USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 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= -0.796 K(o=-0.8,f=-1.9!) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 756 LYS NZ :NH3+ 171:sc= 0.222 (180deg=0.196) USER MOD Single : A 757 THR OG1 : rot 47:sc= -0.724 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 180:sc= -0.808 USER MOD Single : A 772 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.12) USER MOD Single : A 777 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot 180:sc= 0 USER MOD Single : A 784 THR OG1 : rot 180:sc= 0 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 792 SER OG : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 802 LYS NZ :NH3+ -145:sc= -0.218 (180deg=-1.65!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -21.104 -3.700 1.200 1.00 0.00 N ATOM 60 CA GLY A 744 -19.734 -3.524 0.753 1.00 0.00 C ATOM 61 C GLY A 744 -18.774 -4.474 1.439 1.00 0.00 C ATOM 62 O GLY A 744 -19.078 -5.017 2.502 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.684 -3.678 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -19.422 -2.497 0.943 1.00 0.00 H new ATOM 66 N CYS A 745 -17.610 -4.678 0.831 1.00 0.00 N ATOM 67 CA CYS A 745 -16.602 -5.572 1.388 1.00 0.00 C ATOM 68 C CYS A 745 -16.429 -5.331 2.885 1.00 0.00 C ATOM 69 O CYS A 745 -16.856 -4.304 3.412 1.00 0.00 O ATOM 70 CB CYS A 745 -15.264 -5.376 0.670 1.00 0.00 C ATOM 71 SG CYS A 745 -15.110 -6.312 -0.885 1.00 0.00 S ATOM 0 H CYS A 745 -17.342 -4.236 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.940 -6.598 1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -15.130 -4.315 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.457 -5.671 1.341 1.00 0.00 H new ATOM 76 N SER A 746 -15.799 -6.285 3.563 1.00 0.00 N ATOM 77 CA SER A 746 -15.572 -6.179 4.999 1.00 0.00 C ATOM 78 C SER A 746 -14.223 -5.529 5.290 1.00 0.00 C ATOM 79 O SER A 746 -13.359 -5.450 4.416 1.00 0.00 O ATOM 80 CB SER A 746 -15.637 -7.561 5.651 1.00 0.00 C ATOM 81 OG SER A 746 -14.519 -8.351 5.283 1.00 0.00 O ATOM 0 H SER A 746 -15.437 -7.140 3.141 1.00 0.00 H new ATOM 0 HA SER A 746 -16.356 -5.550 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 746 -15.670 -7.454 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 746 -16.556 -8.065 5.353 1.00 0.00 H new ATOM 0 HG SER A 746 -14.583 -9.229 5.714 1.00 0.00 H new ATOM 87 N ASP A 747 -14.049 -5.066 6.523 1.00 0.00 N ATOM 88 CA ASP A 747 -12.805 -4.425 6.930 1.00 0.00 C ATOM 89 C ASP A 747 -11.630 -5.390 6.807 1.00 0.00 C ATOM 90 O ASP A 747 -11.812 -6.608 6.791 1.00 0.00 O ATOM 91 CB ASP A 747 -12.915 -3.917 8.369 1.00 0.00 C ATOM 92 CG ASP A 747 -13.588 -4.919 9.286 1.00 0.00 C ATOM 93 OD1 ASP A 747 -13.337 -6.132 9.126 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.365 -4.491 10.165 1.00 0.00 O ATOM 0 H ASP A 747 -14.754 -5.123 7.258 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.628 -3.579 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.918 -3.693 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.478 -2.984 8.380 1.00 0.00 H new ATOM 99 N LEU A 748 -10.425 -4.838 6.719 1.00 0.00 N ATOM 100 CA LEU A 748 -9.219 -5.650 6.595 1.00 0.00 C ATOM 101 C LEU A 748 -8.366 -5.553 7.857 1.00 0.00 C ATOM 102 O LEU A 748 -8.370 -4.544 8.562 1.00 0.00 O ATOM 103 CB LEU A 748 -8.403 -5.206 5.380 1.00 0.00 C ATOM 104 CG LEU A 748 -8.982 -5.573 4.013 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.347 -4.728 2.920 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.780 -7.055 3.729 1.00 0.00 C ATOM 0 H LEU A 748 -10.257 -3.832 6.731 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.522 -6.688 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -8.284 -4.123 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.406 -5.640 5.459 1.00 0.00 H new ATOM 0 HG LEU A 748 -10.053 -5.368 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.771 -5.003 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.543 -3.674 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.271 -4.900 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.198 -7.299 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.715 -7.285 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.283 -7.644 4.496 1.00 0.00 H new ATOM 118 N PRO A 749 -7.615 -6.626 8.147 1.00 0.00 N ATOM 119 CA PRO A 749 -6.741 -6.686 9.322 1.00 0.00 C ATOM 120 C PRO A 749 -5.539 -5.756 9.199 1.00 0.00 C ATOM 121 O PRO A 749 -5.145 -5.381 8.095 1.00 0.00 O ATOM 122 CB PRO A 749 -6.287 -8.147 9.352 1.00 0.00 C ATOM 123 CG PRO A 749 -6.395 -8.606 7.939 1.00 0.00 C ATOM 124 CD PRO A 749 -7.562 -7.863 7.350 1.00 0.00 C ATOM 0 HA PRO A 749 -7.255 -6.367 10.229 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.265 -8.237 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.917 -8.744 10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.479 -8.393 7.388 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.553 -9.683 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.412 -7.653 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.486 -8.435 7.433 1.00 0.00 H new ATOM 132 N GLU A 750 -4.961 -5.388 10.338 1.00 0.00 N ATOM 133 CA GLU A 750 -3.804 -4.502 10.356 1.00 0.00 C ATOM 134 C GLU A 750 -2.590 -5.179 9.726 1.00 0.00 C ATOM 135 O GLU A 750 -2.439 -6.399 9.801 1.00 0.00 O ATOM 136 CB GLU A 750 -3.479 -4.079 11.790 1.00 0.00 C ATOM 137 CG GLU A 750 -4.469 -3.082 12.369 1.00 0.00 C ATOM 138 CD GLU A 750 -4.046 -2.564 13.730 1.00 0.00 C ATOM 139 OE1 GLU A 750 -4.289 -3.266 14.734 1.00 0.00 O ATOM 140 OE2 GLU A 750 -3.471 -1.457 13.791 1.00 0.00 O ATOM 0 H GLU A 750 -5.275 -5.690 11.260 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.049 -3.616 9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -3.455 -4.965 12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -2.480 -3.643 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.577 -2.242 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -5.448 -3.554 12.452 1.00 0.00 H new ATOM 147 N ILE A 751 -1.729 -4.380 9.106 1.00 0.00 N ATOM 148 CA ILE A 751 -0.529 -4.902 8.464 1.00 0.00 C ATOM 149 C ILE A 751 0.724 -4.512 9.242 1.00 0.00 C ATOM 150 O ILE A 751 0.759 -3.473 9.900 1.00 0.00 O ATOM 151 CB ILE A 751 -0.399 -4.394 7.016 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.031 -4.592 6.509 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.799 -2.929 6.930 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.152 -4.537 5.003 1.00 0.00 C ATOM 0 H ILE A 751 -1.840 -3.369 9.034 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.624 -5.988 8.452 1.00 0.00 H new ATOM 0 HB ILE A 751 -1.072 -4.972 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.672 -3.825 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.402 -5.555 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.702 -2.585 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.833 -2.815 7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 751 -0.149 -2.336 7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.193 -4.685 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.538 -5.321 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.812 -3.565 4.646 1.00 0.00 H new ATOM 166 N GLN A 752 1.750 -5.352 9.159 1.00 0.00 N ATOM 167 CA GLN A 752 3.006 -5.095 9.854 1.00 0.00 C ATOM 168 C GLN A 752 4.071 -4.590 8.886 1.00 0.00 C ATOM 169 O GLN A 752 4.168 -5.062 7.755 1.00 0.00 O ATOM 170 CB GLN A 752 3.496 -6.364 10.553 1.00 0.00 C ATOM 171 CG GLN A 752 2.906 -6.561 11.941 1.00 0.00 C ATOM 172 CD GLN A 752 3.014 -5.319 12.802 1.00 0.00 C ATOM 173 OE1 GLN A 752 3.914 -4.498 12.619 1.00 0.00 O ATOM 174 NE2 GLN A 752 2.095 -5.173 13.750 1.00 0.00 N ATOM 0 H GLN A 752 1.737 -6.216 8.618 1.00 0.00 H new ATOM 0 HA GLN A 752 2.826 -4.323 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 752 3.248 -7.228 9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 752 4.583 -6.329 10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 752 1.858 -6.845 11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 752 3.418 -7.387 12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 752 1.367 -5.877 13.867 1.00 0.00 H new ATOM 0 HE22 GLN A 752 2.118 -4.356 14.361 1.00 0.00 H new ATOM 183 N ASN A 753 4.866 -3.626 9.339 1.00 0.00 N ATOM 184 CA ASN A 753 5.923 -3.056 8.512 1.00 0.00 C ATOM 185 C ASN A 753 5.355 -2.495 7.213 1.00 0.00 C ATOM 186 O ASN A 753 5.916 -2.700 6.137 1.00 0.00 O ATOM 187 CB ASN A 753 6.984 -4.115 8.203 1.00 0.00 C ATOM 188 CG ASN A 753 7.798 -4.493 9.425 1.00 0.00 C ATOM 189 OD1 ASN A 753 7.278 -5.085 10.372 1.00 0.00 O ATOM 190 ND2 ASN A 753 9.081 -4.151 9.411 1.00 0.00 N ATOM 0 H ASN A 753 4.798 -3.223 10.274 1.00 0.00 H new ATOM 0 HA ASN A 753 6.385 -2.240 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.499 -5.006 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.652 -3.741 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 753 9.678 -4.378 10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 753 9.469 -3.661 8.605 1.00 0.00 H new ATOM 197 N GLY A 754 4.237 -1.783 7.321 1.00 0.00 N ATOM 198 CA GLY A 754 3.610 -1.202 6.148 1.00 0.00 C ATOM 199 C GLY A 754 2.282 -0.544 6.465 1.00 0.00 C ATOM 200 O GLY A 754 1.845 -0.538 7.615 1.00 0.00 O ATOM 0 H GLY A 754 3.754 -1.598 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.282 -0.464 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.457 -1.979 5.399 1.00 0.00 H new ATOM 204 N TRP A 755 1.641 0.012 5.444 1.00 0.00 N ATOM 205 CA TRP A 755 0.356 0.678 5.620 1.00 0.00 C ATOM 206 C TRP A 755 -0.420 0.721 4.309 1.00 0.00 C ATOM 207 O TRP A 755 0.153 0.557 3.231 1.00 0.00 O ATOM 208 CB TRP A 755 0.562 2.098 6.151 1.00 0.00 C ATOM 209 CG TRP A 755 1.121 3.039 5.128 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.428 3.966 4.402 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.488 3.144 4.715 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.282 4.640 3.563 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.551 4.156 3.737 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.664 2.484 5.079 1.00 0.00 C ATOM 215 CZ2 TRP A 755 3.745 4.519 3.119 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.848 2.845 4.464 1.00 0.00 C ATOM 217 CH2 TRP A 755 4.881 3.855 3.494 1.00 0.00 C ATOM 0 H TRP A 755 1.990 0.015 4.486 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.224 0.107 6.345 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.392 2.486 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 755 1.234 2.064 7.008 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.635 4.143 4.477 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.014 5.381 2.915 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.648 1.706 5.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 3.773 5.297 2.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.763 2.340 4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 755 5.822 4.115 3.033 1.00 0.00 H new ATOM 228 N LYS A 756 -1.727 0.940 4.406 1.00 0.00 N ATOM 229 CA LYS A 756 -2.582 1.006 3.227 1.00 0.00 C ATOM 230 C LYS A 756 -3.197 2.394 3.077 1.00 0.00 C ATOM 231 O LYS A 756 -3.131 3.216 3.992 1.00 0.00 O ATOM 232 CB LYS A 756 -3.689 -0.047 3.315 1.00 0.00 C ATOM 233 CG LYS A 756 -4.701 0.225 4.415 1.00 0.00 C ATOM 234 CD LYS A 756 -5.476 -1.029 4.782 1.00 0.00 C ATOM 235 CE LYS A 756 -4.662 -1.944 5.684 1.00 0.00 C ATOM 236 NZ LYS A 756 -5.523 -2.924 6.403 1.00 0.00 N ATOM 0 H LYS A 756 -2.218 1.075 5.290 1.00 0.00 H new ATOM 0 HA LYS A 756 -1.966 0.805 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.209 -0.096 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.237 -1.024 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.187 0.607 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.395 1.000 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.402 -0.751 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.754 -1.565 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -3.923 -2.479 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -4.112 -1.344 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -4.924 -3.624 6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -6.106 -2.425 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -6.141 -3.409 5.721 1.00 0.00 H new ATOM 250 N THR A 757 -3.797 2.648 1.918 1.00 0.00 N ATOM 251 CA THR A 757 -4.424 3.936 1.649 1.00 0.00 C ATOM 252 C THR A 757 -5.842 3.757 1.119 1.00 0.00 C ATOM 253 O THR A 757 -6.044 3.245 0.017 1.00 0.00 O ATOM 254 CB THR A 757 -3.608 4.757 0.633 1.00 0.00 C ATOM 255 OG1 THR A 757 -3.262 3.940 -0.492 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.343 5.309 1.274 1.00 0.00 C ATOM 0 H THR A 757 -3.862 1.979 1.151 1.00 0.00 H new ATOM 0 HA THR A 757 -4.458 4.475 2.596 1.00 0.00 H new ATOM 0 HB THR A 757 -4.221 5.594 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 757 -4.054 3.448 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.783 5.885 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 757 -2.611 5.953 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 757 -1.728 4.484 1.633 1.00 0.00 H new ATOM 335 N LEU A 763 -15.809 0.950 1.923 1.00 0.00 N ATOM 336 CA LEU A 763 -15.357 -0.028 0.940 1.00 0.00 C ATOM 337 C LEU A 763 -16.541 -0.647 0.203 1.00 0.00 C ATOM 338 O LEU A 763 -17.218 -1.531 0.727 1.00 0.00 O ATOM 339 CB LEU A 763 -14.537 -1.124 1.622 1.00 0.00 C ATOM 340 CG LEU A 763 -13.299 -0.657 2.388 1.00 0.00 C ATOM 341 CD1 LEU A 763 -12.695 -1.808 3.178 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.272 -0.067 1.433 1.00 0.00 C ATOM 0 HA LEU A 763 -14.730 0.488 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.187 -1.659 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.221 -1.840 0.863 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.601 0.120 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -11.815 -1.457 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -13.429 -2.186 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -12.407 -2.607 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.398 0.260 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -11.974 -0.823 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.708 0.785 0.912 1.00 0.00 H new ATOM 354 N VAL A 764 -16.784 -0.177 -1.016 1.00 0.00 N ATOM 355 CA VAL A 764 -17.883 -0.687 -1.827 1.00 0.00 C ATOM 356 C VAL A 764 -17.364 -1.451 -3.040 1.00 0.00 C ATOM 357 O VAL A 764 -16.156 -1.582 -3.232 1.00 0.00 O ATOM 358 CB VAL A 764 -18.802 0.453 -2.306 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.424 1.173 -1.120 1.00 0.00 C ATOM 360 CG2 VAL A 764 -18.029 1.425 -3.185 1.00 0.00 C ATOM 0 H VAL A 764 -16.234 0.556 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.456 -1.364 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.607 0.022 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -20.070 1.975 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.013 0.467 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.636 1.594 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.693 2.224 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -17.202 1.851 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.637 0.897 -4.054 1.00 0.00 H new ATOM 370 N ARG A 765 -18.286 -1.952 -3.855 1.00 0.00 N ATOM 371 CA ARG A 765 -17.922 -2.704 -5.050 1.00 0.00 C ATOM 372 C ARG A 765 -17.066 -1.856 -5.986 1.00 0.00 C ATOM 373 O ARG A 765 -17.417 -0.722 -6.307 1.00 0.00 O ATOM 374 CB ARG A 765 -19.178 -3.181 -5.781 1.00 0.00 C ATOM 375 CG ARG A 765 -19.871 -4.352 -5.102 1.00 0.00 C ATOM 376 CD ARG A 765 -21.123 -4.771 -5.855 1.00 0.00 C ATOM 377 NE ARG A 765 -22.258 -3.901 -5.559 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.487 -4.117 -6.012 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.740 -5.170 -6.777 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.468 -3.279 -5.699 1.00 0.00 N ATOM 0 H ARG A 765 -19.291 -1.851 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.340 -3.572 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.880 -2.351 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -18.909 -3.469 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.184 -5.196 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -20.134 -4.078 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -20.924 -4.755 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.376 -5.798 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 765 -22.098 -3.082 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -22.989 -5.817 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.685 -5.333 -7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.278 -2.468 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -25.412 -3.446 -6.048 1.00 0.00 H new ATOM 394 N GLY A 766 -15.941 -2.415 -6.421 1.00 0.00 N ATOM 395 CA GLY A 766 -15.053 -1.696 -7.315 1.00 0.00 C ATOM 396 C GLY A 766 -13.903 -1.034 -6.582 1.00 0.00 C ATOM 397 O GLY A 766 -12.790 -0.956 -7.101 1.00 0.00 O ATOM 0 H GLY A 766 -15.629 -3.353 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.656 -2.386 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.621 -0.938 -7.854 1.00 0.00 H new ATOM 401 N ALA A 767 -14.173 -0.554 -5.372 1.00 0.00 N ATOM 402 CA ALA A 767 -13.152 0.105 -4.567 1.00 0.00 C ATOM 403 C ALA A 767 -11.910 -0.768 -4.434 1.00 0.00 C ATOM 404 O ALA A 767 -12.005 -1.994 -4.364 1.00 0.00 O ATOM 405 CB ALA A 767 -13.707 0.451 -3.193 1.00 0.00 C ATOM 0 H ALA A 767 -15.090 -0.609 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 767 -12.863 1.026 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.934 0.943 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.560 1.120 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -14.024 -0.462 -2.688 1.00 0.00 H new ATOM 411 N ARG A 768 -10.744 -0.130 -4.399 1.00 0.00 N ATOM 412 CA ARG A 768 -9.482 -0.850 -4.276 1.00 0.00 C ATOM 413 C ARG A 768 -8.575 -0.183 -3.247 1.00 0.00 C ATOM 414 O ARG A 768 -8.650 1.026 -3.029 1.00 0.00 O ATOM 415 CB ARG A 768 -8.774 -0.915 -5.630 1.00 0.00 C ATOM 416 CG ARG A 768 -8.260 0.432 -6.114 1.00 0.00 C ATOM 417 CD ARG A 768 -7.404 0.286 -7.362 1.00 0.00 C ATOM 418 NE ARG A 768 -7.110 1.576 -7.978 1.00 0.00 N ATOM 419 CZ ARG A 768 -6.535 1.709 -9.169 1.00 0.00 C ATOM 420 NH1 ARG A 768 -6.196 0.634 -9.868 1.00 0.00 N ATOM 421 NH2 ARG A 768 -6.300 2.918 -9.663 1.00 0.00 N ATOM 0 H ARG A 768 -10.647 0.884 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.701 -1.863 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -7.937 -1.610 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -9.463 -1.319 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -9.103 1.090 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -7.676 0.905 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -6.470 -0.214 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -7.918 -0.351 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 768 -7.360 2.422 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -6.376 -0.297 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -5.755 0.738 -10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -6.561 3.747 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -5.859 3.018 -10.577 1.00 0.00 H new ATOM 435 N ILE A 769 -7.718 -0.980 -2.617 1.00 0.00 N ATOM 436 CA ILE A 769 -6.796 -0.468 -1.611 1.00 0.00 C ATOM 437 C ILE A 769 -5.347 -0.685 -2.032 1.00 0.00 C ATOM 438 O ILE A 769 -5.009 -1.704 -2.635 1.00 0.00 O ATOM 439 CB ILE A 769 -7.027 -1.136 -0.243 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.514 -1.117 0.115 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.209 -0.437 0.833 1.00 0.00 C ATOM 442 CD1 ILE A 769 -8.864 -1.997 1.294 1.00 0.00 C ATOM 0 H ILE A 769 -7.643 -1.983 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 769 -6.990 0.601 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.701 -2.174 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.813 -0.092 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.092 -1.438 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.383 -0.921 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.150 -0.498 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.507 0.610 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -9.934 -1.934 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.597 -3.030 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.314 -1.663 2.173 1.00 0.00 H new ATOM 454 N THR A 770 -4.492 0.281 -1.709 1.00 0.00 N ATOM 455 CA THR A 770 -3.078 0.196 -2.053 1.00 0.00 C ATOM 456 C THR A 770 -2.233 -0.134 -0.828 1.00 0.00 C ATOM 457 O THR A 770 -2.279 0.573 0.178 1.00 0.00 O ATOM 458 CB THR A 770 -2.571 1.511 -2.674 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.288 1.792 -3.881 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.081 1.430 -2.971 1.00 0.00 C ATOM 0 H THR A 770 -4.754 1.131 -1.210 1.00 0.00 H new ATOM 0 HA THR A 770 -2.978 -0.605 -2.786 1.00 0.00 H new ATOM 0 HB THR A 770 -2.740 2.314 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.961 2.631 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 770 -0.746 2.370 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.535 1.246 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 770 -0.893 0.616 -3.671 1.00 0.00 H new ATOM 468 N TYR A 771 -1.461 -1.211 -0.921 1.00 0.00 N ATOM 469 CA TYR A 771 -0.606 -1.636 0.182 1.00 0.00 C ATOM 470 C TYR A 771 0.820 -1.130 -0.009 1.00 0.00 C ATOM 471 O TYR A 771 1.420 -1.317 -1.067 1.00 0.00 O ATOM 472 CB TYR A 771 -0.607 -3.161 0.297 1.00 0.00 C ATOM 473 CG TYR A 771 -1.790 -3.709 1.063 1.00 0.00 C ATOM 474 CD1 TYR A 771 -3.038 -3.822 0.465 1.00 0.00 C ATOM 475 CD2 TYR A 771 -1.658 -4.116 2.386 1.00 0.00 C ATOM 476 CE1 TYR A 771 -4.122 -4.322 1.161 1.00 0.00 C ATOM 477 CE2 TYR A 771 -2.735 -4.618 3.089 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.965 -4.719 2.473 1.00 0.00 C ATOM 479 OH TYR A 771 -5.041 -5.219 3.170 1.00 0.00 O ATOM 0 H TYR A 771 -1.409 -1.806 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 771 -1.004 -1.209 1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.601 -3.593 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.313 -3.481 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -3.164 -3.514 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -0.697 -4.038 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -5.086 -4.402 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -2.615 -4.930 4.116 1.00 0.00 H new ATOM 0 HH TYR A 771 -4.761 -5.453 4.080 1.00 0.00 H new ATOM 489 N GLN A 772 1.357 -0.488 1.024 1.00 0.00 N ATOM 490 CA GLN A 772 2.713 0.045 0.970 1.00 0.00 C ATOM 491 C GLN A 772 3.556 -0.494 2.121 1.00 0.00 C ATOM 492 O GLN A 772 3.054 -0.707 3.226 1.00 0.00 O ATOM 493 CB GLN A 772 2.684 1.574 1.016 1.00 0.00 C ATOM 494 CG GLN A 772 3.891 2.225 0.361 1.00 0.00 C ATOM 495 CD GLN A 772 3.855 2.132 -1.152 1.00 0.00 C ATOM 496 OE1 GLN A 772 3.350 3.029 -1.829 1.00 0.00 O ATOM 497 NE2 GLN A 772 4.391 1.043 -1.692 1.00 0.00 N ATOM 0 H GLN A 772 0.874 -0.325 1.907 1.00 0.00 H new ATOM 0 HA GLN A 772 3.166 -0.275 0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.779 1.927 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.627 1.897 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.938 3.273 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.800 1.749 0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 772 4.799 0.325 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 772 4.395 0.925 -2.705 1.00 0.00 H new ATOM 506 N CYS A 773 4.839 -0.714 1.856 1.00 0.00 N ATOM 507 CA CYS A 773 5.752 -1.230 2.868 1.00 0.00 C ATOM 508 C CYS A 773 6.949 -0.300 3.046 1.00 0.00 C ATOM 509 O CYS A 773 7.106 0.674 2.309 1.00 0.00 O ATOM 510 CB CYS A 773 6.234 -2.631 2.485 1.00 0.00 C ATOM 511 SG CYS A 773 4.919 -3.891 2.470 1.00 0.00 S ATOM 0 H CYS A 773 5.270 -0.543 0.948 1.00 0.00 H new ATOM 0 HA CYS A 773 5.212 -1.285 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.693 -2.588 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 773 7.011 -2.940 3.184 1.00 0.00 H new ATOM 516 N ASP A 774 7.790 -0.608 4.027 1.00 0.00 N ATOM 517 CA ASP A 774 8.973 0.199 4.301 1.00 0.00 C ATOM 518 C ASP A 774 9.905 0.225 3.094 1.00 0.00 C ATOM 519 O ASP A 774 9.863 -0.649 2.227 1.00 0.00 O ATOM 520 CB ASP A 774 9.716 -0.345 5.523 1.00 0.00 C ATOM 521 CG ASP A 774 9.155 0.189 6.826 1.00 0.00 C ATOM 522 OD1 ASP A 774 9.162 1.424 7.013 1.00 0.00 O ATOM 523 OD2 ASP A 774 8.710 -0.627 7.660 1.00 0.00 O ATOM 0 H ASP A 774 7.674 -1.411 4.646 1.00 0.00 H new ATOM 0 HA ASP A 774 8.647 1.218 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.658 -1.433 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.771 -0.082 5.450 1.00 0.00 H new ATOM 528 N PRO A 775 10.767 1.251 3.033 1.00 0.00 N ATOM 529 CA PRO A 775 11.725 1.415 1.936 1.00 0.00 C ATOM 530 C PRO A 775 12.828 0.363 1.967 1.00 0.00 C ATOM 531 O PRO A 775 13.658 0.346 2.875 1.00 0.00 O ATOM 532 CB PRO A 775 12.309 2.809 2.181 1.00 0.00 C ATOM 533 CG PRO A 775 12.141 3.039 3.643 1.00 0.00 C ATOM 534 CD PRO A 775 10.873 2.329 4.031 1.00 0.00 C ATOM 0 HA PRO A 775 11.251 1.301 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.359 2.855 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.784 3.566 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.993 2.649 4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 775 12.076 4.104 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.928 1.934 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 775 10.012 2.996 3.995 1.00 0.00 H new ATOM 542 N GLY A 776 12.831 -0.514 0.968 1.00 0.00 N ATOM 543 CA GLY A 776 13.837 -1.558 0.900 1.00 0.00 C ATOM 544 C GLY A 776 13.230 -2.945 0.830 1.00 0.00 C ATOM 545 O GLY A 776 13.907 -3.910 0.474 1.00 0.00 O ATOM 0 H GLY A 776 12.155 -0.520 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.466 -1.396 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.484 -1.492 1.774 1.00 0.00 H new ATOM 549 N TYR A 777 11.950 -3.047 1.172 1.00 0.00 N ATOM 550 CA TYR A 777 11.253 -4.327 1.150 1.00 0.00 C ATOM 551 C TYR A 777 10.335 -4.427 -0.064 1.00 0.00 C ATOM 552 O TYR A 777 10.234 -3.492 -0.859 1.00 0.00 O ATOM 553 CB TYR A 777 10.441 -4.511 2.433 1.00 0.00 C ATOM 554 CG TYR A 777 11.294 -4.731 3.663 1.00 0.00 C ATOM 555 CD1 TYR A 777 12.136 -3.732 4.136 1.00 0.00 C ATOM 556 CD2 TYR A 777 11.257 -5.937 4.351 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.917 -3.929 5.258 1.00 0.00 C ATOM 558 CE2 TYR A 777 12.033 -6.142 5.475 1.00 0.00 C ATOM 559 CZ TYR A 777 12.862 -5.135 5.925 1.00 0.00 C ATOM 560 OH TYR A 777 13.637 -5.334 7.044 1.00 0.00 O ATOM 0 H TYR A 777 11.375 -2.258 1.468 1.00 0.00 H new ATOM 0 HA TYR A 777 12.000 -5.118 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.816 -3.631 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.770 -5.361 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 777 12.181 -2.786 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.610 -6.728 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.568 -3.143 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.991 -7.085 5.999 1.00 0.00 H new ATOM 0 HH TYR A 777 13.480 -6.235 7.395 1.00 0.00 H new ATOM 570 N ASP A 778 9.668 -5.567 -0.201 1.00 0.00 N ATOM 571 CA ASP A 778 8.756 -5.791 -1.317 1.00 0.00 C ATOM 572 C ASP A 778 7.480 -6.482 -0.846 1.00 0.00 C ATOM 573 O ASP A 778 7.473 -7.160 0.182 1.00 0.00 O ATOM 574 CB ASP A 778 9.436 -6.631 -2.399 1.00 0.00 C ATOM 575 CG ASP A 778 8.587 -6.765 -3.647 1.00 0.00 C ATOM 576 OD1 ASP A 778 7.989 -5.754 -4.071 1.00 0.00 O ATOM 577 OD2 ASP A 778 8.520 -7.882 -4.202 1.00 0.00 O ATOM 0 H ASP A 778 9.741 -6.351 0.447 1.00 0.00 H new ATOM 0 HA ASP A 778 8.489 -4.821 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 778 10.392 -6.177 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 778 9.653 -7.623 -2.002 1.00 0.00 H new ATOM 582 N ILE A 779 6.403 -6.305 -1.604 1.00 0.00 N ATOM 583 CA ILE A 779 5.122 -6.912 -1.264 1.00 0.00 C ATOM 584 C ILE A 779 4.973 -8.283 -1.915 1.00 0.00 C ATOM 585 O ILE A 779 5.253 -8.452 -3.102 1.00 0.00 O ATOM 586 CB ILE A 779 3.944 -6.019 -1.697 1.00 0.00 C ATOM 587 CG1 ILE A 779 3.805 -4.826 -0.750 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.655 -6.826 -1.735 1.00 0.00 C ATOM 589 CD1 ILE A 779 2.757 -3.826 -1.187 1.00 0.00 C ATOM 0 H ILE A 779 6.392 -5.746 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 779 5.103 -7.024 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 779 4.143 -5.641 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 779 3.555 -5.191 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 779 4.768 -4.321 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 779 1.831 -6.182 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.760 -7.646 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.449 -7.230 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 779 2.713 -3.007 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 779 3.017 -3.433 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 779 1.785 -4.316 -1.238 1.00 0.00 H new ATOM 601 N VAL A 780 4.529 -9.259 -1.131 1.00 0.00 N ATOM 602 CA VAL A 780 4.339 -10.615 -1.631 1.00 0.00 C ATOM 603 C VAL A 780 2.858 -10.956 -1.748 1.00 0.00 C ATOM 604 O VAL A 780 2.158 -11.085 -0.744 1.00 0.00 O ATOM 605 CB VAL A 780 5.022 -11.651 -0.718 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.798 -13.060 -1.247 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.508 -11.351 -0.591 1.00 0.00 C ATOM 0 H VAL A 780 4.294 -9.136 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 780 4.797 -10.654 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 780 4.575 -11.586 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 780 5.288 -13.778 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.729 -13.270 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 780 5.217 -13.143 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.975 -12.093 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.972 -11.387 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.643 -10.358 -0.163 1.00 0.00 H new ATOM 617 N GLY A 781 2.385 -11.101 -2.982 1.00 0.00 N ATOM 618 CA GLY A 781 0.989 -11.426 -3.209 1.00 0.00 C ATOM 619 C GLY A 781 0.303 -10.431 -4.124 1.00 0.00 C ATOM 620 O GLY A 781 0.908 -9.929 -5.071 1.00 0.00 O ATOM 0 H GLY A 781 2.944 -10.999 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.917 -12.423 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.466 -11.456 -2.253 1.00 0.00 H new ATOM 624 N SER A 782 -0.964 -10.147 -3.843 1.00 0.00 N ATOM 625 CA SER A 782 -1.735 -9.209 -4.651 1.00 0.00 C ATOM 626 C SER A 782 -1.678 -7.805 -4.058 1.00 0.00 C ATOM 627 O SER A 782 -2.378 -7.497 -3.093 1.00 0.00 O ATOM 628 CB SER A 782 -3.190 -9.671 -4.758 1.00 0.00 C ATOM 629 OG SER A 782 -3.349 -10.618 -5.800 1.00 0.00 O ATOM 0 H SER A 782 -1.479 -10.553 -3.062 1.00 0.00 H new ATOM 0 HA SER A 782 -1.295 -9.181 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.506 -10.110 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.835 -8.812 -4.942 1.00 0.00 H new ATOM 0 HG SER A 782 -4.287 -10.899 -5.847 1.00 0.00 H new ATOM 635 N ASP A 783 -0.838 -6.957 -4.642 1.00 0.00 N ATOM 636 CA ASP A 783 -0.689 -5.584 -4.174 1.00 0.00 C ATOM 637 C ASP A 783 -2.033 -4.863 -4.167 1.00 0.00 C ATOM 638 O ASP A 783 -2.398 -4.214 -3.186 1.00 0.00 O ATOM 639 CB ASP A 783 0.306 -4.827 -5.055 1.00 0.00 C ATOM 640 CG ASP A 783 -0.249 -4.533 -6.434 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.532 -5.495 -7.177 1.00 0.00 O ATOM 642 OD2 ASP A 783 -0.401 -3.340 -6.771 1.00 0.00 O ATOM 0 H ASP A 783 -0.250 -7.196 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.308 -5.614 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.578 -3.890 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.220 -5.413 -5.152 1.00 0.00 H new ATOM 647 N THR A 784 -2.766 -4.978 -5.270 1.00 0.00 N ATOM 648 CA THR A 784 -4.069 -4.336 -5.393 1.00 0.00 C ATOM 649 C THR A 784 -5.191 -5.290 -5.001 1.00 0.00 C ATOM 650 O THR A 784 -5.211 -6.448 -5.420 1.00 0.00 O ATOM 651 CB THR A 784 -4.315 -3.834 -6.828 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.196 -3.060 -7.275 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.580 -2.993 -6.898 1.00 0.00 C ATOM 0 H THR A 784 -2.479 -5.510 -6.092 1.00 0.00 H new ATOM 0 HA THR A 784 -4.067 -3.484 -4.714 1.00 0.00 H new ATOM 0 HB THR A 784 -4.438 -4.701 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 784 -3.360 -2.746 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.733 -2.650 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.434 -3.594 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.481 -2.132 -6.237 1.00 0.00 H new ATOM 661 N LEU A 785 -6.125 -4.796 -4.195 1.00 0.00 N ATOM 662 CA LEU A 785 -7.254 -5.605 -3.746 1.00 0.00 C ATOM 663 C LEU A 785 -8.578 -4.956 -4.135 1.00 0.00 C ATOM 664 O LEU A 785 -8.970 -3.933 -3.574 1.00 0.00 O ATOM 665 CB LEU A 785 -7.195 -5.802 -2.230 1.00 0.00 C ATOM 666 CG LEU A 785 -6.125 -6.767 -1.720 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.735 -6.249 -2.055 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.269 -6.979 -0.220 1.00 0.00 C ATOM 0 H LEU A 785 -6.123 -3.840 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.190 -6.577 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -7.032 -4.830 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.168 -6.158 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.263 -7.727 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -3.987 -6.949 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.635 -6.149 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.586 -5.277 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.499 -7.669 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -6.159 -6.025 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.253 -7.396 -0.004 1.00 0.00 H new ATOM 680 N THR A 786 -9.266 -5.559 -5.100 1.00 0.00 N ATOM 681 CA THR A 786 -10.547 -5.041 -5.564 1.00 0.00 C ATOM 682 C THR A 786 -11.708 -5.762 -4.889 1.00 0.00 C ATOM 683 O THR A 786 -11.563 -6.891 -4.419 1.00 0.00 O ATOM 684 CB THR A 786 -10.689 -5.180 -7.091 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.531 -4.644 -7.742 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.934 -4.460 -7.587 1.00 0.00 C ATOM 0 H THR A 786 -8.957 -6.407 -5.575 1.00 0.00 H new ATOM 0 HA THR A 786 -10.576 -3.984 -5.299 1.00 0.00 H new ATOM 0 HB THR A 786 -10.782 -6.240 -7.330 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.629 -4.738 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 786 -12.013 -4.572 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.816 -4.890 -7.112 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.866 -3.401 -7.336 1.00 0.00 H new ATOM 694 N CYS A 787 -12.861 -5.104 -4.845 1.00 0.00 N ATOM 695 CA CYS A 787 -14.049 -5.681 -4.228 1.00 0.00 C ATOM 696 C CYS A 787 -14.965 -6.296 -5.282 1.00 0.00 C ATOM 697 O CYS A 787 -15.363 -5.630 -6.237 1.00 0.00 O ATOM 698 CB CYS A 787 -14.808 -4.615 -3.436 1.00 0.00 C ATOM 699 SG CYS A 787 -16.072 -5.285 -2.308 1.00 0.00 S ATOM 0 H CYS A 787 -12.998 -4.169 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.727 -6.469 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -14.093 -4.030 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.287 -3.930 -4.136 1.00 0.00 H new ATOM 704 N GLN A 788 -15.296 -7.571 -5.100 1.00 0.00 N ATOM 705 CA GLN A 788 -16.164 -8.275 -6.035 1.00 0.00 C ATOM 706 C GLN A 788 -17.633 -8.061 -5.682 1.00 0.00 C ATOM 707 O GLN A 788 -17.954 -7.540 -4.614 1.00 0.00 O ATOM 708 CB GLN A 788 -15.841 -9.770 -6.037 1.00 0.00 C ATOM 709 CG GLN A 788 -14.429 -10.087 -6.503 1.00 0.00 C ATOM 710 CD GLN A 788 -14.283 -11.512 -6.998 1.00 0.00 C ATOM 711 OE1 GLN A 788 -14.966 -12.419 -6.522 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.389 -11.717 -7.958 1.00 0.00 N ATOM 0 H GLN A 788 -14.976 -8.136 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.986 -7.870 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.980 -10.164 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.552 -10.286 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.151 -9.399 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.733 -9.919 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -12.845 -10.936 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.247 -12.656 -8.330 1.00 0.00 H new ATOM 721 N TRP A 789 -18.518 -8.465 -6.585 1.00 0.00 N ATOM 722 CA TRP A 789 -19.953 -8.317 -6.368 1.00 0.00 C ATOM 723 C TRP A 789 -20.420 -9.183 -5.204 1.00 0.00 C ATOM 724 O TRP A 789 -21.565 -9.081 -4.763 1.00 0.00 O ATOM 725 CB TRP A 789 -20.722 -8.688 -7.637 1.00 0.00 C ATOM 726 CG TRP A 789 -20.984 -10.159 -7.764 1.00 0.00 C ATOM 727 CD1 TRP A 789 -20.080 -11.127 -8.093 1.00 0.00 C ATOM 728 CD2 TRP A 789 -22.235 -10.826 -7.565 1.00 0.00 C ATOM 729 NE1 TRP A 789 -20.693 -12.357 -8.111 1.00 0.00 N ATOM 730 CE2 TRP A 789 -22.015 -12.199 -7.789 1.00 0.00 C ATOM 731 CE3 TRP A 789 -23.519 -10.398 -7.217 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -23.032 -13.144 -7.678 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -24.527 -11.337 -7.107 1.00 0.00 C ATOM 734 CH2 TRP A 789 -24.279 -12.697 -7.337 1.00 0.00 C ATOM 0 H TRP A 789 -18.268 -8.898 -7.474 1.00 0.00 H new ATOM 0 HA TRP A 789 -20.153 -7.274 -6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -21.673 -8.155 -7.646 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -20.158 -8.350 -8.507 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -19.036 -10.952 -8.308 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -20.238 -13.243 -8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -23.720 -9.352 -7.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -22.843 -14.192 -7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -25.523 -11.017 -6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -25.088 -13.406 -7.243 1.00 0.00 H new ATOM 745 N ASP A 790 -19.527 -10.034 -4.710 1.00 0.00 N ATOM 746 CA ASP A 790 -19.848 -10.917 -3.595 1.00 0.00 C ATOM 747 C ASP A 790 -19.283 -10.370 -2.288 1.00 0.00 C ATOM 748 O ASP A 790 -19.058 -11.117 -1.335 1.00 0.00 O ATOM 749 CB ASP A 790 -19.300 -12.321 -3.854 1.00 0.00 C ATOM 750 CG ASP A 790 -20.003 -13.013 -5.006 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.181 -12.689 -5.262 1.00 0.00 O ATOM 752 OD2 ASP A 790 -19.374 -13.880 -5.649 1.00 0.00 O ATOM 0 H ASP A 790 -18.575 -10.131 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 790 -20.933 -10.970 -3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.233 -12.258 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -19.409 -12.923 -2.952 1.00 0.00 H new ATOM 757 N LEU A 791 -19.053 -9.062 -2.250 1.00 0.00 N ATOM 758 CA LEU A 791 -18.512 -8.414 -1.060 1.00 0.00 C ATOM 759 C LEU A 791 -17.271 -9.144 -0.560 1.00 0.00 C ATOM 760 O LEU A 791 -17.101 -9.350 0.642 1.00 0.00 O ATOM 761 CB LEU A 791 -19.570 -8.366 0.044 1.00 0.00 C ATOM 762 CG LEU A 791 -20.920 -7.764 -0.346 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.933 -7.956 0.772 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.769 -6.288 -0.682 1.00 0.00 C ATOM 0 H LEU A 791 -19.233 -8.429 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 791 -18.229 -7.396 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.738 -9.381 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -19.168 -7.794 0.880 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.284 -8.283 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.888 -7.521 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.064 -9.021 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.575 -7.464 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.740 -5.876 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -20.382 -5.755 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -20.077 -6.174 -1.516 1.00 0.00 H new ATOM 776 N SER A 792 -16.403 -9.532 -1.489 1.00 0.00 N ATOM 777 CA SER A 792 -15.177 -10.241 -1.142 1.00 0.00 C ATOM 778 C SER A 792 -13.984 -9.664 -1.897 1.00 0.00 C ATOM 779 O SER A 792 -14.125 -9.159 -3.011 1.00 0.00 O ATOM 780 CB SER A 792 -15.319 -11.732 -1.455 1.00 0.00 C ATOM 781 OG SER A 792 -14.478 -12.510 -0.621 1.00 0.00 O ATOM 0 H SER A 792 -16.526 -9.367 -2.488 1.00 0.00 H new ATOM 0 HA SER A 792 -15.004 -10.116 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 792 -16.356 -12.038 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 792 -15.068 -11.913 -2.500 1.00 0.00 H new ATOM 0 HG SER A 792 -14.588 -13.459 -0.839 1.00 0.00 H new ATOM 787 N TRP A 793 -12.809 -9.742 -1.283 1.00 0.00 N ATOM 788 CA TRP A 793 -11.590 -9.227 -1.896 1.00 0.00 C ATOM 789 C TRP A 793 -10.956 -10.272 -2.807 1.00 0.00 C ATOM 790 O TRP A 793 -10.999 -11.468 -2.520 1.00 0.00 O ATOM 791 CB TRP A 793 -10.593 -8.800 -0.817 1.00 0.00 C ATOM 792 CG TRP A 793 -11.052 -7.618 -0.018 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.434 -7.613 1.293 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.178 -6.269 -0.480 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.790 -6.342 1.674 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.641 -5.499 0.604 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.944 -5.636 -1.704 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.874 -4.130 0.499 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -11.176 -4.278 -1.807 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.636 -3.536 -0.710 1.00 0.00 C ATOM 0 H TRP A 793 -12.674 -10.157 -0.361 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.855 -8.359 -2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.417 -9.638 -0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.639 -8.563 -1.288 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.453 -8.481 1.936 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.113 -6.070 2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.588 -6.199 -2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.230 -3.557 1.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -11.000 -3.779 -2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.806 -2.475 -0.822 1.00 0.00 H new ATOM 811 N SER A 794 -10.367 -9.813 -3.906 1.00 0.00 N ATOM 812 CA SER A 794 -9.726 -10.709 -4.862 1.00 0.00 C ATOM 813 C SER A 794 -9.045 -11.870 -4.145 1.00 0.00 C ATOM 814 O SER A 794 -9.104 -13.014 -4.596 1.00 0.00 O ATOM 815 CB SER A 794 -8.704 -9.945 -5.704 1.00 0.00 C ATOM 816 OG SER A 794 -7.935 -10.830 -6.500 1.00 0.00 O ATOM 0 H SER A 794 -10.320 -8.825 -4.157 1.00 0.00 H new ATOM 0 HA SER A 794 -10.497 -11.112 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.219 -9.229 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.045 -9.373 -5.051 1.00 0.00 H new ATOM 0 HG SER A 794 -7.290 -10.317 -7.030 1.00 0.00 H new ATOM 822 N SER A 795 -8.398 -11.568 -3.024 1.00 0.00 N ATOM 823 CA SER A 795 -7.701 -12.584 -2.244 1.00 0.00 C ATOM 824 C SER A 795 -7.209 -12.011 -0.919 1.00 0.00 C ATOM 825 O SER A 795 -7.478 -10.855 -0.593 1.00 0.00 O ATOM 826 CB SER A 795 -6.522 -13.147 -3.040 1.00 0.00 C ATOM 827 OG SER A 795 -6.214 -14.468 -2.630 1.00 0.00 O ATOM 0 H SER A 795 -8.342 -10.627 -2.635 1.00 0.00 H new ATOM 0 HA SER A 795 -8.404 -13.389 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 795 -6.761 -13.139 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.649 -12.508 -2.904 1.00 0.00 H new ATOM 0 HG SER A 795 -5.458 -14.806 -3.155 1.00 0.00 H new ATOM 833 N ASP A 796 -6.486 -12.827 -0.161 1.00 0.00 N ATOM 834 CA ASP A 796 -5.954 -12.402 1.129 1.00 0.00 C ATOM 835 C ASP A 796 -5.029 -11.200 0.965 1.00 0.00 C ATOM 836 O ASP A 796 -4.473 -10.955 -0.105 1.00 0.00 O ATOM 837 CB ASP A 796 -5.202 -13.553 1.799 1.00 0.00 C ATOM 838 CG ASP A 796 -6.112 -14.430 2.637 1.00 0.00 C ATOM 839 OD1 ASP A 796 -6.975 -13.877 3.349 1.00 0.00 O ATOM 840 OD2 ASP A 796 -5.959 -15.668 2.581 1.00 0.00 O ATOM 0 H ASP A 796 -6.254 -13.787 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 796 -6.792 -12.109 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -4.719 -14.162 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -4.411 -13.148 2.430 1.00 0.00 H new ATOM 845 N PRO A 797 -4.859 -10.432 2.052 1.00 0.00 N ATOM 846 CA PRO A 797 -4.003 -9.242 2.054 1.00 0.00 C ATOM 847 C PRO A 797 -2.522 -9.594 1.951 1.00 0.00 C ATOM 848 O PRO A 797 -2.048 -10.565 2.541 1.00 0.00 O ATOM 849 CB PRO A 797 -4.305 -8.590 3.405 1.00 0.00 C ATOM 850 CG PRO A 797 -4.769 -9.710 4.271 1.00 0.00 C ATOM 851 CD PRO A 797 -5.491 -10.665 3.361 1.00 0.00 C ATOM 0 HA PRO A 797 -4.202 -8.595 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.419 -8.110 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.070 -7.819 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -3.927 -10.199 4.761 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.429 -9.347 5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.372 -11.698 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.561 -10.461 3.332 1.00 0.00 H new ATOM 859 N PRO A 798 -1.774 -8.787 1.185 1.00 0.00 N ATOM 860 CA PRO A 798 -0.336 -8.993 0.988 1.00 0.00 C ATOM 861 C PRO A 798 0.470 -8.703 2.250 1.00 0.00 C ATOM 862 O PRO A 798 -0.094 -8.398 3.301 1.00 0.00 O ATOM 863 CB PRO A 798 0.018 -7.990 -0.114 1.00 0.00 C ATOM 864 CG PRO A 798 -1.015 -6.923 -0.002 1.00 0.00 C ATOM 865 CD PRO A 798 -2.273 -7.611 0.452 1.00 0.00 C ATOM 0 HA PRO A 798 -0.104 -10.027 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.021 -7.586 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 798 -0.003 -8.459 -1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.710 -6.157 0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -1.167 -6.424 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.876 -6.965 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.900 -7.900 -0.392 1.00 0.00 H new ATOM 873 N PHE A 799 1.790 -8.801 2.139 1.00 0.00 N ATOM 874 CA PHE A 799 2.673 -8.550 3.272 1.00 0.00 C ATOM 875 C PHE A 799 4.046 -8.082 2.798 1.00 0.00 C ATOM 876 O PHE A 799 4.356 -8.133 1.607 1.00 0.00 O ATOM 877 CB PHE A 799 2.818 -9.814 4.123 1.00 0.00 C ATOM 878 CG PHE A 799 2.987 -11.066 3.311 1.00 0.00 C ATOM 879 CD1 PHE A 799 1.883 -11.734 2.806 1.00 0.00 C ATOM 880 CD2 PHE A 799 4.249 -11.576 3.054 1.00 0.00 C ATOM 881 CE1 PHE A 799 2.035 -12.887 2.059 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.408 -12.728 2.308 1.00 0.00 C ATOM 883 CZ PHE A 799 3.299 -13.385 1.810 1.00 0.00 C ATOM 0 H PHE A 799 2.272 -9.052 1.276 1.00 0.00 H new ATOM 0 HA PHE A 799 2.229 -7.761 3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.677 -9.701 4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.938 -9.918 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 799 0.892 -11.349 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 799 5.119 -11.067 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.166 -13.398 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.398 -13.115 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.420 -14.286 1.227 1.00 0.00 H new ATOM 893 N CYS A 800 4.866 -7.626 3.739 1.00 0.00 N ATOM 894 CA CYS A 800 6.206 -7.148 3.420 1.00 0.00 C ATOM 895 C CYS A 800 7.256 -8.200 3.767 1.00 0.00 C ATOM 896 O CYS A 800 7.313 -8.685 4.897 1.00 0.00 O ATOM 897 CB CYS A 800 6.500 -5.850 4.175 1.00 0.00 C ATOM 898 SG CYS A 800 5.058 -4.752 4.355 1.00 0.00 S ATOM 0 H CYS A 800 4.626 -7.577 4.729 1.00 0.00 H new ATOM 0 HA CYS A 800 6.250 -6.955 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.881 -6.097 5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.291 -5.311 3.654 1.00 0.00 H new ATOM 903 N GLU A 801 8.085 -8.547 2.787 1.00 0.00 N ATOM 904 CA GLU A 801 9.132 -9.541 2.989 1.00 0.00 C ATOM 905 C GLU A 801 10.435 -9.102 2.328 1.00 0.00 C ATOM 906 O GLU A 801 10.490 -8.894 1.115 1.00 0.00 O ATOM 907 CB GLU A 801 8.694 -10.896 2.429 1.00 0.00 C ATOM 908 CG GLU A 801 9.711 -12.003 2.649 1.00 0.00 C ATOM 909 CD GLU A 801 9.660 -13.066 1.569 1.00 0.00 C ATOM 910 OE1 GLU A 801 9.309 -12.728 0.419 1.00 0.00 O ATOM 911 OE2 GLU A 801 9.972 -14.237 1.874 1.00 0.00 O ATOM 0 H GLU A 801 8.052 -8.155 1.846 1.00 0.00 H new ATOM 0 HA GLU A 801 9.304 -9.637 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.750 -11.184 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.506 -10.794 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 801 10.711 -11.571 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.533 -12.467 3.619 1.00 0.00 H new ATOM 918 N LYS A 802 11.482 -8.961 3.133 1.00 0.00 N ATOM 919 CA LYS A 802 12.786 -8.547 2.628 1.00 0.00 C ATOM 920 C LYS A 802 13.237 -9.448 1.483 1.00 0.00 C ATOM 921 O LYS A 802 13.488 -10.638 1.677 1.00 0.00 O ATOM 922 CB LYS A 802 13.823 -8.575 3.753 1.00 0.00 C ATOM 923 CG LYS A 802 15.161 -7.971 3.361 1.00 0.00 C ATOM 924 CD LYS A 802 15.966 -7.561 4.583 1.00 0.00 C ATOM 925 CE LYS A 802 16.768 -8.727 5.139 1.00 0.00 C ATOM 926 NZ LYS A 802 15.899 -9.718 5.831 1.00 0.00 N ATOM 0 H LYS A 802 11.453 -9.127 4.139 1.00 0.00 H new ATOM 0 HA LYS A 802 12.696 -7.528 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.428 -8.035 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.978 -9.607 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.730 -8.693 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.997 -7.102 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 802 16.641 -6.747 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 802 15.294 -7.181 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.304 -9.219 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 802 17.518 -8.352 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 16.409 -10.120 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 15.034 -9.248 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 15.646 -10.480 5.170 1.00 0.00 H new