USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 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 Single : A 485 MET CE :methyl 157:sc= -0.199 (180deg=-0.826) USER MOD Single : A 490 ASN : amide:sc= -1.92! C(o=-1.9!,f=-8!) USER MOD Single : A 496 TYR OH : rot 180:sc= 0 USER MOD Single : A 498 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-8.7!) USER MOD Single : A 499 ASN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 504 THR OG1 : rot 1:sc= -0.295 USER MOD Single : B 206 ASN : amide:sc= -0.776 K(o=-0.78,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.747 0.345 2.964 1.00 15.00 N ATOM 30 CA PHE A 478 -10.954 0.550 1.520 1.00 15.00 C ATOM 31 C PHE A 478 -10.583 -0.797 0.950 1.00 15.00 C ATOM 32 O PHE A 478 -11.077 -1.285 -0.065 1.00 15.00 O ATOM 33 CB PHE A 478 -9.828 1.341 0.849 1.00 15.00 C ATOM 34 CG PHE A 478 -9.102 2.246 1.757 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.672 2.921 2.816 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.725 2.167 1.673 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.854 3.481 3.770 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.942 2.748 2.568 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.481 3.382 3.620 1.00 15.00 C ATOM 0 HA PHE A 478 -11.936 1.001 1.376 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.119 0.640 0.409 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.248 1.926 0.030 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.746 3.009 2.895 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.277 1.618 0.858 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.277 3.990 4.623 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.869 2.712 2.451 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.833 3.823 4.363 1.00 15.00 H new ATOM 49 N LEU A 479 -9.627 -1.332 1.707 1.00 15.00 N ATOM 50 CA LEU A 479 -8.406 -1.890 1.186 1.00 15.00 C ATOM 51 C LEU A 479 -8.158 -3.288 1.785 1.00 15.00 C ATOM 52 O LEU A 479 -8.579 -3.559 2.909 1.00 15.00 O ATOM 53 CB LEU A 479 -7.305 -0.808 1.498 1.00 15.00 C ATOM 54 CG LEU A 479 -5.975 -0.918 0.757 1.00 15.00 C ATOM 55 CD1 LEU A 479 -6.085 -0.192 -0.561 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.834 -0.305 1.547 1.00 15.00 C ATOM 0 H LEU A 479 -9.693 -1.385 2.723 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.420 -2.079 0.113 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.728 0.173 1.284 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.097 -0.839 2.568 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.762 -1.977 0.610 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -5.139 -0.266 -1.097 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.877 -0.642 -1.159 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -6.319 0.857 -0.380 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.906 -0.405 0.983 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -5.040 0.751 1.723 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.735 -0.820 2.503 1.00 15.00 H new ATOM 68 N PRO A 480 -7.483 -4.186 1.034 1.00 15.00 N ATOM 69 CA PRO A 480 -7.322 -5.612 1.413 1.00 15.00 C ATOM 70 C PRO A 480 -6.594 -5.791 2.770 1.00 15.00 C ATOM 71 O PRO A 480 -6.062 -4.830 3.327 1.00 15.00 O ATOM 72 CB PRO A 480 -6.467 -6.196 0.263 1.00 15.00 C ATOM 73 CG PRO A 480 -6.400 -5.172 -0.812 1.00 15.00 C ATOM 74 CD PRO A 480 -6.793 -3.854 -0.220 1.00 15.00 C ATOM 0 HA PRO A 480 -8.285 -6.105 1.543 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.467 -6.445 0.618 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.910 -7.118 -0.113 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.393 -5.119 -1.226 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.068 -5.436 -1.632 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.919 -3.229 -0.035 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.446 -3.299 -0.894 1.00 15.00 H new ATOM 82 N PRO A 481 -6.535 -7.033 3.307 1.00 15.00 N ATOM 83 CA PRO A 481 -5.916 -7.333 4.620 1.00 15.00 C ATOM 84 C PRO A 481 -4.374 -7.376 4.595 1.00 15.00 C ATOM 85 O PRO A 481 -3.747 -7.980 5.467 1.00 15.00 O ATOM 86 CB PRO A 481 -6.472 -8.729 4.965 1.00 15.00 C ATOM 87 CG PRO A 481 -7.495 -9.036 3.919 1.00 15.00 C ATOM 88 CD PRO A 481 -7.098 -8.248 2.711 1.00 15.00 C ATOM 0 HA PRO A 481 -6.152 -6.553 5.344 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.678 -9.476 4.965 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.917 -8.737 5.960 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.519 -10.103 3.698 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.493 -8.757 4.256 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.367 -8.779 2.101 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.951 -8.029 2.069 1.00 15.00 H new ATOM 96 N GLY A 482 -3.773 -6.689 3.636 1.00 15.00 N ATOM 97 CA GLY A 482 -2.326 -6.652 3.508 1.00 15.00 C ATOM 98 C GLY A 482 -1.827 -5.272 3.731 1.00 15.00 C ATOM 99 O GLY A 482 -0.649 -5.024 3.636 1.00 15.00 O ATOM 0 H GLY A 482 -4.270 -6.146 2.930 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.872 -7.332 4.229 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -2.032 -6.997 2.517 1.00 15.00 H new ATOM 103 N TRP A 483 -2.724 -4.367 4.019 1.00 15.00 N ATOM 104 CA TRP A 483 -2.556 -3.060 3.466 1.00 15.00 C ATOM 105 C TRP A 483 -2.519 -1.911 4.432 1.00 15.00 C ATOM 106 O TRP A 483 -3.448 -1.635 5.193 1.00 15.00 O ATOM 107 CB TRP A 483 -3.601 -2.904 2.399 1.00 15.00 C ATOM 108 CG TRP A 483 -3.379 -3.947 1.378 1.00 15.00 C ATOM 109 CD1 TRP A 483 -4.013 -5.124 1.245 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.361 -3.960 0.425 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.449 -5.855 0.248 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.460 -5.157 -0.267 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.386 -3.081 0.072 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.649 -5.507 -1.268 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.553 -3.431 -0.938 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.679 -4.636 -1.609 1.00 15.00 C ATOM 0 H TRP A 483 -3.545 -4.505 4.609 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.547 -3.002 3.057 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.599 -2.998 2.828 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.540 -1.913 1.949 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.852 -5.444 1.845 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.742 -6.785 -0.050 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.279 -2.134 0.580 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.765 -6.449 -1.783 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.233 -2.750 -1.228 1.00 15.00 H new ATOM 0 HH2 TRP A 483 0.004 -4.879 -2.410 1.00 15.00 H new ATOM 127 N GLU A 484 -1.396 -1.240 4.326 1.00 15.00 N ATOM 128 CA GLU A 484 -1.122 -0.013 5.036 1.00 15.00 C ATOM 129 C GLU A 484 -1.327 1.138 4.070 1.00 15.00 C ATOM 130 O GLU A 484 -0.546 1.296 3.134 1.00 15.00 O ATOM 131 CB GLU A 484 0.337 -0.009 5.522 1.00 15.00 C ATOM 132 CG GLU A 484 0.605 0.804 6.765 1.00 15.00 C ATOM 133 CD GLU A 484 -0.484 0.677 7.809 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.567 -0.398 8.450 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.250 1.643 8.001 1.00 15.00 O ATOM 0 H GLU A 484 -0.627 -1.541 3.727 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.783 0.081 5.897 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.642 -1.038 5.709 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.968 0.369 4.718 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.554 0.489 7.199 1.00 15.00 H new ATOM 0 HG3 GLU A 484 0.713 1.853 6.489 1.00 15.00 H new ATOM 142 N MET A 485 -2.384 1.908 4.244 1.00 15.00 N ATOM 143 CA MET A 485 -2.560 3.081 3.417 1.00 15.00 C ATOM 144 C MET A 485 -1.887 4.247 4.090 1.00 15.00 C ATOM 145 O MET A 485 -2.438 4.855 5.007 1.00 15.00 O ATOM 146 CB MET A 485 -4.018 3.438 3.178 1.00 15.00 C ATOM 147 CG MET A 485 -4.194 4.458 2.056 1.00 15.00 C ATOM 148 SD MET A 485 -5.516 5.654 2.359 1.00 15.00 S ATOM 149 CE MET A 485 -4.912 6.484 3.828 1.00 15.00 C ATOM 0 H MET A 485 -3.117 1.747 4.934 1.00 15.00 H new ATOM 0 HA MET A 485 -2.120 2.857 2.445 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.575 2.533 2.933 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.447 3.837 4.098 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.256 4.995 1.915 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.401 3.929 1.126 1.00 15.00 H new ATOM 0 HE1 MET A 485 -5.369 7.471 3.902 1.00 15.00 H new ATOM 0 HE2 MET A 485 -5.171 5.898 4.710 1.00 15.00 H new ATOM 0 HE3 MET A 485 -3.829 6.589 3.767 1.00 15.00 H new ATOM 159 N ARG A 486 -0.672 4.510 3.685 1.00 15.00 N ATOM 160 CA ARG A 486 0.061 5.620 4.233 1.00 15.00 C ATOM 161 C ARG A 486 0.185 6.708 3.193 1.00 15.00 C ATOM 162 O ARG A 486 0.856 6.542 2.186 1.00 15.00 O ATOM 163 CB ARG A 486 1.439 5.172 4.728 1.00 15.00 C ATOM 164 CG ARG A 486 1.370 4.227 5.917 1.00 15.00 C ATOM 165 CD ARG A 486 0.957 4.946 7.190 1.00 15.00 C ATOM 166 NE ARG A 486 2.093 5.593 7.844 1.00 15.00 N ATOM 167 CZ ARG A 486 1.992 6.674 8.612 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.836 7.309 8.725 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.060 7.130 9.248 1.00 15.00 N ATOM 0 H ARG A 486 -0.170 3.972 2.979 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.482 6.015 5.091 1.00 15.00 H new ATOM 0 HB2 ARG A 486 1.969 4.681 3.912 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.022 6.051 5.004 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.660 3.428 5.705 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.343 3.758 6.065 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.199 5.694 6.955 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.500 4.234 7.877 1.00 15.00 H new ATOM 0 HE ARG A 486 3.020 5.191 7.703 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.016 6.970 8.221 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.765 8.138 9.316 1.00 15.00 H new ATOM 0 HH21 ARG A 486 3.956 6.653 9.148 1.00 15.00 H new ATOM 0 HH22 ARG A 486 2.987 7.959 9.838 1.00 15.00 H new ATOM 183 N ILE A 487 -0.514 7.795 3.428 1.00 15.00 N ATOM 184 CA ILE A 487 -0.372 8.987 2.623 1.00 15.00 C ATOM 185 C ILE A 487 0.706 9.825 3.250 1.00 15.00 C ATOM 186 O ILE A 487 0.604 10.252 4.399 1.00 15.00 O ATOM 187 CB ILE A 487 -1.697 9.743 2.490 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.455 11.140 1.883 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.426 9.778 3.819 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.681 12.025 1.880 1.00 15.00 C ATOM 0 H ILE A 487 -1.196 7.878 4.182 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.089 8.726 1.603 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.354 9.215 1.799 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.662 11.636 2.442 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.099 11.024 0.859 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.365 10.319 3.705 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.632 8.759 4.148 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.806 10.280 4.561 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.432 12.990 1.438 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.470 11.551 1.296 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -3.026 12.173 2.903 1.00 15.00 H new ATOM 202 N ALA A 488 1.756 10.026 2.492 1.00 15.00 N ATOM 203 CA ALA A 488 2.968 10.574 3.025 1.00 15.00 C ATOM 204 C ALA A 488 2.905 12.088 2.928 1.00 15.00 C ATOM 205 O ALA A 488 2.248 12.607 2.024 1.00 15.00 O ATOM 206 CB ALA A 488 4.169 10.050 2.256 1.00 15.00 C ATOM 0 H ALA A 488 1.790 9.814 1.495 1.00 15.00 H new ATOM 0 HA ALA A 488 3.075 10.275 4.068 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.082 10.475 2.673 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.206 8.964 2.335 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.082 10.335 1.207 1.00 15.00 H new ATOM 212 N PRO A 489 3.561 12.818 3.845 1.00 15.00 N ATOM 213 CA PRO A 489 3.493 14.293 3.897 1.00 15.00 C ATOM 214 C PRO A 489 3.940 14.983 2.600 1.00 15.00 C ATOM 215 O PRO A 489 3.867 16.205 2.481 1.00 15.00 O ATOM 216 CB PRO A 489 4.440 14.656 5.044 1.00 15.00 C ATOM 217 CG PRO A 489 4.526 13.425 5.877 1.00 15.00 C ATOM 218 CD PRO A 489 4.407 12.273 4.922 1.00 15.00 C ATOM 0 HA PRO A 489 2.465 14.628 4.037 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.421 14.948 4.669 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.056 15.497 5.621 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.470 13.386 6.420 1.00 15.00 H new ATOM 0 HG3 PRO A 489 3.729 13.400 6.620 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.381 11.957 4.549 1.00 15.00 H new ATOM 0 HD3 PRO A 489 3.949 11.404 5.394 1.00 15.00 H new ATOM 226 N ASN A 490 4.406 14.201 1.638 1.00 15.00 N ATOM 227 CA ASN A 490 4.842 14.725 0.352 1.00 15.00 C ATOM 228 C ASN A 490 3.801 14.453 -0.725 1.00 15.00 C ATOM 229 O ASN A 490 3.863 15.021 -1.814 1.00 15.00 O ATOM 230 CB ASN A 490 6.207 14.148 -0.070 1.00 15.00 C ATOM 231 CG ASN A 490 6.448 12.727 0.415 1.00 15.00 C ATOM 232 OD1 ASN A 490 6.112 12.369 1.544 1.00 15.00 O ATOM 233 ND2 ASN A 490 7.024 11.893 -0.421 1.00 15.00 N ATOM 0 H ASN A 490 4.493 13.188 1.726 1.00 15.00 H new ATOM 0 HA ASN A 490 4.957 15.803 0.467 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.279 14.168 -1.157 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.998 14.792 0.314 1.00 15.00 H new ATOM 0 HD21 ASN A 490 7.200 10.929 -0.139 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.295 12.210 -1.352 1.00 15.00 H new ATOM 240 N GLY A 491 2.857 13.564 -0.434 1.00 15.00 N ATOM 241 CA GLY A 491 1.827 13.248 -1.408 1.00 15.00 C ATOM 242 C GLY A 491 1.968 11.841 -1.932 1.00 15.00 C ATOM 243 O GLY A 491 1.631 11.550 -3.077 1.00 15.00 O ATOM 0 H GLY A 491 2.786 13.060 0.450 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.845 13.370 -0.951 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.882 13.953 -2.238 1.00 15.00 H new ATOM 247 N ARG A 492 2.486 10.972 -1.083 1.00 15.00 N ATOM 248 CA ARG A 492 2.685 9.576 -1.426 1.00 15.00 C ATOM 249 C ARG A 492 1.794 8.668 -0.598 1.00 15.00 C ATOM 250 O ARG A 492 2.146 8.334 0.521 1.00 15.00 O ATOM 251 CB ARG A 492 4.119 9.153 -1.144 1.00 15.00 C ATOM 252 CG ARG A 492 5.132 9.310 -2.262 1.00 15.00 C ATOM 253 CD ARG A 492 5.356 10.725 -2.734 1.00 15.00 C ATOM 254 NE ARG A 492 6.709 10.850 -3.280 1.00 15.00 N ATOM 255 CZ ARG A 492 7.004 10.932 -4.575 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.049 10.840 -5.495 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.270 11.072 -4.950 1.00 15.00 N ATOM 0 H ARG A 492 2.780 11.214 -0.137 1.00 15.00 H new ATOM 0 HA ARG A 492 2.446 9.482 -2.485 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.475 9.724 -0.286 1.00 15.00 H new ATOM 0 HB3 ARG A 492 4.107 8.104 -0.847 1.00 15.00 H new ATOM 0 HG2 ARG A 492 6.085 8.901 -1.927 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.808 8.708 -3.111 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.620 10.987 -3.494 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.221 11.421 -1.906 1.00 15.00 H new ATOM 0 HE ARG A 492 7.484 10.876 -2.617 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.079 10.705 -5.211 1.00 15.00 H new ATOM 0 HH12 ARG A 492 6.287 10.904 -6.485 1.00 15.00 H new ATOM 0 HH21 ARG A 492 9.008 11.116 -4.247 1.00 15.00 H new ATOM 0 HH22 ARG A 492 8.504 11.136 -5.941 1.00 15.00 H new ATOM 271 N PRO A 493 0.621 8.292 -1.086 1.00 15.00 N ATOM 272 CA PRO A 493 -0.154 7.225 -0.478 1.00 15.00 C ATOM 273 C PRO A 493 0.219 5.903 -1.065 1.00 15.00 C ATOM 274 O PRO A 493 -0.164 5.549 -2.182 1.00 15.00 O ATOM 275 CB PRO A 493 -1.606 7.616 -0.785 1.00 15.00 C ATOM 276 CG PRO A 493 -1.496 8.955 -1.441 1.00 15.00 C ATOM 277 CD PRO A 493 -0.156 8.951 -2.119 1.00 15.00 C ATOM 0 HA PRO A 493 0.018 7.114 0.593 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.084 6.889 -1.442 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.205 7.666 0.124 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.301 9.109 -2.160 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.565 9.759 -0.709 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.161 8.398 -3.058 1.00 15.00 H new ATOM 0 HD3 PRO A 493 0.206 9.955 -2.342 1.00 15.00 H new ATOM 285 N PHE A 494 1.051 5.210 -0.311 1.00 15.00 N ATOM 286 CA PHE A 494 1.563 3.957 -0.737 1.00 15.00 C ATOM 287 C PHE A 494 0.551 2.953 -0.223 1.00 15.00 C ATOM 288 O PHE A 494 0.269 2.929 0.977 1.00 15.00 O ATOM 289 CB PHE A 494 2.892 3.607 -0.055 1.00 15.00 C ATOM 290 CG PHE A 494 3.773 4.746 0.388 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.470 5.415 1.571 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.933 5.091 -0.275 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.277 6.388 2.065 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.760 6.070 0.237 1.00 15.00 C ATOM 295 CZ PHE A 494 5.432 6.719 1.411 1.00 15.00 C ATOM 0 H PHE A 494 1.379 5.512 0.606 1.00 15.00 H new ATOM 0 HA PHE A 494 1.725 3.965 -1.815 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.669 2.995 0.819 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.467 2.985 -0.741 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.571 5.153 2.109 1.00 15.00 H new ATOM 0 HD2 PHE A 494 5.194 4.593 -1.197 1.00 15.00 H new ATOM 0 HE1 PHE A 494 4.007 6.902 2.976 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.670 6.330 -0.284 1.00 15.00 H new ATOM 0 HZ PHE A 494 6.083 7.483 1.810 1.00 15.00 H new ATOM 305 N PHE A 495 -0.008 2.152 -1.079 1.00 15.00 N ATOM 306 CA PHE A 495 -0.825 1.061 -0.620 1.00 15.00 C ATOM 307 C PHE A 495 0.132 -0.119 -0.440 1.00 15.00 C ATOM 308 O PHE A 495 0.553 -0.729 -1.423 1.00 15.00 O ATOM 309 CB PHE A 495 -1.910 0.708 -1.646 1.00 15.00 C ATOM 310 CG PHE A 495 -2.821 1.852 -1.995 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.821 2.246 -1.124 1.00 15.00 C ATOM 312 CD2 PHE A 495 -2.672 2.538 -3.192 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.658 3.301 -1.437 1.00 15.00 C ATOM 314 CE2 PHE A 495 -3.503 3.594 -3.509 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.497 3.976 -2.630 1.00 15.00 C ATOM 0 H PHE A 495 0.083 2.229 -2.092 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.342 1.319 0.304 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.431 0.349 -2.557 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.510 -0.114 -1.256 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -3.949 1.723 -0.188 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -1.897 2.242 -3.884 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -5.436 3.596 -0.749 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -3.376 4.121 -4.443 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.148 4.802 -2.876 1.00 15.00 H new ATOM 325 N TYR A 496 0.564 -0.379 0.790 1.00 15.00 N ATOM 326 CA TYR A 496 1.644 -1.344 1.014 1.00 15.00 C ATOM 327 C TYR A 496 1.164 -2.629 1.706 1.00 15.00 C ATOM 328 O TYR A 496 0.494 -2.583 2.740 1.00 15.00 O ATOM 329 CB TYR A 496 2.799 -0.667 1.783 1.00 15.00 C ATOM 330 CG TYR A 496 3.653 -1.610 2.617 1.00 15.00 C ATOM 331 CD1 TYR A 496 3.338 -1.891 3.944 1.00 15.00 C ATOM 332 CD2 TYR A 496 4.785 -2.210 2.076 1.00 15.00 C ATOM 333 CE1 TYR A 496 4.124 -2.743 4.701 1.00 15.00 C ATOM 334 CE2 TYR A 496 5.573 -3.057 2.828 1.00 15.00 C ATOM 335 CZ TYR A 496 5.239 -3.322 4.137 1.00 15.00 C ATOM 336 OH TYR A 496 6.026 -4.166 4.884 1.00 15.00 O ATOM 0 H TYR A 496 0.193 0.054 1.636 1.00 15.00 H new ATOM 0 HA TYR A 496 2.013 -1.663 0.039 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.442 -0.155 1.067 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.381 0.097 2.439 1.00 15.00 H new ATOM 0 HD1 TYR A 496 2.466 -1.437 4.390 1.00 15.00 H new ATOM 0 HD2 TYR A 496 5.052 -2.009 1.049 1.00 15.00 H new ATOM 0 HE1 TYR A 496 3.864 -2.952 5.728 1.00 15.00 H new ATOM 0 HE2 TYR A 496 6.450 -3.511 2.391 1.00 15.00 H new ATOM 0 HH TYR A 496 6.771 -4.489 4.336 1.00 15.00 H new ATOM 346 N ASP A 497 1.555 -3.775 1.124 1.00 15.00 N ATOM 347 CA ASP A 497 1.147 -5.108 1.602 1.00 15.00 C ATOM 348 C ASP A 497 2.176 -5.591 2.637 1.00 15.00 C ATOM 349 O ASP A 497 3.377 -5.511 2.378 1.00 15.00 O ATOM 350 CB ASP A 497 1.149 -6.114 0.458 1.00 15.00 C ATOM 351 CG ASP A 497 0.662 -7.478 0.905 1.00 15.00 C ATOM 352 OD1 ASP A 497 1.495 -8.295 1.345 1.00 15.00 O ATOM 353 OD2 ASP A 497 -0.556 -7.736 0.829 1.00 15.00 O ATOM 0 H ASP A 497 2.164 -3.804 0.307 1.00 15.00 H new ATOM 0 HA ASP A 497 0.146 -5.034 2.027 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.514 -5.748 -0.349 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.158 -6.203 0.054 1.00 15.00 H new ATOM 358 N HIS A 498 1.728 -6.120 3.774 1.00 15.00 N ATOM 359 CA HIS A 498 2.647 -6.468 4.871 1.00 15.00 C ATOM 360 C HIS A 498 3.206 -7.880 4.710 1.00 15.00 C ATOM 361 O HIS A 498 4.086 -8.291 5.464 1.00 15.00 O ATOM 362 CB HIS A 498 1.959 -6.377 6.247 1.00 15.00 C ATOM 363 CG HIS A 498 1.341 -5.048 6.568 1.00 15.00 C ATOM 364 ND1 HIS A 498 0.674 -4.304 5.637 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.223 -4.367 7.736 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.161 -3.245 6.191 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.478 -3.243 7.470 1.00 15.00 N ATOM 0 H HIS A 498 0.746 -6.318 3.965 1.00 15.00 H new ATOM 0 HA HIS A 498 3.459 -5.743 4.822 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.184 -7.142 6.299 1.00 15.00 H new ATOM 0 HB3 HIS A 498 2.692 -6.614 7.018 1.00 15.00 H new ATOM 0 HD1 HIS A 498 0.590 -4.544 4.649 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.636 -4.654 8.692 1.00 15.00 H new ATOM 0 HE1 HIS A 498 -0.427 -2.492 5.687 1.00 15.00 H new ATOM 376 N ASN A 499 2.695 -8.620 3.739 1.00 15.00 N ATOM 377 CA ASN A 499 3.076 -10.021 3.577 1.00 15.00 C ATOM 378 C ASN A 499 4.174 -10.146 2.536 1.00 15.00 C ATOM 379 O ASN A 499 5.177 -10.836 2.739 1.00 15.00 O ATOM 380 CB ASN A 499 1.874 -10.878 3.156 1.00 15.00 C ATOM 381 CG ASN A 499 0.634 -10.604 3.981 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.431 -11.192 5.044 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.216 -9.714 3.489 1.00 15.00 N ATOM 0 H ASN A 499 2.020 -8.281 3.054 1.00 15.00 H new ATOM 0 HA ASN A 499 3.439 -10.382 4.539 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.653 -10.692 2.105 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.137 -11.932 3.245 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.074 -9.495 3.994 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.012 -9.248 2.605 1.00 15.00 H new ATOM 390 N THR A 500 3.966 -9.484 1.411 1.00 15.00 N ATOM 391 CA THR A 500 4.931 -9.491 0.325 1.00 15.00 C ATOM 392 C THR A 500 5.848 -8.269 0.426 1.00 15.00 C ATOM 393 O THR A 500 6.818 -8.137 -0.325 1.00 15.00 O ATOM 394 CB THR A 500 4.203 -9.495 -1.038 1.00 15.00 C ATOM 395 OG1 THR A 500 3.135 -10.455 -1.013 1.00 15.00 O ATOM 396 CG2 THR A 500 5.153 -9.838 -2.175 1.00 15.00 C ATOM 0 H THR A 500 3.130 -8.930 1.225 1.00 15.00 H new ATOM 0 HA THR A 500 5.536 -10.394 0.402 1.00 15.00 H new ATOM 0 HB THR A 500 3.807 -8.494 -1.209 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.674 -10.454 -1.878 1.00 15.00 H new ATOM 0 HG21 THR A 500 4.608 -9.832 -3.119 1.00 15.00 H new ATOM 0 HG22 THR A 500 5.955 -9.101 -2.214 1.00 15.00 H new ATOM 0 HG23 THR A 500 5.578 -10.828 -2.008 1.00 15.00 H new ATOM 404 N LYS A 501 5.533 -7.390 1.381 1.00 15.00 N ATOM 405 CA LYS A 501 6.285 -6.153 1.601 1.00 15.00 C ATOM 406 C LYS A 501 6.268 -5.285 0.349 1.00 15.00 C ATOM 407 O LYS A 501 7.261 -4.639 0.010 1.00 15.00 O ATOM 408 CB LYS A 501 7.735 -6.445 1.997 1.00 15.00 C ATOM 409 CG LYS A 501 7.889 -7.222 3.293 1.00 15.00 C ATOM 410 CD LYS A 501 9.330 -7.180 3.776 1.00 15.00 C ATOM 411 CE LYS A 501 9.746 -5.760 4.134 1.00 15.00 C ATOM 412 NZ LYS A 501 11.189 -5.659 4.477 1.00 15.00 N ATOM 0 H LYS A 501 4.750 -7.516 2.023 1.00 15.00 H new ATOM 0 HA LYS A 501 5.801 -5.619 2.419 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.212 -7.005 1.193 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.271 -5.500 2.089 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.232 -6.802 4.055 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.581 -8.257 3.142 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.444 -7.826 4.646 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.989 -7.571 3.000 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.528 -5.099 3.295 1.00 15.00 H new ATOM 0 HE3 LYS A 501 9.150 -5.412 4.978 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 11.422 -4.673 4.713 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.395 -6.268 5.294 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.761 -5.965 3.664 1.00 15.00 H new ATOM 426 N THR A 502 5.128 -5.232 -0.315 1.00 15.00 N ATOM 427 CA THR A 502 5.036 -4.516 -1.571 1.00 15.00 C ATOM 428 C THR A 502 4.508 -3.103 -1.376 1.00 15.00 C ATOM 429 O THR A 502 3.354 -2.908 -0.989 1.00 15.00 O ATOM 430 CB THR A 502 4.142 -5.256 -2.583 1.00 15.00 C ATOM 431 OG1 THR A 502 2.924 -5.676 -1.953 1.00 15.00 O ATOM 432 CG2 THR A 502 4.861 -6.461 -3.165 1.00 15.00 C ATOM 0 H THR A 502 4.261 -5.672 -0.008 1.00 15.00 H new ATOM 0 HA THR A 502 6.050 -4.462 -1.968 1.00 15.00 H new ATOM 0 HB THR A 502 3.909 -4.567 -3.395 1.00 15.00 H new ATOM 0 HG1 THR A 502 2.362 -6.144 -2.606 1.00 15.00 H new ATOM 0 HG21 THR A 502 4.208 -6.966 -3.877 1.00 15.00 H new ATOM 0 HG22 THR A 502 5.767 -6.133 -3.674 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.125 -7.150 -2.363 1.00 15.00 H new ATOM 440 N THR A 503 5.359 -2.123 -1.636 1.00 15.00 N ATOM 441 CA THR A 503 4.933 -0.740 -1.689 1.00 15.00 C ATOM 442 C THR A 503 4.513 -0.417 -3.114 1.00 15.00 C ATOM 443 O THR A 503 5.307 -0.528 -4.049 1.00 15.00 O ATOM 444 CB THR A 503 6.058 0.221 -1.249 1.00 15.00 C ATOM 445 OG1 THR A 503 7.333 -0.412 -1.410 1.00 15.00 O ATOM 446 CG2 THR A 503 5.885 0.663 0.194 1.00 15.00 C ATOM 0 H THR A 503 6.353 -2.265 -1.814 1.00 15.00 H new ATOM 0 HA THR A 503 4.098 -0.606 -1.001 1.00 15.00 H new ATOM 0 HB THR A 503 6.004 1.107 -1.882 1.00 15.00 H new ATOM 0 HG1 THR A 503 8.042 0.204 -1.131 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.696 1.338 0.467 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.931 1.178 0.305 1.00 15.00 H new ATOM 0 HG23 THR A 503 5.904 -0.210 0.847 1.00 15.00 H new ATOM 454 N THR A 504 3.253 -0.063 -3.285 1.00 15.00 N ATOM 455 CA THR A 504 2.698 0.137 -4.606 1.00 15.00 C ATOM 456 C THR A 504 1.675 1.266 -4.556 1.00 15.00 C ATOM 457 O THR A 504 0.998 1.425 -3.557 1.00 15.00 O ATOM 458 CB THR A 504 2.048 -1.189 -5.087 1.00 15.00 C ATOM 459 OG1 THR A 504 2.068 -1.290 -6.514 1.00 15.00 O ATOM 460 CG2 THR A 504 0.615 -1.334 -4.599 1.00 15.00 C ATOM 0 H THR A 504 2.595 0.092 -2.522 1.00 15.00 H new ATOM 0 HA THR A 504 3.481 0.416 -5.311 1.00 15.00 H new ATOM 0 HB THR A 504 2.645 -1.994 -4.658 1.00 15.00 H new ATOM 0 HG1 THR A 504 2.511 -0.502 -6.892 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.201 -2.276 -4.960 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.599 -1.324 -3.509 1.00 15.00 H new ATOM 0 HG23 THR A 504 0.016 -0.506 -4.978 1.00 15.00 H new ATOM 468 N TRP A 505 1.578 2.077 -5.593 1.00 15.00 N ATOM 469 CA TRP A 505 0.551 3.111 -5.602 1.00 15.00 C ATOM 470 C TRP A 505 -0.642 2.592 -6.390 1.00 15.00 C ATOM 471 O TRP A 505 -1.726 3.174 -6.372 1.00 15.00 O ATOM 472 CB TRP A 505 1.038 4.423 -6.227 1.00 15.00 C ATOM 473 CG TRP A 505 2.505 4.697 -6.078 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.465 4.354 -6.988 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.196 5.381 -5.004 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.694 4.772 -6.565 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.560 5.405 -5.366 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.829 5.984 -3.775 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.529 5.990 -4.576 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.805 6.552 -3.011 1.00 15.00 C ATOM 481 CH2 TRP A 505 5.135 6.554 -3.411 1.00 15.00 C ATOM 0 H TRP A 505 2.176 2.047 -6.419 1.00 15.00 H new ATOM 0 HA TRP A 505 0.283 3.330 -4.568 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.793 4.414 -7.289 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.484 5.248 -5.779 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.278 3.827 -7.912 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.571 4.633 -7.066 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.799 5.993 -3.451 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.566 5.997 -4.877 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.537 7.012 -2.071 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.874 7.018 -2.775 1.00 15.00 H new ATOM 492 N GLU A 506 -0.406 1.501 -7.109 1.00 15.00 N ATOM 493 CA GLU A 506 -1.443 0.834 -7.873 1.00 15.00 C ATOM 494 C GLU A 506 -2.425 0.169 -6.918 1.00 15.00 C ATOM 495 O GLU A 506 -2.021 -0.458 -5.943 1.00 15.00 O ATOM 496 CB GLU A 506 -0.830 -0.216 -8.812 1.00 15.00 C ATOM 497 CG GLU A 506 0.316 0.306 -9.675 1.00 15.00 C ATOM 498 CD GLU A 506 1.675 0.144 -9.014 1.00 15.00 C ATOM 499 OE1 GLU A 506 2.012 0.946 -8.116 1.00 15.00 O ATOM 500 OE2 GLU A 506 2.408 -0.797 -9.378 1.00 15.00 O ATOM 0 H GLU A 506 0.510 1.057 -7.176 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.967 1.572 -8.480 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.468 -1.053 -8.215 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.612 -0.604 -9.464 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.316 -0.222 -10.628 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.148 1.360 -9.895 1.00 15.00 H new ATOM 507 N ASP A 507 -3.707 0.292 -7.225 1.00 15.00 N ATOM 508 CA ASP A 507 -4.770 -0.165 -6.336 1.00 15.00 C ATOM 509 C ASP A 507 -4.685 -1.666 -6.051 1.00 15.00 C ATOM 510 O ASP A 507 -4.946 -2.484 -6.908 1.00 15.00 O ATOM 511 CB ASP A 507 -6.126 0.202 -6.942 1.00 15.00 C ATOM 512 CG ASP A 507 -7.293 -0.122 -6.039 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.552 -1.309 -5.804 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.974 0.820 -5.576 1.00 15.00 O ATOM 0 H ASP A 507 -4.042 0.709 -8.093 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.650 0.337 -5.376 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.137 1.268 -7.170 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.249 -0.328 -7.887 1.00 15.00 H new ATOM 519 N PRO A 508 -4.356 -2.003 -4.799 1.00 15.00 N ATOM 520 CA PRO A 508 -4.132 -3.377 -4.291 1.00 15.00 C ATOM 521 C PRO A 508 -5.386 -4.168 -4.153 1.00 15.00 C ATOM 522 O PRO A 508 -5.359 -5.357 -3.865 1.00 15.00 O ATOM 523 CB PRO A 508 -3.500 -3.149 -2.943 1.00 15.00 C ATOM 524 CG PRO A 508 -4.101 -1.885 -2.494 1.00 15.00 C ATOM 525 CD PRO A 508 -4.205 -1.024 -3.712 1.00 15.00 C ATOM 0 HA PRO A 508 -3.520 -3.961 -4.979 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -3.718 -3.965 -2.254 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.415 -3.075 -3.015 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.082 -2.055 -2.051 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -3.485 -1.409 -1.731 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.058 -0.348 -3.656 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -3.317 -0.406 -3.846 1.00 15.00 H new ATOM 533 N ARG A 509 -6.489 -3.498 -4.324 1.00 15.00 N ATOM 534 CA ARG A 509 -7.756 -4.099 -4.164 1.00 15.00 C ATOM 535 C ARG A 509 -7.939 -4.864 -5.437 1.00 15.00 C ATOM 536 O ARG A 509 -8.889 -5.619 -5.635 1.00 15.00 O ATOM 537 CB ARG A 509 -8.799 -3.032 -3.880 1.00 15.00 C ATOM 538 CG ARG A 509 -8.274 -2.052 -2.837 1.00 15.00 C ATOM 539 CD ARG A 509 -9.314 -1.031 -2.417 1.00 15.00 C ATOM 540 NE ARG A 509 -9.538 -0.019 -3.445 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.548 0.848 -3.434 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.486 0.783 -2.490 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.621 1.778 -4.370 1.00 15.00 N ATOM 0 H ARG A 509 -6.521 -2.511 -4.580 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.853 -4.774 -3.314 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.046 -2.500 -4.799 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.718 -3.497 -3.524 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.940 -2.606 -1.960 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.403 -1.534 -3.238 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.253 -1.540 -2.199 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.993 -0.546 -1.495 1.00 15.00 H new ATOM 0 HE ARG A 509 -8.878 0.027 -4.222 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.434 0.065 -1.768 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.256 1.452 -2.490 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -9.906 1.829 -5.096 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.393 2.445 -4.367 1.00 15.00 H new ATOM 557 N LEU A 510 -6.988 -4.587 -6.333 1.00 15.00 N ATOM 558 CA LEU A 510 -6.858 -5.336 -7.539 1.00 15.00 C ATOM 559 C LEU A 510 -6.618 -6.812 -7.201 1.00 15.00 C ATOM 560 O LEU A 510 -6.990 -7.715 -7.950 1.00 15.00 O ATOM 561 CB LEU A 510 -5.705 -4.824 -8.445 1.00 15.00 C ATOM 562 CG LEU A 510 -4.254 -5.132 -7.972 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.816 -6.541 -8.351 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.260 -4.134 -8.546 1.00 15.00 C ATOM 0 H LEU A 510 -6.303 -3.839 -6.224 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.787 -5.212 -8.095 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -5.837 -5.253 -9.438 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -5.807 -3.744 -8.548 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.265 -5.049 -6.885 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.798 -6.712 -8.001 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.485 -7.267 -7.889 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -3.851 -6.654 -9.435 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.257 -4.378 -8.196 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.286 -4.180 -9.635 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.524 -3.128 -8.219 1.00 15.00 H new ATOM 701 N PRO B 205 4.874 1.774 5.792 1.00 15.00 N ATOM 702 CA PRO B 205 5.288 2.176 4.449 1.00 15.00 C ATOM 703 C PRO B 205 5.575 3.672 4.320 1.00 15.00 C ATOM 704 O PRO B 205 4.657 4.487 4.324 1.00 15.00 O ATOM 705 CB PRO B 205 4.076 1.815 3.576 1.00 15.00 C ATOM 706 CG PRO B 205 2.951 1.572 4.514 1.00 15.00 C ATOM 707 CD PRO B 205 3.566 1.121 5.793 1.00 15.00 C ATOM 0 HA PRO B 205 6.219 1.683 4.169 1.00 15.00 H new ATOM 0 HB2 PRO B 205 3.839 2.624 2.884 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.279 0.930 2.974 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.365 2.479 4.662 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.272 0.815 4.120 1.00 15.00 H new ATOM 0 HD2 PRO B 205 2.968 1.421 6.654 1.00 15.00 H new ATOM 0 HD3 PRO B 205 3.659 0.036 5.833 1.00 15.00 H new ATOM 715 N ASN B 206 6.855 4.028 4.302 1.00 15.00 N ATOM 716 CA ASN B 206 7.269 5.393 3.977 1.00 15.00 C ATOM 717 C ASN B 206 8.182 5.416 2.748 1.00 15.00 C ATOM 718 O ASN B 206 8.433 6.467 2.167 1.00 15.00 O ATOM 719 CB ASN B 206 7.940 6.065 5.178 1.00 15.00 C ATOM 720 CG ASN B 206 8.412 7.489 4.909 1.00 15.00 C ATOM 721 OD1 ASN B 206 9.452 7.910 5.417 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.642 8.250 4.145 1.00 15.00 N ATOM 0 H ASN B 206 7.625 3.392 4.508 1.00 15.00 H new ATOM 0 HA ASN B 206 6.373 5.964 3.734 1.00 15.00 H new ATOM 0 HB2 ASN B 206 7.239 6.077 6.013 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.794 5.463 5.488 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.904 9.218 3.961 1.00 15.00 H new ATOM 0 HD22 ASN B 206 6.787 7.867 3.741 1.00 15.00 H new ATOM 729 N LEU B 207 8.704 4.258 2.364 1.00 15.00 N ATOM 730 CA LEU B 207 9.570 4.176 1.192 1.00 15.00 C ATOM 731 C LEU B 207 8.747 4.315 -0.087 1.00 15.00 C ATOM 732 O LEU B 207 7.984 3.414 -0.448 1.00 15.00 O ATOM 733 CB LEU B 207 10.385 2.867 1.176 1.00 15.00 C ATOM 734 CG LEU B 207 9.580 1.556 1.202 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.431 0.407 0.682 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.091 1.241 2.609 1.00 15.00 C ATOM 0 H LEU B 207 8.546 3.370 2.841 1.00 15.00 H new ATOM 0 HA LEU B 207 10.280 5.001 1.245 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.010 2.866 0.283 1.00 15.00 H new ATOM 0 HB3 LEU B 207 11.056 2.872 2.035 1.00 15.00 H new ATOM 0 HG LEU B 207 8.711 1.682 0.556 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.850 -0.515 0.705 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.738 0.617 -0.343 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.315 0.295 1.310 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.525 0.309 2.598 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.946 1.138 3.277 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.451 2.050 2.961 1.00 15.00 H new