 0.608 1.00 15.00 O1- ATOM 0 H ASP B 927 2.012 -13.406 0.087 1.00 15.00 H new ATOM 0 HA ASP B 927 1.757 -11.881 2.539 1.00 15.00 H new ATOM 0 HB2 ASP B 927 4.169 -12.698 2.786 1.00 15.00 H new ATOM 0 HB3 ASP B 927 2.905 -13.912 2.787 1.00 15.00 H new ATOM 585 N LEU B 928 3.252 -9.911 2.161 1.00 15.00 N ATOM 586 CA LEU B 928 3.821 -8.602 1.855 1.00 15.00 C ATOM 587 C LEU B 928 5.332 -8.664 1.643 1.00 15.00 C ATOM 588 O LEU B 928 6.054 -9.263 2.442 1.00 15.00 O ATOM 589 CB LEU B 928 3.524 -7.634 2.998 1.00 15.00 C ATOM 590 CG LEU B 928 4.039 -6.212 2.785 1.00 15.00 C ATOM 591 CD1 LEU B 928 3.077 -5.414 1.916 1.00 15.00 C ATOM 592 CD2 LEU B 928 4.274 -5.528 4.117 1.00 15.00 C ATOM 0 H LEU B 928 2.973 -10.026 3.135 1.00 15.00 H new ATOM 0 HA LEU B 928 3.362 -8.259 0.928 1.00 15.00 H new ATOM 0 HB2 LEU B 928 2.446 -7.595 3.151 1.00 15.00 H new ATOM 0 HB3 LEU B 928 3.962 -8.030 3.914 1.00 15.00 H new ATOM 0 HG LEU B 928 4.993 -6.264 2.261 1.00 15.00 H new ATOM 0 HD11 LEU B 928 3.464 -4.404 1.778 1.00 15.00 H new ATOM 0 HD12 LEU B 928 2.975 -5.900 0.946 1.00 15.00 H new ATOM 0 HD13 LEU B 928 2.102 -5.366 2.402 1.00 15.00 H new ATOM 0 HD21 LEU B 928 4.641 -4.516 3.947 1.00 15.00 H new ATOM 0 HD22 LEU B 928 3.338 -5.486 4.674 1.00 15.00 H new ATOM 0 HD23 LEU B 928 5.012 -6.090 4.689 1.00 15.00 H new ATOM 604 N PRO B 929 5.832 -8.010 0.582 1.00 15.00 N ATOM 605 CA PRO B 929 7.261 -7.848 0.357 1.00 15.00 C ATOM 606 C PRO B 929 7.809 -6.673 1.168 1.00 15.00 C ATOM 607 O PRO B 929 7.112 -5.672 1.352 1.00 15.00 O ATOM 608 CB PRO B 929 7.368 -7.550 -1.150 1.00 15.00 C ATOM 609 CG PRO B 929 5.966 -7.446 -1.670 1.00 15.00 C ATOM 610 CD PRO B 929 5.053 -7.362 -0.480 1.00 15.00 C ATOM 0 HA PRO B 929 7.832 -8.725 0.660 1.00 15.00 H new ATOM 0 HB2 PRO B 929 7.915 -6.623 -1.323 1.00 15.00 H new ATOM 0 HB3 PRO B 929 7.913 -8.342 -1.663 1.00 15.00 H new ATOM 0 HG2 PRO B 929 5.855 -6.565 -2.302 1.00 15.00 H new ATOM 0 HG3 PRO B 929 5.719 -8.312 -2.284 1.00 15.00 H new ATOM 0 HD2 PRO B 929 4.811 -6.329 -0.230 1.00 15.00 H new ATOM 0 HD3 PRO B 929 4.109 -7.876 -0.659 1.00 15.00 H new ATOM 618 N PRO B 930 9.058 -6.771 1.659 1.00 15.00 N ATOM 619 CA PRO B 930 9.709 -5.688 2.409 1.00 15.00 C ATOM 620 C PRO B 930 9.629 -4.365 1.657 1.00 15.00 C ATOM 621 O PRO B 930 9.903 -4.314 0.455 1.00 15.00 O ATOM 622 CB PRO B 930 11.169 -6.148 2.538 1.00 15.00 C ATOM 623 CG PRO B 930 11.307 -7.322 1.625 1.00 15.00 C ATOM 624 CD PRO B 930 9.940 -7.935 1.520 1.00 15.00 C ATOM 0 HA PRO B 930 9.232 -5.512 3.373 1.00 15.00 H new ATOM 0 HB2 PRO B 930 11.857 -5.351 2.256 1.00 15.00 H new ATOM 0 HB3 PRO B 930 11.403 -6.423 3.567 1.00 15.00 H new ATOM 0 HG2 PRO B 930 11.671 -7.012 0.645 1.00 15.00 H new ATOM 0 HG3 PRO B 930 12.026 -8.040 2.020 1.00 15.00 H new ATOM 0 HD2 PRO B 930 9.795 -8.442 0.566 1.00 15.00 H new ATOM 0 HD3 PRO B 930 9.765 -8.673 2.303 1.00 15.00 H new ATOM 632 N TYR B 931 9.260 -3.300 2.366 1.00 15.00 N ATOM 633 CA TYR B 931 8.980 -2.027 1.720 1.00 15.00 C ATOM 634 C TYR B 931 10.242 -1.464 1.067 1.00 15.00 C ATOM 635 O TYR B 931 11.242 -1.177 1.729 1.00 15.00 O ATOM 636 CB TYR B 931 8.410 -1.054 2.775 1.00 15.00 C ATOM 637 CG TYR B 931 7.994 0.329 2.281 1.00 15.00 C ATOM 638 CD1 TYR B 931 7.770 0.601 0.936 1.00 15.00 C ATOM 639 CD2 TYR B 931 7.820 1.372 3.189 1.00 15.00 C ATOM 640 CE1 TYR B 931 7.391 1.863 0.514 1.00 15.00 C ATOM 641 CE2 TYR B 931 7.442 2.631 2.774 1.00 15.00 C ATOM 642 CZ TYR B 931 7.228 2.873 1.437 1.00 15.00 C ATOM 643 OH TYR B 931 6.852 4.133 1.022 1.00 15.00 O ATOM 0 H TYR B 931 9.150 -3.296 3.380 1.00 15.00 H new ATOM 0 HA TYR B 931 8.245 -2.167 0.927 1.00 15.00 H new ATOM 0 HB2 TYR B 931 7.543 -1.525 3.238 1.00 15.00 H new ATOM 0 HB3 TYR B 931 9.158 -0.925 3.557 1.00 15.00 H new ATOM 0 HD1 TYR B 931 7.894 -0.187 0.208 1.00 15.00 H new ATOM 0 HD2 TYR B 931 7.985 1.190 4.241 1.00 15.00 H new ATOM 0 HE1 TYR B 931 7.223 2.056 -0.535 1.00 15.00 H new ATOM 0 HE2 TYR B 931 7.314 3.424 3.496 1.00 15.00 H new ATOM 0 HH TYR B 931 6.781 4.726 1.799 1.00 15.00 H new ATOM 653 N GLU B 932 10.150 -1.306 -0.241 1.00 15.00 N ATOM 654 CA GLU B 932 11.143 -0.617 -1.045 1.00 15.00 C ATOM 655 C GLU B 932 10.527 0.684 -1.499 1.00 15.00 C ATOM 656 O GLU B 932 9.333 0.706 -1.805 1.00 15.00 O ATOM 657 CB GLU B 932 11.508 -1.467 -2.264 1.00 15.00 C ATOM 658 CG GLU B 932 12.224 -2.764 -1.928 1.00 15.00 C ATOM 659 CD GLU B 932 13.696 -2.560 -1.649 1.00 15.00 C ATOM 660 OE1 GLU B 932 14.463 -2.368 -2.620 1.00 15.00 O ATOM 661 OE2 GLU B 932 14.103 -2.600 -0.470 1.00 15.00 O1- ATOM 0 H GLU B 932 9.365 -1.661 -0.786 1.00 15.00 H new ATOM 0 HA GLU B 932 12.050 -0.438 -0.468 1.00 15.00 H new ATOM 0 HB2 GLU B 932 10.597 -1.700 -2.816 1.00 15.00 H new ATOM 0 HB3 GLU B 932 12.141 -0.877 -2.928 1.00 15.00 H new ATOM 0 HG2 GLU B 932 11.753 -3.220 -1.057 1.00 15.00 H new ATOM 0 HG3 GLU B 932 12.108 -3.464 -2.756 1.00 15.00 H new ATOM 668 N THR B 933 11.282 1.761 -1.576 1.00 15.00 N ATOM 669 CA THR B 933 10.665 2.991 -2.012 1.00 15.00 C ATOM 670 C THR B 933 10.417 2.954 -3.510 1.00 15.00 C ATOM 671 O THR B 933 11.334 2.801 -4.320 1.00 15.00 O ATOM 672 CB THR B 933 11.476 4.249 -1.664 1.00 15.00 C ATOM 673 OG1 THR B 933 12.058 4.113 -0.359 1.00 15.00 O ATOM 674 CG2 THR B 933 10.554 5.469 -1.694 1.00 15.00 C ATOM 0 H THR B 933 12.276 1.811 -1.354 1.00 15.00 H new ATOM 0 HA THR B 933 9.723 3.060 -1.468 1.00 15.00 H new ATOM 0 HB THR B 933 12.275 4.377 -2.395 1.00 15.00 H new ATOM 0 HG1 THR B 933 12.574 4.918 -0.146 1.00 15.00 H new ATOM 0 HG21 THR B 933 11.126 6.364 -1.448 1.00 15.00 H new ATOM 0 HG22 THR B 933 10.124 5.576 -2.690 1.00 15.00 H new ATOM 0 HG23 THR B 933 9.754 5.338 -0.966 1.00 15.00 H new ATOM 682 N PHE B 934 9.154 3.073 -3.845 1.00 15.00 N ATOM 683 CA PHE B 934 8.702 3.233 -5.208 1.00 15.00 C ATOM 684 C PHE B 934 8.618 4.743 -5.473 1.00 15.00 C ATOM 685 O PHE B 934 8.991 5.528 -4.598 1.00 15.00 O ATOM 686 CB PHE B 934 7.347 2.521 -5.406 1.00 15.00 C ATOM 687 CG PHE B 934 6.218 3.262 -4.776 1.00 15.00 C ATOM 688 CD1 PHE B 934 5.966 3.172 -3.412 1.00 15.00 C ATOM 689 CD2 PHE B 934 5.455 4.114 -5.543 1.00 15.00 C ATOM 690 CE1 PHE B 934 4.973 3.924 -2.845 1.00 15.00 C ATOM 691 CE2 PHE B 934 4.473 4.880 -4.974 1.00 15.00 C ATOM 692 CZ PHE B 934 4.237 4.786 -3.627 1.00 15.00 C ATOM 0 H PHE B 934 8.395 3.061 -3.163 1.00 15.00 H new ATOM 0 HA PHE B 934 9.389 2.777 -5.920 1.00 15.00 H new ATOM 0 HB2 PHE B 934 7.152 2.406 -6.472 1.00 15.00 H new ATOM 0 HB3 PHE B 934 7.401 1.518 -4.982 1.00 15.00 H new ATOM 0 HD1 PHE B 934 6.555 2.507 -2.798 1.00 15.00 H new ATOM 0 HD2 PHE B 934 5.633 4.179 -6.606 1.00 15.00 H new ATOM 0 HE1 PHE B 934 4.767 3.842 -1.788 1.00 15.00 H new ATOM 0 HE2 PHE B 934 3.888 5.554 -5.583 1.00 15.00 H new ATOM 0 HZ PHE B 934 3.467 5.393 -3.175 1.00 15.00 H new ATOM 702 N GLU B 935 8.201 5.149 -6.669 1.00 15.00 N ATOM 703 CA GLU B 935 8.123 6.575 -7.023 1.00 15.00 C ATOM 704 C GLU B 935 7.401 7.382 -5.929 1.00 15.00 C ATOM 705 O GLU B 935 6.533 6.869 -5.230 1.00 15.00 O ATOM 706 CB GLU B 935 7.346 6.731 -8.339 1.00 15.00 C ATOM 707 CG GLU B 935 5.830 6.743 -8.153 1.00 15.00 C ATOM 708 CD GLU B 935 5.065 6.602 -9.449 1.00 15.00 C ATOM 709 OE1 GLU B 935 4.938 5.464 -9.949 1.00 15.00 O1- ATOM 710 OE2 GLU B 935 4.574 7.626 -9.968 1.00 15.00 O ATOM 0 H GLU B 935 7.910 4.516 -7.414 1.00 15.00 H new ATOM 0 HA GLU B 935 9.140 6.954 -7.127 1.00 15.00 H new ATOM 0 HB2 GLU B 935 7.652 7.658 -8.825 1.00 15.00 H new ATOM 0 HB3 GLU B 935 7.615 5.915 -9.010 1.00 15.00 H new ATOM 0 HG2 GLU B 935 5.547 5.931 -7.483 1.00 15.00 H new ATOM 0 HG3 GLU B 935 5.538 7.674 -7.667 1.00 15.00 H new ATOM 717 N ASP B 936 7.762 8.646 -5.786 1.00 15.00 N ATOM 718 CA ASP B 936 7.133 9.496 -4.781 1.00 15.00 C ATOM 719 C ASP B 936 5.655 9.705 -5.108 1.00 15.00 C ATOM 720 O ASP B 936 5.299 10.119 -6.212 1.00 15.00 O ATOM 721 CB ASP B 936 7.857 10.844 -4.675 1.00 15.00 C ATOM 722 CG ASP B 936 7.870 11.614 -5.979 1.00 15.00 C ATOM 723 OD1 ASP B 936 8.740 11.333 -6.830 1.00 15.00 O1- ATOM 724 OD2 ASP B 936 7.015 12.508 -6.157 1.00 15.00 O ATOM 0 H ASP B 936 8.480 9.106 -6.346 1.00 15.00 H new ATOM 0 HA ASP B 936 7.207 8.995 -3.816 1.00 15.00 H new ATOM 0 HB2 ASP B 936 7.375 11.449 -3.907 1.00 15.00 H new ATOM 0 HB3 ASP B 936 8.883 10.674 -4.350 1.00 15.00 H new ATOM 729 N LEU B 937 4.800 9.396 -4.142 1.00 15.00 N ATOM 730 CA LEU B 937 3.359 9.531 -4.314 1.00 15.00 C ATOM 731 C LEU B 937 2.954 11.001 -4.222 1.00 15.00 C ATOM 732 O LEU B 937 2.640 11.636 -5.228 1.00 15.00 O ATOM 733 CB LEU B 937 2.631 8.682 -3.255 1.00 15.00 C ATOM 734 CG LEU B 937 1.135 8.409 -3.500 1.00 15.00 C ATOM 735 CD1 LEU B 937 0.280 9.614 -3.142 1.00 15.00 C ATOM 736 CD2 LEU B 937 0.899 8.000 -4.946 1.00 15.00 C ATOM 0 H LEU B 937 5.082 9.048 -3.226 1.00 15.00 H new ATOM 0 HA LEU B 937 3.073 9.168 -5.301 1.00 15.00 H new ATOM 0 HB2 LEU B 937 3.144 7.723 -3.175 1.00 15.00 H new ATOM 0 HB3 LEU B 937 2.733 9.179 -2.290 1.00 15.00 H new ATOM 0 HG LEU B 937 0.838 7.587 -2.848 1.00 15.00 H new ATOM 0 HD11 LEU B 937 -0.769 9.384 -3.328 1.00 15.00 H new ATOM 0 HD12 LEU B 937 0.417 9.857 -2.088 1.00 15.00 H new ATOM 0 HD13 LEU B 937 0.578 10.466 -3.753 1.00 15.00 H new ATOM 0 HD21 LEU B 937 -0.163 7.811 -5.102 1.00 15.00 H new ATOM 0 HD22 LEU B 937 1.226 8.801 -5.609 1.00 15.00 H new ATOM 0 HD23 LEU B 937 1.465 7.094 -5.165 1.00 15.00 H new HETATM 748 N NH2 B 938 2.961 11.538 -3.011 1.00 15.00 N TER 751 NH2 B 938