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 Set 1.1: A 777 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 753 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 THR OG1 : rot 30:sc= -0.176 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 110:sc=-0.00159 USER MOD Single : A 772 GLN : amide:sc= -0.805 K(o=-0.81,f=-0.17) USER MOD Single : A 782 SER OG : rot -103:sc= 0.222 USER MOD Single : A 784 THR OG1 : rot 67:sc= 0.64 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 792 SER OG : rot 67:sc= 0.118 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -21.010 -3.365 1.454 1.00 0.00 N ATOM 60 CA GLY A 744 -19.675 -3.377 0.886 1.00 0.00 C ATOM 61 C GLY A 744 -18.791 -4.441 1.505 1.00 0.00 C ATOM 62 O GLY A 744 -19.208 -5.151 2.420 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.742 -3.545 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -19.215 -2.399 1.027 1.00 0.00 H new ATOM 66 N CYS A 745 -17.565 -4.553 1.005 1.00 0.00 N ATOM 67 CA CYS A 745 -16.619 -5.540 1.512 1.00 0.00 C ATOM 68 C CYS A 745 -16.382 -5.347 3.007 1.00 0.00 C ATOM 69 O CYS A 745 -16.828 -4.362 3.595 1.00 0.00 O ATOM 70 CB CYS A 745 -15.291 -5.439 0.758 1.00 0.00 C ATOM 71 SG CYS A 745 -15.197 -6.494 -0.725 1.00 0.00 S ATOM 0 H CYS A 745 -17.203 -3.972 0.249 1.00 0.00 H new ATOM 0 HA CYS A 745 -17.045 -6.530 1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -15.130 -4.402 0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.480 -5.708 1.434 1.00 0.00 H new ATOM 76 N SER A 746 -15.677 -6.296 3.616 1.00 0.00 N ATOM 77 CA SER A 746 -15.383 -6.233 5.043 1.00 0.00 C ATOM 78 C SER A 746 -14.067 -5.504 5.296 1.00 0.00 C ATOM 79 O SER A 746 -13.291 -5.262 4.371 1.00 0.00 O ATOM 80 CB SER A 746 -15.321 -7.642 5.635 1.00 0.00 C ATOM 81 OG SER A 746 -15.552 -7.620 7.032 1.00 0.00 O ATOM 0 H SER A 746 -15.299 -7.117 3.143 1.00 0.00 H new ATOM 0 HA SER A 746 -16.185 -5.677 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 746 -16.064 -8.276 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.345 -8.082 5.432 1.00 0.00 H new ATOM 0 HG SER A 746 -15.509 -8.533 7.385 1.00 0.00 H new ATOM 87 N ASP A 747 -13.823 -5.156 6.554 1.00 0.00 N ATOM 88 CA ASP A 747 -12.601 -4.456 6.931 1.00 0.00 C ATOM 89 C ASP A 747 -11.410 -5.409 6.942 1.00 0.00 C ATOM 90 O ASP A 747 -11.481 -6.502 7.506 1.00 0.00 O ATOM 91 CB ASP A 747 -12.763 -3.805 8.305 1.00 0.00 C ATOM 92 CG ASP A 747 -13.528 -4.685 9.275 1.00 0.00 C ATOM 93 OD1 ASP A 747 -13.288 -5.911 9.281 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.365 -4.147 10.029 1.00 0.00 O ATOM 0 H ASP A 747 -14.456 -5.347 7.331 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.414 -3.679 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.779 -3.584 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.283 -2.853 8.194 1.00 0.00 H new ATOM 99 N LEU A 748 -10.316 -4.988 6.317 1.00 0.00 N ATOM 100 CA LEU A 748 -9.109 -5.805 6.254 1.00 0.00 C ATOM 101 C LEU A 748 -8.259 -5.617 7.507 1.00 0.00 C ATOM 102 O LEU A 748 -8.284 -4.569 8.153 1.00 0.00 O ATOM 103 CB LEU A 748 -8.292 -5.447 5.011 1.00 0.00 C ATOM 104 CG LEU A 748 -8.902 -5.850 3.668 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.110 -5.245 2.519 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.958 -7.365 3.540 1.00 0.00 C ATOM 0 H LEU A 748 -10.240 -4.086 5.847 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.410 -6.851 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -8.130 -4.369 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.312 -5.916 5.098 1.00 0.00 H new ATOM 0 HG LEU A 748 -9.920 -5.464 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.559 -5.543 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.123 -4.158 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.080 -5.600 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.395 -7.633 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.950 -7.773 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.570 -7.776 4.343 1.00 0.00 H new ATOM 118 N PRO A 749 -7.485 -6.655 7.858 1.00 0.00 N ATOM 119 CA PRO A 749 -6.611 -6.628 9.035 1.00 0.00 C ATOM 120 C PRO A 749 -5.428 -5.681 8.856 1.00 0.00 C ATOM 121 O PRO A 749 -5.153 -5.220 7.748 1.00 0.00 O ATOM 122 CB PRO A 749 -6.125 -8.075 9.149 1.00 0.00 C ATOM 123 CG PRO A 749 -6.223 -8.618 7.765 1.00 0.00 C ATOM 124 CD PRO A 749 -7.405 -7.935 7.135 1.00 0.00 C ATOM 0 HA PRO A 749 -7.132 -6.268 9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.101 -8.121 9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.742 -8.646 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.311 -8.418 7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.359 -9.699 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.259 -7.784 6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.317 -8.520 7.252 1.00 0.00 H new ATOM 132 N GLU A 750 -4.733 -5.397 9.952 1.00 0.00 N ATOM 133 CA GLU A 750 -3.580 -4.505 9.915 1.00 0.00 C ATOM 134 C GLU A 750 -2.373 -5.201 9.291 1.00 0.00 C ATOM 135 O GLU A 750 -2.183 -6.406 9.461 1.00 0.00 O ATOM 136 CB GLU A 750 -3.233 -4.024 11.325 1.00 0.00 C ATOM 137 CG GLU A 750 -4.252 -3.059 11.907 1.00 0.00 C ATOM 138 CD GLU A 750 -4.365 -1.776 11.107 1.00 0.00 C ATOM 139 OE1 GLU A 750 -3.322 -1.273 10.641 1.00 0.00 O ATOM 140 OE2 GLU A 750 -5.498 -1.275 10.947 1.00 0.00 O ATOM 0 H GLU A 750 -4.948 -5.771 10.876 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.839 -3.644 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -3.146 -4.888 11.983 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -2.257 -3.540 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -5.227 -3.546 11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -3.975 -2.819 12.933 1.00 0.00 H new ATOM 147 N ILE A 751 -1.562 -4.434 8.571 1.00 0.00 N ATOM 148 CA ILE A 751 -0.374 -4.976 7.923 1.00 0.00 C ATOM 149 C ILE A 751 0.882 -4.661 8.727 1.00 0.00 C ATOM 150 O ILE A 751 0.978 -3.611 9.361 1.00 0.00 O ATOM 151 CB ILE A 751 -0.209 -4.422 6.495 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.145 -4.837 5.917 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.350 -2.908 6.495 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.153 -4.941 4.408 1.00 0.00 C ATOM 0 H ILE A 751 -1.706 -3.435 8.421 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.508 -6.057 7.871 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.995 -4.840 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.900 -4.114 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.432 -5.799 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.231 -2.531 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.336 -2.634 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.416 -2.471 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.145 -5.239 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.422 -5.685 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.897 -3.974 3.975 1.00 0.00 H new ATOM 166 N GLN A 752 1.844 -5.578 8.694 1.00 0.00 N ATOM 167 CA GLN A 752 3.096 -5.396 9.419 1.00 0.00 C ATOM 168 C GLN A 752 4.146 -4.731 8.535 1.00 0.00 C ATOM 169 O GLN A 752 4.378 -5.155 7.404 1.00 0.00 O ATOM 170 CB GLN A 752 3.617 -6.743 9.924 1.00 0.00 C ATOM 171 CG GLN A 752 3.856 -7.757 8.817 1.00 0.00 C ATOM 172 CD GLN A 752 4.416 -9.067 9.335 1.00 0.00 C ATOM 173 OE1 GLN A 752 5.510 -9.482 8.952 1.00 0.00 O ATOM 174 NE2 GLN A 752 3.668 -9.725 10.213 1.00 0.00 N ATOM 0 H GLN A 752 1.780 -6.453 8.174 1.00 0.00 H new ATOM 0 HA GLN A 752 2.901 -4.746 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 752 4.549 -6.583 10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 752 2.902 -7.156 10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 752 2.918 -7.948 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 752 4.546 -7.335 8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 752 2.767 -9.344 10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 752 3.994 -10.611 10.598 1.00 0.00 H new ATOM 183 N ASN A 753 4.777 -3.685 9.059 1.00 0.00 N ATOM 184 CA ASN A 753 5.802 -2.960 8.317 1.00 0.00 C ATOM 185 C ASN A 753 5.219 -2.337 7.052 1.00 0.00 C ATOM 186 O ASN A 753 5.818 -2.409 5.979 1.00 0.00 O ATOM 187 CB ASN A 753 6.956 -3.897 7.952 1.00 0.00 C ATOM 188 CG ASN A 753 8.262 -3.153 7.749 1.00 0.00 C ATOM 189 OD1 ASN A 753 8.368 -2.287 6.880 1.00 0.00 O ATOM 190 ND2 ASN A 753 9.265 -3.488 8.552 1.00 0.00 N ATOM 0 H ASN A 753 4.596 -3.321 9.994 1.00 0.00 H new ATOM 0 HA ASN A 753 6.180 -2.160 8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 753 7.082 -4.638 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 753 6.705 -4.440 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 753 10.168 -3.022 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 753 9.133 -4.212 9.259 1.00 0.00 H new ATOM 197 N GLY A 754 4.046 -1.725 7.186 1.00 0.00 N ATOM 198 CA GLY A 754 3.402 -1.098 6.047 1.00 0.00 C ATOM 199 C GLY A 754 2.077 -0.458 6.411 1.00 0.00 C ATOM 200 O GLY A 754 1.706 -0.407 7.583 1.00 0.00 O ATOM 0 H GLY A 754 3.531 -1.652 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.066 -0.341 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.240 -1.844 5.269 1.00 0.00 H new ATOM 204 N TRP A 755 1.362 0.031 5.404 1.00 0.00 N ATOM 205 CA TRP A 755 0.071 0.672 5.623 1.00 0.00 C ATOM 206 C TRP A 755 -0.772 0.649 4.353 1.00 0.00 C ATOM 207 O TRP A 755 -0.282 0.304 3.277 1.00 0.00 O ATOM 208 CB TRP A 755 0.268 2.114 6.094 1.00 0.00 C ATOM 209 CG TRP A 755 1.009 2.965 5.107 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.464 3.778 4.154 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.429 3.085 4.976 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.461 4.396 3.438 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.675 3.988 3.923 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.517 2.519 5.646 1.00 0.00 C ATOM 215 CZ2 TRP A 755 3.964 4.335 3.527 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.796 2.864 5.251 1.00 0.00 C ATOM 217 CH2 TRP A 755 5.011 3.766 4.200 1.00 0.00 C ATOM 0 H TRP A 755 1.655 -0.004 4.428 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.457 0.114 6.396 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.707 2.561 6.289 1.00 0.00 H new ATOM 0 HB3 TRP A 755 0.811 2.109 7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.594 3.915 3.988 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.320 5.052 2.670 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.361 1.824 6.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 4.132 5.029 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.644 2.431 5.761 1.00 0.00 H new ATOM 0 HH2 TRP A 755 6.022 4.017 3.916 1.00 0.00 H new ATOM 228 N LYS A 756 -2.041 1.020 4.483 1.00 0.00 N ATOM 229 CA LYS A 756 -2.952 1.044 3.345 1.00 0.00 C ATOM 230 C LYS A 756 -3.479 2.454 3.099 1.00 0.00 C ATOM 231 O LYS A 756 -3.352 3.333 3.952 1.00 0.00 O ATOM 232 CB LYS A 756 -4.121 0.085 3.581 1.00 0.00 C ATOM 233 CG LYS A 756 -4.941 0.418 4.816 1.00 0.00 C ATOM 234 CD LYS A 756 -6.118 -0.530 4.976 1.00 0.00 C ATOM 235 CE LYS A 756 -6.752 -0.404 6.353 1.00 0.00 C ATOM 236 NZ LYS A 756 -7.450 0.900 6.525 1.00 0.00 N ATOM 0 H LYS A 756 -2.462 1.308 5.366 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.399 0.723 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.773 0.098 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.734 -0.930 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.306 0.364 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.305 1.443 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.864 -0.318 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.784 -1.556 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.461 -1.218 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -5.982 -0.508 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -7.869 0.947 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -6.768 1.677 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -8.201 0.988 5.811 1.00 0.00 H new ATOM 250 N THR A 757 -4.073 2.663 1.928 1.00 0.00 N ATOM 251 CA THR A 757 -4.619 3.966 1.571 1.00 0.00 C ATOM 252 C THR A 757 -5.992 3.828 0.922 1.00 0.00 C ATOM 253 O THR A 757 -6.136 3.187 -0.120 1.00 0.00 O ATOM 254 CB THR A 757 -3.684 4.723 0.609 1.00 0.00 C ATOM 255 OG1 THR A 757 -3.437 3.932 -0.558 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.364 5.058 1.289 1.00 0.00 C ATOM 0 H THR A 757 -4.188 1.947 1.211 1.00 0.00 H new ATOM 0 HA THR A 757 -4.713 4.533 2.497 1.00 0.00 H new ATOM 0 HB THR A 757 -4.173 5.653 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 757 -4.212 3.358 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.720 5.592 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 757 -2.553 5.685 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 757 -1.873 4.137 1.604 1.00 0.00 H new ATOM 335 N LEU A 763 -15.809 0.601 2.477 1.00 0.00 N ATOM 336 CA LEU A 763 -15.308 -0.208 1.371 1.00 0.00 C ATOM 337 C LEU A 763 -16.457 -0.874 0.621 1.00 0.00 C ATOM 338 O LEU A 763 -17.060 -1.830 1.110 1.00 0.00 O ATOM 339 CB LEU A 763 -14.338 -1.270 1.889 1.00 0.00 C ATOM 340 CG LEU A 763 -13.172 -0.759 2.737 1.00 0.00 C ATOM 341 CD1 LEU A 763 -12.465 -1.915 3.426 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.195 0.031 1.878 1.00 0.00 C ATOM 0 HA LEU A 763 -14.781 0.450 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -14.902 -1.991 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -13.930 -1.809 1.034 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.570 -0.095 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -11.639 -1.531 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -13.169 -2.439 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -12.080 -2.605 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.372 0.387 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -11.804 -0.610 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.709 0.883 1.432 1.00 0.00 H new ATOM 354 N VAL A 764 -16.753 -0.365 -0.571 1.00 0.00 N ATOM 355 CA VAL A 764 -17.827 -0.913 -1.391 1.00 0.00 C ATOM 356 C VAL A 764 -17.270 -1.673 -2.589 1.00 0.00 C ATOM 357 O VAL A 764 -16.058 -1.843 -2.721 1.00 0.00 O ATOM 358 CB VAL A 764 -18.771 0.195 -1.893 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.438 0.900 -0.722 1.00 0.00 C ATOM 360 CG2 VAL A 764 -18.012 1.187 -2.762 1.00 0.00 C ATOM 0 H VAL A 764 -16.264 0.426 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.390 -1.600 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.551 -0.264 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -20.101 1.680 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.016 0.179 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.675 1.348 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.694 1.963 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -17.210 1.642 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.587 0.668 -3.621 1.00 0.00 H new ATOM 370 N ARG A 765 -18.164 -2.128 -3.462 1.00 0.00 N ATOM 371 CA ARG A 765 -17.762 -2.871 -4.650 1.00 0.00 C ATOM 372 C ARG A 765 -17.035 -1.964 -5.638 1.00 0.00 C ATOM 373 O ARG A 765 -17.474 -0.847 -5.909 1.00 0.00 O ATOM 374 CB ARG A 765 -18.984 -3.501 -5.321 1.00 0.00 C ATOM 375 CG ARG A 765 -19.656 -4.573 -4.480 1.00 0.00 C ATOM 376 CD ARG A 765 -20.890 -5.132 -5.172 1.00 0.00 C ATOM 377 NE ARG A 765 -22.064 -4.289 -4.962 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.290 -4.629 -5.344 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.501 -5.789 -5.951 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.308 -3.809 -5.118 1.00 0.00 N ATOM 0 H ARG A 765 -19.171 -1.995 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.079 -3.662 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.709 -2.718 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -18.681 -3.935 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -18.950 -5.380 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -19.937 -4.155 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -20.696 -5.224 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.092 -6.135 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 765 -21.936 -3.390 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -22.721 -6.423 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.443 -6.048 -6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.150 -2.916 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -25.249 -4.071 -5.412 1.00 0.00 H new ATOM 394 N GLY A 766 -15.921 -2.453 -6.174 1.00 0.00 N ATOM 395 CA GLY A 766 -15.151 -1.674 -7.126 1.00 0.00 C ATOM 396 C GLY A 766 -14.005 -0.927 -6.472 1.00 0.00 C ATOM 397 O GLY A 766 -13.049 -0.535 -7.141 1.00 0.00 O ATOM 0 H GLY A 766 -15.538 -3.375 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.756 -2.336 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.808 -0.961 -7.624 1.00 0.00 H new ATOM 401 N ALA A 767 -14.102 -0.729 -5.162 1.00 0.00 N ATOM 402 CA ALA A 767 -13.065 -0.025 -4.417 1.00 0.00 C ATOM 403 C ALA A 767 -11.724 -0.742 -4.532 1.00 0.00 C ATOM 404 O ALA A 767 -11.673 -1.956 -4.733 1.00 0.00 O ATOM 405 CB ALA A 767 -13.467 0.115 -2.957 1.00 0.00 C ATOM 0 H ALA A 767 -14.888 -1.046 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 767 -12.954 0.970 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.684 0.642 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.398 0.677 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.608 -0.874 -2.522 1.00 0.00 H new ATOM 411 N ARG A 768 -10.640 0.017 -4.405 1.00 0.00 N ATOM 412 CA ARG A 768 -9.298 -0.547 -4.497 1.00 0.00 C ATOM 413 C ARG A 768 -8.407 -0.014 -3.379 1.00 0.00 C ATOM 414 O ARG A 768 -8.423 1.179 -3.074 1.00 0.00 O ATOM 415 CB ARG A 768 -8.677 -0.222 -5.857 1.00 0.00 C ATOM 416 CG ARG A 768 -7.168 -0.391 -5.893 1.00 0.00 C ATOM 417 CD ARG A 768 -6.453 0.895 -5.510 1.00 0.00 C ATOM 418 NE ARG A 768 -6.195 1.745 -6.670 1.00 0.00 N ATOM 419 CZ ARG A 768 -5.384 1.404 -7.665 1.00 0.00 C ATOM 420 NH1 ARG A 768 -4.755 0.237 -7.641 1.00 0.00 N ATOM 421 NH2 ARG A 768 -5.201 2.231 -8.686 1.00 0.00 N ATOM 0 H ARG A 768 -10.665 1.023 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.378 -1.629 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -9.124 -0.866 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -8.926 0.805 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -6.874 -1.189 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -6.859 -0.696 -6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -7.056 1.443 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -5.509 0.653 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 768 -6.663 2.650 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -4.894 -0.401 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -4.133 -0.023 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -5.683 3.130 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -4.578 1.968 -9.450 1.00 0.00 H new ATOM 435 N ILE A 769 -7.633 -0.906 -2.771 1.00 0.00 N ATOM 436 CA ILE A 769 -6.735 -0.525 -1.687 1.00 0.00 C ATOM 437 C ILE A 769 -5.276 -0.711 -2.091 1.00 0.00 C ATOM 438 O ILE A 769 -4.908 -1.725 -2.685 1.00 0.00 O ATOM 439 CB ILE A 769 -7.012 -1.345 -0.413 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.429 -1.075 0.096 1.00 0.00 C ATOM 441 CG2 ILE A 769 -5.985 -1.017 0.661 1.00 0.00 C ATOM 442 CD1 ILE A 769 -8.967 -2.167 0.994 1.00 0.00 C ATOM 0 H ILE A 769 -7.609 -1.897 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 769 -6.920 0.529 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.930 -2.405 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.437 -0.131 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.096 -0.956 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.194 -1.604 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -4.987 -1.256 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.038 0.044 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -9.975 -1.908 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.992 -3.109 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.322 -2.271 1.866 1.00 0.00 H new ATOM 454 N THR A 770 -4.447 0.276 -1.763 1.00 0.00 N ATOM 455 CA THR A 770 -3.028 0.222 -2.090 1.00 0.00 C ATOM 456 C THR A 770 -2.185 -0.017 -0.843 1.00 0.00 C ATOM 457 O THR A 770 -2.243 0.754 0.115 1.00 0.00 O ATOM 458 CB THR A 770 -2.559 1.522 -2.771 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.366 1.789 -3.924 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.098 1.420 -3.182 1.00 0.00 C ATOM 0 H THR A 770 -4.735 1.122 -1.271 1.00 0.00 H new ATOM 0 HA THR A 770 -2.894 -0.611 -2.781 1.00 0.00 H new ATOM 0 HB THR A 770 -2.664 2.339 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.063 2.618 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 770 -0.789 2.349 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.483 1.245 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 770 -0.974 0.593 -3.881 1.00 0.00 H new ATOM 468 N TYR A 771 -1.402 -1.090 -0.861 1.00 0.00 N ATOM 469 CA TYR A 771 -0.548 -1.432 0.270 1.00 0.00 C ATOM 470 C TYR A 771 0.876 -0.929 0.049 1.00 0.00 C ATOM 471 O TYR A 771 1.499 -1.227 -0.970 1.00 0.00 O ATOM 472 CB TYR A 771 -0.537 -2.946 0.489 1.00 0.00 C ATOM 473 CG TYR A 771 -1.696 -3.445 1.321 1.00 0.00 C ATOM 474 CD1 TYR A 771 -1.663 -3.373 2.708 1.00 0.00 C ATOM 475 CD2 TYR A 771 -2.824 -3.990 0.721 1.00 0.00 C ATOM 476 CE1 TYR A 771 -2.719 -3.828 3.473 1.00 0.00 C ATOM 477 CE2 TYR A 771 -3.886 -4.447 1.477 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.829 -4.364 2.853 1.00 0.00 C ATOM 479 OH TYR A 771 -4.884 -4.819 3.610 1.00 0.00 O ATOM 0 H TYR A 771 -1.341 -1.738 -1.646 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.953 -0.946 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.555 -3.445 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.397 -3.228 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -0.796 -2.954 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -2.872 -4.058 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -2.676 -3.765 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -4.756 -4.867 0.994 1.00 0.00 H new ATOM 0 HH TYR A 771 -5.651 -4.220 3.495 1.00 0.00 H new ATOM 489 N GLN A 772 1.382 -0.165 1.012 1.00 0.00 N ATOM 490 CA GLN A 772 2.732 0.380 0.923 1.00 0.00 C ATOM 491 C GLN A 772 3.566 -0.033 2.131 1.00 0.00 C ATOM 492 O GLN A 772 3.102 0.031 3.270 1.00 0.00 O ATOM 493 CB GLN A 772 2.683 1.905 0.819 1.00 0.00 C ATOM 494 CG GLN A 772 3.857 2.501 0.059 1.00 0.00 C ATOM 495 CD GLN A 772 3.771 2.254 -1.434 1.00 0.00 C ATOM 496 OE1 GLN A 772 3.265 3.088 -2.185 1.00 0.00 O ATOM 497 NE2 GLN A 772 4.267 1.103 -1.874 1.00 0.00 N ATOM 0 H GLN A 772 0.879 0.090 1.862 1.00 0.00 H new ATOM 0 HA GLN A 772 3.201 -0.023 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.756 2.198 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.658 2.329 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.898 3.574 0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.785 2.076 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 772 4.678 0.440 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 772 4.237 0.882 -2.869 1.00 0.00 H new ATOM 506 N CYS A 773 4.799 -0.457 1.876 1.00 0.00 N ATOM 507 CA CYS A 773 5.699 -0.881 2.942 1.00 0.00 C ATOM 508 C CYS A 773 6.934 0.013 2.999 1.00 0.00 C ATOM 509 O CYS A 773 7.136 0.867 2.136 1.00 0.00 O ATOM 510 CB CYS A 773 6.119 -2.337 2.733 1.00 0.00 C ATOM 511 SG CYS A 773 4.735 -3.467 2.379 1.00 0.00 S ATOM 0 H CYS A 773 5.198 -0.516 0.939 1.00 0.00 H new ATOM 0 HA CYS A 773 5.166 -0.795 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.832 -2.384 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.639 -2.685 3.625 1.00 0.00 H new ATOM 516 N ASP A 774 7.757 -0.189 4.022 1.00 0.00 N ATOM 517 CA ASP A 774 8.973 0.597 4.193 1.00 0.00 C ATOM 518 C ASP A 774 9.915 0.405 3.008 1.00 0.00 C ATOM 519 O ASP A 774 9.824 -0.572 2.263 1.00 0.00 O ATOM 520 CB ASP A 774 9.681 0.207 5.491 1.00 0.00 C ATOM 521 CG ASP A 774 9.141 0.958 6.693 1.00 0.00 C ATOM 522 OD1 ASP A 774 8.563 2.048 6.500 1.00 0.00 O ATOM 523 OD2 ASP A 774 9.298 0.457 7.826 1.00 0.00 O ATOM 0 H ASP A 774 7.604 -0.891 4.746 1.00 0.00 H new ATOM 0 HA ASP A 774 8.691 1.649 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.568 -0.865 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.749 0.404 5.393 1.00 0.00 H new ATOM 528 N PRO A 775 10.841 1.358 2.827 1.00 0.00 N ATOM 529 CA PRO A 775 11.817 1.316 1.734 1.00 0.00 C ATOM 530 C PRO A 775 12.850 0.210 1.922 1.00 0.00 C ATOM 531 O PRO A 775 13.645 0.242 2.861 1.00 0.00 O ATOM 532 CB PRO A 775 12.487 2.691 1.804 1.00 0.00 C ATOM 533 CG PRO A 775 12.321 3.121 3.221 1.00 0.00 C ATOM 534 CD PRO A 775 11.008 2.549 3.676 1.00 0.00 C ATOM 0 HA PRO A 775 11.346 1.105 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.540 2.633 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 775 12.017 3.396 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 775 13.141 2.755 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 775 12.322 4.208 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 775 11.029 2.288 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 775 10.192 3.258 3.538 1.00 0.00 H new ATOM 542 N GLY A 776 12.834 -0.768 1.021 1.00 0.00 N ATOM 543 CA GLY A 776 13.775 -1.870 1.106 1.00 0.00 C ATOM 544 C GLY A 776 13.086 -3.220 1.124 1.00 0.00 C ATOM 545 O GLY A 776 13.675 -4.230 0.738 1.00 0.00 O ATOM 0 H GLY A 776 12.187 -0.817 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.459 -1.826 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.377 -1.761 2.008 1.00 0.00 H new ATOM 549 N TYR A 777 11.836 -3.239 1.574 1.00 0.00 N ATOM 550 CA TYR A 777 11.068 -4.476 1.645 1.00 0.00 C ATOM 551 C TYR A 777 10.285 -4.706 0.356 1.00 0.00 C ATOM 552 O TYR A 777 10.206 -3.825 -0.501 1.00 0.00 O ATOM 553 CB TYR A 777 10.110 -4.438 2.837 1.00 0.00 C ATOM 554 CG TYR A 777 10.791 -4.662 4.168 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.732 -3.761 4.650 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.491 -5.775 4.945 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.357 -3.962 5.865 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.110 -5.983 6.162 1.00 0.00 C ATOM 559 CZ TYR A 777 12.043 -5.074 6.618 1.00 0.00 C ATOM 560 OH TYR A 777 12.662 -5.278 7.830 1.00 0.00 O ATOM 0 H TYR A 777 11.333 -2.412 1.895 1.00 0.00 H new ATOM 0 HA TYR A 777 11.768 -5.301 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.604 -3.473 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.341 -5.198 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.979 -2.888 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 777 9.762 -6.489 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.088 -3.252 6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 777 10.865 -6.853 6.754 1.00 0.00 H new ATOM 0 HH TYR A 777 12.327 -6.106 8.233 1.00 0.00 H new ATOM 570 N ASP A 778 9.707 -5.895 0.226 1.00 0.00 N ATOM 571 CA ASP A 778 8.928 -6.242 -0.957 1.00 0.00 C ATOM 572 C ASP A 778 7.562 -6.795 -0.565 1.00 0.00 C ATOM 573 O ASP A 778 7.390 -7.331 0.531 1.00 0.00 O ATOM 574 CB ASP A 778 9.682 -7.265 -1.808 1.00 0.00 C ATOM 575 CG ASP A 778 9.899 -8.576 -1.079 1.00 0.00 C ATOM 576 OD1 ASP A 778 8.900 -9.270 -0.795 1.00 0.00 O ATOM 577 OD2 ASP A 778 11.068 -8.910 -0.794 1.00 0.00 O ATOM 0 H ASP A 778 9.763 -6.635 0.926 1.00 0.00 H new ATOM 0 HA ASP A 778 8.778 -5.335 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 778 9.125 -7.451 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 778 10.647 -6.850 -2.099 1.00 0.00 H new ATOM 582 N ILE A 779 6.594 -6.661 -1.465 1.00 0.00 N ATOM 583 CA ILE A 779 5.244 -7.148 -1.213 1.00 0.00 C ATOM 584 C ILE A 779 5.042 -8.540 -1.803 1.00 0.00 C ATOM 585 O ILE A 779 5.476 -8.822 -2.920 1.00 0.00 O ATOM 586 CB ILE A 779 4.184 -6.196 -1.798 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.221 -4.849 -1.073 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.799 -6.820 -1.698 1.00 0.00 C ATOM 589 CD1 ILE A 779 3.029 -3.968 -1.375 1.00 0.00 C ATOM 0 H ILE A 779 6.720 -6.219 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 779 5.122 -7.194 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 779 4.410 -6.027 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 779 4.270 -5.025 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 779 5.133 -4.321 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 779 2.061 -6.135 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.781 -7.757 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.562 -7.015 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 779 3.122 -3.030 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.991 -3.761 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 779 2.114 -4.477 -1.071 1.00 0.00 H new ATOM 601 N VAL A 780 4.378 -9.407 -1.045 1.00 0.00 N ATOM 602 CA VAL A 780 4.115 -10.770 -1.493 1.00 0.00 C ATOM 603 C VAL A 780 2.622 -11.006 -1.687 1.00 0.00 C ATOM 604 O VAL A 780 1.860 -11.053 -0.722 1.00 0.00 O ATOM 605 CB VAL A 780 4.663 -11.805 -0.493 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.394 -13.218 -0.987 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.150 -11.586 -0.260 1.00 0.00 C ATOM 0 H VAL A 780 4.012 -9.190 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 780 4.626 -10.894 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 780 4.147 -11.674 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 780 4.788 -13.936 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.320 -13.367 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 780 4.881 -13.365 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.520 -12.326 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.685 -11.689 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.312 -10.586 0.142 1.00 0.00 H new ATOM 617 N GLY A 781 2.209 -11.155 -2.942 1.00 0.00 N ATOM 618 CA GLY A 781 0.808 -11.385 -3.240 1.00 0.00 C ATOM 619 C GLY A 781 0.271 -10.424 -4.283 1.00 0.00 C ATOM 620 O GLY A 781 0.895 -10.215 -5.323 1.00 0.00 O ATOM 0 H GLY A 781 2.820 -11.120 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.678 -12.408 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.224 -11.286 -2.325 1.00 0.00 H new ATOM 624 N SER A 782 -0.890 -9.840 -4.005 1.00 0.00 N ATOM 625 CA SER A 782 -1.513 -8.900 -4.929 1.00 0.00 C ATOM 626 C SER A 782 -1.444 -7.476 -4.386 1.00 0.00 C ATOM 627 O SER A 782 -2.149 -7.127 -3.439 1.00 0.00 O ATOM 628 CB SER A 782 -2.970 -9.291 -5.182 1.00 0.00 C ATOM 629 OG SER A 782 -3.385 -8.903 -6.480 1.00 0.00 O ATOM 0 H SER A 782 -1.418 -10.001 -3.147 1.00 0.00 H new ATOM 0 HA SER A 782 -0.965 -8.938 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.086 -10.369 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.611 -8.820 -4.436 1.00 0.00 H new ATOM 0 HG SER A 782 -3.940 -8.097 -6.419 1.00 0.00 H new ATOM 635 N ASP A 783 -0.589 -6.660 -4.992 1.00 0.00 N ATOM 636 CA ASP A 783 -0.427 -5.273 -4.571 1.00 0.00 C ATOM 637 C ASP A 783 -1.767 -4.543 -4.577 1.00 0.00 C ATOM 638 O ASP A 783 -2.020 -3.680 -3.736 1.00 0.00 O ATOM 639 CB ASP A 783 0.565 -4.552 -5.486 1.00 0.00 C ATOM 640 CG ASP A 783 0.393 -4.936 -6.942 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.546 -4.421 -7.585 1.00 0.00 O ATOM 642 OD2 ASP A 783 1.197 -5.751 -7.440 1.00 0.00 O ATOM 0 H ASP A 783 0.003 -6.935 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.037 -5.271 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.436 -3.475 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.582 -4.784 -5.170 1.00 0.00 H new ATOM 647 N THR A 784 -2.622 -4.894 -5.532 1.00 0.00 N ATOM 648 CA THR A 784 -3.934 -4.272 -5.650 1.00 0.00 C ATOM 649 C THR A 784 -5.041 -5.245 -5.262 1.00 0.00 C ATOM 650 O THR A 784 -5.023 -6.412 -5.658 1.00 0.00 O ATOM 651 CB THR A 784 -4.190 -3.765 -7.082 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.087 -2.964 -7.522 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.473 -2.951 -7.147 1.00 0.00 C ATOM 0 H THR A 784 -2.429 -5.607 -6.236 1.00 0.00 H new ATOM 0 HA THR A 784 -3.943 -3.424 -4.966 1.00 0.00 H new ATOM 0 HB THR A 784 -4.295 -4.630 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.290 -3.526 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.632 -2.604 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.314 -3.572 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.393 -2.092 -6.480 1.00 0.00 H new ATOM 661 N LEU A 785 -6.005 -4.760 -4.488 1.00 0.00 N ATOM 662 CA LEU A 785 -7.123 -5.588 -4.047 1.00 0.00 C ATOM 663 C LEU A 785 -8.456 -4.929 -4.386 1.00 0.00 C ATOM 664 O LEU A 785 -8.759 -3.834 -3.911 1.00 0.00 O ATOM 665 CB LEU A 785 -7.033 -5.839 -2.541 1.00 0.00 C ATOM 666 CG LEU A 785 -6.049 -6.922 -2.098 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.636 -6.572 -2.540 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.107 -7.111 -0.589 1.00 0.00 C ATOM 0 H LEU A 785 -6.036 -3.797 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.067 -6.541 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.757 -4.904 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.025 -6.107 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.334 -7.861 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -3.949 -7.354 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.605 -6.489 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.340 -5.622 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.400 -7.886 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -5.848 -6.175 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.114 -7.408 -0.298 1.00 0.00 H new ATOM 680 N THR A 786 -9.251 -5.604 -5.210 1.00 0.00 N ATOM 681 CA THR A 786 -10.552 -5.085 -5.612 1.00 0.00 C ATOM 682 C THR A 786 -11.682 -5.829 -4.910 1.00 0.00 C ATOM 683 O THR A 786 -11.540 -6.998 -4.550 1.00 0.00 O ATOM 684 CB THR A 786 -10.753 -5.190 -7.136 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.501 -5.012 -7.808 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.749 -4.149 -7.624 1.00 0.00 C ATOM 0 H THR A 786 -9.016 -6.512 -5.612 1.00 0.00 H new ATOM 0 HA THR A 786 -10.576 -4.035 -5.321 1.00 0.00 H new ATOM 0 HB THR A 786 -11.148 -6.181 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.637 -5.082 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 786 -11.874 -4.243 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.709 -4.305 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.378 -3.152 -7.387 1.00 0.00 H new ATOM 694 N CYS A 787 -12.805 -5.146 -4.718 1.00 0.00 N ATOM 695 CA CYS A 787 -13.961 -5.742 -4.058 1.00 0.00 C ATOM 696 C CYS A 787 -14.946 -6.296 -5.083 1.00 0.00 C ATOM 697 O CYS A 787 -15.618 -5.539 -5.784 1.00 0.00 O ATOM 698 CB CYS A 787 -14.657 -4.708 -3.171 1.00 0.00 C ATOM 699 SG CYS A 787 -16.021 -5.385 -2.171 1.00 0.00 S ATOM 0 H CYS A 787 -12.940 -4.178 -5.010 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.609 -6.566 -3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -13.919 -4.261 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.045 -3.907 -3.800 1.00 0.00 H new ATOM 704 N GLN A 788 -15.026 -7.620 -5.163 1.00 0.00 N ATOM 705 CA GLN A 788 -15.929 -8.275 -6.103 1.00 0.00 C ATOM 706 C GLN A 788 -17.381 -7.919 -5.800 1.00 0.00 C ATOM 707 O GLN A 788 -17.671 -7.235 -4.819 1.00 0.00 O ATOM 708 CB GLN A 788 -15.741 -9.792 -6.050 1.00 0.00 C ATOM 709 CG GLN A 788 -14.427 -10.263 -6.652 1.00 0.00 C ATOM 710 CD GLN A 788 -14.277 -11.772 -6.617 1.00 0.00 C ATOM 711 OE1 GLN A 788 -14.792 -12.479 -7.484 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.569 -12.273 -5.612 1.00 0.00 N ATOM 0 H GLN A 788 -14.477 -8.260 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.689 -7.921 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.794 -10.120 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.566 -10.271 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.360 -9.919 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.599 -9.807 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -13.160 -11.650 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.434 -13.281 -5.536 1.00 0.00 H new ATOM 721 N TRP A 789 -18.288 -8.388 -6.648 1.00 0.00 N ATOM 722 CA TRP A 789 -19.711 -8.119 -6.471 1.00 0.00 C ATOM 723 C TRP A 789 -20.279 -8.933 -5.314 1.00 0.00 C ATOM 724 O TRP A 789 -21.425 -8.737 -4.909 1.00 0.00 O ATOM 725 CB TRP A 789 -20.475 -8.436 -7.758 1.00 0.00 C ATOM 726 CG TRP A 789 -20.767 -9.896 -7.931 1.00 0.00 C ATOM 727 CD1 TRP A 789 -20.001 -10.812 -8.594 1.00 0.00 C ATOM 728 CD2 TRP A 789 -21.906 -10.607 -7.435 1.00 0.00 C ATOM 729 NE1 TRP A 789 -20.596 -12.050 -8.540 1.00 0.00 N ATOM 730 CE2 TRP A 789 -21.765 -11.950 -7.834 1.00 0.00 C ATOM 731 CE3 TRP A 789 -23.031 -10.240 -6.691 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -22.708 -12.924 -7.514 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -23.965 -11.207 -6.375 1.00 0.00 C ATOM 734 CH2 TRP A 789 -23.799 -12.537 -6.785 1.00 0.00 C ATOM 0 H TRP A 789 -18.064 -8.956 -7.465 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.829 -7.061 -6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -21.414 -7.882 -7.761 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -19.896 -8.085 -8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -19.065 -10.595 -9.088 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -20.227 -12.904 -8.958 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -23.167 -9.218 -6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -22.582 -13.949 -7.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -24.839 -10.934 -5.802 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -24.547 -13.270 -6.520 1.00 0.00 H new ATOM 745 N ASP A 790 -19.471 -9.847 -4.787 1.00 0.00 N ATOM 746 CA ASP A 790 -19.894 -10.690 -3.675 1.00 0.00 C ATOM 747 C ASP A 790 -19.366 -10.148 -2.350 1.00 0.00 C ATOM 748 O ASP A 790 -19.281 -10.875 -1.359 1.00 0.00 O ATOM 749 CB ASP A 790 -19.409 -12.126 -3.882 1.00 0.00 C ATOM 750 CG ASP A 790 -20.391 -12.960 -4.681 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.610 -12.828 -4.444 1.00 0.00 O ATOM 752 OD2 ASP A 790 -19.941 -13.745 -5.541 1.00 0.00 O ATOM 0 H ASP A 790 -18.520 -10.023 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 790 -20.983 -10.684 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.448 -12.111 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -19.245 -12.594 -2.912 1.00 0.00 H new ATOM 757 N LEU A 791 -19.012 -8.868 -2.340 1.00 0.00 N ATOM 758 CA LEU A 791 -18.491 -8.227 -1.137 1.00 0.00 C ATOM 759 C LEU A 791 -17.299 -9.000 -0.582 1.00 0.00 C ATOM 760 O LEU A 791 -17.086 -9.046 0.630 1.00 0.00 O ATOM 761 CB LEU A 791 -19.587 -8.125 -0.075 1.00 0.00 C ATOM 762 CG LEU A 791 -20.863 -7.395 -0.496 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.883 -7.411 0.632 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.548 -5.966 -0.912 1.00 0.00 C ATOM 0 H LEU A 791 -19.076 -8.253 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 791 -18.158 -7.224 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.856 -9.134 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -19.174 -7.619 0.798 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.290 -7.915 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.785 -6.887 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.132 -8.442 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.465 -6.915 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.468 -5.462 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -20.097 -5.434 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.853 -5.976 -1.752 1.00 0.00 H new ATOM 776 N SER A 792 -16.524 -9.605 -1.476 1.00 0.00 N ATOM 777 CA SER A 792 -15.353 -10.377 -1.075 1.00 0.00 C ATOM 778 C SER A 792 -14.133 -9.981 -1.900 1.00 0.00 C ATOM 779 O SER A 792 -14.216 -9.831 -3.119 1.00 0.00 O ATOM 780 CB SER A 792 -15.626 -11.874 -1.234 1.00 0.00 C ATOM 781 OG SER A 792 -16.628 -12.308 -0.331 1.00 0.00 O ATOM 0 H SER A 792 -16.685 -9.576 -2.483 1.00 0.00 H new ATOM 0 HA SER A 792 -15.146 -10.161 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.939 -12.083 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 792 -14.708 -12.435 -1.060 1.00 0.00 H new ATOM 0 HG SER A 792 -17.487 -11.907 -0.578 1.00 0.00 H new ATOM 787 N TRP A 793 -13.001 -9.813 -1.226 1.00 0.00 N ATOM 788 CA TRP A 793 -11.762 -9.434 -1.896 1.00 0.00 C ATOM 789 C TRP A 793 -11.184 -10.609 -2.677 1.00 0.00 C ATOM 790 O TRP A 793 -11.155 -11.738 -2.188 1.00 0.00 O ATOM 791 CB TRP A 793 -10.739 -8.933 -0.874 1.00 0.00 C ATOM 792 CG TRP A 793 -11.198 -7.723 -0.120 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.696 -7.689 1.152 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.201 -6.370 -0.590 1.00 0.00 C ATOM 795 NE1 TRP A 793 -12.010 -6.398 1.500 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.715 -5.569 0.450 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.819 -5.757 -1.786 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.856 -4.190 0.325 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.960 -4.388 -1.907 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.474 -3.616 -0.857 1.00 0.00 C ATOM 0 H TRP A 793 -12.915 -9.933 -0.217 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.988 -8.631 -2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.522 -9.733 -0.166 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.806 -8.700 -1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.824 -8.551 1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.400 -6.104 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.421 -6.343 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.253 -3.594 1.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.669 -3.904 -2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.571 -2.548 -0.983 1.00 0.00 H new ATOM 811 N SER A 794 -10.725 -10.336 -3.895 1.00 0.00 N ATOM 812 CA SER A 794 -10.152 -11.372 -4.746 1.00 0.00 C ATOM 813 C SER A 794 -9.370 -12.386 -3.915 1.00 0.00 C ATOM 814 O SER A 794 -9.526 -13.595 -4.085 1.00 0.00 O ATOM 815 CB SER A 794 -9.237 -10.746 -5.800 1.00 0.00 C ATOM 816 OG SER A 794 -8.875 -11.695 -6.789 1.00 0.00 O ATOM 0 H SER A 794 -10.739 -9.406 -4.314 1.00 0.00 H new ATOM 0 HA SER A 794 -10.970 -11.891 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.742 -9.902 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.339 -10.355 -5.321 1.00 0.00 H new ATOM 0 HG SER A 794 -8.291 -11.270 -7.452 1.00 0.00 H new ATOM 822 N SER A 795 -8.530 -11.883 -3.017 1.00 0.00 N ATOM 823 CA SER A 795 -7.720 -12.744 -2.162 1.00 0.00 C ATOM 824 C SER A 795 -7.255 -11.992 -0.919 1.00 0.00 C ATOM 825 O SER A 795 -7.333 -10.765 -0.857 1.00 0.00 O ATOM 826 CB SER A 795 -6.510 -13.273 -2.934 1.00 0.00 C ATOM 827 OG SER A 795 -5.745 -12.209 -3.475 1.00 0.00 O ATOM 0 H SER A 795 -8.392 -10.884 -2.862 1.00 0.00 H new ATOM 0 HA SER A 795 -8.337 -13.586 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 795 -5.886 -13.873 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 795 -6.846 -13.929 -3.737 1.00 0.00 H new ATOM 0 HG SER A 795 -4.977 -12.573 -3.962 1.00 0.00 H new ATOM 833 N ASP A 796 -6.772 -12.737 0.069 1.00 0.00 N ATOM 834 CA ASP A 796 -6.293 -12.142 1.311 1.00 0.00 C ATOM 835 C ASP A 796 -5.249 -11.066 1.031 1.00 0.00 C ATOM 836 O ASP A 796 -4.610 -11.045 -0.021 1.00 0.00 O ATOM 837 CB ASP A 796 -5.701 -13.219 2.222 1.00 0.00 C ATOM 838 CG ASP A 796 -6.745 -13.857 3.119 1.00 0.00 C ATOM 839 OD1 ASP A 796 -7.567 -13.113 3.693 1.00 0.00 O ATOM 840 OD2 ASP A 796 -6.738 -15.099 3.247 1.00 0.00 O ATOM 0 H ASP A 796 -6.702 -13.754 0.034 1.00 0.00 H new ATOM 0 HA ASP A 796 -7.142 -11.678 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -5.231 -13.990 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -4.917 -12.779 2.838 1.00 0.00 H new ATOM 845 N PRO A 797 -5.071 -10.149 1.994 1.00 0.00 N ATOM 846 CA PRO A 797 -4.106 -9.052 1.874 1.00 0.00 C ATOM 847 C PRO A 797 -2.663 -9.540 1.937 1.00 0.00 C ATOM 848 O PRO A 797 -2.320 -10.443 2.700 1.00 0.00 O ATOM 849 CB PRO A 797 -4.424 -8.166 3.081 1.00 0.00 C ATOM 850 CG PRO A 797 -5.044 -9.087 4.074 1.00 0.00 C ATOM 851 CD PRO A 797 -5.798 -10.112 3.274 1.00 0.00 C ATOM 0 HA PRO A 797 -4.190 -8.538 0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.522 -7.702 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.105 -7.359 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.284 -9.560 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.712 -8.546 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.797 -11.085 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.841 -9.826 3.136 1.00 0.00 H new ATOM 859 N PRO A 798 -1.795 -8.930 1.116 1.00 0.00 N ATOM 860 CA PRO A 798 -0.374 -9.285 1.061 1.00 0.00 C ATOM 861 C PRO A 798 0.377 -8.872 2.322 1.00 0.00 C ATOM 862 O PRO A 798 -0.233 -8.525 3.334 1.00 0.00 O ATOM 863 CB PRO A 798 0.141 -8.502 -0.149 1.00 0.00 C ATOM 864 CG PRO A 798 -0.790 -7.346 -0.276 1.00 0.00 C ATOM 865 CD PRO A 798 -2.133 -7.845 0.180 1.00 0.00 C ATOM 0 HA PRO A 798 -0.226 -10.362 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.168 -8.169 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 798 0.135 -9.116 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.457 -6.507 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -0.834 -6.992 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.709 -7.059 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.732 -8.207 -0.656 1.00 0.00 H new ATOM 873 N PHE A 799 1.703 -8.911 2.255 1.00 0.00 N ATOM 874 CA PHE A 799 2.537 -8.540 3.393 1.00 0.00 C ATOM 875 C PHE A 799 3.901 -8.038 2.927 1.00 0.00 C ATOM 876 O PHE A 799 4.255 -8.165 1.755 1.00 0.00 O ATOM 877 CB PHE A 799 2.716 -9.735 4.332 1.00 0.00 C ATOM 878 CG PHE A 799 2.934 -11.036 3.613 1.00 0.00 C ATOM 879 CD1 PHE A 799 4.209 -11.432 3.242 1.00 0.00 C ATOM 880 CD2 PHE A 799 1.864 -11.862 3.308 1.00 0.00 C ATOM 881 CE1 PHE A 799 4.412 -12.628 2.579 1.00 0.00 C ATOM 882 CE2 PHE A 799 2.061 -13.059 2.646 1.00 0.00 C ATOM 883 CZ PHE A 799 3.337 -13.443 2.282 1.00 0.00 C ATOM 0 H PHE A 799 2.224 -9.196 1.425 1.00 0.00 H new ATOM 0 HA PHE A 799 2.037 -7.735 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.564 -9.546 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.834 -9.823 4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 799 5.053 -10.799 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 799 0.864 -11.567 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 799 5.410 -12.925 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 799 1.218 -13.693 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.494 -14.379 1.766 1.00 0.00 H new ATOM 893 N CYS A 800 4.661 -7.465 3.854 1.00 0.00 N ATOM 894 CA CYS A 800 5.985 -6.941 3.540 1.00 0.00 C ATOM 895 C CYS A 800 7.076 -7.885 4.039 1.00 0.00 C ATOM 896 O CYS A 800 7.146 -8.195 5.227 1.00 0.00 O ATOM 897 CB CYS A 800 6.170 -5.556 4.164 1.00 0.00 C ATOM 898 SG CYS A 800 4.658 -4.540 4.180 1.00 0.00 S ATOM 0 H CYS A 800 4.383 -7.352 4.829 1.00 0.00 H new ATOM 0 HA CYS A 800 6.068 -6.858 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.526 -5.675 5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 800 6.947 -5.023 3.616 1.00 0.00 H new ATOM 903 N GLU A 801 7.924 -8.338 3.120 1.00 0.00 N ATOM 904 CA GLU A 801 9.010 -9.247 3.467 1.00 0.00 C ATOM 905 C GLU A 801 10.360 -8.659 3.066 1.00 0.00 C ATOM 906 O GLU A 801 10.465 -7.929 2.080 1.00 0.00 O ATOM 907 CB GLU A 801 8.809 -10.601 2.785 1.00 0.00 C ATOM 908 CG GLU A 801 9.773 -11.673 3.264 1.00 0.00 C ATOM 909 CD GLU A 801 9.492 -12.117 4.686 1.00 0.00 C ATOM 910 OE1 GLU A 801 8.472 -12.804 4.904 1.00 0.00 O ATOM 911 OE2 GLU A 801 10.293 -11.777 5.583 1.00 0.00 O ATOM 0 H GLU A 801 7.880 -8.091 2.131 1.00 0.00 H new ATOM 0 HA GLU A 801 9.000 -9.388 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.787 -10.938 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.923 -10.476 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.712 -12.535 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 801 10.793 -11.294 3.201 1.00 0.00 H new ATOM 918 N LYS A 802 11.392 -8.981 3.839 1.00 0.00 N ATOM 919 CA LYS A 802 12.736 -8.486 3.567 1.00 0.00 C ATOM 920 C LYS A 802 13.405 -9.306 2.468 1.00 0.00 C ATOM 921 O LYS A 802 13.454 -10.535 2.538 1.00 0.00 O ATOM 922 CB LYS A 802 13.586 -8.530 4.839 1.00 0.00 C ATOM 923 CG LYS A 802 14.941 -7.860 4.690 1.00 0.00 C ATOM 924 CD LYS A 802 15.592 -7.613 6.040 1.00 0.00 C ATOM 925 CE LYS A 802 16.602 -6.477 5.971 1.00 0.00 C ATOM 926 NZ LYS A 802 15.952 -5.147 6.132 1.00 0.00 N ATOM 0 H LYS A 802 11.323 -9.583 4.659 1.00 0.00 H new ATOM 0 HA LYS A 802 12.654 -7.453 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.039 -8.047 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.735 -9.570 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.592 -8.486 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.824 -6.913 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 802 14.825 -7.375 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 802 16.088 -8.523 6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.353 -6.611 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 802 17.124 -6.513 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 16.673 -4.399 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 15.253 -5.008 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 15.475 -5.103 7.055 1.00 0.00 H new