USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 387 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 746 SER OG : rot 180:sc= 0 USER MOD Single : A 752 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 30:sc= -0.357 USER MOD Single : A 772 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.7) 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 61:sc= 1.13 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.5!) USER MOD Single : A 792 SER OG : rot 63:sc= 0.321 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 802 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0447) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.522 -3.288 1.862 1.00 0.00 N ATOM 60 CA GLY A 744 -19.159 -3.248 1.367 1.00 0.00 C ATOM 61 C GLY A 744 -18.337 -4.432 1.837 1.00 0.00 C ATOM 62 O GLY A 744 -18.775 -5.202 2.692 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.172 -3.228 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -18.683 -2.325 1.697 1.00 0.00 H new ATOM 66 N CYS A 745 -17.141 -4.579 1.276 1.00 0.00 N ATOM 67 CA CYS A 745 -16.256 -5.679 1.640 1.00 0.00 C ATOM 68 C CYS A 745 -15.897 -5.620 3.122 1.00 0.00 C ATOM 69 O CYS A 745 -16.039 -4.580 3.765 1.00 0.00 O ATOM 70 CB CYS A 745 -14.982 -5.637 0.794 1.00 0.00 C ATOM 71 SG CYS A 745 -15.115 -6.520 -0.794 1.00 0.00 S ATOM 0 H CYS A 745 -16.763 -3.950 0.568 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.782 -6.614 1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.723 -4.597 0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.162 -6.067 1.369 1.00 0.00 H new ATOM 76 N SER A 746 -15.431 -6.744 3.658 1.00 0.00 N ATOM 77 CA SER A 746 -15.055 -6.822 5.064 1.00 0.00 C ATOM 78 C SER A 746 -13.726 -6.115 5.312 1.00 0.00 C ATOM 79 O SER A 746 -12.812 -6.183 4.491 1.00 0.00 O ATOM 80 CB SER A 746 -14.958 -8.283 5.508 1.00 0.00 C ATOM 81 OG SER A 746 -16.216 -8.929 5.413 1.00 0.00 O ATOM 0 H SER A 746 -15.305 -7.613 3.139 1.00 0.00 H new ATOM 0 HA SER A 746 -15.827 -6.322 5.648 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.229 -8.807 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.598 -8.331 6.536 1.00 0.00 H new ATOM 0 HG SER A 746 -16.127 -9.862 5.701 1.00 0.00 H new ATOM 87 N ASP A 747 -13.628 -5.435 6.449 1.00 0.00 N ATOM 88 CA ASP A 747 -12.412 -4.715 6.807 1.00 0.00 C ATOM 89 C ASP A 747 -11.184 -5.602 6.632 1.00 0.00 C ATOM 90 O ASP A 747 -11.279 -6.830 6.680 1.00 0.00 O ATOM 91 CB ASP A 747 -12.495 -4.215 8.250 1.00 0.00 C ATOM 92 CG ASP A 747 -13.818 -3.540 8.553 1.00 0.00 C ATOM 93 OD1 ASP A 747 -14.206 -2.629 7.793 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.463 -3.921 9.552 1.00 0.00 O ATOM 0 H ASP A 747 -14.376 -5.367 7.139 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.317 -3.858 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.354 -5.054 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -11.682 -3.514 8.436 1.00 0.00 H new ATOM 99 N LEU A 748 -10.030 -4.975 6.429 1.00 0.00 N ATOM 100 CA LEU A 748 -8.782 -5.708 6.247 1.00 0.00 C ATOM 101 C LEU A 748 -7.914 -5.625 7.498 1.00 0.00 C ATOM 102 O LEU A 748 -7.939 -4.641 8.237 1.00 0.00 O ATOM 103 CB LEU A 748 -8.016 -5.157 5.043 1.00 0.00 C ATOM 104 CG LEU A 748 -8.686 -5.338 3.680 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.005 -4.473 2.631 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.661 -6.802 3.265 1.00 0.00 C ATOM 0 H LEU A 748 -9.933 -3.961 6.386 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.027 -6.755 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -7.845 -4.092 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.037 -5.636 5.011 1.00 0.00 H new ATOM 0 HG LEU A 748 -9.726 -5.021 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.495 -4.615 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.075 -3.425 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -6.956 -4.758 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.142 -6.913 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.628 -7.144 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.195 -7.399 4.004 1.00 0.00 H new ATOM 118 N PRO A 749 -7.125 -6.682 7.742 1.00 0.00 N ATOM 119 CA PRO A 749 -6.232 -6.752 8.902 1.00 0.00 C ATOM 120 C PRO A 749 -5.062 -5.780 8.792 1.00 0.00 C ATOM 121 O PRO A 749 -4.777 -5.257 7.715 1.00 0.00 O ATOM 122 CB PRO A 749 -5.729 -8.197 8.876 1.00 0.00 C ATOM 123 CG PRO A 749 -5.844 -8.613 7.451 1.00 0.00 C ATOM 124 CD PRO A 749 -7.043 -7.890 6.903 1.00 0.00 C ATOM 0 HA PRO A 749 -6.742 -6.480 9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -4.699 -8.264 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.328 -8.836 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -4.944 -8.352 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -5.968 -9.693 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -6.915 -7.640 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -7.947 -8.495 6.979 1.00 0.00 H new ATOM 132 N GLU A 750 -4.388 -5.543 9.913 1.00 0.00 N ATOM 133 CA GLU A 750 -3.249 -4.633 9.941 1.00 0.00 C ATOM 134 C GLU A 750 -2.029 -5.267 9.280 1.00 0.00 C ATOM 135 O GLU A 750 -1.785 -6.466 9.423 1.00 0.00 O ATOM 136 CB GLU A 750 -2.916 -4.242 11.383 1.00 0.00 C ATOM 137 CG GLU A 750 -2.255 -5.355 12.178 1.00 0.00 C ATOM 138 CD GLU A 750 -1.637 -4.860 13.471 1.00 0.00 C ATOM 139 OE1 GLU A 750 -0.547 -4.253 13.414 1.00 0.00 O ATOM 140 OE2 GLU A 750 -2.243 -5.080 14.540 1.00 0.00 O ATOM 0 H GLU A 750 -4.611 -5.968 10.813 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.519 -3.737 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.257 -3.374 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -3.833 -3.940 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -2.994 -6.124 12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -1.484 -5.824 11.567 1.00 0.00 H new ATOM 147 N ILE A 751 -1.267 -4.455 8.555 1.00 0.00 N ATOM 148 CA ILE A 751 -0.073 -4.936 7.872 1.00 0.00 C ATOM 149 C ILE A 751 1.188 -4.581 8.653 1.00 0.00 C ATOM 150 O ILE A 751 1.231 -3.571 9.354 1.00 0.00 O ATOM 151 CB ILE A 751 0.036 -4.353 6.450 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.428 -4.619 5.872 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.261 -2.861 6.466 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.475 -4.561 4.361 1.00 0.00 C ATOM 0 H ILE A 751 -1.455 -3.461 8.426 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.163 -6.020 7.805 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.701 -4.844 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 751 2.127 -3.888 6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.768 -5.601 6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.180 -2.463 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.271 -2.695 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.455 -2.354 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.491 -4.759 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.801 -5.311 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 751 1.166 -3.571 4.025 1.00 0.00 H new ATOM 166 N GLN A 752 2.212 -5.419 8.524 1.00 0.00 N ATOM 167 CA GLN A 752 3.475 -5.192 9.218 1.00 0.00 C ATOM 168 C GLN A 752 4.465 -4.458 8.320 1.00 0.00 C ATOM 169 O GLN A 752 4.539 -4.717 7.119 1.00 0.00 O ATOM 170 CB GLN A 752 4.074 -6.522 9.677 1.00 0.00 C ATOM 171 CG GLN A 752 3.275 -7.202 10.778 1.00 0.00 C ATOM 172 CD GLN A 752 1.901 -7.642 10.314 1.00 0.00 C ATOM 173 OE1 GLN A 752 1.753 -8.686 9.678 1.00 0.00 O ATOM 174 NE2 GLN A 752 0.886 -6.847 10.631 1.00 0.00 N ATOM 0 H GLN A 752 2.192 -6.260 7.947 1.00 0.00 H new ATOM 0 HA GLN A 752 3.275 -4.571 10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 752 4.143 -7.194 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 752 5.091 -6.350 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.827 -8.069 11.140 1.00 0.00 H new ATOM 0 HG3 GLN A 752 3.168 -6.518 11.620 1.00 0.00 H new ATOM 0 HE21 GLN A 752 1.054 -5.991 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 752 -0.062 -7.092 10.346 1.00 0.00 H new ATOM 183 N ASN A 753 5.224 -3.540 8.910 1.00 0.00 N ATOM 184 CA ASN A 753 6.210 -2.768 8.163 1.00 0.00 C ATOM 185 C ASN A 753 5.565 -2.078 6.964 1.00 0.00 C ATOM 186 O ASN A 753 6.121 -2.069 5.867 1.00 0.00 O ATOM 187 CB ASN A 753 7.349 -3.674 7.692 1.00 0.00 C ATOM 188 CG ASN A 753 8.259 -4.097 8.829 1.00 0.00 C ATOM 189 OD1 ASN A 753 7.908 -4.964 9.630 1.00 0.00 O ATOM 190 ND2 ASN A 753 9.435 -3.485 8.904 1.00 0.00 N ATOM 0 H ASN A 753 5.175 -3.313 9.903 1.00 0.00 H new ATOM 0 HA ASN A 753 6.614 -2.004 8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.931 -4.561 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.935 -3.152 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 753 10.090 -3.728 9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 753 9.684 -2.772 8.218 1.00 0.00 H new ATOM 197 N GLY A 754 4.388 -1.500 7.184 1.00 0.00 N ATOM 198 CA GLY A 754 3.687 -0.815 6.113 1.00 0.00 C ATOM 199 C GLY A 754 2.252 -0.488 6.476 1.00 0.00 C ATOM 200 O GLY A 754 1.799 -0.793 7.580 1.00 0.00 O ATOM 0 H GLY A 754 3.908 -1.494 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.216 0.106 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.699 -1.437 5.218 1.00 0.00 H new ATOM 204 N TRP A 755 1.536 0.136 5.548 1.00 0.00 N ATOM 205 CA TRP A 755 0.144 0.506 5.777 1.00 0.00 C ATOM 206 C TRP A 755 -0.616 0.608 4.459 1.00 0.00 C ATOM 207 O TRP A 755 -0.015 0.668 3.386 1.00 0.00 O ATOM 208 CB TRP A 755 0.066 1.836 6.529 1.00 0.00 C ATOM 209 CG TRP A 755 0.435 3.018 5.685 1.00 0.00 C ATOM 210 CD1 TRP A 755 -0.420 3.926 5.127 1.00 0.00 C ATOM 211 CD2 TRP A 755 1.755 3.419 5.301 1.00 0.00 C ATOM 212 NE1 TRP A 755 0.289 4.867 4.420 1.00 0.00 N ATOM 213 CE2 TRP A 755 1.625 4.579 4.512 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.033 2.912 5.549 1.00 0.00 C ATOM 215 CZ2 TRP A 755 2.726 5.236 3.970 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.125 3.566 5.010 1.00 0.00 C ATOM 217 CH2 TRP A 755 3.966 4.718 4.229 1.00 0.00 C ATOM 0 H TRP A 755 1.896 0.396 4.630 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.319 -0.274 6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.947 1.972 6.909 1.00 0.00 H new ATOM 0 HB3 TRP A 755 0.728 1.795 7.394 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -1.495 3.907 5.227 1.00 0.00 H new ATOM 0 HE1 TRP A 755 -0.114 5.653 3.909 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.165 2.025 6.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 2.606 6.123 3.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.118 3.182 5.194 1.00 0.00 H new ATOM 0 HH2 TRP A 755 4.839 5.207 3.823 1.00 0.00 H new ATOM 228 N LYS A 756 -1.942 0.627 4.546 1.00 0.00 N ATOM 229 CA LYS A 756 -2.785 0.723 3.360 1.00 0.00 C ATOM 230 C LYS A 756 -3.303 2.146 3.174 1.00 0.00 C ATOM 231 O LYS A 756 -3.380 2.920 4.129 1.00 0.00 O ATOM 232 CB LYS A 756 -3.962 -0.250 3.466 1.00 0.00 C ATOM 233 CG LYS A 756 -5.083 0.247 4.362 1.00 0.00 C ATOM 234 CD LYS A 756 -6.223 -0.755 4.436 1.00 0.00 C ATOM 235 CE LYS A 756 -7.450 -0.155 5.107 1.00 0.00 C ATOM 236 NZ LYS A 756 -8.644 -1.032 4.965 1.00 0.00 N ATOM 0 H LYS A 756 -2.456 0.577 5.426 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.180 0.459 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.360 -0.435 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.600 -1.205 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.695 0.432 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.457 1.198 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.483 -1.087 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.899 -1.636 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.243 0.008 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -7.662 0.821 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -9.459 -0.588 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -8.858 -1.167 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -8.451 -1.955 5.404 1.00 0.00 H new ATOM 250 N THR A 757 -3.659 2.485 1.939 1.00 0.00 N ATOM 251 CA THR A 757 -4.170 3.814 1.629 1.00 0.00 C ATOM 252 C THR A 757 -5.405 3.734 0.738 1.00 0.00 C ATOM 253 O THR A 757 -5.297 3.601 -0.481 1.00 0.00 O ATOM 254 CB THR A 757 -3.103 4.677 0.931 1.00 0.00 C ATOM 255 OG1 THR A 757 -2.613 4.004 -0.234 1.00 0.00 O ATOM 256 CG2 THR A 757 -1.947 4.976 1.873 1.00 0.00 C ATOM 0 H THR A 757 -3.603 1.857 1.137 1.00 0.00 H new ATOM 0 HA THR A 757 -4.439 4.279 2.578 1.00 0.00 H new ATOM 0 HB THR A 757 -3.566 5.620 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 757 -1.936 4.560 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.206 5.587 1.357 1.00 0.00 H new ATOM 0 HG22 THR A 757 -2.318 5.515 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 757 -1.487 4.041 2.193 1.00 0.00 H new ATOM 335 N LEU A 763 -15.566 1.657 1.562 1.00 0.00 N ATOM 336 CA LEU A 763 -15.353 0.342 0.969 1.00 0.00 C ATOM 337 C LEU A 763 -16.609 -0.143 0.252 1.00 0.00 C ATOM 338 O LEU A 763 -17.538 -0.650 0.880 1.00 0.00 O ATOM 339 CB LEU A 763 -14.946 -0.665 2.046 1.00 0.00 C ATOM 340 CG LEU A 763 -13.535 -0.507 2.614 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.374 -1.332 3.881 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.495 -0.909 1.578 1.00 0.00 C ATOM 0 HA LEU A 763 -14.550 0.427 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.657 -0.594 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.038 -1.668 1.630 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.381 0.542 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -12.364 -1.207 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.095 -0.997 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -13.548 -2.384 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.497 -0.790 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.648 -1.950 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.595 -0.275 0.697 1.00 0.00 H new ATOM 354 N VAL A 764 -16.629 0.015 -1.068 1.00 0.00 N ATOM 355 CA VAL A 764 -17.769 -0.410 -1.871 1.00 0.00 C ATOM 356 C VAL A 764 -17.319 -1.238 -3.070 1.00 0.00 C ATOM 357 O VAL A 764 -16.127 -1.485 -3.254 1.00 0.00 O ATOM 358 CB VAL A 764 -18.583 0.798 -2.372 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.243 1.517 -1.206 1.00 0.00 C ATOM 360 CG2 VAL A 764 -17.696 1.748 -3.162 1.00 0.00 C ATOM 0 H VAL A 764 -15.869 0.434 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.400 -1.022 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.368 0.435 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -19.814 2.368 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -19.912 0.831 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.477 1.869 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.288 2.595 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -16.888 2.106 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.276 1.224 -4.021 1.00 0.00 H new ATOM 370 N ARG A 765 -18.280 -1.663 -3.883 1.00 0.00 N ATOM 371 CA ARG A 765 -17.983 -2.464 -5.064 1.00 0.00 C ATOM 372 C ARG A 765 -17.069 -1.703 -6.021 1.00 0.00 C ATOM 373 O ARG A 765 -17.354 -0.567 -6.397 1.00 0.00 O ATOM 374 CB ARG A 765 -19.278 -2.854 -5.781 1.00 0.00 C ATOM 375 CG ARG A 765 -20.118 -3.862 -5.014 1.00 0.00 C ATOM 376 CD ARG A 765 -21.215 -4.451 -5.887 1.00 0.00 C ATOM 377 NE ARG A 765 -22.261 -3.476 -6.184 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.243 -3.693 -7.052 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.312 -4.845 -7.705 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.158 -2.757 -7.269 1.00 0.00 N ATOM 0 H ARG A 765 -19.271 -1.466 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.469 -3.368 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.872 -1.957 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -19.032 -3.268 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.478 -4.662 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -20.563 -3.379 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -20.781 -4.813 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.655 -5.313 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 765 -22.236 -2.579 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -22.610 -5.567 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.067 -5.009 -8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.108 -1.869 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -24.911 -2.925 -7.936 1.00 0.00 H new ATOM 394 N GLY A 766 -15.968 -2.339 -6.411 1.00 0.00 N ATOM 395 CA GLY A 766 -15.029 -1.708 -7.319 1.00 0.00 C ATOM 396 C GLY A 766 -13.881 -1.036 -6.591 1.00 0.00 C ATOM 397 O GLY A 766 -12.822 -0.802 -7.172 1.00 0.00 O ATOM 0 H GLY A 766 -15.710 -3.280 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.632 -2.457 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.554 -0.969 -7.924 1.00 0.00 H new ATOM 401 N ALA A 767 -14.092 -0.724 -5.317 1.00 0.00 N ATOM 402 CA ALA A 767 -13.067 -0.076 -4.509 1.00 0.00 C ATOM 403 C ALA A 767 -11.754 -0.850 -4.564 1.00 0.00 C ATOM 404 O ALA A 767 -11.749 -2.081 -4.575 1.00 0.00 O ATOM 405 CB ALA A 767 -13.539 0.065 -3.070 1.00 0.00 C ATOM 0 H ALA A 767 -14.964 -0.910 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 767 -12.890 0.918 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.763 0.551 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.447 0.668 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.746 -0.922 -2.657 1.00 0.00 H new ATOM 411 N ARG A 768 -10.643 -0.121 -4.599 1.00 0.00 N ATOM 412 CA ARG A 768 -9.325 -0.740 -4.654 1.00 0.00 C ATOM 413 C ARG A 768 -8.458 -0.279 -3.486 1.00 0.00 C ATOM 414 O ARG A 768 -8.493 0.889 -3.098 1.00 0.00 O ATOM 415 CB ARG A 768 -8.636 -0.405 -5.978 1.00 0.00 C ATOM 416 CG ARG A 768 -9.041 -1.317 -7.124 1.00 0.00 C ATOM 417 CD ARG A 768 -8.415 -0.874 -8.437 1.00 0.00 C ATOM 418 NE ARG A 768 -8.813 -1.732 -9.550 1.00 0.00 N ATOM 419 CZ ARG A 768 -8.719 -1.372 -10.825 1.00 0.00 C ATOM 420 NH1 ARG A 768 -8.242 -0.177 -11.147 1.00 0.00 N ATOM 421 NH2 ARG A 768 -9.102 -2.208 -11.782 1.00 0.00 N ATOM 0 H ARG A 768 -10.630 0.899 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.455 -1.820 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -8.866 0.626 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -7.556 -0.465 -5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -8.737 -2.340 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -10.127 -1.321 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -8.708 0.154 -8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -7.329 -0.883 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 768 -9.183 -2.658 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -7.946 0.468 -10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -8.171 0.097 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -9.469 -3.128 -11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -9.029 -1.930 -12.761 1.00 0.00 H new ATOM 435 N ILE A 769 -7.682 -1.204 -2.930 1.00 0.00 N ATOM 436 CA ILE A 769 -6.807 -0.891 -1.808 1.00 0.00 C ATOM 437 C ILE A 769 -5.348 -0.834 -2.247 1.00 0.00 C ATOM 438 O ILE A 769 -4.937 -1.540 -3.169 1.00 0.00 O ATOM 439 CB ILE A 769 -6.950 -1.927 -0.677 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.428 -2.195 -0.386 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.237 -1.444 0.577 1.00 0.00 C ATOM 442 CD1 ILE A 769 -9.162 -0.994 0.168 1.00 0.00 C ATOM 0 H ILE A 769 -7.642 -2.175 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.110 0.087 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.487 -2.860 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.918 -2.518 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -8.507 -3.018 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.347 -2.187 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.179 -1.299 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.674 -0.500 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -10.204 -1.257 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.697 -0.683 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -9.115 -0.175 -0.550 1.00 0.00 H new ATOM 454 N THR A 770 -4.567 0.010 -1.581 1.00 0.00 N ATOM 455 CA THR A 770 -3.153 0.159 -1.902 1.00 0.00 C ATOM 456 C THR A 770 -2.278 -0.165 -0.696 1.00 0.00 C ATOM 457 O THR A 770 -2.297 0.549 0.307 1.00 0.00 O ATOM 458 CB THR A 770 -2.834 1.587 -2.384 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.590 1.886 -3.563 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.349 1.741 -2.675 1.00 0.00 C ATOM 0 H THR A 770 -4.890 0.601 -0.815 1.00 0.00 H new ATOM 0 HA THR A 770 -2.935 -0.545 -2.705 1.00 0.00 H new ATOM 0 HB THR A 770 -3.107 2.284 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.383 2.796 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 770 -1.148 2.757 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.778 1.541 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.055 1.035 -3.452 1.00 0.00 H new ATOM 468 N TYR A 771 -1.512 -1.245 -0.801 1.00 0.00 N ATOM 469 CA TYR A 771 -0.630 -1.664 0.282 1.00 0.00 C ATOM 470 C TYR A 771 0.795 -1.174 0.046 1.00 0.00 C ATOM 471 O TYR A 771 1.394 -1.454 -0.992 1.00 0.00 O ATOM 472 CB TYR A 771 -0.642 -3.188 0.416 1.00 0.00 C ATOM 473 CG TYR A 771 -1.773 -3.712 1.273 1.00 0.00 C ATOM 474 CD1 TYR A 771 -1.669 -3.733 2.658 1.00 0.00 C ATOM 475 CD2 TYR A 771 -2.945 -4.186 0.697 1.00 0.00 C ATOM 476 CE1 TYR A 771 -2.699 -4.211 3.445 1.00 0.00 C ATOM 477 CE2 TYR A 771 -3.980 -4.665 1.476 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.853 -4.676 2.849 1.00 0.00 C ATOM 479 OH TYR A 771 -4.881 -5.153 3.628 1.00 0.00 O ATOM 0 H TYR A 771 -1.484 -1.846 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.998 -1.221 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.715 -3.631 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.307 -3.514 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -0.767 -3.369 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -3.049 -4.180 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -2.601 -4.221 4.521 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -4.885 -5.029 1.012 1.00 0.00 H new ATOM 0 HH TYR A 771 -4.878 -4.691 4.492 1.00 0.00 H new ATOM 489 N GLN A 772 1.331 -0.442 1.017 1.00 0.00 N ATOM 490 CA GLN A 772 2.686 0.087 0.916 1.00 0.00 C ATOM 491 C GLN A 772 3.513 -0.295 2.139 1.00 0.00 C ATOM 492 O GLN A 772 3.013 -0.294 3.264 1.00 0.00 O ATOM 493 CB GLN A 772 2.651 1.609 0.764 1.00 0.00 C ATOM 494 CG GLN A 772 4.022 2.230 0.547 1.00 0.00 C ATOM 495 CD GLN A 772 4.746 1.641 -0.648 1.00 0.00 C ATOM 496 OE1 GLN A 772 4.125 1.081 -1.551 1.00 0.00 O ATOM 497 NE2 GLN A 772 6.068 1.766 -0.659 1.00 0.00 N ATOM 0 H GLN A 772 0.848 -0.202 1.883 1.00 0.00 H new ATOM 0 HA GLN A 772 3.154 -0.349 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 772 2.007 1.867 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.201 2.045 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.912 3.305 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.628 2.086 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 772 6.542 2.238 0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 772 6.609 1.390 -1.437 1.00 0.00 H new ATOM 506 N CYS A 773 4.780 -0.623 1.911 1.00 0.00 N ATOM 507 CA CYS A 773 5.677 -1.009 2.993 1.00 0.00 C ATOM 508 C CYS A 773 6.850 -0.038 3.099 1.00 0.00 C ATOM 509 O CYS A 773 7.033 0.827 2.243 1.00 0.00 O ATOM 510 CB CYS A 773 6.196 -2.431 2.772 1.00 0.00 C ATOM 511 SG CYS A 773 4.886 -3.663 2.480 1.00 0.00 S ATOM 0 H CYS A 773 5.209 -0.629 0.986 1.00 0.00 H new ATOM 0 HA CYS A 773 5.115 -0.976 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.876 -2.430 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.777 -2.734 3.643 1.00 0.00 H new ATOM 516 N ASP A 774 7.642 -0.190 4.155 1.00 0.00 N ATOM 517 CA ASP A 774 8.799 0.671 4.373 1.00 0.00 C ATOM 518 C ASP A 774 9.790 0.553 3.219 1.00 0.00 C ATOM 519 O ASP A 774 9.789 -0.421 2.466 1.00 0.00 O ATOM 520 CB ASP A 774 9.487 0.313 5.691 1.00 0.00 C ATOM 521 CG ASP A 774 8.882 1.041 6.876 1.00 0.00 C ATOM 522 OD1 ASP A 774 8.427 2.190 6.697 1.00 0.00 O ATOM 523 OD2 ASP A 774 8.864 0.462 7.982 1.00 0.00 O ATOM 0 H ASP A 774 7.504 -0.901 4.873 1.00 0.00 H new ATOM 0 HA ASP A 774 8.449 1.702 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.416 -0.762 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.547 0.556 5.622 1.00 0.00 H new ATOM 528 N PRO A 775 10.656 1.567 3.076 1.00 0.00 N ATOM 529 CA PRO A 775 11.668 1.600 2.016 1.00 0.00 C ATOM 530 C PRO A 775 12.766 0.564 2.230 1.00 0.00 C ATOM 531 O PRO A 775 13.643 0.741 3.075 1.00 0.00 O ATOM 532 CB PRO A 775 12.241 3.016 2.117 1.00 0.00 C ATOM 533 CG PRO A 775 12.000 3.422 3.529 1.00 0.00 C ATOM 534 CD PRO A 775 10.713 2.760 3.937 1.00 0.00 C ATOM 0 HA PRO A 775 11.244 1.366 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.304 3.031 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.747 3.694 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.822 3.106 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.926 4.506 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.716 2.493 4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.856 3.414 3.775 1.00 0.00 H new ATOM 542 N GLY A 776 12.712 -0.518 1.459 1.00 0.00 N ATOM 543 CA GLY A 776 13.708 -1.566 1.581 1.00 0.00 C ATOM 544 C GLY A 776 13.099 -2.953 1.534 1.00 0.00 C ATOM 545 O GLY A 776 13.794 -3.936 1.274 1.00 0.00 O ATOM 0 H GLY A 776 11.996 -0.687 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.437 -1.465 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.249 -1.442 2.519 1.00 0.00 H new ATOM 549 N TYR A 777 11.797 -3.035 1.786 1.00 0.00 N ATOM 550 CA TYR A 777 11.095 -4.313 1.776 1.00 0.00 C ATOM 551 C TYR A 777 10.335 -4.506 0.467 1.00 0.00 C ATOM 552 O TYR A 777 10.319 -3.623 -0.391 1.00 0.00 O ATOM 553 CB TYR A 777 10.128 -4.397 2.958 1.00 0.00 C ATOM 554 CG TYR A 777 10.818 -4.524 4.297 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.686 -3.538 4.750 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.601 -5.630 5.110 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.319 -3.651 5.973 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.229 -5.750 6.335 1.00 0.00 C ATOM 559 CZ TYR A 777 12.087 -4.758 6.761 1.00 0.00 C ATOM 560 OH TYR A 777 12.715 -4.873 7.981 1.00 0.00 O ATOM 0 H TYR A 777 11.206 -2.231 2.000 1.00 0.00 H new ATOM 0 HA TYR A 777 11.836 -5.107 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.499 -3.507 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.468 -5.253 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.869 -2.669 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 777 9.930 -6.409 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 777 12.992 -2.876 6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.049 -6.616 6.955 1.00 0.00 H new ATOM 0 HH TYR A 777 12.443 -5.710 8.411 1.00 0.00 H new ATOM 570 N ASP A 778 9.706 -5.667 0.322 1.00 0.00 N ATOM 571 CA ASP A 778 8.942 -5.977 -0.881 1.00 0.00 C ATOM 572 C ASP A 778 7.607 -6.625 -0.524 1.00 0.00 C ATOM 573 O ASP A 778 7.486 -7.293 0.503 1.00 0.00 O ATOM 574 CB ASP A 778 9.744 -6.903 -1.796 1.00 0.00 C ATOM 575 CG ASP A 778 10.960 -6.220 -2.389 1.00 0.00 C ATOM 576 OD1 ASP A 778 11.862 -5.835 -1.615 1.00 0.00 O ATOM 577 OD2 ASP A 778 11.010 -6.069 -3.628 1.00 0.00 O ATOM 0 H ASP A 778 9.710 -6.409 1.022 1.00 0.00 H new ATOM 0 HA ASP A 778 8.744 -5.043 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 778 10.062 -7.780 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 778 9.102 -7.258 -2.602 1.00 0.00 H new ATOM 582 N ILE A 779 6.610 -6.421 -1.378 1.00 0.00 N ATOM 583 CA ILE A 779 5.285 -6.985 -1.153 1.00 0.00 C ATOM 584 C ILE A 779 5.171 -8.379 -1.761 1.00 0.00 C ATOM 585 O ILE A 779 5.632 -8.622 -2.876 1.00 0.00 O ATOM 586 CB ILE A 779 4.183 -6.088 -1.745 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.070 -4.787 -0.947 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.851 -6.823 -1.760 1.00 0.00 C ATOM 589 CD1 ILE A 779 2.724 -4.111 -1.081 1.00 0.00 C ATOM 0 H ILE A 779 6.695 -5.869 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 779 5.149 -7.049 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 779 4.451 -5.841 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 779 4.258 -4.998 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 779 4.848 -4.099 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 779 2.083 -6.175 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.939 -7.724 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.576 -7.098 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 779 2.716 -3.196 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.542 -3.868 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 779 1.943 -4.782 -0.723 1.00 0.00 H new ATOM 601 N VAL A 780 4.550 -9.293 -1.020 1.00 0.00 N ATOM 602 CA VAL A 780 4.372 -10.662 -1.486 1.00 0.00 C ATOM 603 C VAL A 780 2.895 -10.993 -1.670 1.00 0.00 C ATOM 604 O VAL A 780 2.160 -11.158 -0.698 1.00 0.00 O ATOM 605 CB VAL A 780 4.995 -11.675 -0.507 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.793 -13.097 -1.007 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.473 -11.377 -0.303 1.00 0.00 C ATOM 0 H VAL A 780 4.162 -9.109 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 780 4.881 -10.737 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 780 4.492 -11.581 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 780 5.240 -13.798 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.726 -13.303 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 780 5.268 -13.211 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.898 -12.102 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.993 -11.442 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.589 -10.373 0.105 1.00 0.00 H new ATOM 617 N GLY A 781 2.467 -11.088 -2.925 1.00 0.00 N ATOM 618 CA GLY A 781 1.079 -11.398 -3.214 1.00 0.00 C ATOM 619 C GLY A 781 0.449 -10.403 -4.169 1.00 0.00 C ATOM 620 O GLY A 781 1.086 -9.960 -5.123 1.00 0.00 O ATOM 0 H GLY A 781 3.057 -10.956 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 781 1.015 -12.398 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.512 -11.413 -2.283 1.00 0.00 H new ATOM 624 N SER A 782 -0.808 -10.053 -3.912 1.00 0.00 N ATOM 625 CA SER A 782 -1.526 -9.109 -4.759 1.00 0.00 C ATOM 626 C SER A 782 -1.654 -7.752 -4.074 1.00 0.00 C ATOM 627 O SER A 782 -2.488 -7.568 -3.187 1.00 0.00 O ATOM 628 CB SER A 782 -2.915 -9.653 -5.101 1.00 0.00 C ATOM 629 OG SER A 782 -2.856 -10.549 -6.197 1.00 0.00 O ATOM 0 H SER A 782 -1.349 -10.409 -3.124 1.00 0.00 H new ATOM 0 HA SER A 782 -0.957 -8.979 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.333 -10.162 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.584 -8.826 -5.339 1.00 0.00 H new ATOM 0 HG SER A 782 -3.756 -10.884 -6.395 1.00 0.00 H new ATOM 635 N ASP A 783 -0.820 -6.805 -4.491 1.00 0.00 N ATOM 636 CA ASP A 783 -0.839 -5.464 -3.919 1.00 0.00 C ATOM 637 C ASP A 783 -2.224 -4.838 -4.046 1.00 0.00 C ATOM 638 O ASP A 783 -2.803 -4.379 -3.060 1.00 0.00 O ATOM 639 CB ASP A 783 0.199 -4.578 -4.609 1.00 0.00 C ATOM 640 CG ASP A 783 0.182 -4.732 -6.117 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.704 -4.136 -6.765 1.00 0.00 O ATOM 642 OD2 ASP A 783 1.056 -5.449 -6.649 1.00 0.00 O ATOM 0 H ASP A 783 -0.123 -6.942 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.592 -5.544 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.011 -3.536 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.192 -4.826 -4.233 1.00 0.00 H new ATOM 647 N THR A 784 -2.752 -4.822 -5.266 1.00 0.00 N ATOM 648 CA THR A 784 -4.068 -4.251 -5.523 1.00 0.00 C ATOM 649 C THR A 784 -5.172 -5.258 -5.223 1.00 0.00 C ATOM 650 O THR A 784 -5.102 -6.415 -5.642 1.00 0.00 O ATOM 651 CB THR A 784 -4.201 -3.780 -6.983 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.124 -2.896 -7.312 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.530 -3.074 -7.205 1.00 0.00 C ATOM 0 H THR A 784 -2.287 -5.199 -6.092 1.00 0.00 H new ATOM 0 HA THR A 784 -4.174 -3.391 -4.861 1.00 0.00 H new ATOM 0 HB THR A 784 -4.161 -4.656 -7.630 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.271 -3.367 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.601 -2.750 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.348 -3.759 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.595 -2.206 -6.549 1.00 0.00 H new ATOM 661 N LEU A 785 -6.191 -4.813 -4.497 1.00 0.00 N ATOM 662 CA LEU A 785 -7.312 -5.676 -4.141 1.00 0.00 C ATOM 663 C LEU A 785 -8.639 -5.036 -4.537 1.00 0.00 C ATOM 664 O LEU A 785 -8.937 -3.906 -4.147 1.00 0.00 O ATOM 665 CB LEU A 785 -7.301 -5.967 -2.640 1.00 0.00 C ATOM 666 CG LEU A 785 -6.286 -7.008 -2.165 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.875 -6.590 -2.548 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.395 -7.212 -0.661 1.00 0.00 C ATOM 0 H LEU A 785 -6.264 -3.859 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.204 -6.613 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -7.109 -5.034 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.297 -6.300 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.508 -7.955 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -4.166 -7.342 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.805 -6.496 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.641 -5.631 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.665 -7.956 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -6.199 -6.269 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.398 -7.558 -0.412 1.00 0.00 H new ATOM 680 N THR A 786 -9.435 -5.766 -5.312 1.00 0.00 N ATOM 681 CA THR A 786 -10.730 -5.271 -5.760 1.00 0.00 C ATOM 682 C THR A 786 -11.869 -5.962 -5.019 1.00 0.00 C ATOM 683 O THR A 786 -11.760 -7.129 -4.642 1.00 0.00 O ATOM 684 CB THR A 786 -10.918 -5.477 -7.274 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.674 -5.276 -7.954 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.963 -4.519 -7.826 1.00 0.00 C ATOM 0 H THR A 786 -9.205 -6.703 -5.643 1.00 0.00 H new ATOM 0 HA THR A 786 -10.753 -4.203 -5.541 1.00 0.00 H new ATOM 0 HB THR A 786 -11.261 -6.498 -7.439 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.802 -5.411 -8.916 1.00 0.00 H new ATOM 0 HG21 THR A 786 -12.078 -4.684 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.916 -4.694 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.644 -3.492 -7.649 1.00 0.00 H new ATOM 694 N CYS A 787 -12.963 -5.236 -4.814 1.00 0.00 N ATOM 695 CA CYS A 787 -14.123 -5.779 -4.119 1.00 0.00 C ATOM 696 C CYS A 787 -15.134 -6.349 -5.110 1.00 0.00 C ATOM 697 O CYS A 787 -15.711 -5.615 -5.913 1.00 0.00 O ATOM 698 CB CYS A 787 -14.785 -4.697 -3.264 1.00 0.00 C ATOM 699 SG CYS A 787 -16.041 -5.328 -2.105 1.00 0.00 S ATOM 0 H CYS A 787 -13.070 -4.269 -5.120 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.781 -6.586 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -14.014 -4.174 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.250 -3.963 -3.922 1.00 0.00 H new ATOM 704 N GLN A 788 -15.342 -7.660 -5.047 1.00 0.00 N ATOM 705 CA GLN A 788 -16.283 -8.327 -5.940 1.00 0.00 C ATOM 706 C GLN A 788 -17.721 -7.969 -5.580 1.00 0.00 C ATOM 707 O GLN A 788 -17.980 -7.368 -4.538 1.00 0.00 O ATOM 708 CB GLN A 788 -16.091 -9.843 -5.876 1.00 0.00 C ATOM 709 CG GLN A 788 -14.783 -10.317 -6.489 1.00 0.00 C ATOM 710 CD GLN A 788 -14.809 -11.788 -6.854 1.00 0.00 C ATOM 711 OE1 GLN A 788 -15.827 -12.463 -6.691 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.688 -12.295 -7.353 1.00 0.00 N ATOM 0 H GLN A 788 -14.872 -8.281 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 788 -16.086 -7.985 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -16.131 -10.162 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.921 -10.328 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.570 -9.729 -7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.970 -10.135 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -12.868 -11.700 -7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.647 -13.279 -7.618 1.00 0.00 H new ATOM 721 N TRP A 789 -18.653 -8.342 -6.450 1.00 0.00 N ATOM 722 CA TRP A 789 -20.066 -8.060 -6.225 1.00 0.00 C ATOM 723 C TRP A 789 -20.593 -8.844 -5.028 1.00 0.00 C ATOM 724 O TRP A 789 -21.727 -8.642 -4.593 1.00 0.00 O ATOM 725 CB TRP A 789 -20.881 -8.401 -7.473 1.00 0.00 C ATOM 726 CG TRP A 789 -21.298 -9.840 -7.535 1.00 0.00 C ATOM 727 CD1 TRP A 789 -20.649 -10.854 -8.181 1.00 0.00 C ATOM 728 CD2 TRP A 789 -22.457 -10.423 -6.930 1.00 0.00 C ATOM 729 NE1 TRP A 789 -21.336 -12.032 -8.014 1.00 0.00 N ATOM 730 CE2 TRP A 789 -22.448 -11.795 -7.250 1.00 0.00 C ATOM 731 CE3 TRP A 789 -23.501 -9.921 -6.149 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -23.443 -12.667 -6.815 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -24.487 -10.787 -5.718 1.00 0.00 C ATOM 734 CH2 TRP A 789 -24.452 -12.148 -6.051 1.00 0.00 C ATOM 0 H TRP A 789 -18.456 -8.840 -7.318 1.00 0.00 H new ATOM 0 HA TRP A 789 -20.169 -6.996 -6.013 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -21.770 -7.771 -7.501 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -20.293 -8.162 -8.359 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -19.731 -10.746 -8.740 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -21.062 -12.937 -8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -23.536 -8.874 -5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -23.419 -13.716 -7.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -25.299 -10.409 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -25.237 -12.800 -5.697 1.00 0.00 H new ATOM 745 N ASP A 790 -19.765 -9.738 -4.500 1.00 0.00 N ATOM 746 CA ASP A 790 -20.148 -10.551 -3.352 1.00 0.00 C ATOM 747 C ASP A 790 -19.549 -9.991 -2.065 1.00 0.00 C ATOM 748 O ASP A 790 -19.506 -10.673 -1.040 1.00 0.00 O ATOM 749 CB ASP A 790 -19.695 -11.999 -3.552 1.00 0.00 C ATOM 750 CG ASP A 790 -20.596 -12.761 -4.504 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.786 -12.399 -4.611 1.00 0.00 O ATOM 752 OD2 ASP A 790 -20.111 -13.719 -5.140 1.00 0.00 O ATOM 0 H ASP A 790 -18.824 -9.918 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 790 -21.234 -10.526 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.675 -12.008 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -19.677 -12.507 -2.588 1.00 0.00 H new ATOM 757 N LEU A 791 -19.088 -8.747 -2.126 1.00 0.00 N ATOM 758 CA LEU A 791 -18.491 -8.095 -0.966 1.00 0.00 C ATOM 759 C LEU A 791 -17.326 -8.915 -0.420 1.00 0.00 C ATOM 760 O LEU A 791 -17.057 -8.905 0.781 1.00 0.00 O ATOM 761 CB LEU A 791 -19.542 -7.891 0.126 1.00 0.00 C ATOM 762 CG LEU A 791 -20.772 -7.073 -0.270 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.734 -6.953 0.902 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.359 -5.695 -0.767 1.00 0.00 C ATOM 0 H LEU A 791 -19.116 -8.170 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 791 -18.111 -7.123 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.877 -8.870 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -19.064 -7.403 0.976 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.283 -7.592 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.603 -6.368 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.056 -7.947 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.234 -6.458 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.247 -5.127 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -19.824 -5.169 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.710 -5.801 -1.636 1.00 0.00 H new ATOM 776 N SER A 792 -16.638 -9.621 -1.311 1.00 0.00 N ATOM 777 CA SER A 792 -15.502 -10.448 -0.918 1.00 0.00 C ATOM 778 C SER A 792 -14.267 -10.101 -1.742 1.00 0.00 C ATOM 779 O SER A 792 -14.319 -10.059 -2.972 1.00 0.00 O ATOM 780 CB SER A 792 -15.842 -11.930 -1.086 1.00 0.00 C ATOM 781 OG SER A 792 -16.998 -12.276 -0.343 1.00 0.00 O ATOM 0 H SER A 792 -16.847 -9.637 -2.309 1.00 0.00 H new ATOM 0 HA SER A 792 -15.284 -10.249 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 792 -16.004 -12.152 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 792 -15.000 -12.539 -0.758 1.00 0.00 H new ATOM 0 HG SER A 792 -17.768 -11.773 -0.682 1.00 0.00 H new ATOM 787 N TRP A 793 -13.157 -9.852 -1.057 1.00 0.00 N ATOM 788 CA TRP A 793 -11.907 -9.508 -1.725 1.00 0.00 C ATOM 789 C TRP A 793 -11.469 -10.623 -2.668 1.00 0.00 C ATOM 790 O TRP A 793 -11.555 -11.803 -2.331 1.00 0.00 O ATOM 791 CB TRP A 793 -10.811 -9.236 -0.693 1.00 0.00 C ATOM 792 CG TRP A 793 -11.071 -8.021 0.144 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.472 -7.996 1.450 1.00 0.00 C ATOM 794 CD2 TRP A 793 -10.951 -6.655 -0.267 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.608 -6.696 1.875 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.294 -5.855 0.840 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.586 -6.030 -1.462 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.282 -4.463 0.785 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.575 -4.649 -1.516 1.00 0.00 C ATOM 800 CH2 TRP A 793 -10.921 -3.878 -0.398 1.00 0.00 C ATOM 0 H TRP A 793 -13.097 -9.882 -0.039 1.00 0.00 H new ATOM 0 HA TRP A 793 -12.075 -8.605 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.713 -10.104 -0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.858 -9.116 -1.209 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.655 -8.869 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -11.896 -6.405 2.809 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.317 -6.616 -2.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -11.548 -3.867 1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.295 -4.156 -2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -10.902 -2.801 -0.472 1.00 0.00 H new ATOM 811 N SER A 794 -11.000 -10.241 -3.852 1.00 0.00 N ATOM 812 CA SER A 794 -10.552 -11.210 -4.845 1.00 0.00 C ATOM 813 C SER A 794 -9.617 -12.239 -4.217 1.00 0.00 C ATOM 814 O SER A 794 -9.680 -13.427 -4.536 1.00 0.00 O ATOM 815 CB SER A 794 -9.843 -10.498 -5.999 1.00 0.00 C ATOM 816 OG SER A 794 -9.662 -11.370 -7.102 1.00 0.00 O ATOM 0 H SER A 794 -10.921 -9.268 -4.147 1.00 0.00 H new ATOM 0 HA SER A 794 -11.429 -11.729 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 794 -10.426 -9.631 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.875 -10.127 -5.662 1.00 0.00 H new ATOM 0 HG SER A 794 -9.208 -10.891 -7.827 1.00 0.00 H new ATOM 822 N SER A 795 -8.751 -11.775 -3.323 1.00 0.00 N ATOM 823 CA SER A 795 -7.800 -12.653 -2.652 1.00 0.00 C ATOM 824 C SER A 795 -7.367 -12.064 -1.313 1.00 0.00 C ATOM 825 O SER A 795 -7.628 -10.896 -1.022 1.00 0.00 O ATOM 826 CB SER A 795 -6.575 -12.887 -3.539 1.00 0.00 C ATOM 827 OG SER A 795 -5.932 -11.664 -3.852 1.00 0.00 O ATOM 0 H SER A 795 -8.688 -10.795 -3.046 1.00 0.00 H new ATOM 0 HA SER A 795 -8.293 -13.607 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 795 -5.875 -13.550 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 795 -6.878 -13.388 -4.458 1.00 0.00 H new ATOM 0 HG SER A 795 -5.152 -11.840 -4.418 1.00 0.00 H new ATOM 833 N ASP A 796 -6.705 -12.881 -0.501 1.00 0.00 N ATOM 834 CA ASP A 796 -6.234 -12.442 0.808 1.00 0.00 C ATOM 835 C ASP A 796 -5.275 -11.263 0.673 1.00 0.00 C ATOM 836 O ASP A 796 -4.651 -11.055 -0.368 1.00 0.00 O ATOM 837 CB ASP A 796 -5.545 -13.595 1.539 1.00 0.00 C ATOM 838 CG ASP A 796 -4.792 -14.511 0.595 1.00 0.00 C ATOM 839 OD1 ASP A 796 -5.447 -15.320 -0.095 1.00 0.00 O ATOM 840 OD2 ASP A 796 -3.547 -14.420 0.546 1.00 0.00 O ATOM 0 H ASP A 796 -6.482 -13.851 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 796 -7.098 -12.119 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -4.853 -13.191 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -6.291 -14.173 2.084 1.00 0.00 H new ATOM 845 N PRO A 797 -5.155 -10.471 1.749 1.00 0.00 N ATOM 846 CA PRO A 797 -4.274 -9.300 1.775 1.00 0.00 C ATOM 847 C PRO A 797 -2.798 -9.683 1.771 1.00 0.00 C ATOM 848 O PRO A 797 -2.381 -10.650 2.410 1.00 0.00 O ATOM 849 CB PRO A 797 -4.643 -8.608 3.090 1.00 0.00 C ATOM 850 CG PRO A 797 -5.182 -9.697 3.953 1.00 0.00 C ATOM 851 CD PRO A 797 -5.868 -10.660 3.023 1.00 0.00 C ATOM 0 HA PRO A 797 -4.406 -8.672 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.773 -8.135 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.385 -7.825 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.382 -10.190 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.881 -9.301 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.789 -11.687 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.930 -10.437 2.926 1.00 0.00 H new ATOM 859 N PRO A 798 -1.987 -8.910 1.034 1.00 0.00 N ATOM 860 CA PRO A 798 -0.545 -9.149 0.930 1.00 0.00 C ATOM 861 C PRO A 798 0.189 -8.847 2.232 1.00 0.00 C ATOM 862 O PRO A 798 -0.434 -8.660 3.278 1.00 0.00 O ATOM 863 CB PRO A 798 -0.103 -8.180 -0.170 1.00 0.00 C ATOM 864 CG PRO A 798 -1.118 -7.090 -0.144 1.00 0.00 C ATOM 865 CD PRO A 798 -2.416 -7.741 0.247 1.00 0.00 C ATOM 0 HA PRO A 798 -0.320 -10.193 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 798 0.898 -7.794 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 798 -0.074 -8.671 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.840 -6.315 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -1.200 -6.610 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -3.042 -7.069 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.997 -8.036 -0.627 1.00 0.00 H new ATOM 873 N PHE A 799 1.515 -8.800 2.162 1.00 0.00 N ATOM 874 CA PHE A 799 2.333 -8.521 3.336 1.00 0.00 C ATOM 875 C PHE A 799 3.723 -8.042 2.928 1.00 0.00 C ATOM 876 O PHE A 799 4.090 -8.090 1.754 1.00 0.00 O ATOM 877 CB PHE A 799 2.448 -9.770 4.212 1.00 0.00 C ATOM 878 CG PHE A 799 2.695 -11.029 3.431 1.00 0.00 C ATOM 879 CD1 PHE A 799 1.638 -11.747 2.896 1.00 0.00 C ATOM 880 CD2 PHE A 799 3.985 -11.495 3.234 1.00 0.00 C ATOM 881 CE1 PHE A 799 1.862 -12.905 2.177 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.215 -12.653 2.515 1.00 0.00 C ATOM 883 CZ PHE A 799 3.152 -13.360 1.987 1.00 0.00 C ATOM 0 H PHE A 799 2.046 -8.952 1.304 1.00 0.00 H new ATOM 0 HA PHE A 799 1.848 -7.729 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.259 -9.630 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.531 -9.884 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 799 0.627 -11.397 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 799 4.820 -10.948 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.029 -13.454 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.225 -13.005 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.329 -14.266 1.427 1.00 0.00 H new ATOM 893 N CYS A 800 4.493 -7.579 3.907 1.00 0.00 N ATOM 894 CA CYS A 800 5.843 -7.089 3.653 1.00 0.00 C ATOM 895 C CYS A 800 6.884 -8.124 4.068 1.00 0.00 C ATOM 896 O CYS A 800 6.693 -8.856 5.038 1.00 0.00 O ATOM 897 CB CYS A 800 6.083 -5.779 4.405 1.00 0.00 C ATOM 898 SG CYS A 800 4.720 -4.578 4.261 1.00 0.00 S ATOM 0 H CYS A 800 4.205 -7.533 4.884 1.00 0.00 H new ATOM 0 HA CYS A 800 5.942 -6.909 2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.246 -6.002 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 800 6.998 -5.320 4.031 1.00 0.00 H new ATOM 903 N GLU A 801 7.986 -8.178 3.326 1.00 0.00 N ATOM 904 CA GLU A 801 9.057 -9.124 3.617 1.00 0.00 C ATOM 905 C GLU A 801 10.415 -8.542 3.235 1.00 0.00 C ATOM 906 O GLU A 801 10.580 -7.977 2.154 1.00 0.00 O ATOM 907 CB GLU A 801 8.824 -10.438 2.868 1.00 0.00 C ATOM 908 CG GLU A 801 9.600 -11.611 3.443 1.00 0.00 C ATOM 909 CD GLU A 801 8.885 -12.271 4.605 1.00 0.00 C ATOM 910 OE1 GLU A 801 7.809 -12.865 4.381 1.00 0.00 O ATOM 911 OE2 GLU A 801 9.401 -12.193 5.740 1.00 0.00 O ATOM 0 H GLU A 801 8.160 -7.578 2.520 1.00 0.00 H new ATOM 0 HA GLU A 801 9.053 -9.320 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.760 -10.673 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.103 -10.305 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.769 -12.349 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 801 10.580 -11.266 3.773 1.00 0.00 H new ATOM 918 N LYS A 802 11.386 -8.685 4.131 1.00 0.00 N ATOM 919 CA LYS A 802 12.731 -8.175 3.890 1.00 0.00 C ATOM 920 C LYS A 802 13.422 -8.966 2.784 1.00 0.00 C ATOM 921 O LYS A 802 13.493 -10.194 2.835 1.00 0.00 O ATOM 922 CB LYS A 802 13.561 -8.241 5.174 1.00 0.00 C ATOM 923 CG LYS A 802 14.944 -7.629 5.036 1.00 0.00 C ATOM 924 CD LYS A 802 15.514 -7.229 6.387 1.00 0.00 C ATOM 925 CE LYS A 802 16.047 -8.435 7.146 1.00 0.00 C ATOM 926 NZ LYS A 802 17.344 -8.911 6.592 1.00 0.00 N ATOM 0 H LYS A 802 11.267 -9.150 5.031 1.00 0.00 H new ATOM 0 HA LYS A 802 12.648 -7.136 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.023 -7.727 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.663 -9.283 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.613 -8.343 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.893 -6.754 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 802 16.315 -6.504 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 802 14.741 -6.738 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 802 16.175 -8.175 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 802 15.316 -9.242 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 17.756 -9.619 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 17.186 -9.340 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 17.997 -8.107 6.498 1.00 0.00 H new