USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=6 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 -141:sc= -1.43 (180deg=-4.14!) USER MOD Single : A 490 ASN : amide:sc= -6.36! C(o=-6.4!,f=-21!) USER MOD Single : A 496 TYR OH : rot 180:sc=-0.00654 USER MOD Single : A 498 HIS : no HD1:sc= -8.04! C(o=-8!,f=-7.7!) USER MOD Single : A 499 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 500 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 504 THR OG1 : rot -48:sc= 0.338 USER MOD Single : B 206 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.928 0.267 2.823 1.00 15.00 N ATOM 30 CA PHE A 478 -10.824 0.604 1.400 1.00 15.00 C ATOM 31 C PHE A 478 -10.420 -0.720 0.805 1.00 15.00 C ATOM 32 O PHE A 478 -10.912 -1.207 -0.210 1.00 15.00 O ATOM 33 CB PHE A 478 -9.552 1.338 0.952 1.00 15.00 C ATOM 34 CG PHE A 478 -8.851 2.159 1.959 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.441 2.668 3.095 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.471 2.190 1.844 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.646 3.177 4.093 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.711 2.723 2.794 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.274 3.199 3.916 1.00 15.00 C ATOM 0 HA PHE A 478 -11.728 1.160 1.150 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.849 0.595 0.575 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -9.813 1.984 0.114 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.516 2.667 3.200 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.004 1.772 0.964 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.086 3.555 5.004 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.640 2.773 2.664 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.645 3.606 4.694 1.00 15.00 H new ATOM 49 N LEU A 479 -9.497 -1.290 1.586 1.00 15.00 N ATOM 50 CA LEU A 479 -8.261 -1.843 1.089 1.00 15.00 C ATOM 51 C LEU A 479 -8.047 -3.264 1.629 1.00 15.00 C ATOM 52 O LEU A 479 -8.432 -3.570 2.757 1.00 15.00 O ATOM 53 CB LEU A 479 -7.146 -0.811 1.505 1.00 15.00 C ATOM 54 CG LEU A 479 -5.782 -0.932 0.827 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.788 -0.131 -0.451 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.667 -0.407 1.709 1.00 15.00 C ATOM 0 H LEU A 479 -9.602 -1.375 2.597 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.250 -1.970 0.007 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.528 0.192 1.314 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.995 -0.895 2.581 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.604 -1.989 0.630 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.816 -0.215 -0.938 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.561 -0.514 -1.117 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.991 0.916 -0.224 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.714 -0.511 1.191 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.845 0.645 1.934 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.639 -0.977 2.638 1.00 15.00 H new ATOM 68 N PRO A 480 -7.421 -4.137 0.812 1.00 15.00 N ATOM 69 CA PRO A 480 -7.308 -5.588 1.088 1.00 15.00 C ATOM 70 C PRO A 480 -6.568 -5.906 2.402 1.00 15.00 C ATOM 71 O PRO A 480 -5.975 -5.022 3.018 1.00 15.00 O ATOM 72 CB PRO A 480 -6.489 -6.126 -0.095 1.00 15.00 C ATOM 73 CG PRO A 480 -6.385 -5.034 -1.106 1.00 15.00 C ATOM 74 CD PRO A 480 -6.745 -3.745 -0.435 1.00 15.00 C ATOM 0 HA PRO A 480 -8.296 -6.034 1.198 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.498 -6.437 0.236 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.971 -7.003 -0.527 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.374 -4.984 -1.510 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.054 -5.227 -1.945 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.858 -3.146 -0.231 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.399 -3.142 -1.065 1.00 15.00 H new ATOM 82 N PRO A 481 -6.558 -7.189 2.821 1.00 15.00 N ATOM 83 CA PRO A 481 -5.853 -7.635 4.041 1.00 15.00 C ATOM 84 C PRO A 481 -4.332 -7.799 3.856 1.00 15.00 C ATOM 85 O PRO A 481 -3.710 -8.652 4.491 1.00 15.00 O ATOM 86 CB PRO A 481 -6.505 -8.990 4.317 1.00 15.00 C ATOM 87 CG PRO A 481 -6.872 -9.509 2.974 1.00 15.00 C ATOM 88 CD PRO A 481 -7.267 -8.309 2.162 1.00 15.00 C ATOM 0 HA PRO A 481 -5.941 -6.907 4.847 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.818 -9.664 4.828 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -7.383 -8.885 4.955 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -6.033 -10.032 2.515 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -7.694 -10.222 3.042 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.967 -8.415 1.120 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -8.347 -8.159 2.169 1.00 15.00 H new ATOM 96 N GLY A 482 -3.737 -6.944 3.034 1.00 15.00 N ATOM 97 CA GLY A 482 -2.302 -6.971 2.800 1.00 15.00 C ATOM 98 C GLY A 482 -1.703 -5.676 3.198 1.00 15.00 C ATOM 99 O GLY A 482 -0.507 -5.498 3.134 1.00 15.00 O ATOM 0 H GLY A 482 -4.232 -6.219 2.515 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.847 -7.782 3.368 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -2.100 -7.167 1.747 1.00 15.00 H new ATOM 103 N TRP A 483 -2.544 -4.765 3.617 1.00 15.00 N ATOM 104 CA TRP A 483 -2.311 -3.406 3.244 1.00 15.00 C ATOM 105 C TRP A 483 -2.214 -2.414 4.366 1.00 15.00 C ATOM 106 O TRP A 483 -3.056 -2.331 5.257 1.00 15.00 O ATOM 107 CB TRP A 483 -3.376 -3.045 2.241 1.00 15.00 C ATOM 108 CG TRP A 483 -3.268 -3.954 1.078 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.986 -5.059 0.820 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.306 -3.891 0.071 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.511 -5.683 -0.292 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.507 -4.984 -0.762 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.304 -3.028 -0.220 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.764 -5.246 -1.840 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.542 -3.284 -1.308 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.763 -4.386 -2.118 1.00 15.00 C ATOM 0 H TRP A 483 -3.366 -4.935 4.196 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.310 -3.343 2.817 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.364 -3.128 2.694 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.258 -2.009 1.922 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.822 -5.403 1.411 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.875 -6.548 -0.692 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.119 -2.162 0.398 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.956 -6.108 -2.462 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.264 -2.608 -1.553 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.130 -4.557 -2.976 1.00 15.00 H new ATOM 127 N GLU A 484 -1.149 -1.652 4.252 1.00 15.00 N ATOM 128 CA GLU A 484 -0.867 -0.535 5.130 1.00 15.00 C ATOM 129 C GLU A 484 -0.978 0.728 4.296 1.00 15.00 C ATOM 130 O GLU A 484 -0.135 0.975 3.433 1.00 15.00 O ATOM 131 CB GLU A 484 0.553 -0.660 5.715 1.00 15.00 C ATOM 132 CG GLU A 484 0.869 0.229 6.899 1.00 15.00 C ATOM 133 CD GLU A 484 -0.218 0.263 7.953 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.722 -0.817 8.322 1.00 15.00 O ATOM 135 OE2 GLU A 484 -0.546 1.365 8.440 1.00 15.00 O ATOM 0 H GLU A 484 -0.440 -1.793 3.533 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.569 -0.513 5.963 1.00 15.00 H new ATOM 0 HB2 GLU A 484 0.711 -1.697 6.013 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.270 -0.444 4.923 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.796 -0.113 7.359 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.046 1.243 6.541 1.00 15.00 H new ATOM 142 N MET A 485 -2.032 1.494 4.507 1.00 15.00 N ATOM 143 CA MET A 485 -2.224 2.714 3.749 1.00 15.00 C ATOM 144 C MET A 485 -1.553 3.851 4.478 1.00 15.00 C ATOM 145 O MET A 485 -2.028 4.300 5.524 1.00 15.00 O ATOM 146 CB MET A 485 -3.703 3.028 3.562 1.00 15.00 C ATOM 147 CG MET A 485 -3.976 4.266 2.704 1.00 15.00 C ATOM 148 SD MET A 485 -3.883 5.819 3.623 1.00 15.00 S ATOM 149 CE MET A 485 -4.425 6.983 2.374 1.00 15.00 C ATOM 0 H MET A 485 -2.762 1.295 5.191 1.00 15.00 H new ATOM 0 HA MET A 485 -1.784 2.582 2.761 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.191 2.167 3.104 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.160 3.170 4.541 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.258 4.295 1.884 1.00 15.00 H new ATOM 0 HG3 MET A 485 -4.966 4.177 2.257 1.00 15.00 H new ATOM 0 HE1 MET A 485 -3.835 7.896 2.447 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.293 6.544 1.385 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.478 7.218 2.528 1.00 15.00 H new ATOM 159 N ARG A 486 -0.413 4.276 3.973 1.00 15.00 N ATOM 160 CA ARG A 486 0.261 5.406 4.564 1.00 15.00 C ATOM 161 C ARG A 486 0.385 6.516 3.540 1.00 15.00 C ATOM 162 O ARG A 486 0.979 6.351 2.484 1.00 15.00 O ATOM 163 CB ARG A 486 1.639 5.031 5.126 1.00 15.00 C ATOM 164 CG ARG A 486 1.654 3.738 5.917 1.00 15.00 C ATOM 165 CD ARG A 486 0.713 3.790 7.108 1.00 15.00 C ATOM 166 NE ARG A 486 1.134 4.766 8.110 1.00 15.00 N ATOM 167 CZ ARG A 486 0.893 4.636 9.411 1.00 15.00 C ATOM 168 NH1 ARG A 486 0.205 3.589 9.858 1.00 15.00 N ATOM 169 NH2 ARG A 486 1.330 5.556 10.258 1.00 15.00 N ATOM 0 H ARG A 486 0.057 3.862 3.168 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.339 5.752 5.406 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.346 4.947 4.300 1.00 15.00 H new ATOM 0 HB3 ARG A 486 1.991 5.840 5.766 1.00 15.00 H new ATOM 0 HG2 ARG A 486 1.370 2.911 5.266 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.668 3.537 6.264 1.00 15.00 H new ATOM 0 HD2 ARG A 486 -0.291 4.038 6.763 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.658 2.803 7.567 1.00 15.00 H new ATOM 0 HE ARG A 486 1.641 5.593 7.794 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -0.137 2.886 9.203 1.00 15.00 H new ATOM 0 HH12 ARG A 486 0.020 3.489 10.856 1.00 15.00 H new ATOM 0 HH21 ARG A 486 1.850 6.362 9.912 1.00 15.00 H new ATOM 0 HH22 ARG A 486 1.146 5.458 11.257 1.00 15.00 H new ATOM 183 N ILE A 487 -0.232 7.620 3.857 1.00 15.00 N ATOM 184 CA ILE A 487 -0.131 8.839 3.085 1.00 15.00 C ATOM 185 C ILE A 487 1.034 9.646 3.607 1.00 15.00 C ATOM 186 O ILE A 487 1.116 9.980 4.792 1.00 15.00 O ATOM 187 CB ILE A 487 -1.455 9.606 3.101 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.265 11.043 2.584 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.087 9.539 4.478 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.528 11.880 2.639 1.00 15.00 C ATOM 0 H ILE A 487 -0.834 7.705 4.676 1.00 15.00 H new ATOM 0 HA ILE A 487 0.062 8.612 2.037 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.155 9.131 2.414 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.489 11.532 3.173 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.908 11.006 1.555 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.028 10.089 4.474 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.276 8.498 4.741 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.412 9.981 5.210 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.319 12.880 2.259 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.300 11.414 2.027 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.874 11.949 3.670 1.00 15.00 H new ATOM 202 N ALA A 488 1.937 9.930 2.696 1.00 15.00 N ATOM 203 CA ALA A 488 3.257 10.399 3.021 1.00 15.00 C ATOM 204 C ALA A 488 3.258 11.909 3.110 1.00 15.00 C ATOM 205 O ALA A 488 2.449 12.558 2.451 1.00 15.00 O ATOM 206 CB ALA A 488 4.246 9.982 1.959 1.00 15.00 C ATOM 0 H ALA A 488 1.768 9.839 1.694 1.00 15.00 H new ATOM 0 HA ALA A 488 3.545 9.964 3.978 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.239 10.346 2.223 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.266 8.895 1.887 1.00 15.00 H new ATOM 0 HB3 ALA A 488 3.948 10.404 0.999 1.00 15.00 H new ATOM 212 N PRO A 489 4.134 12.486 3.939 1.00 15.00 N ATOM 213 CA PRO A 489 4.256 13.943 4.079 1.00 15.00 C ATOM 214 C PRO A 489 4.555 14.677 2.758 1.00 15.00 C ATOM 215 O PRO A 489 4.714 15.897 2.760 1.00 15.00 O ATOM 216 CB PRO A 489 5.422 14.121 5.064 1.00 15.00 C ATOM 217 CG PRO A 489 6.124 12.807 5.091 1.00 15.00 C ATOM 218 CD PRO A 489 5.076 11.773 4.813 1.00 15.00 C ATOM 0 HA PRO A 489 3.314 14.376 4.417 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.092 14.917 4.739 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.060 14.393 6.056 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.915 12.772 4.342 1.00 15.00 H new ATOM 0 HG3 PRO A 489 6.594 12.636 6.059 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.496 10.894 4.323 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.596 11.428 5.729 1.00 15.00 H new ATOM 226 N ASN A 490 4.637 13.955 1.634 1.00 15.00 N ATOM 227 CA ASN A 490 4.810 14.596 0.338 1.00 15.00 C ATOM 228 C ASN A 490 3.486 14.561 -0.431 1.00 15.00 C ATOM 229 O ASN A 490 3.327 15.240 -1.447 1.00 15.00 O ATOM 230 CB ASN A 490 5.935 13.930 -0.478 1.00 15.00 C ATOM 231 CG ASN A 490 5.787 12.429 -0.507 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.717 11.919 -0.205 1.00 15.00 O ATOM 233 ND2 ASN A 490 6.825 11.696 -0.887 1.00 15.00 N ATOM 0 H ASN A 490 4.586 12.937 1.602 1.00 15.00 H new ATOM 0 HA ASN A 490 5.103 15.633 0.502 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.924 14.317 -1.497 1.00 15.00 H new ATOM 0 HB3 ASN A 490 6.901 14.193 -0.048 1.00 15.00 H new ATOM 0 HD21 ASN A 490 6.743 10.680 -0.933 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.706 12.148 -1.133 1.00 15.00 H new ATOM 240 N GLY A 491 2.552 13.731 0.048 1.00 15.00 N ATOM 241 CA GLY A 491 1.290 13.534 -0.639 1.00 15.00 C ATOM 242 C GLY A 491 1.196 12.154 -1.260 1.00 15.00 C ATOM 243 O GLY A 491 0.467 11.948 -2.229 1.00 15.00 O ATOM 0 H GLY A 491 2.655 13.191 0.907 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.468 13.673 0.063 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.177 14.290 -1.416 1.00 15.00 H new ATOM 247 N ARG A 492 1.936 11.203 -0.699 1.00 15.00 N ATOM 248 CA ARG A 492 2.016 9.864 -1.271 1.00 15.00 C ATOM 249 C ARG A 492 1.410 8.795 -0.369 1.00 15.00 C ATOM 250 O ARG A 492 2.015 8.389 0.607 1.00 15.00 O ATOM 251 CB ARG A 492 3.471 9.499 -1.555 1.00 15.00 C ATOM 252 CG ARG A 492 4.131 10.383 -2.587 1.00 15.00 C ATOM 253 CD ARG A 492 4.998 9.620 -3.572 1.00 15.00 C ATOM 254 NE ARG A 492 6.380 9.528 -3.109 1.00 15.00 N ATOM 255 CZ ARG A 492 7.447 9.676 -3.896 1.00 15.00 C ATOM 256 NH1 ARG A 492 7.302 9.808 -5.210 1.00 15.00 N ATOM 257 NH2 ARG A 492 8.664 9.686 -3.367 1.00 15.00 N ATOM 0 H ARG A 492 2.487 11.334 0.149 1.00 15.00 H new ATOM 0 HA ARG A 492 1.437 9.890 -2.194 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.038 9.555 -0.626 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.517 8.464 -1.894 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.361 10.924 -3.136 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.743 11.128 -2.078 1.00 15.00 H new ATOM 0 HD2 ARG A 492 4.593 8.618 -3.714 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.970 10.116 -4.542 1.00 15.00 H new ATOM 0 HE ARG A 492 6.540 9.338 -2.120 1.00 15.00 H new ATOM 0 HH11 ARG A 492 6.370 9.797 -5.624 1.00 15.00 H new ATOM 0 HH12 ARG A 492 8.123 9.921 -5.805 1.00 15.00 H new ATOM 0 HH21 ARG A 492 8.783 9.581 -2.359 1.00 15.00 H new ATOM 0 HH22 ARG A 492 9.480 9.799 -3.968 1.00 15.00 H new ATOM 271 N PRO A 493 0.207 8.320 -0.685 1.00 15.00 N ATOM 272 CA PRO A 493 -0.384 7.157 -0.027 1.00 15.00 C ATOM 273 C PRO A 493 0.006 5.899 -0.731 1.00 15.00 C ATOM 274 O PRO A 493 -0.479 5.571 -1.817 1.00 15.00 O ATOM 275 CB PRO A 493 -1.891 7.429 -0.124 1.00 15.00 C ATOM 276 CG PRO A 493 -1.974 8.821 -0.654 1.00 15.00 C ATOM 277 CD PRO A 493 -0.775 8.958 -1.542 1.00 15.00 C ATOM 0 HA PRO A 493 -0.053 7.020 1.003 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.383 6.719 -0.789 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.375 7.343 0.849 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.899 8.980 -1.209 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.956 9.554 0.152 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.897 8.448 -2.498 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.530 9.997 -1.764 1.00 15.00 H new ATOM 285 N PHE A 494 0.962 5.230 -0.108 1.00 15.00 N ATOM 286 CA PHE A 494 1.600 4.115 -0.706 1.00 15.00 C ATOM 287 C PHE A 494 0.715 2.976 -0.241 1.00 15.00 C ATOM 288 O PHE A 494 0.549 2.812 0.971 1.00 15.00 O ATOM 289 CB PHE A 494 2.957 3.838 -0.063 1.00 15.00 C ATOM 290 CG PHE A 494 3.667 5.017 0.550 1.00 15.00 C ATOM 291 CD1 PHE A 494 4.482 5.897 -0.132 1.00 15.00 C ATOM 292 CD2 PHE A 494 3.517 5.190 1.912 1.00 15.00 C ATOM 293 CE1 PHE A 494 5.140 6.906 0.554 1.00 15.00 C ATOM 294 CE2 PHE A 494 4.148 6.177 2.587 1.00 15.00 C ATOM 295 CZ PHE A 494 4.976 7.032 1.923 1.00 15.00 C ATOM 0 H PHE A 494 1.303 5.460 0.825 1.00 15.00 H new ATOM 0 HA PHE A 494 1.736 4.251 -1.779 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.819 3.083 0.711 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.610 3.403 -0.820 1.00 15.00 H new ATOM 0 HD1 PHE A 494 4.607 5.800 -1.200 1.00 15.00 H new ATOM 0 HD2 PHE A 494 2.874 4.514 2.456 1.00 15.00 H new ATOM 0 HE1 PHE A 494 5.780 7.593 0.021 1.00 15.00 H new ATOM 0 HE2 PHE A 494 3.996 6.288 3.651 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.502 7.805 2.463 1.00 15.00 H new ATOM 305 N PHE A 495 0.123 2.213 -1.109 1.00 15.00 N ATOM 306 CA PHE A 495 -0.651 1.098 -0.617 1.00 15.00 C ATOM 307 C PHE A 495 0.311 -0.096 -0.527 1.00 15.00 C ATOM 308 O PHE A 495 0.749 -0.615 -1.555 1.00 15.00 O ATOM 309 CB PHE A 495 -1.819 0.763 -1.550 1.00 15.00 C ATOM 310 CG PHE A 495 -2.855 1.850 -1.671 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.232 2.601 -0.570 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.447 2.122 -2.894 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.180 3.600 -0.687 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.394 3.120 -3.017 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.761 3.860 -1.912 1.00 15.00 C ATOM 0 H PHE A 495 0.152 2.327 -2.122 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.086 1.341 0.352 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.424 0.544 -2.542 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.304 -0.145 -1.192 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.780 2.404 0.391 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.164 1.546 -3.763 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.466 4.177 0.180 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -4.847 3.321 -3.977 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.501 4.641 -2.005 1.00 15.00 H new ATOM 325 N TYR A 496 0.706 -0.489 0.683 1.00 15.00 N ATOM 326 CA TYR A 496 1.765 -1.497 0.839 1.00 15.00 C ATOM 327 C TYR A 496 1.245 -2.850 1.344 1.00 15.00 C ATOM 328 O TYR A 496 0.585 -2.930 2.382 1.00 15.00 O ATOM 329 CB TYR A 496 2.886 -0.945 1.742 1.00 15.00 C ATOM 330 CG TYR A 496 3.642 -1.997 2.546 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.770 -2.630 2.030 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.230 -2.351 3.827 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.455 -3.579 2.766 1.00 15.00 C ATOM 334 CE2 TYR A 496 3.912 -3.299 4.565 1.00 15.00 C ATOM 335 CZ TYR A 496 5.022 -3.910 4.031 1.00 15.00 C ATOM 336 OH TYR A 496 5.695 -4.861 4.762 1.00 15.00 O ATOM 0 H TYR A 496 0.320 -0.135 1.558 1.00 15.00 H new ATOM 0 HA TYR A 496 2.172 -1.696 -0.152 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.599 -0.403 1.121 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.452 -0.223 2.434 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.115 -2.375 1.039 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.359 -1.875 4.253 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.328 -4.060 2.350 1.00 15.00 H new ATOM 0 HE2 TYR A 496 3.575 -3.559 5.557 1.00 15.00 H new ATOM 0 HH TYR A 496 5.259 -4.974 5.632 1.00 15.00 H new ATOM 346 N ASP A 497 1.594 -3.913 0.599 1.00 15.00 N ATOM 347 CA ASP A 497 1.188 -5.294 0.908 1.00 15.00 C ATOM 348 C ASP A 497 2.259 -5.903 1.824 1.00 15.00 C ATOM 349 O ASP A 497 3.435 -5.874 1.469 1.00 15.00 O ATOM 350 CB ASP A 497 1.138 -6.140 -0.364 1.00 15.00 C ATOM 351 CG ASP A 497 0.664 -7.555 -0.091 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.561 -7.781 -0.031 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.519 -8.451 0.067 1.00 15.00 O ATOM 0 H ASP A 497 2.169 -3.837 -0.240 1.00 15.00 H new ATOM 0 HA ASP A 497 0.203 -5.281 1.374 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.472 -5.668 -1.086 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.129 -6.171 -0.817 1.00 15.00 H new ATOM 358 N HIS A 498 1.887 -6.458 2.975 1.00 15.00 N ATOM 359 CA HIS A 498 2.888 -6.909 3.960 1.00 15.00 C ATOM 360 C HIS A 498 3.443 -8.280 3.596 1.00 15.00 C ATOM 361 O HIS A 498 4.500 -8.680 4.083 1.00 15.00 O ATOM 362 CB HIS A 498 2.323 -6.984 5.393 1.00 15.00 C ATOM 363 CG HIS A 498 1.623 -5.747 5.880 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.108 -4.804 5.033 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.254 -5.364 7.124 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.434 -3.920 5.711 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.511 -4.216 6.992 1.00 15.00 N ATOM 0 H HIS A 498 0.917 -6.608 3.253 1.00 15.00 H new ATOM 0 HA HIS A 498 3.680 -6.161 3.934 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.625 -7.820 5.446 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.142 -7.209 6.076 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.498 -5.867 8.048 1.00 15.00 H new ATOM 0 HE1 HIS A 498 -0.101 -3.081 5.291 1.00 15.00 H new ATOM 0 HE2 HIS A 498 0.091 -3.684 7.755 1.00 15.00 H new ATOM 376 N ASN A 499 2.720 -9.006 2.757 1.00 15.00 N ATOM 377 CA ASN A 499 3.109 -10.367 2.411 1.00 15.00 C ATOM 378 C ASN A 499 4.120 -10.355 1.279 1.00 15.00 C ATOM 379 O ASN A 499 5.040 -11.172 1.234 1.00 15.00 O ATOM 380 CB ASN A 499 1.887 -11.197 2.016 1.00 15.00 C ATOM 381 CG ASN A 499 0.886 -11.340 3.146 1.00 15.00 C ATOM 382 OD1 ASN A 499 1.256 -11.413 4.315 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.393 -11.350 2.801 1.00 15.00 N ATOM 0 H ASN A 499 1.866 -8.679 2.305 1.00 15.00 H new ATOM 0 HA ASN A 499 3.567 -10.824 3.288 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.398 -10.732 1.160 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.213 -12.187 1.698 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -1.114 -11.420 3.519 1.00 15.00 H new ATOM 0 HD22 ASN A 499 -0.656 -11.287 1.818 1.00 15.00 H new ATOM 390 N THR A 500 3.921 -9.433 0.355 1.00 15.00 N ATOM 391 CA THR A 500 4.825 -9.254 -0.763 1.00 15.00 C ATOM 392 C THR A 500 5.854 -8.172 -0.425 1.00 15.00 C ATOM 393 O THR A 500 6.859 -8.004 -1.123 1.00 15.00 O ATOM 394 CB THR A 500 4.036 -8.861 -2.030 1.00 15.00 C ATOM 395 OG1 THR A 500 2.787 -9.572 -2.055 1.00 15.00 O ATOM 396 CG2 THR A 500 4.824 -9.187 -3.288 1.00 15.00 C ATOM 0 H THR A 500 3.130 -8.789 0.359 1.00 15.00 H new ATOM 0 HA THR A 500 5.344 -10.193 -0.955 1.00 15.00 H new ATOM 0 HB THR A 500 3.857 -7.786 -2.003 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.165 -9.164 -1.417 1.00 15.00 H new ATOM 0 HG21 THR A 500 4.244 -8.900 -4.165 1.00 15.00 H new ATOM 0 HG22 THR A 500 5.766 -8.638 -3.280 1.00 15.00 H new ATOM 0 HG23 THR A 500 5.028 -10.257 -3.323 1.00 15.00 H new ATOM 404 N LYS A 501 5.574 -7.446 0.664 1.00 15.00 N ATOM 405 CA LYS A 501 6.455 -6.392 1.183 1.00 15.00 C ATOM 406 C LYS A 501 6.651 -5.283 0.162 1.00 15.00 C ATOM 407 O LYS A 501 7.650 -4.568 0.190 1.00 15.00 O ATOM 408 CB LYS A 501 7.811 -6.970 1.581 1.00 15.00 C ATOM 409 CG LYS A 501 7.725 -8.104 2.586 1.00 15.00 C ATOM 410 CD LYS A 501 9.106 -8.613 2.953 1.00 15.00 C ATOM 411 CE LYS A 501 9.028 -9.808 3.885 1.00 15.00 C ATOM 412 NZ LYS A 501 10.373 -10.359 4.191 1.00 15.00 N ATOM 0 H LYS A 501 4.724 -7.574 1.214 1.00 15.00 H new ATOM 0 HA LYS A 501 5.974 -5.969 2.065 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.319 -7.329 0.686 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.426 -6.173 1.999 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.210 -7.761 3.483 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.132 -8.919 2.170 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.645 -8.891 2.047 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.674 -7.815 3.430 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.536 -9.514 4.812 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.412 -10.584 3.430 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.277 -11.174 4.830 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 10.832 -10.663 3.309 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 10.952 -9.626 4.648 1.00 15.00 H new ATOM 426 N THR A 502 5.671 -5.101 -0.699 1.00 15.00 N ATOM 427 CA THR A 502 5.796 -4.145 -1.778 1.00 15.00 C ATOM 428 C THR A 502 5.005 -2.873 -1.496 1.00 15.00 C ATOM 429 O THR A 502 3.838 -2.915 -1.098 1.00 15.00 O ATOM 430 CB THR A 502 5.346 -4.756 -3.127 1.00 15.00 C ATOM 431 OG1 THR A 502 5.462 -3.787 -4.179 1.00 15.00 O ATOM 432 CG2 THR A 502 3.911 -5.265 -3.056 1.00 15.00 C ATOM 0 H THR A 502 4.782 -5.601 -0.672 1.00 15.00 H new ATOM 0 HA THR A 502 6.852 -3.885 -1.848 1.00 15.00 H new ATOM 0 HB THR A 502 6.000 -5.601 -3.339 1.00 15.00 H new ATOM 0 HG1 THR A 502 5.176 -4.188 -5.026 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.627 -5.688 -4.020 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.835 -6.033 -2.286 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.244 -4.439 -2.811 1.00 15.00 H new ATOM 440 N THR A 503 5.665 -1.742 -1.681 1.00 15.00 N ATOM 441 CA THR A 503 5.005 -0.456 -1.689 1.00 15.00 C ATOM 442 C THR A 503 4.579 -0.152 -3.119 1.00 15.00 C ATOM 443 O THR A 503 5.403 -0.183 -4.031 1.00 15.00 O ATOM 444 CB THR A 503 5.948 0.651 -1.168 1.00 15.00 C ATOM 445 OG1 THR A 503 7.296 0.371 -1.566 1.00 15.00 O ATOM 446 CG2 THR A 503 5.885 0.773 0.344 1.00 15.00 C ATOM 0 H THR A 503 6.673 -1.694 -1.829 1.00 15.00 H new ATOM 0 HA THR A 503 4.136 -0.485 -1.031 1.00 15.00 H new ATOM 0 HB THR A 503 5.620 1.596 -1.601 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.888 1.078 -1.235 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.561 1.561 0.674 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.867 1.018 0.647 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.181 -0.173 0.798 1.00 15.00 H new ATOM 454 N THR A 504 3.300 0.089 -3.332 1.00 15.00 N ATOM 455 CA THR A 504 2.800 0.306 -4.675 1.00 15.00 C ATOM 456 C THR A 504 1.742 1.405 -4.664 1.00 15.00 C ATOM 457 O THR A 504 1.065 1.607 -3.661 1.00 15.00 O ATOM 458 CB THR A 504 2.229 -1.015 -5.257 1.00 15.00 C ATOM 459 OG1 THR A 504 2.453 -1.082 -6.675 1.00 15.00 O ATOM 460 CG2 THR A 504 0.739 -1.171 -4.968 1.00 15.00 C ATOM 0 H THR A 504 2.593 0.139 -2.598 1.00 15.00 H new ATOM 0 HA THR A 504 3.621 0.627 -5.316 1.00 15.00 H new ATOM 0 HB THR A 504 2.756 -1.832 -4.765 1.00 15.00 H new ATOM 0 HG1 THR A 504 2.180 -0.237 -7.090 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.382 -2.109 -5.393 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.576 -1.176 -3.890 1.00 15.00 H new ATOM 0 HG23 THR A 504 0.193 -0.339 -5.414 1.00 15.00 H new ATOM 468 N TRP A 505 1.619 2.140 -5.756 1.00 15.00 N ATOM 469 CA TRP A 505 0.616 3.191 -5.833 1.00 15.00 C ATOM 470 C TRP A 505 -0.605 2.671 -6.582 1.00 15.00 C ATOM 471 O TRP A 505 -1.645 3.324 -6.648 1.00 15.00 O ATOM 472 CB TRP A 505 1.165 4.420 -6.551 1.00 15.00 C ATOM 473 CG TRP A 505 2.606 4.724 -6.257 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.666 4.469 -7.078 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.152 5.348 -5.082 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.830 4.906 -6.500 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.541 5.452 -5.283 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.615 5.842 -3.881 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.391 6.023 -4.350 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.467 6.402 -2.961 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.838 6.493 -3.199 1.00 15.00 C ATOM 0 H TRP A 505 2.193 2.032 -6.592 1.00 15.00 H new ATOM 0 HA TRP A 505 0.339 3.479 -4.819 1.00 15.00 H new ATOM 0 HB2 TRP A 505 1.049 4.279 -7.626 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.561 5.285 -6.276 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.598 3.992 -8.044 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.760 4.835 -6.912 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.554 5.782 -3.686 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.454 6.093 -4.530 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.066 6.780 -2.032 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.475 6.946 -2.454 1.00 15.00 H new ATOM 492 N GLU A 506 -0.434 1.496 -7.169 1.00 15.00 N ATOM 493 CA GLU A 506 -1.458 0.845 -7.972 1.00 15.00 C ATOM 494 C GLU A 506 -2.523 0.228 -7.078 1.00 15.00 C ATOM 495 O GLU A 506 -2.228 -0.197 -5.959 1.00 15.00 O ATOM 496 CB GLU A 506 -0.814 -0.239 -8.844 1.00 15.00 C ATOM 497 CG GLU A 506 0.011 0.296 -10.012 1.00 15.00 C ATOM 498 CD GLU A 506 1.042 1.330 -9.601 1.00 15.00 C ATOM 499 OE1 GLU A 506 1.862 1.042 -8.698 1.00 15.00 O ATOM 500 OE2 GLU A 506 1.015 2.447 -10.162 1.00 15.00 O ATOM 0 H GLU A 506 0.432 0.961 -7.100 1.00 15.00 H new ATOM 0 HA GLU A 506 -1.932 1.590 -8.611 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.173 -0.859 -8.217 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.599 -0.886 -9.236 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.518 -0.537 -10.500 1.00 15.00 H new ATOM 0 HG3 GLU A 506 -0.660 0.737 -10.749 1.00 15.00 H new ATOM 507 N ASP A 507 -3.748 0.161 -7.587 1.00 15.00 N ATOM 508 CA ASP A 507 -4.876 -0.341 -6.811 1.00 15.00 C ATOM 509 C ASP A 507 -4.654 -1.793 -6.369 1.00 15.00 C ATOM 510 O ASP A 507 -4.583 -2.711 -7.167 1.00 15.00 O ATOM 511 CB ASP A 507 -6.194 -0.192 -7.582 1.00 15.00 C ATOM 512 CG ASP A 507 -6.328 -1.133 -8.764 1.00 15.00 C ATOM 513 OD1 ASP A 507 -5.632 -0.928 -9.784 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.154 -2.064 -8.686 1.00 15.00 O ATOM 0 H ASP A 507 -3.986 0.449 -8.536 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.947 0.269 -5.910 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -7.025 -0.364 -6.898 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.281 0.835 -7.937 1.00 15.00 H new ATOM 519 N PRO A 508 -4.532 -1.988 -5.061 1.00 15.00 N ATOM 520 CA PRO A 508 -4.276 -3.280 -4.418 1.00 15.00 C ATOM 521 C PRO A 508 -5.509 -4.088 -4.295 1.00 15.00 C ATOM 522 O PRO A 508 -5.492 -5.242 -3.926 1.00 15.00 O ATOM 523 CB PRO A 508 -3.764 -2.917 -3.039 1.00 15.00 C ATOM 524 CG PRO A 508 -3.820 -1.433 -2.960 1.00 15.00 C ATOM 525 CD PRO A 508 -4.695 -0.947 -4.062 1.00 15.00 C ATOM 0 HA PRO A 508 -3.575 -3.881 -4.998 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.378 -3.373 -2.262 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.746 -3.278 -2.893 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -4.213 -1.117 -1.994 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.820 -1.008 -3.052 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.733 -0.846 -3.744 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.379 0.028 -4.434 1.00 15.00 H new ATOM 533 N ARG A 509 -6.590 -3.459 -4.582 1.00 15.00 N ATOM 534 CA ARG A 509 -7.852 -4.023 -4.342 1.00 15.00 C ATOM 535 C ARG A 509 -8.071 -4.951 -5.492 1.00 15.00 C ATOM 536 O ARG A 509 -9.022 -5.728 -5.546 1.00 15.00 O ATOM 537 CB ARG A 509 -8.866 -2.912 -4.141 1.00 15.00 C ATOM 538 CG ARG A 509 -8.309 -1.862 -3.177 1.00 15.00 C ATOM 539 CD ARG A 509 -9.381 -0.924 -2.652 1.00 15.00 C ATOM 540 NE ARG A 509 -10.166 -0.310 -3.720 1.00 15.00 N ATOM 541 CZ ARG A 509 -11.498 -0.324 -3.760 1.00 15.00 C ATOM 542 NH1 ARG A 509 -12.187 -0.889 -2.774 1.00 15.00 N ATOM 543 NH2 ARG A 509 -12.138 0.246 -4.769 1.00 15.00 N ATOM 0 H ARG A 509 -6.615 -2.527 -4.995 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.948 -4.605 -3.425 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.104 -2.448 -5.098 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.795 -3.323 -3.746 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.828 -2.364 -2.338 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.539 -1.280 -3.684 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.047 -1.475 -1.988 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.913 -0.141 -2.055 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.667 0.156 -4.478 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.696 -1.312 -1.986 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -13.206 -0.899 -2.805 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -11.612 0.697 -5.517 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -13.158 0.234 -4.798 1.00 15.00 H new ATOM 557 N LEU A 510 -7.146 -4.817 -6.449 1.00 15.00 N ATOM 558 CA LEU A 510 -7.147 -5.673 -7.590 1.00 15.00 C ATOM 559 C LEU A 510 -6.827 -7.123 -7.173 1.00 15.00 C ATOM 560 O LEU A 510 -7.286 -8.086 -7.788 1.00 15.00 O ATOM 561 CB LEU A 510 -6.167 -5.194 -8.693 1.00 15.00 C ATOM 562 CG LEU A 510 -4.661 -5.473 -8.468 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.289 -6.905 -8.825 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.809 -4.514 -9.281 1.00 15.00 C ATOM 0 H LEU A 510 -6.400 -4.121 -6.436 1.00 15.00 H new ATOM 0 HA LEU A 510 -8.149 -5.636 -8.018 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.461 -5.661 -9.633 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.297 -4.119 -8.817 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.467 -5.323 -7.406 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.224 -7.058 -8.652 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.860 -7.595 -8.204 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.517 -7.089 -9.875 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.754 -4.728 -9.108 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -4.035 -4.635 -10.340 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.026 -3.489 -8.979 1.00 15.00 H new ATOM 701 N PRO B 205 5.021 1.394 6.370 1.00 15.00 N ATOM 702 CA PRO B 205 5.617 1.634 5.048 1.00 15.00 C ATOM 703 C PRO B 205 5.669 3.113 4.654 1.00 15.00 C ATOM 704 O PRO B 205 4.636 3.741 4.434 1.00 15.00 O ATOM 705 CB PRO B 205 4.672 0.893 4.096 1.00 15.00 C ATOM 706 CG PRO B 205 3.417 0.695 4.864 1.00 15.00 C ATOM 707 CD PRO B 205 3.848 0.514 6.281 1.00 15.00 C ATOM 0 HA PRO B 205 6.654 1.299 5.026 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.492 1.473 3.191 1.00 15.00 H new ATOM 0 HB3 PRO B 205 5.097 -0.061 3.784 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.753 1.553 4.761 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.869 -0.176 4.505 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.067 0.806 6.983 1.00 15.00 H new ATOM 0 HD3 PRO B 205 4.101 -0.524 6.499 1.00 15.00 H new ATOM 715 N ASN B 206 6.878 3.670 4.628 1.00 15.00 N ATOM 716 CA ASN B 206 7.097 5.028 4.128 1.00 15.00 C ATOM 717 C ASN B 206 8.068 5.003 2.941 1.00 15.00 C ATOM 718 O ASN B 206 8.212 5.989 2.224 1.00 15.00 O ATOM 719 CB ASN B 206 7.602 5.939 5.257 1.00 15.00 C ATOM 720 CG ASN B 206 7.398 7.435 5.029 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.254 8.193 5.988 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.391 7.882 3.784 1.00 15.00 N ATOM 0 H ASN B 206 7.725 3.201 4.948 1.00 15.00 H new ATOM 0 HA ASN B 206 6.150 5.437 3.775 1.00 15.00 H new ATOM 0 HB2 ASN B 206 7.098 5.657 6.182 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.666 5.752 5.404 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.264 8.877 3.600 1.00 15.00 H new ATOM 0 HD22 ASN B 206 7.513 7.231 3.008 1.00 15.00 H new ATOM 729 N LEU B 207 8.766 3.882 2.763 1.00 15.00 N ATOM 730 CA LEU B 207 9.690 3.727 1.639 1.00 15.00 C ATOM 731 C LEU B 207 8.957 3.932 0.310 1.00 15.00 C ATOM 732 O LEU B 207 8.122 3.116 -0.090 1.00 15.00 O ATOM 733 CB LEU B 207 10.392 2.355 1.661 1.00 15.00 C ATOM 734 CG LEU B 207 9.485 1.115 1.606 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.267 -0.085 1.098 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.908 0.803 2.977 1.00 15.00 C ATOM 0 H LEU B 207 8.710 3.071 3.379 1.00 15.00 H new ATOM 0 HA LEU B 207 10.460 4.492 1.739 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.080 2.311 0.817 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.995 2.296 2.567 1.00 15.00 H new ATOM 0 HG LEU B 207 8.664 1.328 0.922 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.614 -0.957 1.064 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.646 0.124 0.098 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.103 -0.284 1.768 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.270 -0.078 2.911 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.720 0.612 3.679 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.320 1.652 3.326 1.00 15.00 H new