USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 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= -0.275 K(o=-0.27,f=-3.3!) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0.081) USER MOD Single : A 756 LYS NZ :NH3+ 175:sc= 0.0656 (180deg=0.0548) USER MOD Single : A 757 THR OG1 : rot 180:sc= 0 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 772 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 777 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot 33:sc= 0.266 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= 0.232 X(o=0.23,f=0) USER MOD Single : A 792 SER OG : rot 55:sc= 0.279 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 4:sc= 1.04 USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.613 -3.365 2.462 1.00 0.00 N ATOM 60 CA GLY A 744 -19.398 -3.427 1.670 1.00 0.00 C ATOM 61 C GLY A 744 -18.425 -4.470 2.182 1.00 0.00 C ATOM 62 O GLY A 744 -18.660 -5.095 3.218 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.654 -3.651 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -18.915 -2.450 1.675 1.00 0.00 H new ATOM 66 N CYS A 745 -17.329 -4.662 1.456 1.00 0.00 N ATOM 67 CA CYS A 745 -16.317 -5.638 1.841 1.00 0.00 C ATOM 68 C CYS A 745 -15.957 -5.496 3.317 1.00 0.00 C ATOM 69 O CYS A 745 -16.100 -4.422 3.901 1.00 0.00 O ATOM 70 CB CYS A 745 -15.063 -5.470 0.981 1.00 0.00 C ATOM 71 SG CYS A 745 -15.086 -6.436 -0.564 1.00 0.00 S ATOM 0 H CYS A 745 -17.119 -4.154 0.597 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.730 -6.634 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.942 -4.415 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.192 -5.763 1.567 1.00 0.00 H new ATOM 76 N SER A 746 -15.490 -6.588 3.914 1.00 0.00 N ATOM 77 CA SER A 746 -15.113 -6.586 5.323 1.00 0.00 C ATOM 78 C SER A 746 -13.853 -5.755 5.547 1.00 0.00 C ATOM 79 O SER A 746 -13.007 -5.640 4.661 1.00 0.00 O ATOM 80 CB SER A 746 -14.888 -8.018 5.814 1.00 0.00 C ATOM 81 OG SER A 746 -16.042 -8.814 5.610 1.00 0.00 O ATOM 0 H SER A 746 -15.364 -7.485 3.445 1.00 0.00 H new ATOM 0 HA SER A 746 -15.928 -6.138 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.041 -8.458 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.633 -8.007 6.874 1.00 0.00 H new ATOM 0 HG SER A 746 -15.872 -9.724 5.930 1.00 0.00 H new ATOM 87 N ASP A 747 -13.738 -5.179 6.738 1.00 0.00 N ATOM 88 CA ASP A 747 -12.582 -4.359 7.082 1.00 0.00 C ATOM 89 C ASP A 747 -11.345 -5.226 7.299 1.00 0.00 C ATOM 90 O ASP A 747 -11.425 -6.299 7.899 1.00 0.00 O ATOM 91 CB ASP A 747 -12.869 -3.534 8.337 1.00 0.00 C ATOM 92 CG ASP A 747 -13.405 -4.380 9.475 1.00 0.00 C ATOM 93 OD1 ASP A 747 -14.638 -4.566 9.546 1.00 0.00 O ATOM 94 OD2 ASP A 747 -12.593 -4.856 10.296 1.00 0.00 O ATOM 0 H ASP A 747 -14.431 -5.264 7.482 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.388 -3.683 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.954 -3.036 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.590 -2.753 8.098 1.00 0.00 H new ATOM 99 N LEU A 748 -10.205 -4.755 6.808 1.00 0.00 N ATOM 100 CA LEU A 748 -8.951 -5.488 6.947 1.00 0.00 C ATOM 101 C LEU A 748 -8.179 -5.016 8.175 1.00 0.00 C ATOM 102 O LEU A 748 -8.219 -3.845 8.553 1.00 0.00 O ATOM 103 CB LEU A 748 -8.093 -5.313 5.693 1.00 0.00 C ATOM 104 CG LEU A 748 -8.775 -5.634 4.363 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.104 -4.883 3.224 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.756 -7.133 4.101 1.00 0.00 C ATOM 0 H LEU A 748 -10.122 -3.869 6.310 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.188 -6.545 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -7.742 -4.282 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.212 -5.947 5.789 1.00 0.00 H new ATOM 0 HG LEU A 748 -9.814 -5.310 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.603 -5.124 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.171 -3.810 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.056 -5.175 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.246 -7.342 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.724 -7.483 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.284 -7.649 4.903 1.00 0.00 H new ATOM 118 N PRO A 749 -7.456 -5.949 8.814 1.00 0.00 N ATOM 119 CA PRO A 749 -6.658 -5.652 10.007 1.00 0.00 C ATOM 120 C PRO A 749 -5.443 -4.786 9.692 1.00 0.00 C ATOM 121 O PRO A 749 -5.220 -4.410 8.541 1.00 0.00 O ATOM 122 CB PRO A 749 -6.218 -7.035 10.492 1.00 0.00 C ATOM 123 CG PRO A 749 -6.240 -7.889 9.272 1.00 0.00 C ATOM 124 CD PRO A 749 -7.362 -7.364 8.420 1.00 0.00 C ATOM 0 HA PRO A 749 -7.225 -5.086 10.746 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.222 -7.001 10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.893 -7.420 11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.289 -7.836 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.403 -8.935 9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.144 -7.472 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.294 -7.897 8.610 1.00 0.00 H new ATOM 132 N GLU A 750 -4.662 -4.474 10.721 1.00 0.00 N ATOM 133 CA GLU A 750 -3.470 -3.651 10.551 1.00 0.00 C ATOM 134 C GLU A 750 -2.309 -4.481 10.009 1.00 0.00 C ATOM 135 O GLU A 750 -2.142 -5.646 10.372 1.00 0.00 O ATOM 136 CB GLU A 750 -3.073 -3.008 11.882 1.00 0.00 C ATOM 137 CG GLU A 750 -4.096 -2.014 12.405 1.00 0.00 C ATOM 138 CD GLU A 750 -3.965 -0.647 11.762 1.00 0.00 C ATOM 139 OE1 GLU A 750 -3.914 -0.582 10.515 1.00 0.00 O ATOM 140 OE2 GLU A 750 -3.913 0.356 12.503 1.00 0.00 O ATOM 0 H GLU A 750 -4.833 -4.778 11.680 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.701 -2.866 9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.927 -3.792 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -2.116 -2.501 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -5.099 -2.402 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -3.982 -1.916 13.485 1.00 0.00 H new ATOM 147 N ILE A 751 -1.510 -3.872 9.139 1.00 0.00 N ATOM 148 CA ILE A 751 -0.366 -4.554 8.548 1.00 0.00 C ATOM 149 C ILE A 751 0.933 -4.142 9.232 1.00 0.00 C ATOM 150 O ILE A 751 1.063 -3.016 9.712 1.00 0.00 O ATOM 151 CB ILE A 751 -0.253 -4.261 7.040 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.098 -4.740 6.504 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.438 -2.774 6.774 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.087 -5.044 5.022 1.00 0.00 C ATOM 0 H ILE A 751 -1.634 -2.908 8.828 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.527 -5.622 8.692 1.00 0.00 H new ATOM 0 HB ILE A 751 -1.042 -4.804 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.850 -3.977 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.399 -5.635 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.355 -2.583 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.422 -2.461 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.331 -2.211 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.077 -5.378 4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.359 -5.829 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.817 -4.145 4.468 1.00 0.00 H new ATOM 166 N GLN A 752 1.892 -5.061 9.271 1.00 0.00 N ATOM 167 CA GLN A 752 3.182 -4.792 9.896 1.00 0.00 C ATOM 168 C GLN A 752 4.198 -4.315 8.864 1.00 0.00 C ATOM 169 O GLN A 752 4.274 -4.850 7.759 1.00 0.00 O ATOM 170 CB GLN A 752 3.703 -6.047 10.599 1.00 0.00 C ATOM 171 CG GLN A 752 3.029 -6.321 11.934 1.00 0.00 C ATOM 172 CD GLN A 752 1.779 -7.166 11.794 1.00 0.00 C ATOM 173 OE1 GLN A 752 0.786 -6.734 11.209 1.00 0.00 O ATOM 174 NE2 GLN A 752 1.821 -8.380 12.332 1.00 0.00 N ATOM 0 H GLN A 752 1.801 -5.998 8.878 1.00 0.00 H new ATOM 0 HA GLN A 752 3.042 -4.002 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 752 3.557 -6.907 9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 752 4.777 -5.945 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.733 -6.827 12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 752 2.771 -5.374 12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 752 2.665 -8.698 12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 752 1.009 -8.994 12.269 1.00 0.00 H new ATOM 183 N ASN A 753 4.978 -3.303 9.233 1.00 0.00 N ATOM 184 CA ASN A 753 5.989 -2.752 8.338 1.00 0.00 C ATOM 185 C ASN A 753 5.345 -2.154 7.091 1.00 0.00 C ATOM 186 O ASN A 753 5.888 -2.250 5.991 1.00 0.00 O ATOM 187 CB ASN A 753 6.991 -3.837 7.937 1.00 0.00 C ATOM 188 CG ASN A 753 7.787 -4.353 9.120 1.00 0.00 C ATOM 189 OD1 ASN A 753 8.640 -3.651 9.662 1.00 0.00 O ATOM 190 ND2 ASN A 753 7.512 -5.588 9.525 1.00 0.00 N ATOM 0 H ASN A 753 4.929 -2.849 10.145 1.00 0.00 H new ATOM 0 HA ASN A 753 6.515 -1.959 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.458 -4.666 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.675 -3.437 7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 753 8.017 -5.990 10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 753 6.796 -6.134 9.046 1.00 0.00 H new ATOM 197 N GLY A 754 4.182 -1.535 7.271 1.00 0.00 N ATOM 198 CA GLY A 754 3.482 -0.929 6.153 1.00 0.00 C ATOM 199 C GLY A 754 2.118 -0.396 6.543 1.00 0.00 C ATOM 200 O GLY A 754 1.731 -0.457 7.710 1.00 0.00 O ATOM 0 H GLY A 754 3.712 -1.442 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.085 -0.115 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.367 -1.666 5.358 1.00 0.00 H new ATOM 204 N TRP A 755 1.388 0.128 5.565 1.00 0.00 N ATOM 205 CA TRP A 755 0.060 0.676 5.813 1.00 0.00 C ATOM 206 C TRP A 755 -0.780 0.663 4.540 1.00 0.00 C ATOM 207 O TRP A 755 -0.268 0.415 3.448 1.00 0.00 O ATOM 208 CB TRP A 755 0.166 2.103 6.353 1.00 0.00 C ATOM 209 CG TRP A 755 0.553 3.107 5.309 1.00 0.00 C ATOM 210 CD1 TRP A 755 -0.200 3.513 4.244 1.00 0.00 C ATOM 211 CD2 TRP A 755 1.786 3.829 5.229 1.00 0.00 C ATOM 212 NE1 TRP A 755 0.491 4.444 3.508 1.00 0.00 N ATOM 213 CE2 TRP A 755 1.712 4.656 4.091 1.00 0.00 C ATOM 214 CE3 TRP A 755 2.945 3.859 6.009 1.00 0.00 C ATOM 215 CZ2 TRP A 755 2.753 5.500 3.716 1.00 0.00 C ATOM 216 CZ3 TRP A 755 3.978 4.698 5.636 1.00 0.00 C ATOM 217 CH2 TRP A 755 3.876 5.510 4.498 1.00 0.00 C ATOM 0 H TRP A 755 1.693 0.185 4.593 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.431 0.049 6.558 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.791 2.392 6.787 1.00 0.00 H new ATOM 0 HB3 TRP A 755 0.900 2.125 7.158 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -1.193 3.155 4.015 1.00 0.00 H new ATOM 0 HE1 TRP A 755 0.150 4.903 2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.032 3.237 6.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 2.677 6.125 2.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 4.879 4.728 6.231 1.00 0.00 H new ATOM 0 HH2 TRP A 755 4.700 6.156 4.233 1.00 0.00 H new ATOM 228 N LYS A 756 -2.073 0.932 4.687 1.00 0.00 N ATOM 229 CA LYS A 756 -2.985 0.953 3.549 1.00 0.00 C ATOM 230 C LYS A 756 -3.609 2.334 3.377 1.00 0.00 C ATOM 231 O LYS A 756 -3.600 3.151 4.299 1.00 0.00 O ATOM 232 CB LYS A 756 -4.084 -0.096 3.731 1.00 0.00 C ATOM 233 CG LYS A 756 -5.071 0.243 4.835 1.00 0.00 C ATOM 234 CD LYS A 756 -6.351 -0.566 4.706 1.00 0.00 C ATOM 235 CE LYS A 756 -6.173 -1.980 5.237 1.00 0.00 C ATOM 236 NZ LYS A 756 -6.129 -2.012 6.725 1.00 0.00 N ATOM 0 H LYS A 756 -2.513 1.139 5.584 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.412 0.719 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.626 -0.209 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.623 -1.059 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.614 0.050 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.307 1.307 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -7.153 -0.069 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -6.654 -0.605 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -6.992 -2.606 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -5.252 -2.405 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -6.092 -2.999 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -5.284 -1.506 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -6.980 -1.553 7.107 1.00 0.00 H new ATOM 250 N THR A 757 -4.152 2.590 2.191 1.00 0.00 N ATOM 251 CA THR A 757 -4.780 3.872 1.898 1.00 0.00 C ATOM 252 C THR A 757 -6.088 3.682 1.137 1.00 0.00 C ATOM 253 O THR A 757 -6.241 2.730 0.372 1.00 0.00 O ATOM 254 CB THR A 757 -3.847 4.780 1.074 1.00 0.00 C ATOM 255 OG1 THR A 757 -3.335 4.062 -0.054 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.693 5.285 1.927 1.00 0.00 C ATOM 0 H THR A 757 -4.169 1.926 1.417 1.00 0.00 H new ATOM 0 HA THR A 757 -4.986 4.349 2.856 1.00 0.00 H new ATOM 0 HB THR A 757 -4.424 5.637 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 757 -2.744 4.647 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 757 -2.047 5.924 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 757 -3.085 5.856 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 757 -2.118 4.437 2.300 1.00 0.00 H new ATOM 335 N LEU A 763 -16.045 1.088 1.892 1.00 0.00 N ATOM 336 CA LEU A 763 -15.517 0.152 0.905 1.00 0.00 C ATOM 337 C LEU A 763 -16.647 -0.506 0.119 1.00 0.00 C ATOM 338 O LEU A 763 -17.293 -1.437 0.600 1.00 0.00 O ATOM 339 CB LEU A 763 -14.668 -0.919 1.591 1.00 0.00 C ATOM 340 CG LEU A 763 -13.539 -0.409 2.486 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.085 -1.497 3.447 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.370 0.082 1.643 1.00 0.00 C ATOM 0 HA LEU A 763 -14.892 0.712 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.326 -1.546 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.234 -1.558 0.822 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.917 0.429 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -12.281 -1.115 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -13.923 -1.801 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -12.726 -2.356 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.575 0.441 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -11.993 -0.737 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.703 0.894 0.997 1.00 0.00 H new ATOM 354 N VAL A 764 -16.880 -0.016 -1.095 1.00 0.00 N ATOM 355 CA VAL A 764 -17.930 -0.557 -1.949 1.00 0.00 C ATOM 356 C VAL A 764 -17.339 -1.286 -3.151 1.00 0.00 C ATOM 357 O VAL A 764 -16.124 -1.298 -3.347 1.00 0.00 O ATOM 358 CB VAL A 764 -18.876 0.551 -2.448 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.615 1.188 -1.281 1.00 0.00 C ATOM 360 CG2 VAL A 764 -18.100 1.598 -3.234 1.00 0.00 C ATOM 0 H VAL A 764 -16.355 0.755 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.498 -1.262 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.614 0.103 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -20.279 1.969 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.202 0.429 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.895 1.624 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.783 2.374 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -17.339 2.044 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.621 1.127 -4.093 1.00 0.00 H new ATOM 370 N ARG A 765 -18.208 -1.891 -3.955 1.00 0.00 N ATOM 371 CA ARG A 765 -17.772 -2.622 -5.138 1.00 0.00 C ATOM 372 C ARG A 765 -16.789 -1.792 -5.959 1.00 0.00 C ATOM 373 O ARG A 765 -16.979 -0.591 -6.144 1.00 0.00 O ATOM 374 CB ARG A 765 -18.977 -3.005 -6.000 1.00 0.00 C ATOM 375 CG ARG A 765 -19.794 -4.153 -5.429 1.00 0.00 C ATOM 376 CD ARG A 765 -21.003 -4.462 -6.297 1.00 0.00 C ATOM 377 NE ARG A 765 -22.085 -3.504 -6.090 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.187 -3.468 -6.832 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.352 -4.333 -7.823 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.128 -2.566 -6.581 1.00 0.00 N ATOM 0 H ARG A 765 -19.217 -1.889 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.267 -3.530 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.622 -2.134 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -18.628 -3.278 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.167 -5.041 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -20.123 -3.901 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -20.707 -4.454 -7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.361 -5.467 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 765 -21.990 -2.825 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -22.632 -5.029 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.199 -4.303 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.006 -1.900 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -24.974 -2.539 -7.151 1.00 0.00 H new ATOM 394 N GLY A 766 -15.738 -2.443 -6.449 1.00 0.00 N ATOM 395 CA GLY A 766 -14.741 -1.749 -7.244 1.00 0.00 C ATOM 396 C GLY A 766 -13.643 -1.141 -6.394 1.00 0.00 C ATOM 397 O GLY A 766 -12.500 -1.027 -6.835 1.00 0.00 O ATOM 0 H GLY A 766 -15.559 -3.438 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.300 -2.445 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.225 -0.963 -7.823 1.00 0.00 H new ATOM 401 N ALA A 767 -13.990 -0.749 -5.173 1.00 0.00 N ATOM 402 CA ALA A 767 -13.025 -0.150 -4.260 1.00 0.00 C ATOM 403 C ALA A 767 -11.677 -0.856 -4.345 1.00 0.00 C ATOM 404 O ALA A 767 -11.600 -2.081 -4.253 1.00 0.00 O ATOM 405 CB ALA A 767 -13.554 -0.188 -2.833 1.00 0.00 C ATOM 0 H ALA A 767 -14.933 -0.836 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 767 -12.880 0.889 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.823 0.263 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.490 0.368 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.729 -1.222 -2.537 1.00 0.00 H new ATOM 411 N ARG A 768 -10.615 -0.076 -4.522 1.00 0.00 N ATOM 412 CA ARG A 768 -9.270 -0.628 -4.623 1.00 0.00 C ATOM 413 C ARG A 768 -8.360 -0.041 -3.548 1.00 0.00 C ATOM 414 O ARG A 768 -8.257 1.178 -3.406 1.00 0.00 O ATOM 415 CB ARG A 768 -8.684 -0.352 -6.008 1.00 0.00 C ATOM 416 CG ARG A 768 -9.218 -1.276 -7.091 1.00 0.00 C ATOM 417 CD ARG A 768 -8.353 -1.228 -8.341 1.00 0.00 C ATOM 418 NE ARG A 768 -9.046 -1.769 -9.507 1.00 0.00 N ATOM 419 CZ ARG A 768 -10.039 -1.142 -10.128 1.00 0.00 C ATOM 420 NH1 ARG A 768 -10.452 0.042 -9.697 1.00 0.00 N ATOM 421 NH2 ARG A 768 -10.620 -1.698 -11.183 1.00 0.00 N ATOM 0 H ARG A 768 -10.661 0.940 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.335 -1.706 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -8.899 0.680 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -7.599 -0.451 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -9.256 -2.298 -6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -10.239 -0.991 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -8.060 -0.197 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -7.437 -1.793 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 768 -8.752 -2.678 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -10.007 0.473 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -11.215 0.521 -10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -10.304 -2.608 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -11.382 -1.215 -11.659 1.00 0.00 H new ATOM 435 N ILE A 769 -7.703 -0.915 -2.793 1.00 0.00 N ATOM 436 CA ILE A 769 -6.802 -0.483 -1.732 1.00 0.00 C ATOM 437 C ILE A 769 -5.344 -0.654 -2.145 1.00 0.00 C ATOM 438 O ILE A 769 -5.005 -1.559 -2.909 1.00 0.00 O ATOM 439 CB ILE A 769 -7.050 -1.266 -0.429 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.488 -1.057 0.052 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.060 -0.838 0.643 1.00 0.00 C ATOM 442 CD1 ILE A 769 -8.952 -2.102 1.042 1.00 0.00 C ATOM 0 H ILE A 769 -7.778 -1.927 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.006 0.573 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.904 -2.328 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.569 -0.072 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.155 -1.063 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.248 -1.400 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.044 -1.034 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.177 0.227 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -9.979 -1.891 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.903 -3.088 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.308 -2.081 1.921 1.00 0.00 H new ATOM 454 N THR A 770 -4.483 0.220 -1.633 1.00 0.00 N ATOM 455 CA THR A 770 -3.061 0.166 -1.947 1.00 0.00 C ATOM 456 C THR A 770 -2.229 -0.076 -0.693 1.00 0.00 C ATOM 457 O THR A 770 -2.339 0.660 0.288 1.00 0.00 O ATOM 458 CB THR A 770 -2.585 1.466 -2.623 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.376 1.731 -3.787 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.118 1.368 -3.011 1.00 0.00 C ATOM 0 H THR A 770 -4.746 0.974 -0.999 1.00 0.00 H new ATOM 0 HA THR A 770 -2.922 -0.666 -2.637 1.00 0.00 H new ATOM 0 HB THR A 770 -2.702 2.284 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.068 2.560 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 770 -0.805 2.297 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.516 1.196 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 770 -0.980 0.540 -3.707 1.00 0.00 H new ATOM 468 N TYR A 771 -1.398 -1.111 -0.731 1.00 0.00 N ATOM 469 CA TYR A 771 -0.548 -1.450 0.404 1.00 0.00 C ATOM 470 C TYR A 771 0.852 -0.869 0.230 1.00 0.00 C ATOM 471 O TYR A 771 1.458 -0.992 -0.834 1.00 0.00 O ATOM 472 CB TYR A 771 -0.465 -2.969 0.570 1.00 0.00 C ATOM 473 CG TYR A 771 -1.642 -3.562 1.310 1.00 0.00 C ATOM 474 CD1 TYR A 771 -2.848 -3.798 0.662 1.00 0.00 C ATOM 475 CD2 TYR A 771 -1.548 -3.888 2.658 1.00 0.00 C ATOM 476 CE1 TYR A 771 -3.927 -4.339 1.335 1.00 0.00 C ATOM 477 CE2 TYR A 771 -2.620 -4.431 3.338 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.808 -4.655 2.672 1.00 0.00 C ATOM 479 OH TYR A 771 -4.879 -5.195 3.346 1.00 0.00 O ATOM 0 H TYR A 771 -1.295 -1.730 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.992 -1.017 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.396 -3.431 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.452 -3.218 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -2.944 -3.554 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -0.620 -3.714 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -4.858 -4.513 0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -2.529 -4.679 4.385 1.00 0.00 H new ATOM 0 HH TYR A 771 -4.629 -5.360 4.279 1.00 0.00 H new ATOM 489 N GLN A 772 1.358 -0.236 1.283 1.00 0.00 N ATOM 490 CA GLN A 772 2.686 0.364 1.248 1.00 0.00 C ATOM 491 C GLN A 772 3.545 -0.144 2.401 1.00 0.00 C ATOM 492 O GLN A 772 3.184 0.003 3.569 1.00 0.00 O ATOM 493 CB GLN A 772 2.582 1.889 1.308 1.00 0.00 C ATOM 494 CG GLN A 772 2.433 2.543 -0.056 1.00 0.00 C ATOM 495 CD GLN A 772 1.670 3.852 0.004 1.00 0.00 C ATOM 496 OE1 GLN A 772 2.238 4.925 -0.200 1.00 0.00 O ATOM 497 NE2 GLN A 772 0.375 3.770 0.284 1.00 0.00 N ATOM 0 H GLN A 772 0.868 -0.125 2.171 1.00 0.00 H new ATOM 0 HA GLN A 772 3.162 0.076 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.728 2.162 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 772 3.471 2.287 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.422 2.722 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 772 1.918 1.857 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 772 -0.055 2.859 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 772 -0.190 4.618 0.337 1.00 0.00 H new ATOM 506 N CYS A 773 4.683 -0.743 2.066 1.00 0.00 N ATOM 507 CA CYS A 773 5.593 -1.275 3.073 1.00 0.00 C ATOM 508 C CYS A 773 6.800 -0.359 3.252 1.00 0.00 C ATOM 509 O CYS A 773 6.964 0.620 2.523 1.00 0.00 O ATOM 510 CB CYS A 773 6.058 -2.679 2.679 1.00 0.00 C ATOM 511 SG CYS A 773 4.705 -3.883 2.485 1.00 0.00 S ATOM 0 H CYS A 773 4.997 -0.872 1.104 1.00 0.00 H new ATOM 0 HA CYS A 773 5.056 -1.330 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.612 -2.617 1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.751 -3.046 3.436 1.00 0.00 H new ATOM 516 N ASP A 774 7.642 -0.684 4.227 1.00 0.00 N ATOM 517 CA ASP A 774 8.835 0.108 4.502 1.00 0.00 C ATOM 518 C ASP A 774 9.758 0.141 3.288 1.00 0.00 C ATOM 519 O ASP A 774 9.718 -0.735 2.423 1.00 0.00 O ATOM 520 CB ASP A 774 9.582 -0.458 5.711 1.00 0.00 C ATOM 521 CG ASP A 774 8.915 -0.099 7.024 1.00 0.00 C ATOM 522 OD1 ASP A 774 8.579 1.089 7.213 1.00 0.00 O ATOM 523 OD2 ASP A 774 8.730 -1.005 7.863 1.00 0.00 O ATOM 0 H ASP A 774 7.520 -1.490 4.840 1.00 0.00 H new ATOM 0 HA ASP A 774 8.520 1.128 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.642 -1.543 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.605 -0.081 5.711 1.00 0.00 H new ATOM 528 N PRO A 775 10.610 1.175 3.219 1.00 0.00 N ATOM 529 CA PRO A 775 11.559 1.346 2.115 1.00 0.00 C ATOM 530 C PRO A 775 12.672 0.305 2.139 1.00 0.00 C ATOM 531 O PRO A 775 13.539 0.329 3.012 1.00 0.00 O ATOM 532 CB PRO A 775 12.131 2.746 2.353 1.00 0.00 C ATOM 533 CG PRO A 775 11.971 2.976 3.816 1.00 0.00 C ATOM 534 CD PRO A 775 10.713 2.255 4.214 1.00 0.00 C ATOM 0 HA PRO A 775 11.079 1.225 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.178 2.802 2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.594 3.497 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.830 2.594 4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.897 4.041 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.779 1.862 5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.845 2.914 4.183 1.00 0.00 H new ATOM 542 N GLY A 776 12.642 -0.610 1.175 1.00 0.00 N ATOM 543 CA GLY A 776 13.654 -1.648 1.105 1.00 0.00 C ATOM 544 C GLY A 776 13.055 -3.037 1.020 1.00 0.00 C ATOM 545 O GLY A 776 13.754 -4.005 0.718 1.00 0.00 O ATOM 0 H GLY A 776 11.935 -0.651 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.288 -1.475 0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.295 -1.586 1.984 1.00 0.00 H new ATOM 549 N TYR A 777 11.758 -3.138 1.289 1.00 0.00 N ATOM 550 CA TYR A 777 11.066 -4.420 1.246 1.00 0.00 C ATOM 551 C TYR A 777 10.199 -4.530 -0.005 1.00 0.00 C ATOM 552 O TYR A 777 10.134 -3.603 -0.812 1.00 0.00 O ATOM 553 CB TYR A 777 10.202 -4.600 2.495 1.00 0.00 C ATOM 554 CG TYR A 777 10.996 -4.933 3.738 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.911 -4.030 4.265 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.830 -6.151 4.386 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.639 -4.331 5.399 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.553 -6.460 5.522 1.00 0.00 C ATOM 559 CZ TYR A 777 12.456 -5.547 6.025 1.00 0.00 C ATOM 560 OH TYR A 777 13.179 -5.850 7.156 1.00 0.00 O ATOM 0 H TYR A 777 11.165 -2.347 1.539 1.00 0.00 H new ATOM 0 HA TYR A 777 11.818 -5.208 1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.636 -3.685 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.477 -5.394 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 777 12.055 -3.076 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.124 -6.868 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.348 -3.618 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.412 -7.411 6.013 1.00 0.00 H new ATOM 0 HH TYR A 777 12.931 -6.743 7.473 1.00 0.00 H new ATOM 570 N ASP A 778 9.535 -5.671 -0.158 1.00 0.00 N ATOM 571 CA ASP A 778 8.671 -5.903 -1.310 1.00 0.00 C ATOM 572 C ASP A 778 7.396 -6.630 -0.894 1.00 0.00 C ATOM 573 O ASP A 778 7.387 -7.376 0.086 1.00 0.00 O ATOM 574 CB ASP A 778 9.411 -6.714 -2.375 1.00 0.00 C ATOM 575 CG ASP A 778 10.518 -5.921 -3.040 1.00 0.00 C ATOM 576 OD1 ASP A 778 10.207 -5.088 -3.917 1.00 0.00 O ATOM 577 OD2 ASP A 778 11.697 -6.134 -2.686 1.00 0.00 O ATOM 0 H ASP A 778 9.578 -6.449 0.500 1.00 0.00 H new ATOM 0 HA ASP A 778 8.396 -4.935 -1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 778 9.833 -7.609 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 778 8.701 -7.047 -3.132 1.00 0.00 H new ATOM 582 N ILE A 779 6.322 -6.407 -1.644 1.00 0.00 N ATOM 583 CA ILE A 779 5.043 -7.042 -1.353 1.00 0.00 C ATOM 584 C ILE A 779 4.917 -8.382 -2.070 1.00 0.00 C ATOM 585 O ILE A 779 5.249 -8.501 -3.249 1.00 0.00 O ATOM 586 CB ILE A 779 3.862 -6.141 -1.762 1.00 0.00 C ATOM 587 CG1 ILE A 779 3.845 -4.868 -0.914 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.548 -6.895 -1.623 1.00 0.00 C ATOM 589 CD1 ILE A 779 2.691 -3.944 -1.233 1.00 0.00 C ATOM 0 H ILE A 779 6.312 -5.792 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 779 5.010 -7.205 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 779 3.986 -5.856 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 779 3.798 -5.144 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 779 4.782 -4.330 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 779 1.723 -6.245 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.563 -7.774 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.415 -7.206 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 779 2.743 -3.063 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.748 -3.638 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 779 1.749 -4.464 -1.058 1.00 0.00 H new ATOM 601 N VAL A 780 4.435 -9.389 -1.349 1.00 0.00 N ATOM 602 CA VAL A 780 4.262 -10.721 -1.916 1.00 0.00 C ATOM 603 C VAL A 780 2.786 -11.047 -2.114 1.00 0.00 C ATOM 604 O VAL A 780 2.062 -11.303 -1.153 1.00 0.00 O ATOM 605 CB VAL A 780 4.900 -11.800 -1.020 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.713 -13.180 -1.631 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.374 -11.502 -0.796 1.00 0.00 C ATOM 0 H VAL A 780 4.157 -9.308 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 780 4.763 -10.720 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 780 4.399 -11.787 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 780 5.170 -13.929 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.649 -13.391 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 780 5.186 -13.211 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.809 -12.274 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.892 -11.487 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.479 -10.532 -0.311 1.00 0.00 H new ATOM 617 N GLY A 781 2.346 -11.037 -3.369 1.00 0.00 N ATOM 618 CA GLY A 781 0.958 -11.334 -3.671 1.00 0.00 C ATOM 619 C GLY A 781 0.302 -10.252 -4.505 1.00 0.00 C ATOM 620 O GLY A 781 0.956 -9.609 -5.325 1.00 0.00 O ATOM 0 H GLY A 781 2.926 -10.829 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.900 -12.284 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.405 -11.456 -2.740 1.00 0.00 H new ATOM 624 N SER A 782 -0.995 -10.051 -4.295 1.00 0.00 N ATOM 625 CA SER A 782 -1.742 -9.042 -5.038 1.00 0.00 C ATOM 626 C SER A 782 -1.599 -7.670 -4.386 1.00 0.00 C ATOM 627 O SER A 782 -2.231 -7.386 -3.368 1.00 0.00 O ATOM 628 CB SER A 782 -3.220 -9.429 -5.121 1.00 0.00 C ATOM 629 OG SER A 782 -3.761 -9.651 -3.830 1.00 0.00 O ATOM 0 H SER A 782 -1.550 -10.573 -3.617 1.00 0.00 H new ATOM 0 HA SER A 782 -1.331 -8.990 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.779 -8.639 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.330 -10.330 -5.725 1.00 0.00 H new ATOM 0 HG SER A 782 -3.325 -9.055 -3.186 1.00 0.00 H new ATOM 635 N ASP A 783 -0.765 -6.824 -4.979 1.00 0.00 N ATOM 636 CA ASP A 783 -0.539 -5.481 -4.458 1.00 0.00 C ATOM 637 C ASP A 783 -1.835 -4.677 -4.447 1.00 0.00 C ATOM 638 O ASP A 783 -2.059 -3.850 -3.562 1.00 0.00 O ATOM 639 CB ASP A 783 0.518 -4.758 -5.293 1.00 0.00 C ATOM 640 CG ASP A 783 -0.082 -4.020 -6.474 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.711 -4.680 -7.327 1.00 0.00 O ATOM 642 OD2 ASP A 783 0.078 -2.784 -6.546 1.00 0.00 O ATOM 0 H ASP A 783 -0.234 -7.044 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.181 -5.571 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 783 1.055 -4.051 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.249 -5.481 -5.654 1.00 0.00 H new ATOM 647 N THR A 784 -2.687 -4.923 -5.438 1.00 0.00 N ATOM 648 CA THR A 784 -3.959 -4.221 -5.545 1.00 0.00 C ATOM 649 C THR A 784 -5.131 -5.166 -5.302 1.00 0.00 C ATOM 650 O THR A 784 -5.288 -6.169 -6.000 1.00 0.00 O ATOM 651 CB THR A 784 -4.124 -3.563 -6.927 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.083 -2.602 -7.139 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.479 -2.883 -7.045 1.00 0.00 C ATOM 0 H THR A 784 -2.518 -5.604 -6.178 1.00 0.00 H new ATOM 0 HA THR A 784 -3.956 -3.445 -4.780 1.00 0.00 H new ATOM 0 HB THR A 784 -4.059 -4.343 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 784 -3.194 -2.189 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.572 -2.425 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.270 -3.622 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.568 -2.114 -6.278 1.00 0.00 H new ATOM 661 N LEU A 785 -5.951 -4.841 -4.310 1.00 0.00 N ATOM 662 CA LEU A 785 -7.111 -5.661 -3.975 1.00 0.00 C ATOM 663 C LEU A 785 -8.405 -4.972 -4.396 1.00 0.00 C ATOM 664 O LEU A 785 -8.583 -3.773 -4.177 1.00 0.00 O ATOM 665 CB LEU A 785 -7.139 -5.951 -2.474 1.00 0.00 C ATOM 666 CG LEU A 785 -6.217 -7.070 -1.989 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.778 -6.789 -2.393 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.326 -7.235 -0.480 1.00 0.00 C ATOM 0 H LEU A 785 -5.835 -4.015 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.029 -6.602 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.877 -5.036 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.161 -6.202 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.530 -8.002 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -4.137 -7.596 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.711 -6.722 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.453 -5.847 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.663 -8.036 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -6.040 -6.304 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.354 -7.484 -0.214 1.00 0.00 H new ATOM 680 N THR A 786 -9.308 -5.738 -5.001 1.00 0.00 N ATOM 681 CA THR A 786 -10.586 -5.202 -5.451 1.00 0.00 C ATOM 682 C THR A 786 -11.750 -5.906 -4.764 1.00 0.00 C ATOM 683 O THR A 786 -11.651 -7.078 -4.397 1.00 0.00 O ATOM 684 CB THR A 786 -10.746 -5.340 -6.977 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.493 -5.092 -7.626 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.794 -4.370 -7.501 1.00 0.00 C ATOM 0 H THR A 786 -9.177 -6.732 -5.190 1.00 0.00 H new ATOM 0 HA THR A 786 -10.597 -4.145 -5.185 1.00 0.00 H new ATOM 0 HB THR A 786 -11.073 -6.357 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.603 -5.183 -8.596 1.00 0.00 H new ATOM 0 HG21 THR A 786 -11.889 -4.486 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.753 -4.580 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.492 -3.348 -7.271 1.00 0.00 H new ATOM 694 N CYS A 787 -12.854 -5.186 -4.594 1.00 0.00 N ATOM 695 CA CYS A 787 -14.038 -5.742 -3.950 1.00 0.00 C ATOM 696 C CYS A 787 -15.018 -6.282 -4.988 1.00 0.00 C ATOM 697 O CYS A 787 -15.668 -5.516 -5.699 1.00 0.00 O ATOM 698 CB CYS A 787 -14.724 -4.678 -3.091 1.00 0.00 C ATOM 699 SG CYS A 787 -15.996 -5.337 -1.966 1.00 0.00 S ATOM 0 H CYS A 787 -12.953 -4.216 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.721 -6.566 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -13.968 -4.158 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.182 -3.937 -3.746 1.00 0.00 H new ATOM 704 N GLN A 788 -15.117 -7.605 -5.068 1.00 0.00 N ATOM 705 CA GLN A 788 -16.016 -8.247 -6.019 1.00 0.00 C ATOM 706 C GLN A 788 -17.470 -7.902 -5.712 1.00 0.00 C ATOM 707 O GLN A 788 -17.792 -7.453 -4.612 1.00 0.00 O ATOM 708 CB GLN A 788 -15.823 -9.764 -5.992 1.00 0.00 C ATOM 709 CG GLN A 788 -14.448 -10.211 -6.463 1.00 0.00 C ATOM 710 CD GLN A 788 -14.340 -11.717 -6.602 1.00 0.00 C ATOM 711 OE1 GLN A 788 -14.388 -12.255 -7.709 1.00 0.00 O ATOM 712 NE2 GLN A 788 -14.192 -12.406 -5.477 1.00 0.00 N ATOM 0 H GLN A 788 -14.586 -8.253 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.776 -7.875 -7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.985 -10.124 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.582 -10.230 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.228 -9.745 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.695 -9.860 -5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -14.157 -11.919 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -14.113 -13.422 -5.508 1.00 0.00 H new ATOM 721 N TRP A 789 -18.342 -8.115 -6.690 1.00 0.00 N ATOM 722 CA TRP A 789 -19.762 -7.826 -6.524 1.00 0.00 C ATOM 723 C TRP A 789 -20.343 -8.608 -5.351 1.00 0.00 C ATOM 724 O TRP A 789 -21.420 -8.285 -4.850 1.00 0.00 O ATOM 725 CB TRP A 789 -20.526 -8.162 -7.806 1.00 0.00 C ATOM 726 CG TRP A 789 -19.814 -7.729 -9.052 1.00 0.00 C ATOM 727 CD1 TRP A 789 -19.677 -6.451 -9.515 1.00 0.00 C ATOM 728 CD2 TRP A 789 -19.145 -8.573 -9.994 1.00 0.00 C ATOM 729 NE1 TRP A 789 -18.963 -6.451 -10.689 1.00 0.00 N ATOM 730 CE2 TRP A 789 -18.624 -7.740 -11.003 1.00 0.00 C ATOM 731 CE3 TRP A 789 -18.933 -9.952 -10.082 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -17.907 -8.242 -12.086 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -18.221 -10.448 -11.158 1.00 0.00 C ATOM 734 CH2 TRP A 789 -17.715 -9.596 -12.147 1.00 0.00 C ATOM 0 H TRP A 789 -18.091 -8.487 -7.606 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.868 -6.762 -6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -20.696 -9.238 -7.848 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -21.506 -7.686 -7.772 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -20.072 -5.571 -9.030 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -18.724 -5.625 -11.238 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -19.318 -10.617 -9.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -17.516 -7.587 -12.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -18.052 -11.512 -11.237 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -17.162 -10.015 -12.975 1.00 0.00 H new ATOM 745 N ASP A 790 -19.624 -9.638 -4.918 1.00 0.00 N ATOM 746 CA ASP A 790 -20.068 -10.466 -3.803 1.00 0.00 C ATOM 747 C ASP A 790 -19.387 -10.041 -2.506 1.00 0.00 C ATOM 748 O ASP A 790 -19.323 -10.810 -1.545 1.00 0.00 O ATOM 749 CB ASP A 790 -19.778 -11.940 -4.087 1.00 0.00 C ATOM 750 CG ASP A 790 -20.847 -12.586 -4.946 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.315 -11.933 -5.903 1.00 0.00 O ATOM 752 OD2 ASP A 790 -21.215 -13.745 -4.663 1.00 0.00 O ATOM 0 H ASP A 790 -18.731 -9.919 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 790 -21.144 -10.332 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.813 -12.028 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -19.699 -12.480 -3.143 1.00 0.00 H new ATOM 757 N LEU A 791 -18.879 -8.814 -2.485 1.00 0.00 N ATOM 758 CA LEU A 791 -18.201 -8.287 -1.306 1.00 0.00 C ATOM 759 C LEU A 791 -17.062 -9.207 -0.875 1.00 0.00 C ATOM 760 O LEU A 791 -16.669 -9.220 0.291 1.00 0.00 O ATOM 761 CB LEU A 791 -19.195 -8.115 -0.156 1.00 0.00 C ATOM 762 CG LEU A 791 -20.409 -7.232 -0.446 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.298 -7.127 0.784 1.00 0.00 C ATOM 764 CD2 LEU A 791 -19.967 -5.851 -0.906 1.00 0.00 C ATOM 0 H LEU A 791 -18.924 -8.165 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 791 -17.781 -7.315 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.551 -9.102 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -18.663 -7.697 0.699 1.00 0.00 H new ATOM 0 HG LEU A 791 -20.986 -7.692 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.157 -6.495 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -21.643 -8.121 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -20.731 -6.690 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -20.844 -5.237 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -19.367 -5.382 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.372 -5.943 -1.815 1.00 0.00 H new ATOM 776 N SER A 792 -16.536 -9.973 -1.825 1.00 0.00 N ATOM 777 CA SER A 792 -15.444 -10.897 -1.544 1.00 0.00 C ATOM 778 C SER A 792 -14.145 -10.413 -2.182 1.00 0.00 C ATOM 779 O SER A 792 -14.090 -10.155 -3.384 1.00 0.00 O ATOM 780 CB SER A 792 -15.786 -12.297 -2.058 1.00 0.00 C ATOM 781 OG SER A 792 -17.029 -12.740 -1.541 1.00 0.00 O ATOM 0 H SER A 792 -16.848 -9.972 -2.796 1.00 0.00 H new ATOM 0 HA SER A 792 -15.306 -10.938 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.824 -12.289 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 792 -15.000 -12.995 -1.771 1.00 0.00 H new ATOM 0 HG SER A 792 -17.722 -12.078 -1.744 1.00 0.00 H new ATOM 787 N TRP A 793 -13.103 -10.292 -1.368 1.00 0.00 N ATOM 788 CA TRP A 793 -11.803 -9.839 -1.852 1.00 0.00 C ATOM 789 C TRP A 793 -11.185 -10.866 -2.794 1.00 0.00 C ATOM 790 O TRP A 793 -11.207 -12.066 -2.520 1.00 0.00 O ATOM 791 CB TRP A 793 -10.862 -9.576 -0.675 1.00 0.00 C ATOM 792 CG TRP A 793 -11.171 -8.308 0.061 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.622 -8.195 1.345 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.054 -6.973 -0.444 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.792 -6.870 1.669 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.450 -6.101 0.589 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.652 -6.430 -1.667 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.455 -4.717 0.433 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.659 -5.057 -1.821 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.057 -4.213 -0.776 1.00 0.00 C ATOM 0 H TRP A 793 -13.132 -10.501 -0.370 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.951 -8.911 -2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.918 -10.414 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.836 -9.534 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.817 -9.025 2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.120 -6.517 2.568 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.341 -7.072 -2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -11.762 -4.065 1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.352 -4.627 -2.763 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.050 -3.144 -0.927 1.00 0.00 H new ATOM 811 N SER A 794 -10.635 -10.387 -3.905 1.00 0.00 N ATOM 812 CA SER A 794 -10.013 -11.264 -4.890 1.00 0.00 C ATOM 813 C SER A 794 -9.285 -12.418 -4.207 1.00 0.00 C ATOM 814 O SER A 794 -9.389 -13.570 -4.630 1.00 0.00 O ATOM 815 CB SER A 794 -9.035 -10.475 -5.763 1.00 0.00 C ATOM 816 OG SER A 794 -8.789 -11.145 -6.987 1.00 0.00 O ATOM 0 H SER A 794 -10.607 -9.396 -4.146 1.00 0.00 H new ATOM 0 HA SER A 794 -10.801 -11.676 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.440 -9.483 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.096 -10.334 -5.227 1.00 0.00 H new ATOM 0 HG SER A 794 -8.163 -10.620 -7.527 1.00 0.00 H new ATOM 822 N SER A 795 -8.548 -12.100 -3.148 1.00 0.00 N ATOM 823 CA SER A 795 -7.799 -13.109 -2.407 1.00 0.00 C ATOM 824 C SER A 795 -7.182 -12.510 -1.147 1.00 0.00 C ATOM 825 O SER A 795 -7.139 -11.291 -0.982 1.00 0.00 O ATOM 826 CB SER A 795 -6.702 -13.710 -3.289 1.00 0.00 C ATOM 827 OG SER A 795 -7.239 -14.660 -4.193 1.00 0.00 O ATOM 0 H SER A 795 -8.453 -11.152 -2.784 1.00 0.00 H new ATOM 0 HA SER A 795 -8.492 -13.897 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 795 -6.202 -12.917 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.947 -14.185 -2.663 1.00 0.00 H new ATOM 0 HG SER A 795 -8.215 -14.682 -4.104 1.00 0.00 H new ATOM 833 N ASP A 796 -6.706 -13.377 -0.260 1.00 0.00 N ATOM 834 CA ASP A 796 -6.090 -12.936 0.986 1.00 0.00 C ATOM 835 C ASP A 796 -5.146 -11.764 0.741 1.00 0.00 C ATOM 836 O ASP A 796 -4.578 -11.608 -0.341 1.00 0.00 O ATOM 837 CB ASP A 796 -5.330 -14.091 1.641 1.00 0.00 C ATOM 838 CG ASP A 796 -3.943 -14.275 1.059 1.00 0.00 C ATOM 839 OD1 ASP A 796 -3.843 -14.626 -0.135 1.00 0.00 O ATOM 840 OD2 ASP A 796 -2.956 -14.068 1.797 1.00 0.00 O ATOM 0 H ASP A 796 -6.735 -14.389 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 796 -6.883 -12.606 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -5.250 -13.908 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -5.898 -15.013 1.517 1.00 0.00 H new ATOM 845 N PRO A 797 -4.974 -10.917 1.767 1.00 0.00 N ATOM 846 CA PRO A 797 -4.099 -9.743 1.687 1.00 0.00 C ATOM 847 C PRO A 797 -2.624 -10.123 1.624 1.00 0.00 C ATOM 848 O PRO A 797 -2.186 -11.111 2.215 1.00 0.00 O ATOM 849 CB PRO A 797 -4.402 -8.986 2.982 1.00 0.00 C ATOM 850 CG PRO A 797 -4.890 -10.030 3.926 1.00 0.00 C ATOM 851 CD PRO A 797 -5.619 -11.041 3.085 1.00 0.00 C ATOM 0 HA PRO A 797 -4.281 -9.160 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.512 -8.489 3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.155 -8.214 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.060 -10.492 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.551 -9.598 4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.517 -12.048 3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.686 -10.825 3.032 1.00 0.00 H new ATOM 859 N PRO A 798 -1.836 -9.321 0.892 1.00 0.00 N ATOM 860 CA PRO A 798 -0.397 -9.553 0.736 1.00 0.00 C ATOM 861 C PRO A 798 0.374 -9.296 2.026 1.00 0.00 C ATOM 862 O PRO A 798 -0.216 -9.160 3.098 1.00 0.00 O ATOM 863 CB PRO A 798 0.010 -8.543 -0.340 1.00 0.00 C ATOM 864 CG PRO A 798 -1.005 -7.457 -0.244 1.00 0.00 C ATOM 865 CD PRO A 798 -2.290 -8.126 0.161 1.00 0.00 C ATOM 0 HA PRO A 798 -0.177 -10.588 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.016 -8.161 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 798 0.010 -8.998 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.707 -6.708 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -1.117 -6.942 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.900 -7.478 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.896 -8.391 -0.706 1.00 0.00 H new ATOM 873 N PHE A 799 1.697 -9.231 1.916 1.00 0.00 N ATOM 874 CA PHE A 799 2.550 -8.991 3.075 1.00 0.00 C ATOM 875 C PHE A 799 3.872 -8.356 2.655 1.00 0.00 C ATOM 876 O PHE A 799 4.184 -8.273 1.467 1.00 0.00 O ATOM 877 CB PHE A 799 2.814 -10.301 3.820 1.00 0.00 C ATOM 878 CG PHE A 799 3.010 -11.480 2.910 1.00 0.00 C ATOM 879 CD1 PHE A 799 1.937 -12.033 2.230 1.00 0.00 C ATOM 880 CD2 PHE A 799 4.267 -12.034 2.734 1.00 0.00 C ATOM 881 CE1 PHE A 799 2.113 -13.117 1.392 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.450 -13.118 1.896 1.00 0.00 C ATOM 883 CZ PHE A 799 3.372 -13.661 1.225 1.00 0.00 C ATOM 0 H PHE A 799 2.202 -9.341 1.036 1.00 0.00 H new ATOM 0 HA PHE A 799 2.031 -8.301 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.700 -10.183 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.978 -10.504 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 799 0.951 -11.611 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 799 5.114 -11.615 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.268 -13.539 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.436 -13.540 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.513 -14.509 0.571 1.00 0.00 H new ATOM 893 N CYS A 800 4.645 -7.909 3.638 1.00 0.00 N ATOM 894 CA CYS A 800 5.934 -7.280 3.373 1.00 0.00 C ATOM 895 C CYS A 800 7.079 -8.252 3.640 1.00 0.00 C ATOM 896 O CYS A 800 7.159 -8.853 4.711 1.00 0.00 O ATOM 897 CB CYS A 800 6.101 -6.028 4.237 1.00 0.00 C ATOM 898 SG CYS A 800 4.647 -4.931 4.247 1.00 0.00 S ATOM 0 H CYS A 800 4.402 -7.970 4.627 1.00 0.00 H new ATOM 0 HA CYS A 800 5.961 -6.994 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.320 -6.333 5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 800 6.964 -5.466 3.880 1.00 0.00 H new ATOM 903 N GLU A 801 7.962 -8.401 2.658 1.00 0.00 N ATOM 904 CA GLU A 801 9.102 -9.301 2.787 1.00 0.00 C ATOM 905 C GLU A 801 10.357 -8.681 2.178 1.00 0.00 C ATOM 906 O GLU A 801 10.359 -8.266 1.019 1.00 0.00 O ATOM 907 CB GLU A 801 8.803 -10.640 2.110 1.00 0.00 C ATOM 908 CG GLU A 801 9.968 -11.615 2.146 1.00 0.00 C ATOM 909 CD GLU A 801 9.640 -12.940 1.486 1.00 0.00 C ATOM 910 OE1 GLU A 801 8.439 -13.264 1.370 1.00 0.00 O ATOM 911 OE2 GLU A 801 10.584 -13.653 1.085 1.00 0.00 O ATOM 0 H GLU A 801 7.910 -7.911 1.765 1.00 0.00 H new ATOM 0 HA GLU A 801 9.279 -9.470 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.942 -11.098 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.524 -10.458 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 801 10.827 -11.167 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 801 10.258 -11.791 3.182 1.00 0.00 H new ATOM 918 N LYS A 802 11.423 -8.620 2.969 1.00 0.00 N ATOM 919 CA LYS A 802 12.685 -8.051 2.510 1.00 0.00 C ATOM 920 C LYS A 802 13.087 -8.637 1.161 1.00 0.00 C ATOM 921 O LYS A 802 12.924 -9.834 0.918 1.00 0.00 O ATOM 922 CB LYS A 802 13.787 -8.308 3.540 1.00 0.00 C ATOM 923 CG LYS A 802 14.854 -7.227 3.572 1.00 0.00 C ATOM 924 CD LYS A 802 16.208 -7.790 3.969 1.00 0.00 C ATOM 925 CE LYS A 802 17.051 -6.755 4.697 1.00 0.00 C ATOM 926 NZ LYS A 802 18.456 -7.212 4.878 1.00 0.00 N ATOM 0 H LYS A 802 11.438 -8.958 3.931 1.00 0.00 H new ATOM 0 HA LYS A 802 12.550 -6.976 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.336 -8.391 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 802 14.259 -9.266 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 802 14.928 -6.758 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.562 -6.448 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 802 16.067 -8.661 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 802 16.737 -8.130 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.043 -5.820 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 802 16.609 -6.546 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 18.998 -6.479 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 18.466 -8.090 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 18.887 -7.387 3.948 1.00 0.00 H new