USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 387 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 746 SER OG : rot 180:sc= 0 USER MOD Single : A 752 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 753 ASN : amide:sc= -0.504 K(o=-0.5,f=-5.6!) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 180:sc= 0 USER MOD Single : A 772 GLN : amide:sc= -0.108 K(o=-0.11,f=-4.8!) USER MOD Single : A 777 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot 180:sc= 0 USER MOD Single : A 784 THR OG1 : rot 180:sc= 0 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 792 SER OG : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.916 -3.672 1.841 1.00 0.00 N ATOM 60 CA GLY A 744 -19.563 -3.522 1.340 1.00 0.00 C ATOM 61 C GLY A 744 -18.596 -4.499 1.980 1.00 0.00 C ATOM 62 O GLY A 744 -18.853 -5.015 3.069 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.561 -3.668 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -19.221 -2.504 1.525 1.00 0.00 H new ATOM 66 N CYS A 745 -17.482 -4.756 1.303 1.00 0.00 N ATOM 67 CA CYS A 745 -16.474 -5.679 1.810 1.00 0.00 C ATOM 68 C CYS A 745 -16.131 -5.365 3.264 1.00 0.00 C ATOM 69 O CYS A 745 -16.253 -4.224 3.708 1.00 0.00 O ATOM 70 CB CYS A 745 -15.211 -5.611 0.950 1.00 0.00 C ATOM 71 SG CYS A 745 -15.262 -6.669 -0.532 1.00 0.00 S ATOM 0 H CYS A 745 -17.254 -4.338 0.401 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.884 -6.688 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -15.050 -4.578 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.354 -5.898 1.559 1.00 0.00 H new ATOM 76 N SER A 746 -15.702 -6.386 3.999 1.00 0.00 N ATOM 77 CA SER A 746 -15.345 -6.221 5.403 1.00 0.00 C ATOM 78 C SER A 746 -14.022 -5.472 5.542 1.00 0.00 C ATOM 79 O SER A 746 -13.203 -5.462 4.624 1.00 0.00 O ATOM 80 CB SER A 746 -15.247 -7.584 6.090 1.00 0.00 C ATOM 81 OG SER A 746 -16.532 -8.146 6.293 1.00 0.00 O ATOM 0 H SER A 746 -15.593 -7.336 3.645 1.00 0.00 H new ATOM 0 HA SER A 746 -16.127 -5.635 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.643 -8.258 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.738 -7.476 7.048 1.00 0.00 H new ATOM 0 HG SER A 746 -16.442 -9.018 6.732 1.00 0.00 H new ATOM 87 N ASP A 747 -13.823 -4.847 6.697 1.00 0.00 N ATOM 88 CA ASP A 747 -12.600 -4.096 6.959 1.00 0.00 C ATOM 89 C ASP A 747 -11.408 -5.036 7.110 1.00 0.00 C ATOM 90 O ASP A 747 -11.474 -6.029 7.836 1.00 0.00 O ATOM 91 CB ASP A 747 -12.759 -3.246 8.220 1.00 0.00 C ATOM 92 CG ASP A 747 -14.044 -2.442 8.218 1.00 0.00 C ATOM 93 OD1 ASP A 747 -15.089 -2.992 8.627 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.005 -1.263 7.809 1.00 0.00 O ATOM 0 H ASP A 747 -14.492 -4.845 7.467 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.416 -3.439 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.741 -3.894 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -11.910 -2.568 8.307 1.00 0.00 H new ATOM 99 N LEU A 748 -10.319 -4.717 6.420 1.00 0.00 N ATOM 100 CA LEU A 748 -9.110 -5.532 6.476 1.00 0.00 C ATOM 101 C LEU A 748 -8.308 -5.231 7.738 1.00 0.00 C ATOM 102 O LEU A 748 -8.308 -4.111 8.250 1.00 0.00 O ATOM 103 CB LEU A 748 -8.247 -5.286 5.238 1.00 0.00 C ATOM 104 CG LEU A 748 -8.891 -5.623 3.893 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.275 -4.786 2.782 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.745 -7.107 3.588 1.00 0.00 C ATOM 0 H LEU A 748 -10.248 -3.899 5.815 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.409 -6.580 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -7.956 -4.236 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.332 -5.869 5.336 1.00 0.00 H new ATOM 0 HG LEU A 748 -9.954 -5.387 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.746 -5.039 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.432 -3.728 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.206 -4.990 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.209 -7.328 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.687 -7.368 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.234 -7.689 4.370 1.00 0.00 H new ATOM 118 N PRO A 749 -7.606 -6.252 8.252 1.00 0.00 N ATOM 119 CA PRO A 749 -6.784 -6.120 9.458 1.00 0.00 C ATOM 120 C PRO A 749 -5.548 -5.258 9.226 1.00 0.00 C ATOM 121 O PRO A 749 -5.282 -4.829 8.104 1.00 0.00 O ATOM 122 CB PRO A 749 -6.379 -7.563 9.771 1.00 0.00 C ATOM 123 CG PRO A 749 -6.444 -8.267 8.460 1.00 0.00 C ATOM 124 CD PRO A 749 -7.560 -7.614 7.693 1.00 0.00 C ATOM 0 HA PRO A 749 -7.324 -5.629 10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.376 -7.610 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -7.054 -8.015 10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.499 -8.180 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.636 -9.331 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.358 -7.602 6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.505 -8.138 7.834 1.00 0.00 H new ATOM 132 N GLU A 750 -4.796 -5.010 10.294 1.00 0.00 N ATOM 133 CA GLU A 750 -3.587 -4.199 10.204 1.00 0.00 C ATOM 134 C GLU A 750 -2.433 -5.005 9.617 1.00 0.00 C ATOM 135 O GLU A 750 -2.358 -6.222 9.796 1.00 0.00 O ATOM 136 CB GLU A 750 -3.201 -3.665 11.585 1.00 0.00 C ATOM 137 CG GLU A 750 -2.748 -4.748 12.551 1.00 0.00 C ATOM 138 CD GLU A 750 -3.905 -5.388 13.294 1.00 0.00 C ATOM 139 OE1 GLU A 750 -4.963 -4.737 13.420 1.00 0.00 O ATOM 140 OE2 GLU A 750 -3.751 -6.541 13.748 1.00 0.00 O ATOM 0 H GLU A 750 -5.002 -5.358 11.230 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.793 -3.358 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.401 -2.933 11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.055 -3.141 12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -2.205 -5.516 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -2.051 -4.319 13.271 1.00 0.00 H new ATOM 147 N ILE A 751 -1.536 -4.320 8.917 1.00 0.00 N ATOM 148 CA ILE A 751 -0.385 -4.972 8.304 1.00 0.00 C ATOM 149 C ILE A 751 0.898 -4.650 9.063 1.00 0.00 C ATOM 150 O ILE A 751 1.058 -3.550 9.591 1.00 0.00 O ATOM 151 CB ILE A 751 -0.217 -4.550 6.832 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.164 -4.961 6.316 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.419 -3.050 6.684 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.205 -5.196 4.822 1.00 0.00 C ATOM 0 H ILE A 751 -1.584 -3.313 8.760 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.570 -6.045 8.347 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.974 -5.059 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.885 -4.185 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.478 -5.871 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.297 -2.768 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.422 -2.783 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.317 -2.522 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.214 -5.484 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.509 -5.993 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.922 -4.281 4.302 1.00 0.00 H new ATOM 166 N GLN A 752 1.808 -5.616 9.111 1.00 0.00 N ATOM 167 CA GLN A 752 3.078 -5.435 9.805 1.00 0.00 C ATOM 168 C GLN A 752 4.137 -4.870 8.863 1.00 0.00 C ATOM 169 O GLN A 752 4.311 -5.356 7.747 1.00 0.00 O ATOM 170 CB GLN A 752 3.557 -6.764 10.391 1.00 0.00 C ATOM 171 CG GLN A 752 2.844 -7.155 11.675 1.00 0.00 C ATOM 172 CD GLN A 752 2.936 -8.640 11.966 1.00 0.00 C ATOM 173 OE1 GLN A 752 2.522 -9.469 11.155 1.00 0.00 O ATOM 174 NE2 GLN A 752 3.481 -8.984 13.127 1.00 0.00 N ATOM 0 H GLN A 752 1.690 -6.532 8.678 1.00 0.00 H new ATOM 0 HA GLN A 752 2.922 -4.724 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 752 3.412 -7.551 9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 752 4.628 -6.701 10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.273 -6.598 12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 752 1.795 -6.867 11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 752 3.811 -8.263 13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 752 3.570 -9.969 13.377 1.00 0.00 H new ATOM 183 N ASN A 753 4.840 -3.840 9.322 1.00 0.00 N ATOM 184 CA ASN A 753 5.882 -3.208 8.520 1.00 0.00 C ATOM 185 C ASN A 753 5.306 -2.654 7.220 1.00 0.00 C ATOM 186 O ASN A 753 5.886 -2.827 6.149 1.00 0.00 O ATOM 187 CB ASN A 753 6.996 -4.210 8.211 1.00 0.00 C ATOM 188 CG ASN A 753 7.494 -4.922 9.454 1.00 0.00 C ATOM 189 OD1 ASN A 753 6.757 -5.679 10.087 1.00 0.00 O ATOM 190 ND2 ASN A 753 8.750 -4.682 9.810 1.00 0.00 N ATOM 0 H ASN A 753 4.708 -3.425 10.244 1.00 0.00 H new ATOM 0 HA ASN A 753 6.297 -2.380 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.630 -4.947 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.828 -3.690 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 753 9.140 -5.132 10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 753 9.325 -4.047 9.256 1.00 0.00 H new ATOM 197 N GLY A 754 4.161 -1.986 7.323 1.00 0.00 N ATOM 198 CA GLY A 754 3.526 -1.416 6.149 1.00 0.00 C ATOM 199 C GLY A 754 2.211 -0.735 6.474 1.00 0.00 C ATOM 200 O GLY A 754 1.786 -0.710 7.629 1.00 0.00 O ATOM 0 H GLY A 754 3.662 -1.829 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.201 -0.695 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.352 -2.203 5.415 1.00 0.00 H new ATOM 204 N TRP A 755 1.567 -0.181 5.454 1.00 0.00 N ATOM 205 CA TRP A 755 0.293 0.506 5.637 1.00 0.00 C ATOM 206 C TRP A 755 -0.506 0.527 4.339 1.00 0.00 C ATOM 207 O TRP A 755 0.015 0.202 3.272 1.00 0.00 O ATOM 208 CB TRP A 755 0.526 1.935 6.131 1.00 0.00 C ATOM 209 CG TRP A 755 1.049 2.852 5.067 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.313 3.563 4.163 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.422 3.156 4.797 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.145 4.290 3.347 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.443 4.059 3.716 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.635 2.756 5.364 1.00 0.00 C ATOM 215 CZ2 TRP A 755 3.630 4.564 3.192 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.812 3.258 4.843 1.00 0.00 C ATOM 217 CH2 TRP A 755 4.803 4.155 3.766 1.00 0.00 C ATOM 0 H TRP A 755 1.905 -0.194 4.492 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.281 -0.040 6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.411 2.336 6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 755 1.231 1.914 6.962 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.765 3.555 4.099 1.00 0.00 H new ATOM 0 HE1 TRP A 755 0.844 4.903 2.589 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.652 2.066 6.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 3.625 5.254 2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.755 2.954 5.273 1.00 0.00 H new ATOM 0 HH2 TRP A 755 5.740 4.531 3.382 1.00 0.00 H new ATOM 228 N LYS A 756 -1.774 0.913 4.435 1.00 0.00 N ATOM 229 CA LYS A 756 -2.645 0.979 3.268 1.00 0.00 C ATOM 230 C LYS A 756 -3.182 2.392 3.069 1.00 0.00 C ATOM 231 O LYS A 756 -3.096 3.233 3.965 1.00 0.00 O ATOM 232 CB LYS A 756 -3.808 -0.004 3.418 1.00 0.00 C ATOM 233 CG LYS A 756 -4.651 0.236 4.658 1.00 0.00 C ATOM 234 CD LYS A 756 -5.754 1.248 4.395 1.00 0.00 C ATOM 235 CE LYS A 756 -6.714 1.344 5.571 1.00 0.00 C ATOM 236 NZ LYS A 756 -6.246 2.324 6.590 1.00 0.00 N ATOM 0 H LYS A 756 -2.221 1.185 5.310 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.057 0.706 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.446 0.064 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.413 -1.019 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -5.091 -0.705 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -4.015 0.592 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -5.313 2.226 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -6.304 0.964 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.700 1.637 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -6.821 0.363 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -6.927 2.360 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -5.316 2.031 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -6.168 3.266 6.156 1.00 0.00 H new ATOM 250 N THR A 757 -3.740 2.648 1.890 1.00 0.00 N ATOM 251 CA THR A 757 -4.292 3.960 1.574 1.00 0.00 C ATOM 252 C THR A 757 -5.509 3.839 0.664 1.00 0.00 C ATOM 253 O THR A 757 -5.494 3.093 -0.316 1.00 0.00 O ATOM 254 CB THR A 757 -3.244 4.861 0.894 1.00 0.00 C ATOM 255 OG1 THR A 757 -2.725 4.215 -0.273 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.106 5.184 1.850 1.00 0.00 C ATOM 0 H THR A 757 -3.822 1.964 1.138 1.00 0.00 H new ATOM 0 HA THR A 757 -4.592 4.413 2.519 1.00 0.00 H new ATOM 0 HB THR A 757 -3.731 5.793 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 757 -2.061 4.795 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.378 5.821 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 757 -2.501 5.703 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 757 -1.622 4.260 2.165 1.00 0.00 H new ATOM 335 N LEU A 763 -16.484 0.507 1.291 1.00 0.00 N ATOM 336 CA LEU A 763 -15.727 -0.598 0.714 1.00 0.00 C ATOM 337 C LEU A 763 -16.619 -1.468 -0.166 1.00 0.00 C ATOM 338 O LEU A 763 -16.598 -2.695 -0.069 1.00 0.00 O ATOM 339 CB LEU A 763 -15.101 -1.447 1.822 1.00 0.00 C ATOM 340 CG LEU A 763 -14.172 -0.710 2.788 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.820 -1.598 3.971 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.912 -0.250 2.070 1.00 0.00 C ATOM 0 HA LEU A 763 -14.934 -0.179 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.904 -1.904 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.540 -2.258 1.358 1.00 0.00 H new ATOM 0 HG LEU A 763 -14.694 0.170 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -13.158 -1.057 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.731 -1.877 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -13.318 -2.497 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -12.263 0.272 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.387 -1.116 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -13.182 0.423 1.256 1.00 0.00 H new ATOM 354 N VAL A 764 -17.402 -0.824 -1.026 1.00 0.00 N ATOM 355 CA VAL A 764 -18.299 -1.539 -1.926 1.00 0.00 C ATOM 356 C VAL A 764 -17.574 -1.974 -3.194 1.00 0.00 C ATOM 357 O VAL A 764 -16.366 -1.780 -3.328 1.00 0.00 O ATOM 358 CB VAL A 764 -19.513 -0.673 -2.313 1.00 0.00 C ATOM 359 CG1 VAL A 764 -20.396 -0.418 -1.100 1.00 0.00 C ATOM 360 CG2 VAL A 764 -19.055 0.638 -2.934 1.00 0.00 C ATOM 0 H VAL A 764 -17.433 0.191 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.648 -2.422 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 764 -20.102 -1.214 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -21.248 0.195 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.752 -1.369 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -19.821 0.102 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -19.925 1.237 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -18.443 1.186 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -18.468 0.431 -3.829 1.00 0.00 H new ATOM 370 N ARG A 765 -18.320 -2.562 -4.123 1.00 0.00 N ATOM 371 CA ARG A 765 -17.748 -3.026 -5.382 1.00 0.00 C ATOM 372 C ARG A 765 -16.983 -1.904 -6.077 1.00 0.00 C ATOM 373 O ARG A 765 -17.491 -0.794 -6.231 1.00 0.00 O ATOM 374 CB ARG A 765 -18.849 -3.553 -6.303 1.00 0.00 C ATOM 375 CG ARG A 765 -19.500 -4.833 -5.805 1.00 0.00 C ATOM 376 CD ARG A 765 -20.866 -5.048 -6.438 1.00 0.00 C ATOM 377 NE ARG A 765 -20.841 -4.827 -7.881 1.00 0.00 N ATOM 378 CZ ARG A 765 -21.916 -4.514 -8.595 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.095 -4.384 -8.003 1.00 0.00 N ATOM 380 NH2 ARG A 765 -21.813 -4.328 -9.905 1.00 0.00 N ATOM 0 H ARG A 765 -19.322 -2.729 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.052 -3.835 -5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.615 -2.786 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -18.429 -3.731 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -18.855 -5.682 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -19.603 -4.792 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -21.205 -6.063 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.588 -4.372 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 765 -19.949 -4.918 -8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -23.178 -4.524 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -23.919 -4.143 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -20.907 -4.425 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -22.639 -4.088 -10.453 1.00 0.00 H new ATOM 394 N GLY A 766 -15.756 -2.201 -6.494 1.00 0.00 N ATOM 395 CA GLY A 766 -14.940 -1.208 -7.167 1.00 0.00 C ATOM 396 C GLY A 766 -13.874 -0.624 -6.262 1.00 0.00 C ATOM 397 O GLY A 766 -12.785 -0.276 -6.718 1.00 0.00 O ATOM 0 H GLY A 766 -15.313 -3.112 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.465 -1.662 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.579 -0.406 -7.535 1.00 0.00 H new ATOM 401 N ALA A 767 -14.188 -0.513 -4.975 1.00 0.00 N ATOM 402 CA ALA A 767 -13.248 0.033 -4.004 1.00 0.00 C ATOM 403 C ALA A 767 -11.888 -0.648 -4.112 1.00 0.00 C ATOM 404 O ALA A 767 -11.789 -1.872 -4.032 1.00 0.00 O ATOM 405 CB ALA A 767 -13.803 -0.112 -2.594 1.00 0.00 C ATOM 0 H ALA A 767 -15.086 -0.794 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 767 -13.112 1.092 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -13.091 0.300 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.747 0.427 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.969 -1.167 -2.375 1.00 0.00 H new ATOM 411 N ARG A 768 -10.843 0.153 -4.295 1.00 0.00 N ATOM 412 CA ARG A 768 -9.489 -0.374 -4.416 1.00 0.00 C ATOM 413 C ARG A 768 -8.611 0.115 -3.268 1.00 0.00 C ATOM 414 O ARG A 768 -8.767 1.239 -2.789 1.00 0.00 O ATOM 415 CB ARG A 768 -8.876 0.042 -5.754 1.00 0.00 C ATOM 416 CG ARG A 768 -7.869 -0.958 -6.299 1.00 0.00 C ATOM 417 CD ARG A 768 -7.353 -0.539 -7.667 1.00 0.00 C ATOM 418 NE ARG A 768 -6.469 0.621 -7.586 1.00 0.00 N ATOM 419 CZ ARG A 768 -6.904 1.876 -7.572 1.00 0.00 C ATOM 420 NH1 ARG A 768 -8.203 2.132 -7.632 1.00 0.00 N ATOM 421 NH2 ARG A 768 -6.038 2.879 -7.497 1.00 0.00 N ATOM 0 H ARG A 768 -10.908 1.169 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.543 -1.462 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -9.674 0.176 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -8.387 1.009 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -7.033 -1.049 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -8.333 -1.942 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -6.818 -1.372 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -8.196 -0.307 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 768 -5.463 0.459 -7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -8.872 1.364 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -8.534 3.097 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -5.037 2.686 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -6.373 3.842 -7.486 1.00 0.00 H new ATOM 435 N ILE A 769 -7.689 -0.736 -2.831 1.00 0.00 N ATOM 436 CA ILE A 769 -6.787 -0.391 -1.740 1.00 0.00 C ATOM 437 C ILE A 769 -5.329 -0.535 -2.166 1.00 0.00 C ATOM 438 O ILE A 769 -4.968 -1.473 -2.877 1.00 0.00 O ATOM 439 CB ILE A 769 -7.037 -1.271 -0.502 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.488 -1.132 -0.035 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.077 -0.897 0.617 1.00 0.00 C ATOM 442 CD1 ILE A 769 -8.966 -2.295 0.806 1.00 0.00 C ATOM 0 H ILE A 769 -7.547 -1.670 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 769 -6.988 0.649 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.860 -2.312 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.589 -0.212 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.134 -1.035 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.267 -1.528 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.051 -1.042 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.225 0.148 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -10.002 -2.129 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.897 -3.216 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.344 -2.380 1.697 1.00 0.00 H new ATOM 454 N THR A 770 -4.494 0.400 -1.724 1.00 0.00 N ATOM 455 CA THR A 770 -3.076 0.378 -2.058 1.00 0.00 C ATOM 456 C THR A 770 -2.231 0.006 -0.845 1.00 0.00 C ATOM 457 O THR A 770 -2.294 0.666 0.193 1.00 0.00 O ATOM 458 CB THR A 770 -2.605 1.741 -2.600 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.497 2.196 -3.623 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.193 1.643 -3.158 1.00 0.00 C ATOM 0 H THR A 770 -4.776 1.182 -1.133 1.00 0.00 H new ATOM 0 HA THR A 770 -2.946 -0.377 -2.833 1.00 0.00 H new ATOM 0 HB THR A 770 -2.604 2.454 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.192 3.064 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 770 -0.882 2.617 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.511 1.325 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.172 0.917 -3.970 1.00 0.00 H new ATOM 468 N TYR A 771 -1.440 -1.052 -0.982 1.00 0.00 N ATOM 469 CA TYR A 771 -0.584 -1.512 0.104 1.00 0.00 C ATOM 470 C TYR A 771 0.850 -1.029 -0.091 1.00 0.00 C ATOM 471 O TYR A 771 1.484 -1.327 -1.103 1.00 0.00 O ATOM 472 CB TYR A 771 -0.612 -3.039 0.192 1.00 0.00 C ATOM 473 CG TYR A 771 -1.705 -3.573 1.090 1.00 0.00 C ATOM 474 CD1 TYR A 771 -2.971 -3.849 0.588 1.00 0.00 C ATOM 475 CD2 TYR A 771 -1.472 -3.804 2.440 1.00 0.00 C ATOM 476 CE1 TYR A 771 -3.973 -4.337 1.404 1.00 0.00 C ATOM 477 CE2 TYR A 771 -2.467 -4.293 3.264 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.716 -4.557 2.742 1.00 0.00 C ATOM 479 OH TYR A 771 -4.711 -5.044 3.558 1.00 0.00 O ATOM 0 H TYR A 771 -1.374 -1.607 -1.835 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.966 -1.094 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.742 -3.450 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.352 -3.391 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -3.175 -3.679 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -0.495 -3.598 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -4.952 -4.545 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -2.268 -4.468 4.311 1.00 0.00 H new ATOM 0 HH TYR A 771 -4.367 -5.143 4.470 1.00 0.00 H new ATOM 489 N GLN A 772 1.355 -0.283 0.886 1.00 0.00 N ATOM 490 CA GLN A 772 2.714 0.242 0.822 1.00 0.00 C ATOM 491 C GLN A 772 3.562 -0.305 1.966 1.00 0.00 C ATOM 492 O GLN A 772 3.075 -0.488 3.082 1.00 0.00 O ATOM 493 CB GLN A 772 2.696 1.770 0.870 1.00 0.00 C ATOM 494 CG GLN A 772 4.081 2.396 0.848 1.00 0.00 C ATOM 495 CD GLN A 772 4.785 2.208 -0.482 1.00 0.00 C ATOM 496 OE1 GLN A 772 5.142 1.090 -0.855 1.00 0.00 O ATOM 497 NE2 GLN A 772 4.989 3.303 -1.204 1.00 0.00 N ATOM 0 H GLN A 772 0.844 -0.028 1.731 1.00 0.00 H new ATOM 0 HA GLN A 772 3.157 -0.079 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 772 2.123 2.145 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.176 2.091 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.998 3.461 1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.687 1.957 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 772 4.676 4.209 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 772 5.459 3.238 -2.107 1.00 0.00 H new ATOM 506 N CYS A 773 4.834 -0.563 1.681 1.00 0.00 N ATOM 507 CA CYS A 773 5.751 -1.089 2.685 1.00 0.00 C ATOM 508 C CYS A 773 6.978 -0.192 2.824 1.00 0.00 C ATOM 509 O CYS A 773 7.179 0.729 2.033 1.00 0.00 O ATOM 510 CB CYS A 773 6.184 -2.510 2.316 1.00 0.00 C ATOM 511 SG CYS A 773 4.814 -3.708 2.239 1.00 0.00 S ATOM 0 H CYS A 773 5.253 -0.416 0.763 1.00 0.00 H new ATOM 0 HA CYS A 773 5.229 -1.112 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.686 -2.486 1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.915 -2.857 3.046 1.00 0.00 H new ATOM 516 N ASP A 774 7.794 -0.469 3.835 1.00 0.00 N ATOM 517 CA ASP A 774 9.002 0.312 4.078 1.00 0.00 C ATOM 518 C ASP A 774 9.964 0.206 2.899 1.00 0.00 C ATOM 519 O ASP A 774 9.892 -0.719 2.089 1.00 0.00 O ATOM 520 CB ASP A 774 9.691 -0.161 5.359 1.00 0.00 C ATOM 521 CG ASP A 774 9.126 0.502 6.600 1.00 0.00 C ATOM 522 OD1 ASP A 774 9.017 1.745 6.610 1.00 0.00 O ATOM 523 OD2 ASP A 774 8.793 -0.224 7.561 1.00 0.00 O ATOM 0 H ASP A 774 7.641 -1.228 4.499 1.00 0.00 H new ATOM 0 HA ASP A 774 8.713 1.356 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.584 -1.242 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.758 0.049 5.293 1.00 0.00 H new ATOM 528 N PRO A 775 10.886 1.174 2.798 1.00 0.00 N ATOM 529 CA PRO A 775 11.879 1.213 1.721 1.00 0.00 C ATOM 530 C PRO A 775 12.917 0.103 1.850 1.00 0.00 C ATOM 531 O PRO A 775 13.638 0.027 2.844 1.00 0.00 O ATOM 532 CB PRO A 775 12.538 2.584 1.894 1.00 0.00 C ATOM 533 CG PRO A 775 12.346 2.917 3.333 1.00 0.00 C ATOM 534 CD PRO A 775 11.030 2.307 3.728 1.00 0.00 C ATOM 0 HA PRO A 775 11.424 1.065 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.596 2.551 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 775 12.074 3.331 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 775 13.159 2.516 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 775 12.337 3.996 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 775 11.036 1.976 4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 775 10.210 3.018 3.625 1.00 0.00 H new ATOM 542 N GLY A 776 12.988 -0.756 0.838 1.00 0.00 N ATOM 543 CA GLY A 776 13.942 -1.850 0.859 1.00 0.00 C ATOM 544 C GLY A 776 13.268 -3.207 0.838 1.00 0.00 C ATOM 545 O GLY A 776 13.888 -4.211 0.486 1.00 0.00 O ATOM 0 H GLY A 776 12.402 -0.714 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.607 -1.765 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.563 -1.770 1.751 1.00 0.00 H new ATOM 549 N TYR A 777 11.995 -3.240 1.217 1.00 0.00 N ATOM 550 CA TYR A 777 11.237 -4.485 1.244 1.00 0.00 C ATOM 551 C TYR A 777 10.423 -4.656 -0.035 1.00 0.00 C ATOM 552 O TYR A 777 10.449 -3.800 -0.920 1.00 0.00 O ATOM 553 CB TYR A 777 10.309 -4.516 2.460 1.00 0.00 C ATOM 554 CG TYR A 777 11.031 -4.753 3.767 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.877 -3.789 4.301 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.867 -5.942 4.468 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.540 -4.003 5.495 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.524 -6.163 5.663 1.00 0.00 C ATOM 559 CZ TYR A 777 12.359 -5.191 6.171 1.00 0.00 C ATOM 560 OH TYR A 777 13.016 -5.406 7.361 1.00 0.00 O ATOM 0 H TYR A 777 11.466 -2.418 1.510 1.00 0.00 H new ATOM 0 HA TYR A 777 11.946 -5.310 1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.769 -3.571 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.565 -5.300 2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 777 12.019 -2.857 3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.215 -6.706 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.196 -3.244 5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.384 -7.092 6.196 1.00 0.00 H new ATOM 0 HH TYR A 777 12.780 -6.291 7.710 1.00 0.00 H new ATOM 570 N ASP A 778 9.702 -5.767 -0.125 1.00 0.00 N ATOM 571 CA ASP A 778 8.878 -6.051 -1.295 1.00 0.00 C ATOM 572 C ASP A 778 7.566 -6.715 -0.887 1.00 0.00 C ATOM 573 O ASP A 778 7.503 -7.420 0.120 1.00 0.00 O ATOM 574 CB ASP A 778 9.636 -6.950 -2.273 1.00 0.00 C ATOM 575 CG ASP A 778 10.825 -6.248 -2.901 1.00 0.00 C ATOM 576 OD1 ASP A 778 11.833 -6.039 -2.193 1.00 0.00 O ATOM 577 OD2 ASP A 778 10.748 -5.909 -4.100 1.00 0.00 O ATOM 0 H ASP A 778 9.671 -6.486 0.598 1.00 0.00 H new ATOM 0 HA ASP A 778 8.649 -5.105 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 778 9.979 -7.843 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 778 8.957 -7.282 -3.058 1.00 0.00 H new ATOM 582 N ILE A 779 6.522 -6.485 -1.676 1.00 0.00 N ATOM 583 CA ILE A 779 5.213 -7.061 -1.397 1.00 0.00 C ATOM 584 C ILE A 779 5.077 -8.446 -2.020 1.00 0.00 C ATOM 585 O ILE A 779 5.605 -8.707 -3.101 1.00 0.00 O ATOM 586 CB ILE A 779 4.079 -6.161 -1.923 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.082 -4.818 -1.189 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.734 -6.855 -1.762 1.00 0.00 C ATOM 589 CD1 ILE A 779 2.774 -4.066 -1.300 1.00 0.00 C ATOM 0 H ILE A 779 6.557 -5.904 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 779 5.129 -7.143 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 779 4.246 -5.975 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 779 4.305 -4.989 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 779 4.884 -4.197 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 779 1.943 -6.207 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.737 -7.788 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.558 -7.068 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 779 2.849 -3.124 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.559 -3.863 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 779 1.971 -4.668 -0.875 1.00 0.00 H new ATOM 601 N VAL A 780 4.364 -9.331 -1.331 1.00 0.00 N ATOM 602 CA VAL A 780 4.156 -10.690 -1.818 1.00 0.00 C ATOM 603 C VAL A 780 2.672 -10.990 -1.992 1.00 0.00 C ATOM 604 O VAL A 780 1.947 -11.179 -1.016 1.00 0.00 O ATOM 605 CB VAL A 780 4.770 -11.729 -0.860 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.527 -13.139 -1.376 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.257 -11.469 -0.674 1.00 0.00 C ATOM 0 H VAL A 780 3.921 -9.132 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 780 4.653 -10.760 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 780 4.284 -11.634 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 780 4.967 -13.860 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.455 -13.319 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 780 4.985 -13.251 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.674 -12.212 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.761 -11.535 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.403 -10.473 -0.256 1.00 0.00 H new ATOM 617 N GLY A 781 2.225 -11.032 -3.244 1.00 0.00 N ATOM 618 CA GLY A 781 0.829 -11.310 -3.524 1.00 0.00 C ATOM 619 C GLY A 781 0.195 -10.257 -4.411 1.00 0.00 C ATOM 620 O GLY A 781 0.762 -9.875 -5.435 1.00 0.00 O ATOM 0 H GLY A 781 2.805 -10.878 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.745 -12.284 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.278 -11.370 -2.585 1.00 0.00 H new ATOM 624 N SER A 782 -0.986 -9.788 -4.020 1.00 0.00 N ATOM 625 CA SER A 782 -1.700 -8.777 -4.790 1.00 0.00 C ATOM 626 C SER A 782 -1.542 -7.398 -4.156 1.00 0.00 C ATOM 627 O SER A 782 -2.359 -6.983 -3.334 1.00 0.00 O ATOM 628 CB SER A 782 -3.184 -9.137 -4.892 1.00 0.00 C ATOM 629 OG SER A 782 -3.426 -9.997 -5.991 1.00 0.00 O ATOM 0 H SER A 782 -1.468 -10.092 -3.174 1.00 0.00 H new ATOM 0 HA SER A 782 -1.270 -8.748 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.508 -9.620 -3.970 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.775 -8.228 -5.001 1.00 0.00 H new ATOM 0 HG SER A 782 -4.381 -10.213 -6.033 1.00 0.00 H new ATOM 635 N ASP A 783 -0.485 -6.694 -4.545 1.00 0.00 N ATOM 636 CA ASP A 783 -0.218 -5.361 -4.016 1.00 0.00 C ATOM 637 C ASP A 783 -1.505 -4.548 -3.916 1.00 0.00 C ATOM 638 O ASP A 783 -1.667 -3.730 -3.010 1.00 0.00 O ATOM 639 CB ASP A 783 0.793 -4.631 -4.901 1.00 0.00 C ATOM 640 CG ASP A 783 1.877 -5.553 -5.423 1.00 0.00 C ATOM 641 OD1 ASP A 783 2.121 -6.600 -4.789 1.00 0.00 O ATOM 642 OD2 ASP A 783 2.482 -5.227 -6.466 1.00 0.00 O ATOM 0 H ASP A 783 0.201 -7.024 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 783 0.200 -5.471 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.272 -4.175 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.251 -3.821 -4.333 1.00 0.00 H new ATOM 647 N THR A 784 -2.419 -4.779 -4.854 1.00 0.00 N ATOM 648 CA THR A 784 -3.691 -4.068 -4.873 1.00 0.00 C ATOM 649 C THR A 784 -4.857 -5.019 -4.629 1.00 0.00 C ATOM 650 O THR A 784 -4.849 -6.159 -5.094 1.00 0.00 O ATOM 651 CB THR A 784 -3.908 -3.341 -6.214 1.00 0.00 C ATOM 652 OG1 THR A 784 -2.737 -2.592 -6.560 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.108 -2.409 -6.136 1.00 0.00 C ATOM 0 H THR A 784 -2.301 -5.453 -5.610 1.00 0.00 H new ATOM 0 HA THR A 784 -3.653 -3.331 -4.070 1.00 0.00 H new ATOM 0 HB THR A 784 -4.099 -4.090 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.882 -2.134 -7.414 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.242 -1.907 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.002 -2.986 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 784 -4.941 -1.665 -5.357 1.00 0.00 H new ATOM 661 N LEU A 785 -5.859 -4.543 -3.898 1.00 0.00 N ATOM 662 CA LEU A 785 -7.034 -5.352 -3.593 1.00 0.00 C ATOM 663 C LEU A 785 -8.314 -4.623 -3.988 1.00 0.00 C ATOM 664 O LEU A 785 -8.406 -3.400 -3.877 1.00 0.00 O ATOM 665 CB LEU A 785 -7.069 -5.694 -2.102 1.00 0.00 C ATOM 666 CG LEU A 785 -6.208 -6.881 -1.666 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.732 -6.524 -1.736 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.586 -7.326 -0.261 1.00 0.00 C ATOM 0 H LEU A 785 -5.881 -3.602 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 785 -6.969 -6.274 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.752 -4.815 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.102 -5.897 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.392 -7.710 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -4.135 -7.380 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.471 -6.255 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.530 -5.680 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.964 -8.171 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -6.431 -6.502 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.634 -7.624 -0.243 1.00 0.00 H new ATOM 680 N THR A 786 -9.303 -5.382 -4.449 1.00 0.00 N ATOM 681 CA THR A 786 -10.579 -4.810 -4.860 1.00 0.00 C ATOM 682 C THR A 786 -11.746 -5.665 -4.381 1.00 0.00 C ATOM 683 O THR A 786 -11.587 -6.857 -4.113 1.00 0.00 O ATOM 684 CB THR A 786 -10.661 -4.661 -6.391 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.384 -4.281 -6.915 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.703 -3.623 -6.779 1.00 0.00 C ATOM 0 H THR A 786 -9.245 -6.396 -4.547 1.00 0.00 H new ATOM 0 HA THR A 786 -10.644 -3.823 -4.402 1.00 0.00 H new ATOM 0 HB THR A 786 -10.955 -5.622 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.444 -4.190 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 786 -11.743 -3.535 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.679 -3.930 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.435 -2.659 -6.347 1.00 0.00 H new ATOM 694 N CYS A 787 -12.919 -5.051 -4.275 1.00 0.00 N ATOM 695 CA CYS A 787 -14.115 -5.756 -3.827 1.00 0.00 C ATOM 696 C CYS A 787 -14.897 -6.308 -5.016 1.00 0.00 C ATOM 697 O CYS A 787 -15.367 -5.553 -5.866 1.00 0.00 O ATOM 698 CB CYS A 787 -15.005 -4.823 -3.005 1.00 0.00 C ATOM 699 SG CYS A 787 -16.235 -5.686 -1.975 1.00 0.00 S ATOM 0 H CYS A 787 -13.068 -4.066 -4.493 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.802 -6.591 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -14.374 -4.210 -2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.525 -4.145 -3.682 1.00 0.00 H new ATOM 704 N GLN A 788 -15.032 -7.630 -5.066 1.00 0.00 N ATOM 705 CA GLN A 788 -15.757 -8.283 -6.149 1.00 0.00 C ATOM 706 C GLN A 788 -17.264 -8.156 -5.950 1.00 0.00 C ATOM 707 O GLN A 788 -17.725 -7.697 -4.905 1.00 0.00 O ATOM 708 CB GLN A 788 -15.364 -9.758 -6.238 1.00 0.00 C ATOM 709 CG GLN A 788 -13.896 -9.979 -6.566 1.00 0.00 C ATOM 710 CD GLN A 788 -13.546 -11.446 -6.716 1.00 0.00 C ATOM 711 OE1 GLN A 788 -13.540 -12.198 -5.741 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.250 -11.861 -7.942 1.00 0.00 N ATOM 0 H GLN A 788 -14.649 -8.269 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.490 -7.787 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.593 -10.244 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -15.975 -10.243 -7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -13.651 -9.455 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.282 -9.542 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -13.268 -11.203 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.005 -12.838 -8.105 1.00 0.00 H new ATOM 721 N TRP A 789 -18.025 -8.566 -6.958 1.00 0.00 N ATOM 722 CA TRP A 789 -19.480 -8.498 -6.893 1.00 0.00 C ATOM 723 C TRP A 789 -20.012 -9.318 -5.723 1.00 0.00 C ATOM 724 O TRP A 789 -21.181 -9.204 -5.353 1.00 0.00 O ATOM 725 CB TRP A 789 -20.094 -8.997 -8.203 1.00 0.00 C ATOM 726 CG TRP A 789 -19.318 -8.586 -9.417 1.00 0.00 C ATOM 727 CD1 TRP A 789 -19.353 -7.371 -10.040 1.00 0.00 C ATOM 728 CD2 TRP A 789 -18.392 -9.390 -10.156 1.00 0.00 C ATOM 729 NE1 TRP A 789 -18.506 -7.372 -11.121 1.00 0.00 N ATOM 730 CE2 TRP A 789 -17.904 -8.598 -11.214 1.00 0.00 C ATOM 731 CE3 TRP A 789 -17.927 -10.702 -10.026 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -16.976 -9.077 -12.135 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -17.006 -11.175 -10.941 1.00 0.00 C ATOM 734 CH2 TRP A 789 -16.537 -10.365 -11.984 1.00 0.00 C ATOM 0 H TRP A 789 -17.659 -8.949 -7.830 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.763 -7.457 -6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -20.160 -10.085 -8.174 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -21.113 -8.618 -8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -19.958 -6.532 -9.728 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -18.351 -6.586 -11.753 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -18.281 -11.334 -9.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -16.615 -8.454 -12.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -16.641 -12.187 -10.851 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -15.816 -10.764 -12.682 1.00 0.00 H new ATOM 745 N ASP A 790 -19.148 -10.144 -5.145 1.00 0.00 N ATOM 746 CA ASP A 790 -19.531 -10.983 -4.015 1.00 0.00 C ATOM 747 C ASP A 790 -19.106 -10.345 -2.696 1.00 0.00 C ATOM 748 O ASP A 790 -18.904 -11.036 -1.696 1.00 0.00 O ATOM 749 CB ASP A 790 -18.906 -12.373 -4.149 1.00 0.00 C ATOM 750 CG ASP A 790 -19.635 -13.241 -5.155 1.00 0.00 C ATOM 751 OD1 ASP A 790 -20.883 -13.262 -5.126 1.00 0.00 O ATOM 752 OD2 ASP A 790 -18.957 -13.899 -5.972 1.00 0.00 O ATOM 0 H ASP A 790 -18.177 -10.251 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 790 -20.617 -11.080 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -17.863 -12.272 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -18.911 -12.866 -3.177 1.00 0.00 H new ATOM 757 N LEU A 791 -18.969 -9.024 -2.700 1.00 0.00 N ATOM 758 CA LEU A 791 -18.567 -8.292 -1.504 1.00 0.00 C ATOM 759 C LEU A 791 -17.352 -8.944 -0.850 1.00 0.00 C ATOM 760 O LEU A 791 -17.136 -8.808 0.354 1.00 0.00 O ATOM 761 CB LEU A 791 -19.725 -8.229 -0.507 1.00 0.00 C ATOM 762 CG LEU A 791 -20.931 -7.390 -0.931 1.00 0.00 C ATOM 763 CD1 LEU A 791 -22.029 -7.466 0.118 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.518 -5.945 -1.171 1.00 0.00 C ATOM 0 H LEU A 791 -19.130 -8.437 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 791 -18.297 -7.279 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -20.066 -9.246 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -19.346 -7.833 0.435 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.321 -7.795 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.879 -6.863 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.345 -8.502 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.652 -7.087 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.389 -5.363 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -20.102 -5.528 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.766 -5.908 -1.960 1.00 0.00 H new ATOM 776 N SER A 792 -16.562 -9.650 -1.653 1.00 0.00 N ATOM 777 CA SER A 792 -15.370 -10.324 -1.152 1.00 0.00 C ATOM 778 C SER A 792 -14.122 -9.829 -1.876 1.00 0.00 C ATOM 779 O SER A 792 -14.172 -9.482 -3.056 1.00 0.00 O ATOM 780 CB SER A 792 -15.505 -11.838 -1.322 1.00 0.00 C ATOM 781 OG SER A 792 -14.747 -12.530 -0.345 1.00 0.00 O ATOM 0 H SER A 792 -16.726 -9.770 -2.653 1.00 0.00 H new ATOM 0 HA SER A 792 -15.270 -10.092 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 792 -16.554 -12.124 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 792 -15.170 -12.127 -2.318 1.00 0.00 H new ATOM 0 HG SER A 792 -14.851 -13.496 -0.474 1.00 0.00 H new ATOM 787 N TRP A 793 -13.004 -9.799 -1.160 1.00 0.00 N ATOM 788 CA TRP A 793 -11.741 -9.347 -1.734 1.00 0.00 C ATOM 789 C TRP A 793 -11.119 -10.432 -2.606 1.00 0.00 C ATOM 790 O TRP A 793 -11.173 -11.615 -2.272 1.00 0.00 O ATOM 791 CB TRP A 793 -10.767 -8.947 -0.624 1.00 0.00 C ATOM 792 CG TRP A 793 -11.226 -7.762 0.171 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.724 -7.772 1.443 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.232 -6.395 -0.254 1.00 0.00 C ATOM 795 NE1 TRP A 793 -12.038 -6.492 1.834 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.746 -5.630 0.811 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.852 -5.743 -1.430 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.888 -4.247 0.733 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.995 -4.370 -1.506 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.509 -3.634 -0.430 1.00 0.00 C ATOM 0 H TRP A 793 -12.946 -10.082 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.946 -8.478 -2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.626 -9.794 0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.796 -8.725 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.852 -8.655 2.052 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.426 -6.227 2.740 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.454 -6.301 -2.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.283 -3.678 1.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.706 -3.856 -2.410 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.608 -2.562 -0.520 1.00 0.00 H new ATOM 811 N SER A 794 -10.530 -10.021 -3.724 1.00 0.00 N ATOM 812 CA SER A 794 -9.901 -10.959 -4.646 1.00 0.00 C ATOM 813 C SER A 794 -9.267 -12.122 -3.889 1.00 0.00 C ATOM 814 O SER A 794 -9.439 -13.284 -4.256 1.00 0.00 O ATOM 815 CB SER A 794 -8.841 -10.247 -5.488 1.00 0.00 C ATOM 816 OG SER A 794 -8.257 -11.132 -6.428 1.00 0.00 O ATOM 0 H SER A 794 -10.475 -9.044 -4.013 1.00 0.00 H new ATOM 0 HA SER A 794 -10.674 -11.354 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.293 -9.404 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.067 -9.841 -4.837 1.00 0.00 H new ATOM 0 HG SER A 794 -7.584 -10.652 -6.955 1.00 0.00 H new ATOM 822 N SER A 795 -8.532 -11.800 -2.829 1.00 0.00 N ATOM 823 CA SER A 795 -7.869 -12.817 -2.021 1.00 0.00 C ATOM 824 C SER A 795 -7.238 -12.197 -0.778 1.00 0.00 C ATOM 825 O SER A 795 -7.174 -10.974 -0.645 1.00 0.00 O ATOM 826 CB SER A 795 -6.799 -13.536 -2.845 1.00 0.00 C ATOM 827 OG SER A 795 -5.947 -12.608 -3.495 1.00 0.00 O ATOM 0 H SER A 795 -8.381 -10.843 -2.510 1.00 0.00 H new ATOM 0 HA SER A 795 -8.620 -13.540 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 795 -6.209 -14.183 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 795 -7.276 -14.177 -3.586 1.00 0.00 H new ATOM 0 HG SER A 795 -5.271 -13.092 -4.014 1.00 0.00 H new ATOM 833 N ASP A 796 -6.772 -13.048 0.129 1.00 0.00 N ATOM 834 CA ASP A 796 -6.145 -12.585 1.361 1.00 0.00 C ATOM 835 C ASP A 796 -5.273 -11.361 1.100 1.00 0.00 C ATOM 836 O ASP A 796 -4.737 -11.172 0.008 1.00 0.00 O ATOM 837 CB ASP A 796 -5.304 -13.703 1.981 1.00 0.00 C ATOM 838 CG ASP A 796 -3.883 -13.720 1.453 1.00 0.00 C ATOM 839 OD1 ASP A 796 -3.699 -14.031 0.258 1.00 0.00 O ATOM 840 OD2 ASP A 796 -2.955 -13.422 2.235 1.00 0.00 O ATOM 0 H ASP A 796 -6.817 -14.063 0.034 1.00 0.00 H new ATOM 0 HA ASP A 796 -6.934 -12.304 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -5.285 -13.581 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -5.776 -14.664 1.777 1.00 0.00 H new ATOM 845 N PRO A 797 -5.128 -10.508 2.126 1.00 0.00 N ATOM 846 CA PRO A 797 -4.322 -9.287 2.031 1.00 0.00 C ATOM 847 C PRO A 797 -2.829 -9.583 1.938 1.00 0.00 C ATOM 848 O PRO A 797 -2.318 -10.519 2.553 1.00 0.00 O ATOM 849 CB PRO A 797 -4.641 -8.550 3.335 1.00 0.00 C ATOM 850 CG PRO A 797 -5.050 -9.622 4.285 1.00 0.00 C ATOM 851 CD PRO A 797 -5.738 -10.671 3.456 1.00 0.00 C ATOM 0 HA PRO A 797 -4.554 -8.714 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.773 -8.004 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.439 -7.821 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.184 -10.038 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.719 -9.230 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.571 -11.672 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.816 -10.516 3.425 1.00 0.00 H new ATOM 859 N PRO A 798 -2.111 -8.767 1.152 1.00 0.00 N ATOM 860 CA PRO A 798 -0.666 -8.921 0.961 1.00 0.00 C ATOM 861 C PRO A 798 0.125 -8.569 2.216 1.00 0.00 C ATOM 862 O PRO A 798 -0.445 -8.159 3.227 1.00 0.00 O ATOM 863 CB PRO A 798 -0.350 -7.934 -0.165 1.00 0.00 C ATOM 864 CG PRO A 798 -1.424 -6.906 -0.080 1.00 0.00 C ATOM 865 CD PRO A 798 -2.655 -7.631 0.390 1.00 0.00 C ATOM 0 HA PRO A 798 -0.392 -9.951 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 798 0.636 -7.488 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 798 -0.351 -8.428 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -1.150 -6.112 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -1.593 -6.437 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -3.284 -6.994 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -3.269 -7.965 -0.447 1.00 0.00 H new ATOM 873 N PHE A 799 1.442 -8.731 2.144 1.00 0.00 N ATOM 874 CA PHE A 799 2.312 -8.430 3.275 1.00 0.00 C ATOM 875 C PHE A 799 3.687 -7.970 2.797 1.00 0.00 C ATOM 876 O PHE A 799 3.991 -8.020 1.605 1.00 0.00 O ATOM 877 CB PHE A 799 2.458 -9.660 4.175 1.00 0.00 C ATOM 878 CG PHE A 799 2.646 -10.941 3.413 1.00 0.00 C ATOM 879 CD1 PHE A 799 3.903 -11.323 2.974 1.00 0.00 C ATOM 880 CD2 PHE A 799 1.565 -11.763 3.137 1.00 0.00 C ATOM 881 CE1 PHE A 799 4.078 -12.501 2.273 1.00 0.00 C ATOM 882 CE2 PHE A 799 1.734 -12.942 2.437 1.00 0.00 C ATOM 883 CZ PHE A 799 2.993 -13.312 2.005 1.00 0.00 C ATOM 0 H PHE A 799 1.930 -9.069 1.315 1.00 0.00 H new ATOM 0 HA PHE A 799 1.856 -7.622 3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.309 -9.514 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.572 -9.747 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 799 4.756 -10.693 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 799 0.579 -11.479 3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 799 5.063 -12.787 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 799 0.883 -13.573 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.128 -14.234 1.459 1.00 0.00 H new ATOM 893 N CYS A 800 4.513 -7.522 3.736 1.00 0.00 N ATOM 894 CA CYS A 800 5.855 -7.052 3.413 1.00 0.00 C ATOM 895 C CYS A 800 6.901 -8.101 3.777 1.00 0.00 C ATOM 896 O CYS A 800 6.913 -8.618 4.893 1.00 0.00 O ATOM 897 CB CYS A 800 6.151 -5.744 4.150 1.00 0.00 C ATOM 898 SG CYS A 800 4.802 -4.522 4.067 1.00 0.00 S ATOM 0 H CYS A 800 4.277 -7.474 4.727 1.00 0.00 H new ATOM 0 HA CYS A 800 5.902 -6.875 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.360 -5.968 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.055 -5.301 3.732 1.00 0.00 H new ATOM 903 N GLU A 801 7.778 -8.409 2.826 1.00 0.00 N ATOM 904 CA GLU A 801 8.828 -9.397 3.046 1.00 0.00 C ATOM 905 C GLU A 801 10.190 -8.842 2.640 1.00 0.00 C ATOM 906 O GLU A 801 10.356 -8.314 1.540 1.00 0.00 O ATOM 907 CB GLU A 801 8.530 -10.675 2.259 1.00 0.00 C ATOM 908 CG GLU A 801 9.532 -11.789 2.506 1.00 0.00 C ATOM 909 CD GLU A 801 9.629 -12.173 3.970 1.00 0.00 C ATOM 910 OE1 GLU A 801 10.334 -11.468 4.722 1.00 0.00 O ATOM 911 OE2 GLU A 801 9.000 -13.177 4.364 1.00 0.00 O ATOM 0 H GLU A 801 7.782 -7.989 1.897 1.00 0.00 H new ATOM 0 HA GLU A 801 8.853 -9.632 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.533 -11.029 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.515 -10.441 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.247 -12.665 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 801 10.514 -11.475 2.151 1.00 0.00 H new ATOM 918 N LYS A 802 11.163 -8.966 3.536 1.00 0.00 N ATOM 919 CA LYS A 802 12.512 -8.479 3.274 1.00 0.00 C ATOM 920 C LYS A 802 13.110 -9.165 2.049 1.00 0.00 C ATOM 921 O LYS A 802 12.981 -10.378 1.879 1.00 0.00 O ATOM 922 CB LYS A 802 13.408 -8.715 4.492 1.00 0.00 C ATOM 923 CG LYS A 802 14.516 -7.686 4.640 1.00 0.00 C ATOM 924 CD LYS A 802 15.736 -8.058 3.814 1.00 0.00 C ATOM 925 CE LYS A 802 16.883 -7.085 4.045 1.00 0.00 C ATOM 926 NZ LYS A 802 18.109 -7.488 3.303 1.00 0.00 N ATOM 0 H LYS A 802 11.042 -9.400 4.451 1.00 0.00 H new ATOM 0 HA LYS A 802 12.453 -7.409 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 802 12.793 -8.707 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.853 -9.708 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 802 14.149 -6.708 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.798 -7.602 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 802 16.057 -9.068 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 802 15.472 -8.067 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 802 16.581 -6.086 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 802 17.105 -7.031 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 18.867 -6.800 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 18.413 -8.431 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 17.905 -7.515 2.284 1.00 0.00 H new