USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 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 Set 1.1: A 500 THR OG1 : rot -56:sc= 1.71 USER MOD Set 1.2: A 502 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 485 MET CE :methyl -158:sc= -1.36 (180deg=-2.27!) USER MOD Single : A 490 ASN : amide:sc= -6.08! C(o=-6.1!,f=-19!) USER MOD Single : A 496 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 498 HIS : no HE2:sc= -5.37! C(o=-5.4!,f=-8!) USER MOD Single : A 499 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.0073) USER MOD Single : A 501 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0262) USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : B 206 ASN :FLIP amide:sc= -0.141 F(o=-1.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.433 0.468 2.815 1.00 15.00 N ATOM 30 CA PHE A 478 -10.792 0.686 1.403 1.00 15.00 C ATOM 31 C PHE A 478 -10.401 -0.645 0.810 1.00 15.00 C ATOM 32 O PHE A 478 -10.833 -1.097 -0.249 1.00 15.00 O ATOM 33 CB PHE A 478 -9.767 1.545 0.660 1.00 15.00 C ATOM 34 CG PHE A 478 -9.026 2.444 1.559 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.621 3.195 2.550 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.647 2.338 1.517 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.826 3.844 3.468 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.882 2.930 2.433 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.449 3.678 3.400 1.00 15.00 C ATOM 0 HA PHE A 478 -11.802 1.090 1.334 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -9.063 0.896 0.140 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.277 2.137 -0.100 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.697 3.273 2.606 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.183 1.765 0.728 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -9.266 4.472 4.229 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.809 2.811 2.401 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.821 4.157 4.136 1.00 15.00 H new ATOM 49 N LEU A 479 -9.479 -1.198 1.595 1.00 15.00 N ATOM 50 CA LEU A 479 -8.236 -1.735 1.124 1.00 15.00 C ATOM 51 C LEU A 479 -8.023 -3.142 1.703 1.00 15.00 C ATOM 52 O LEU A 479 -8.423 -3.406 2.836 1.00 15.00 O ATOM 53 CB LEU A 479 -7.146 -0.654 1.501 1.00 15.00 C ATOM 54 CG LEU A 479 -5.734 -0.864 0.958 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.628 -0.210 -0.397 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.673 -0.271 1.863 1.00 15.00 C ATOM 0 H LEU A 479 -9.595 -1.280 2.605 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.192 -1.898 0.047 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.500 0.317 1.154 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -7.085 -0.601 2.588 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.562 -1.939 0.897 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.623 -0.355 -0.793 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.353 -0.659 -1.075 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.831 0.857 -0.303 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.687 -0.447 1.432 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.839 0.802 1.964 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.729 -0.740 2.845 1.00 15.00 H new ATOM 68 N PRO A 480 -7.387 -4.045 0.928 1.00 15.00 N ATOM 69 CA PRO A 480 -7.298 -5.491 1.253 1.00 15.00 C ATOM 70 C PRO A 480 -6.557 -5.779 2.584 1.00 15.00 C ATOM 71 O PRO A 480 -5.997 -4.874 3.197 1.00 15.00 O ATOM 72 CB PRO A 480 -6.499 -6.078 0.070 1.00 15.00 C ATOM 73 CG PRO A 480 -6.376 -5.012 -0.967 1.00 15.00 C ATOM 74 CD PRO A 480 -6.670 -3.700 -0.309 1.00 15.00 C ATOM 0 HA PRO A 480 -8.290 -5.923 1.387 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.513 -6.407 0.400 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -7.006 -6.952 -0.338 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.374 -5.009 -1.395 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -7.072 -5.193 -1.786 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.752 -3.153 -0.093 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.277 -3.063 -0.952 1.00 15.00 H new ATOM 82 N PRO A 481 -6.525 -7.060 3.030 1.00 15.00 N ATOM 83 CA PRO A 481 -5.818 -7.484 4.261 1.00 15.00 C ATOM 84 C PRO A 481 -4.299 -7.663 4.071 1.00 15.00 C ATOM 85 O PRO A 481 -3.676 -8.516 4.709 1.00 15.00 O ATOM 86 CB PRO A 481 -6.465 -8.843 4.592 1.00 15.00 C ATOM 87 CG PRO A 481 -7.567 -9.034 3.596 1.00 15.00 C ATOM 88 CD PRO A 481 -7.207 -8.195 2.408 1.00 15.00 C ATOM 0 HA PRO A 481 -5.912 -6.731 5.043 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.734 -9.649 4.524 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.854 -8.851 5.610 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.662 -10.083 3.317 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.526 -8.727 4.013 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.559 -8.729 1.713 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -8.088 -7.884 1.847 1.00 15.00 H new ATOM 96 N GLY A 482 -3.713 -6.825 3.230 1.00 15.00 N ATOM 97 CA GLY A 482 -2.280 -6.842 2.984 1.00 15.00 C ATOM 98 C GLY A 482 -1.690 -5.531 3.348 1.00 15.00 C ATOM 99 O GLY A 482 -0.507 -5.322 3.209 1.00 15.00 O ATOM 0 H GLY A 482 -4.217 -6.115 2.699 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.812 -7.636 3.566 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -2.085 -7.059 1.934 1.00 15.00 H new ATOM 103 N TRP A 483 -2.521 -4.634 3.805 1.00 15.00 N ATOM 104 CA TRP A 483 -2.343 -3.280 3.384 1.00 15.00 C ATOM 105 C TRP A 483 -2.257 -2.240 4.470 1.00 15.00 C ATOM 106 O TRP A 483 -3.086 -2.146 5.375 1.00 15.00 O ATOM 107 CB TRP A 483 -3.444 -2.992 2.387 1.00 15.00 C ATOM 108 CG TRP A 483 -3.323 -3.925 1.238 1.00 15.00 C ATOM 109 CD1 TRP A 483 -4.004 -5.063 1.006 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.386 -3.845 0.212 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.522 -5.693 -0.101 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.561 -4.958 -0.605 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.426 -2.945 -0.106 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.832 -5.202 -1.700 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.677 -3.184 -1.205 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.873 -4.301 -2.005 1.00 15.00 C ATOM 0 H TRP A 483 -3.297 -4.809 4.443 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.351 -3.197 2.939 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.419 -3.106 2.861 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.376 -1.961 2.041 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.820 -5.426 1.614 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.852 -6.583 -0.474 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.264 -2.065 0.499 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -2.002 -6.077 -2.310 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.100 -2.482 -1.470 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.254 -4.451 -2.878 1.00 15.00 H new ATOM 127 N GLU A 484 -1.214 -1.449 4.311 1.00 15.00 N ATOM 128 CA GLU A 484 -0.989 -0.250 5.098 1.00 15.00 C ATOM 129 C GLU A 484 -1.281 0.940 4.209 1.00 15.00 C ATOM 130 O GLU A 484 -0.611 1.126 3.191 1.00 15.00 O ATOM 131 CB GLU A 484 0.474 -0.160 5.574 1.00 15.00 C ATOM 132 CG GLU A 484 0.689 -0.304 7.067 1.00 15.00 C ATOM 133 CD GLU A 484 0.240 0.896 7.872 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.973 1.182 7.887 1.00 15.00 O ATOM 135 OE2 GLU A 484 1.090 1.531 8.527 1.00 15.00 O ATOM 0 H GLU A 484 -0.485 -1.624 3.619 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.633 -0.270 5.977 1.00 15.00 H new ATOM 0 HB2 GLU A 484 1.050 -0.933 5.066 1.00 15.00 H new ATOM 0 HB3 GLU A 484 0.881 0.800 5.258 1.00 15.00 H new ATOM 0 HG2 GLU A 484 0.152 -1.185 7.418 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.748 -0.480 7.256 1.00 15.00 H new ATOM 142 N MET A 485 -2.281 1.726 4.552 1.00 15.00 N ATOM 143 CA MET A 485 -2.502 2.960 3.836 1.00 15.00 C ATOM 144 C MET A 485 -1.710 4.042 4.518 1.00 15.00 C ATOM 145 O MET A 485 -2.074 4.524 5.592 1.00 15.00 O ATOM 146 CB MET A 485 -3.980 3.340 3.774 1.00 15.00 C ATOM 147 CG MET A 485 -4.253 4.614 2.974 1.00 15.00 C ATOM 148 SD MET A 485 -3.952 6.132 3.901 1.00 15.00 S ATOM 149 CE MET A 485 -4.386 7.362 2.676 1.00 15.00 C ATOM 0 H MET A 485 -2.940 1.536 5.307 1.00 15.00 H new ATOM 0 HA MET A 485 -2.175 2.831 2.804 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.540 2.516 3.331 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.355 3.471 4.789 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.627 4.613 2.082 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.289 4.605 2.636 1.00 15.00 H new ATOM 0 HE1 MET A 485 -3.905 8.308 2.924 1.00 15.00 H new ATOM 0 HE2 MET A 485 -4.051 7.031 1.693 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.467 7.498 2.664 1.00 15.00 H new ATOM 159 N ARG A 486 -0.586 4.364 3.926 1.00 15.00 N ATOM 160 CA ARG A 486 0.282 5.363 4.478 1.00 15.00 C ATOM 161 C ARG A 486 0.402 6.529 3.528 1.00 15.00 C ATOM 162 O ARG A 486 0.972 6.419 2.453 1.00 15.00 O ATOM 163 CB ARG A 486 1.646 4.765 4.806 1.00 15.00 C ATOM 164 CG ARG A 486 1.597 3.805 5.978 1.00 15.00 C ATOM 165 CD ARG A 486 1.251 4.531 7.265 1.00 15.00 C ATOM 166 NE ARG A 486 2.389 5.279 7.801 1.00 15.00 N ATOM 167 CZ ARG A 486 2.398 6.596 8.004 1.00 15.00 C ATOM 168 NH1 ARG A 486 1.359 7.343 7.650 1.00 15.00 N ATOM 169 NH2 ARG A 486 3.454 7.169 8.561 1.00 15.00 N ATOM 0 H ARG A 486 -0.254 3.944 3.058 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.148 5.731 5.410 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.029 4.243 3.930 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.347 5.569 5.030 1.00 15.00 H new ATOM 0 HG2 ARG A 486 0.857 3.028 5.785 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.561 3.308 6.085 1.00 15.00 H new ATOM 0 HD2 ARG A 486 0.422 5.215 7.083 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.911 3.809 8.007 1.00 15.00 H new ATOM 0 HE ARG A 486 3.233 4.756 8.035 1.00 15.00 H new ATOM 0 HH11 ARG A 486 0.543 6.910 7.218 1.00 15.00 H new ATOM 0 HH12 ARG A 486 1.377 8.350 7.810 1.00 15.00 H new ATOM 0 HH21 ARG A 486 4.257 6.603 8.833 1.00 15.00 H new ATOM 0 HH22 ARG A 486 3.464 8.177 8.718 1.00 15.00 H new ATOM 183 N ILE A 487 -0.197 7.624 3.926 1.00 15.00 N ATOM 184 CA ILE A 487 -0.078 8.873 3.212 1.00 15.00 C ATOM 185 C ILE A 487 1.112 9.622 3.764 1.00 15.00 C ATOM 186 O ILE A 487 1.183 9.952 4.949 1.00 15.00 O ATOM 187 CB ILE A 487 -1.381 9.671 3.285 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.166 11.114 2.797 1.00 15.00 C ATOM 189 CG2 ILE A 487 -1.972 9.590 4.681 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.393 11.988 2.934 1.00 15.00 C ATOM 0 H ILE A 487 -0.784 7.675 4.759 1.00 15.00 H new ATOM 0 HA ILE A 487 0.093 8.695 2.150 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.114 9.229 2.610 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.347 11.561 3.360 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -0.860 11.093 1.751 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -2.899 10.163 4.718 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.179 8.549 4.929 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.263 10.000 5.400 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.168 12.991 2.571 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.209 11.564 2.348 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.688 12.039 3.982 1.00 15.00 H new ATOM 202 N ALA A 488 2.058 9.849 2.881 1.00 15.00 N ATOM 203 CA ALA A 488 3.374 10.302 3.249 1.00 15.00 C ATOM 204 C ALA A 488 3.406 11.813 3.280 1.00 15.00 C ATOM 205 O ALA A 488 2.631 12.452 2.571 1.00 15.00 O ATOM 206 CB ALA A 488 4.401 9.808 2.262 1.00 15.00 C ATOM 0 H ALA A 488 1.931 9.722 1.877 1.00 15.00 H new ATOM 0 HA ALA A 488 3.609 9.905 4.237 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.389 10.161 2.558 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.395 8.718 2.245 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.163 10.187 1.268 1.00 15.00 H new ATOM 212 N PRO A 489 4.261 12.406 4.125 1.00 15.00 N ATOM 213 CA PRO A 489 4.378 13.868 4.262 1.00 15.00 C ATOM 214 C PRO A 489 4.604 14.621 2.937 1.00 15.00 C ATOM 215 O PRO A 489 4.646 15.850 2.933 1.00 15.00 O ATOM 216 CB PRO A 489 5.596 14.043 5.173 1.00 15.00 C ATOM 217 CG PRO A 489 5.667 12.780 5.956 1.00 15.00 C ATOM 218 CD PRO A 489 5.187 11.697 5.032 1.00 15.00 C ATOM 0 HA PRO A 489 3.449 14.287 4.648 1.00 15.00 H new ATOM 0 HB2 PRO A 489 6.505 14.201 4.593 1.00 15.00 H new ATOM 0 HB3 PRO A 489 5.481 14.908 5.826 1.00 15.00 H new ATOM 0 HG2 PRO A 489 6.686 12.585 6.291 1.00 15.00 H new ATOM 0 HG3 PRO A 489 5.043 12.838 6.848 1.00 15.00 H new ATOM 0 HD2 PRO A 489 6.012 11.239 4.486 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.683 10.898 5.576 1.00 15.00 H new ATOM 226 N ASN A 490 4.757 13.907 1.818 1.00 15.00 N ATOM 227 CA ASN A 490 4.940 14.559 0.530 1.00 15.00 C ATOM 228 C ASN A 490 3.640 14.519 -0.258 1.00 15.00 C ATOM 229 O ASN A 490 3.482 15.216 -1.260 1.00 15.00 O ATOM 230 CB ASN A 490 6.063 13.891 -0.266 1.00 15.00 C ATOM 231 CG ASN A 490 6.015 12.388 -0.140 1.00 15.00 C ATOM 232 OD1 ASN A 490 4.974 11.822 0.181 1.00 15.00 O ATOM 233 ND2 ASN A 490 7.120 11.724 -0.418 1.00 15.00 N ATOM 0 H ASN A 490 4.757 12.888 1.783 1.00 15.00 H new ATOM 0 HA ASN A 490 5.221 15.598 0.705 1.00 15.00 H new ATOM 0 HB2 ASN A 490 5.982 14.171 -1.316 1.00 15.00 H new ATOM 0 HB3 ASN A 490 7.027 14.256 0.088 1.00 15.00 H new ATOM 0 HD21 ASN A 490 7.129 10.705 -0.370 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.966 12.229 -0.681 1.00 15.00 H new ATOM 240 N GLY A 491 2.718 13.677 0.191 1.00 15.00 N ATOM 241 CA GLY A 491 1.475 13.490 -0.520 1.00 15.00 C ATOM 242 C GLY A 491 1.446 12.146 -1.203 1.00 15.00 C ATOM 243 O GLY A 491 0.770 11.964 -2.216 1.00 15.00 O ATOM 0 H GLY A 491 2.813 13.119 1.040 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.638 13.568 0.174 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.351 14.281 -1.259 1.00 15.00 H new ATOM 247 N ARG A 492 2.204 11.207 -0.653 1.00 15.00 N ATOM 248 CA ARG A 492 2.294 9.868 -1.211 1.00 15.00 C ATOM 249 C ARG A 492 1.591 8.851 -0.329 1.00 15.00 C ATOM 250 O ARG A 492 2.140 8.420 0.672 1.00 15.00 O ATOM 251 CB ARG A 492 3.752 9.433 -1.358 1.00 15.00 C ATOM 252 CG ARG A 492 4.591 10.323 -2.242 1.00 15.00 C ATOM 253 CD ARG A 492 5.743 9.576 -2.886 1.00 15.00 C ATOM 254 NE ARG A 492 6.497 10.434 -3.797 1.00 15.00 N ATOM 255 CZ ARG A 492 6.670 10.166 -5.089 1.00 15.00 C ATOM 256 NH1 ARG A 492 6.194 9.044 -5.608 1.00 15.00 N ATOM 257 NH2 ARG A 492 7.325 11.020 -5.861 1.00 15.00 N ATOM 0 H ARG A 492 2.768 11.351 0.184 1.00 15.00 H new ATOM 0 HA ARG A 492 1.812 9.905 -2.188 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.207 9.395 -0.368 1.00 15.00 H new ATOM 0 HB3 ARG A 492 3.776 8.420 -1.759 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.962 10.755 -3.020 1.00 15.00 H new ATOM 0 HG3 ARG A 492 4.983 11.151 -1.652 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.408 9.193 -2.112 1.00 15.00 H new ATOM 0 HD3 ARG A 492 5.359 8.714 -3.431 1.00 15.00 H new ATOM 0 HE ARG A 492 6.914 11.286 -3.422 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.692 8.381 -5.017 1.00 15.00 H new ATOM 0 HH12 ARG A 492 6.329 8.843 -6.599 1.00 15.00 H new ATOM 0 HH21 ARG A 492 7.697 11.883 -5.465 1.00 15.00 H new ATOM 0 HH22 ARG A 492 7.457 10.814 -6.851 1.00 15.00 H new ATOM 271 N PRO A 493 0.362 8.470 -0.660 1.00 15.00 N ATOM 272 CA PRO A 493 -0.294 7.341 -0.024 1.00 15.00 C ATOM 273 C PRO A 493 0.020 6.081 -0.765 1.00 15.00 C ATOM 274 O PRO A 493 -0.514 5.798 -1.839 1.00 15.00 O ATOM 275 CB PRO A 493 -1.783 7.706 -0.099 1.00 15.00 C ATOM 276 CG PRO A 493 -1.789 9.100 -0.630 1.00 15.00 C ATOM 277 CD PRO A 493 -0.574 9.183 -1.507 1.00 15.00 C ATOM 0 HA PRO A 493 0.028 7.161 1.002 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.327 7.027 -0.755 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.257 7.651 0.881 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.699 9.304 -1.195 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.744 9.831 0.177 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.718 8.702 -2.474 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.266 10.210 -1.705 1.00 15.00 H new ATOM 285 N PHE A 494 0.966 5.361 -0.188 1.00 15.00 N ATOM 286 CA PHE A 494 1.508 4.206 -0.809 1.00 15.00 C ATOM 287 C PHE A 494 0.589 3.112 -0.298 1.00 15.00 C ATOM 288 O PHE A 494 0.424 2.990 0.919 1.00 15.00 O ATOM 289 CB PHE A 494 2.895 3.858 -0.247 1.00 15.00 C ATOM 290 CG PHE A 494 3.719 5.003 0.300 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.548 5.325 1.639 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.657 5.725 -0.425 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.263 6.303 2.237 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.391 6.721 0.192 1.00 15.00 C ATOM 295 CZ PHE A 494 5.194 7.003 1.525 1.00 15.00 C ATOM 0 H PHE A 494 1.368 5.576 0.725 1.00 15.00 H new ATOM 0 HA PHE A 494 1.588 4.332 -1.889 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.764 3.124 0.548 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.469 3.374 -1.037 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.821 4.777 2.221 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.814 5.509 -1.471 1.00 15.00 H new ATOM 0 HE1 PHE A 494 4.098 6.531 3.280 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.122 7.280 -0.374 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.775 7.776 2.006 1.00 15.00 H new ATOM 305 N PHE A 495 -0.023 2.340 -1.143 1.00 15.00 N ATOM 306 CA PHE A 495 -0.805 1.238 -0.641 1.00 15.00 C ATOM 307 C PHE A 495 0.147 0.047 -0.543 1.00 15.00 C ATOM 308 O PHE A 495 0.538 -0.515 -1.560 1.00 15.00 O ATOM 309 CB PHE A 495 -1.978 0.908 -1.571 1.00 15.00 C ATOM 310 CG PHE A 495 -3.006 2.004 -1.664 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.270 2.818 -0.573 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.704 2.219 -2.840 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.212 3.825 -0.654 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.648 3.225 -2.927 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.901 4.029 -1.833 1.00 15.00 C ATOM 0 H PHE A 495 -0.003 2.442 -2.158 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.240 1.488 0.327 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.591 0.700 -2.569 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.463 -0.003 -1.220 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.733 2.663 0.351 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.509 1.594 -3.699 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.409 4.452 0.203 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.187 3.382 -3.850 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.637 4.817 -1.900 1.00 15.00 H new ATOM 325 N TYR A 496 0.599 -0.286 0.662 1.00 15.00 N ATOM 326 CA TYR A 496 1.674 -1.268 0.804 1.00 15.00 C ATOM 327 C TYR A 496 1.195 -2.611 1.362 1.00 15.00 C ATOM 328 O TYR A 496 0.550 -2.679 2.411 1.00 15.00 O ATOM 329 CB TYR A 496 2.820 -0.681 1.643 1.00 15.00 C ATOM 330 CG TYR A 496 3.700 -1.714 2.333 1.00 15.00 C ATOM 331 CD1 TYR A 496 4.834 -2.224 1.710 1.00 15.00 C ATOM 332 CD2 TYR A 496 3.416 -2.154 3.622 1.00 15.00 C ATOM 333 CE1 TYR A 496 5.649 -3.136 2.348 1.00 15.00 C ATOM 334 CE2 TYR A 496 4.224 -3.070 4.261 1.00 15.00 C ATOM 335 CZ TYR A 496 5.340 -3.556 3.621 1.00 15.00 C ATOM 336 OH TYR A 496 6.153 -4.465 4.259 1.00 15.00 O ATOM 0 H TYR A 496 0.248 0.099 1.539 1.00 15.00 H new ATOM 0 HA TYR A 496 2.046 -1.485 -0.197 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.445 -0.065 0.997 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.396 -0.021 2.400 1.00 15.00 H new ATOM 0 HD1 TYR A 496 5.081 -1.901 0.710 1.00 15.00 H new ATOM 0 HD2 TYR A 496 2.545 -1.770 4.132 1.00 15.00 H new ATOM 0 HE1 TYR A 496 6.527 -3.519 1.850 1.00 15.00 H new ATOM 0 HE2 TYR A 496 3.982 -3.404 5.259 1.00 15.00 H new ATOM 0 HH TYR A 496 5.794 -4.655 5.151 1.00 15.00 H new ATOM 346 N ASP A 497 1.570 -3.676 0.647 1.00 15.00 N ATOM 347 CA ASP A 497 1.181 -5.056 0.966 1.00 15.00 C ATOM 348 C ASP A 497 2.234 -5.648 1.907 1.00 15.00 C ATOM 349 O ASP A 497 3.423 -5.493 1.658 1.00 15.00 O ATOM 350 CB ASP A 497 1.178 -5.886 -0.317 1.00 15.00 C ATOM 351 CG ASP A 497 0.800 -7.332 -0.083 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.408 -7.629 0.038 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.716 -8.173 -0.018 1.00 15.00 O ATOM 0 H ASP A 497 2.161 -3.604 -0.182 1.00 15.00 H new ATOM 0 HA ASP A 497 0.193 -5.066 1.426 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.480 -5.444 -1.028 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.167 -5.844 -0.773 1.00 15.00 H new ATOM 358 N HIS A 498 1.828 -6.328 2.968 1.00 15.00 N ATOM 359 CA HIS A 498 2.793 -6.856 3.933 1.00 15.00 C ATOM 360 C HIS A 498 3.079 -8.325 3.647 1.00 15.00 C ATOM 361 O HIS A 498 3.919 -8.941 4.302 1.00 15.00 O ATOM 362 CB HIS A 498 2.299 -6.711 5.382 1.00 15.00 C ATOM 363 CG HIS A 498 1.861 -5.327 5.783 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.190 -4.488 4.939 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.894 -4.687 6.975 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.811 -3.424 5.581 1.00 15.00 C ATOM 367 NE2 HIS A 498 1.223 -3.504 6.826 1.00 15.00 N ATOM 0 H HIS A 498 0.852 -6.528 3.185 1.00 15.00 H new ATOM 0 HA HIS A 498 3.706 -6.270 3.824 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.464 -7.395 5.533 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.097 -7.029 6.053 1.00 15.00 H new ATOM 0 HD1 HIS A 498 1.013 -4.670 3.951 1.00 15.00 H new ATOM 0 HD2 HIS A 498 2.364 -5.045 7.879 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.248 -2.605 5.159 1.00 15.00 H new ATOM 376 N ASN A 499 2.374 -8.888 2.667 1.00 15.00 N ATOM 377 CA ASN A 499 2.567 -10.288 2.304 1.00 15.00 C ATOM 378 C ASN A 499 3.814 -10.407 1.441 1.00 15.00 C ATOM 379 O ASN A 499 4.633 -11.310 1.611 1.00 15.00 O ATOM 380 CB ASN A 499 1.369 -10.856 1.516 1.00 15.00 C ATOM 381 CG ASN A 499 0.000 -10.540 2.109 1.00 15.00 C ATOM 382 OD1 ASN A 499 -0.997 -10.496 1.386 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.066 -10.314 3.411 1.00 15.00 N ATOM 0 H ASN A 499 1.669 -8.399 2.115 1.00 15.00 H new ATOM 0 HA ASN A 499 2.666 -10.859 3.227 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.406 -10.468 0.498 1.00 15.00 H new ATOM 0 HB3 ASN A 499 1.478 -11.938 1.448 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.962 -10.095 3.846 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.779 -10.359 3.980 1.00 15.00 H new ATOM 390 N THR A 500 3.927 -9.488 0.497 1.00 15.00 N ATOM 391 CA THR A 500 5.055 -9.443 -0.416 1.00 15.00 C ATOM 392 C THR A 500 5.965 -8.258 -0.106 1.00 15.00 C ATOM 393 O THR A 500 7.067 -8.155 -0.645 1.00 15.00 O ATOM 394 CB THR A 500 4.564 -9.332 -1.869 1.00 15.00 C ATOM 395 OG1 THR A 500 3.644 -8.233 -1.987 1.00 15.00 O ATOM 396 CG2 THR A 500 3.890 -10.620 -2.320 1.00 15.00 C ATOM 0 H THR A 500 3.238 -8.752 0.342 1.00 15.00 H new ATOM 0 HA THR A 500 5.620 -10.367 -0.288 1.00 15.00 H new ATOM 0 HB THR A 500 5.428 -9.157 -2.510 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.908 -8.353 -1.351 1.00 15.00 H new ATOM 0 HG21 THR A 500 3.553 -10.513 -3.351 1.00 15.00 H new ATOM 0 HG22 THR A 500 4.600 -11.444 -2.254 1.00 15.00 H new ATOM 0 HG23 THR A 500 3.034 -10.827 -1.678 1.00 15.00 H new ATOM 404 N LYS A 501 5.487 -7.378 0.775 1.00 15.00 N ATOM 405 CA LYS A 501 6.186 -6.137 1.118 1.00 15.00 C ATOM 406 C LYS A 501 6.307 -5.234 -0.107 1.00 15.00 C ATOM 407 O LYS A 501 7.349 -4.627 -0.353 1.00 15.00 O ATOM 408 CB LYS A 501 7.561 -6.420 1.726 1.00 15.00 C ATOM 409 CG LYS A 501 7.487 -7.184 3.039 1.00 15.00 C ATOM 410 CD LYS A 501 8.841 -7.266 3.724 1.00 15.00 C ATOM 411 CE LYS A 501 8.726 -7.895 5.104 1.00 15.00 C ATOM 412 NZ LYS A 501 8.314 -9.321 5.037 1.00 15.00 N ATOM 0 H LYS A 501 4.605 -7.505 1.271 1.00 15.00 H new ATOM 0 HA LYS A 501 5.595 -5.617 1.872 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.156 -6.991 1.013 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.080 -5.476 1.891 1.00 15.00 H new ATOM 0 HG2 LYS A 501 6.773 -6.696 3.703 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.113 -8.191 2.853 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.526 -7.852 3.111 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.267 -6.267 3.812 1.00 15.00 H new ATOM 0 HE2 LYS A 501 9.685 -7.819 5.617 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.002 -7.337 5.697 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 8.330 -9.732 5.992 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 7.352 -9.386 4.648 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 8.971 -9.844 4.424 1.00 15.00 H new ATOM 426 N THR A 502 5.210 -5.119 -0.839 1.00 15.00 N ATOM 427 CA THR A 502 5.170 -4.308 -2.045 1.00 15.00 C ATOM 428 C THR A 502 4.570 -2.930 -1.766 1.00 15.00 C ATOM 429 O THR A 502 3.431 -2.821 -1.307 1.00 15.00 O ATOM 430 CB THR A 502 4.334 -5.007 -3.137 1.00 15.00 C ATOM 431 OG1 THR A 502 4.869 -6.310 -3.403 1.00 15.00 O ATOM 432 CG2 THR A 502 4.311 -4.196 -4.425 1.00 15.00 C ATOM 0 H THR A 502 4.329 -5.582 -0.616 1.00 15.00 H new ATOM 0 HA THR A 502 6.197 -4.184 -2.389 1.00 15.00 H new ATOM 0 HB THR A 502 3.312 -5.094 -2.769 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.426 -6.969 -2.829 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.713 -4.717 -5.173 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.875 -3.216 -4.230 1.00 15.00 H new ATOM 0 HG23 THR A 502 5.329 -4.073 -4.796 1.00 15.00 H new ATOM 440 N THR A 503 5.346 -1.887 -2.022 1.00 15.00 N ATOM 441 CA THR A 503 4.842 -0.523 -1.982 1.00 15.00 C ATOM 442 C THR A 503 4.319 -0.137 -3.363 1.00 15.00 C ATOM 443 O THR A 503 5.094 0.005 -4.308 1.00 15.00 O ATOM 444 CB THR A 503 5.947 0.469 -1.562 1.00 15.00 C ATOM 445 OG1 THR A 503 7.226 -0.029 -1.980 1.00 15.00 O ATOM 446 CG2 THR A 503 5.957 0.706 -0.061 1.00 15.00 C ATOM 0 H THR A 503 6.335 -1.961 -2.261 1.00 15.00 H new ATOM 0 HA THR A 503 4.039 -0.476 -1.246 1.00 15.00 H new ATOM 0 HB THR A 503 5.739 1.423 -2.047 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.926 0.603 -1.714 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.750 1.410 0.191 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.996 1.116 0.249 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.133 -0.238 0.455 1.00 15.00 H new ATOM 454 N THR A 504 3.011 0.010 -3.487 1.00 15.00 N ATOM 455 CA THR A 504 2.407 0.262 -4.782 1.00 15.00 C ATOM 456 C THR A 504 1.514 1.493 -4.732 1.00 15.00 C ATOM 457 O THR A 504 0.974 1.826 -3.687 1.00 15.00 O ATOM 458 CB THR A 504 1.584 -0.963 -5.251 1.00 15.00 C ATOM 459 OG1 THR A 504 1.319 -0.880 -6.657 1.00 15.00 O ATOM 460 CG2 THR A 504 0.262 -1.073 -4.506 1.00 15.00 C ATOM 0 H THR A 504 2.351 -0.041 -2.711 1.00 15.00 H new ATOM 0 HA THR A 504 3.212 0.440 -5.495 1.00 15.00 H new ATOM 0 HB THR A 504 2.180 -1.850 -5.036 1.00 15.00 H new ATOM 0 HG1 THR A 504 0.800 -1.662 -6.939 1.00 15.00 H new ATOM 0 HG21 THR A 504 -0.286 -1.945 -4.864 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.454 -1.178 -3.438 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.330 -0.175 -4.682 1.00 15.00 H new ATOM 468 N TRP A 505 1.392 2.191 -5.844 1.00 15.00 N ATOM 469 CA TRP A 505 0.411 3.259 -5.939 1.00 15.00 C ATOM 470 C TRP A 505 -0.759 2.766 -6.784 1.00 15.00 C ATOM 471 O TRP A 505 -1.772 3.449 -6.947 1.00 15.00 O ATOM 472 CB TRP A 505 0.993 4.524 -6.570 1.00 15.00 C ATOM 473 CG TRP A 505 2.448 4.776 -6.297 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.486 4.438 -7.121 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.040 5.443 -5.162 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.673 4.858 -6.585 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.429 5.479 -5.397 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.553 6.023 -3.971 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.317 6.065 -4.513 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.446 6.595 -3.107 1.00 15.00 C ATOM 481 CH2 TRP A 505 4.811 6.619 -3.382 1.00 15.00 C ATOM 0 H TRP A 505 1.950 2.043 -6.685 1.00 15.00 H new ATOM 0 HA TRP A 505 0.088 3.517 -4.930 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.849 4.470 -7.649 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.421 5.381 -6.215 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.384 3.915 -8.060 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.592 4.727 -7.007 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.497 6.015 -3.746 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.378 6.081 -4.716 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.084 7.038 -2.191 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.483 7.089 -2.679 1.00 15.00 H new ATOM 492 N GLU A 506 -0.587 1.567 -7.328 1.00 15.00 N ATOM 493 CA GLU A 506 -1.590 0.937 -8.174 1.00 15.00 C ATOM 494 C GLU A 506 -2.597 0.201 -7.304 1.00 15.00 C ATOM 495 O GLU A 506 -2.241 -0.291 -6.237 1.00 15.00 O ATOM 496 CB GLU A 506 -0.914 -0.037 -9.139 1.00 15.00 C ATOM 497 CG GLU A 506 0.184 0.598 -9.978 1.00 15.00 C ATOM 498 CD GLU A 506 -0.332 1.703 -10.875 1.00 15.00 C ATOM 499 OE1 GLU A 506 -0.376 2.869 -10.434 1.00 15.00 O ATOM 500 OE2 GLU A 506 -0.702 1.409 -12.029 1.00 15.00 O ATOM 0 H GLU A 506 0.253 1.005 -7.194 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.110 1.700 -8.753 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.491 -0.865 -8.569 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.668 -0.459 -9.803 1.00 15.00 H new ATOM 0 HG2 GLU A 506 0.953 1.000 -9.319 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.658 -0.170 -10.590 1.00 15.00 H new ATOM 507 N ASP A 507 -3.836 0.100 -7.773 1.00 15.00 N ATOM 508 CA ASP A 507 -4.919 -0.450 -6.959 1.00 15.00 C ATOM 509 C ASP A 507 -4.635 -1.885 -6.525 1.00 15.00 C ATOM 510 O ASP A 507 -4.574 -2.796 -7.338 1.00 15.00 O ATOM 511 CB ASP A 507 -6.254 -0.387 -7.702 1.00 15.00 C ATOM 512 CG ASP A 507 -7.408 -0.870 -6.843 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.984 -0.053 -6.091 1.00 15.00 O ATOM 514 OD2 ASP A 507 -7.751 -2.065 -6.918 1.00 15.00 O ATOM 0 H ASP A 507 -4.117 0.390 -8.710 1.00 15.00 H new ATOM 0 HA ASP A 507 -4.982 0.168 -6.063 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.444 0.638 -8.020 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.195 -0.995 -8.605 1.00 15.00 H new ATOM 519 N PRO A 508 -4.453 -2.055 -5.210 1.00 15.00 N ATOM 520 CA PRO A 508 -4.162 -3.326 -4.519 1.00 15.00 C ATOM 521 C PRO A 508 -5.375 -4.154 -4.302 1.00 15.00 C ATOM 522 O PRO A 508 -5.305 -5.286 -3.878 1.00 15.00 O ATOM 523 CB PRO A 508 -3.593 -2.862 -3.205 1.00 15.00 C ATOM 524 CG PRO A 508 -4.378 -1.651 -2.920 1.00 15.00 C ATOM 525 CD PRO A 508 -4.536 -0.953 -4.234 1.00 15.00 C ATOM 0 HA PRO A 508 -3.495 -3.967 -5.096 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -3.711 -3.614 -2.425 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.527 -2.645 -3.280 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -5.348 -1.905 -2.492 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -3.868 -1.014 -2.197 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.489 -0.428 -4.299 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -3.752 -0.213 -4.394 1.00 15.00 H new ATOM 533 N ARG A 509 -6.494 -3.578 -4.569 1.00 15.00 N ATOM 534 CA ARG A 509 -7.723 -4.192 -4.278 1.00 15.00 C ATOM 535 C ARG A 509 -7.925 -5.159 -5.398 1.00 15.00 C ATOM 536 O ARG A 509 -8.851 -5.964 -5.435 1.00 15.00 O ATOM 537 CB ARG A 509 -8.769 -3.120 -4.096 1.00 15.00 C ATOM 538 CG ARG A 509 -8.226 -2.059 -3.149 1.00 15.00 C ATOM 539 CD ARG A 509 -9.270 -1.019 -2.790 1.00 15.00 C ATOM 540 NE ARG A 509 -9.750 -0.307 -3.972 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.954 0.251 -4.063 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.810 0.171 -3.050 1.00 15.00 N ATOM 543 NH2 ARG A 509 -11.307 0.895 -5.166 1.00 15.00 N ATOM 0 H ARG A 509 -6.573 -2.657 -5.000 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.775 -4.751 -3.344 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.023 -2.673 -5.057 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.685 -3.552 -3.693 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.866 -2.538 -2.239 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.370 -1.567 -3.611 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.109 -1.503 -2.290 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.846 -0.306 -2.083 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.125 -0.233 -4.775 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -11.545 -0.320 -2.196 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -12.732 0.601 -3.126 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.655 0.964 -5.947 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -12.231 1.322 -5.234 1.00 15.00 H new ATOM 557 N LEU A 510 -7.026 -5.003 -6.361 1.00 15.00 N ATOM 558 CA LEU A 510 -6.963 -5.897 -7.468 1.00 15.00 C ATOM 559 C LEU A 510 -6.583 -7.324 -7.000 1.00 15.00 C ATOM 560 O LEU A 510 -6.902 -8.315 -7.659 1.00 15.00 O ATOM 561 CB LEU A 510 -6.029 -5.374 -8.598 1.00 15.00 C ATOM 562 CG LEU A 510 -4.525 -5.787 -8.623 1.00 15.00 C ATOM 563 CD1 LEU A 510 -3.823 -5.594 -7.288 1.00 15.00 C ATOM 564 CD2 LEU A 510 -4.341 -7.215 -9.116 1.00 15.00 C ATOM 0 H LEU A 510 -6.333 -4.254 -6.381 1.00 15.00 H new ATOM 0 HA LEU A 510 -7.959 -5.950 -7.907 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.465 -5.683 -9.548 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.065 -4.285 -8.570 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.051 -5.108 -9.331 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -2.781 -5.901 -7.377 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -3.869 -4.543 -7.001 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.316 -6.199 -6.527 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -3.280 -7.465 -9.119 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -4.873 -7.899 -8.455 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -4.738 -7.305 -10.127 1.00 15.00 H new ATOM 701 N PRO B 205 5.135 1.368 6.155 1.00 15.00 N ATOM 702 CA PRO B 205 5.592 1.708 4.802 1.00 15.00 C ATOM 703 C PRO B 205 5.652 3.212 4.530 1.00 15.00 C ATOM 704 O PRO B 205 4.623 3.871 4.407 1.00 15.00 O ATOM 705 CB PRO B 205 4.525 1.090 3.898 1.00 15.00 C ATOM 706 CG PRO B 205 3.367 0.782 4.792 1.00 15.00 C ATOM 707 CD PRO B 205 3.947 0.500 6.132 1.00 15.00 C ATOM 0 HA PRO B 205 6.607 1.344 4.642 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.235 1.780 3.106 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.897 0.187 3.414 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.674 1.622 4.836 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.805 -0.076 4.422 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.251 0.744 6.935 1.00 15.00 H new ATOM 0 HD3 PRO B 205 4.211 -0.551 6.247 1.00 15.00 H new ATOM 715 N ASN B 206 6.862 3.754 4.487 1.00 15.00 N ATOM 716 CA ASN B 206 7.069 5.134 4.063 1.00 15.00 C ATOM 717 C ASN B 206 7.980 5.194 2.839 1.00 15.00 C ATOM 718 O ASN B 206 8.080 6.220 2.181 1.00 15.00 O ATOM 719 CB ASN B 206 7.629 5.987 5.211 1.00 15.00 C ATOM 720 CG ASN B 206 7.905 7.435 4.825 1.00 15.00 C ATOM 721 OD1 ASN B 206 7.053 8.016 3.994 1.00 15.00 O flip ATOM 722 ND2 ASN B 206 8.870 8.037 5.299 1.00 15.00 N flip ATOM 0 H ASN B 206 7.717 3.259 4.741 1.00 15.00 H new ATOM 0 HA ASN B 206 6.101 5.549 3.783 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.923 5.971 6.041 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.553 5.534 5.570 1.00 15.00 H new ATOM 0 HD21 ASN B 206 9.507 7.559 5.936 1.00 15.00 H new ATOM 0 HD22 ASN B 206 9.032 9.014 5.054 1.00 15.00 H new ATOM 729 N LEU B 207 8.662 4.095 2.549 1.00 15.00 N ATOM 730 CA LEU B 207 9.566 4.044 1.404 1.00 15.00 C ATOM 731 C LEU B 207 8.816 4.278 0.087 1.00 15.00 C ATOM 732 O LEU B 207 8.137 3.387 -0.428 1.00 15.00 O ATOM 733 CB LEU B 207 10.344 2.715 1.355 1.00 15.00 C ATOM 734 CG LEU B 207 9.509 1.426 1.257 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.364 0.289 0.725 1.00 15.00 C ATOM 736 CD2 LEU B 207 8.930 1.043 2.613 1.00 15.00 C ATOM 0 H LEU B 207 8.609 3.230 3.086 1.00 15.00 H new ATOM 0 HA LEU B 207 10.287 4.851 1.531 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.020 2.748 0.500 1.00 15.00 H new ATOM 0 HB3 LEU B 207 10.964 2.651 2.249 1.00 15.00 H new ATOM 0 HG LEU B 207 8.683 1.611 0.570 1.00 15.00 H new ATOM 0 HD11 LEU B 207 9.763 -0.618 0.660 1.00 15.00 H new ATOM 0 HD12 LEU B 207 10.739 0.548 -0.265 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.204 0.120 1.398 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.345 0.129 2.514 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.742 0.879 3.322 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.289 1.847 2.975 1.00 15.00 H new