USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 275 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 NoAdj-H: A 776 HIS HE2 : A 776 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 780 HIS HE2 : A 780 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 770 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 772 CYS SG : rot 180:sc= 0 USER MOD Single : A 749 SER OG : rot 38:sc= 0.553 USER MOD Single : A 750 SER OG : rot 180:sc= -0.1 USER MOD Single : A 752 SER OG : rot 24:sc= 0.427 USER MOD Single : A 753 SER OG : rot 180:sc= 0 USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 180:sc= 0 USER MOD Single : A 769 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 771 SER OG : rot 44:sc= 0.661 USER MOD Single : A 774 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 787 SER OG : rot 46:sc= 0.0436 USER MOD Single : A 788 SER OG : rot 180:sc= -0.0328 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 2.346 4.633 -27.729 1.00 0.00 N ATOM 2 CA GLY A 748 2.521 6.035 -27.397 1.00 0.00 C ATOM 3 C GLY A 748 2.201 6.332 -25.945 1.00 0.00 C ATOM 4 O GLY A 748 1.231 7.027 -25.646 1.00 0.00 O ATOM 0 HA2 GLY A 748 3.549 6.329 -27.607 1.00 0.00 H new ATOM 0 HA3 GLY A 748 1.880 6.640 -28.038 1.00 0.00 H new ATOM 8 N SER A 749 3.018 5.801 -25.041 1.00 0.00 N ATOM 9 CA SER A 749 2.814 6.008 -23.612 1.00 0.00 C ATOM 10 C SER A 749 3.774 7.065 -23.073 1.00 0.00 C ATOM 11 O SER A 749 4.981 6.838 -22.991 1.00 0.00 O ATOM 12 CB SER A 749 3.005 4.694 -22.852 1.00 0.00 C ATOM 13 OG SER A 749 4.295 4.155 -23.083 1.00 0.00 O ATOM 0 H SER A 749 3.827 5.225 -25.273 1.00 0.00 H new ATOM 0 HA SER A 749 1.793 6.360 -23.463 1.00 0.00 H new ATOM 0 HB2 SER A 749 2.864 4.864 -21.785 1.00 0.00 H new ATOM 0 HB3 SER A 749 2.246 3.976 -23.164 1.00 0.00 H new ATOM 0 HG SER A 749 4.950 4.882 -23.130 1.00 0.00 H new ATOM 19 N SER A 750 3.228 8.220 -22.707 1.00 0.00 N ATOM 20 CA SER A 750 4.035 9.314 -22.180 1.00 0.00 C ATOM 21 C SER A 750 4.313 9.116 -20.693 1.00 0.00 C ATOM 22 O SER A 750 5.425 9.350 -20.221 1.00 0.00 O ATOM 23 CB SER A 750 3.329 10.652 -22.405 1.00 0.00 C ATOM 24 OG SER A 750 2.423 10.934 -21.352 1.00 0.00 O ATOM 0 H SER A 750 2.230 8.422 -22.766 1.00 0.00 H new ATOM 0 HA SER A 750 4.986 9.320 -22.712 1.00 0.00 H new ATOM 0 HB2 SER A 750 4.069 11.450 -22.476 1.00 0.00 H new ATOM 0 HB3 SER A 750 2.793 10.629 -23.354 1.00 0.00 H new ATOM 0 HG SER A 750 1.986 11.795 -21.518 1.00 0.00 H new ATOM 30 N GLY A 751 3.292 8.683 -19.959 1.00 0.00 N ATOM 31 CA GLY A 751 3.445 8.461 -18.533 1.00 0.00 C ATOM 32 C GLY A 751 4.492 7.411 -18.219 1.00 0.00 C ATOM 33 O GLY A 751 4.377 6.263 -18.647 1.00 0.00 O ATOM 0 H GLY A 751 2.362 8.482 -20.327 1.00 0.00 H new ATOM 0 HA2 GLY A 751 3.719 9.399 -18.050 1.00 0.00 H new ATOM 0 HA3 GLY A 751 2.488 8.153 -18.112 1.00 0.00 H new ATOM 37 N SER A 752 5.517 7.806 -17.470 1.00 0.00 N ATOM 38 CA SER A 752 6.592 6.891 -17.103 1.00 0.00 C ATOM 39 C SER A 752 7.240 7.314 -15.789 1.00 0.00 C ATOM 40 O SER A 752 7.537 8.491 -15.580 1.00 0.00 O ATOM 41 CB SER A 752 7.646 6.839 -18.211 1.00 0.00 C ATOM 42 OG SER A 752 7.254 5.955 -19.247 1.00 0.00 O ATOM 0 H SER A 752 5.626 8.753 -17.106 1.00 0.00 H new ATOM 0 HA SER A 752 6.162 5.898 -16.973 1.00 0.00 H new ATOM 0 HB2 SER A 752 7.798 7.838 -18.619 1.00 0.00 H new ATOM 0 HB3 SER A 752 8.600 6.516 -17.795 1.00 0.00 H new ATOM 0 HG SER A 752 6.278 5.866 -19.249 1.00 0.00 H new ATOM 48 N SER A 753 7.457 6.346 -14.904 1.00 0.00 N ATOM 49 CA SER A 753 8.066 6.617 -13.608 1.00 0.00 C ATOM 50 C SER A 753 9.432 7.275 -13.776 1.00 0.00 C ATOM 51 O SER A 753 10.376 6.656 -14.265 1.00 0.00 O ATOM 52 CB SER A 753 8.207 5.322 -12.806 1.00 0.00 C ATOM 53 OG SER A 753 9.067 5.501 -11.694 1.00 0.00 O ATOM 0 H SER A 753 7.220 5.367 -15.062 1.00 0.00 H new ATOM 0 HA SER A 753 7.416 7.303 -13.066 1.00 0.00 H new ATOM 0 HB2 SER A 753 7.226 4.995 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 753 8.598 4.533 -13.449 1.00 0.00 H new ATOM 0 HG SER A 753 9.139 4.659 -11.197 1.00 0.00 H new ATOM 59 N GLY A 754 9.529 8.536 -13.367 1.00 0.00 N ATOM 60 CA GLY A 754 10.783 9.259 -13.481 1.00 0.00 C ATOM 61 C GLY A 754 11.499 9.390 -12.151 1.00 0.00 C ATOM 62 O GLY A 754 12.726 9.467 -12.106 1.00 0.00 O ATOM 0 H GLY A 754 8.762 9.070 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 754 11.432 8.745 -14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 754 10.591 10.252 -13.886 1.00 0.00 H new ATOM 66 N GLU A 755 10.731 9.417 -11.067 1.00 0.00 N ATOM 67 CA GLU A 755 11.301 9.542 -9.731 1.00 0.00 C ATOM 68 C GLU A 755 10.631 8.573 -8.760 1.00 0.00 C ATOM 69 O GLU A 755 9.414 8.390 -8.789 1.00 0.00 O ATOM 70 CB GLU A 755 11.151 10.977 -9.221 1.00 0.00 C ATOM 71 CG GLU A 755 12.044 11.975 -9.940 1.00 0.00 C ATOM 72 CD GLU A 755 11.812 13.401 -9.481 1.00 0.00 C ATOM 73 OE1 GLU A 755 10.998 13.601 -8.555 1.00 0.00 O ATOM 74 OE2 GLU A 755 12.444 14.317 -10.047 1.00 0.00 O ATOM 0 H GLU A 755 9.713 9.354 -11.088 1.00 0.00 H new ATOM 0 HA GLU A 755 12.361 9.294 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 755 10.112 11.286 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 755 11.379 11.001 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 755 13.088 11.709 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 755 11.866 11.909 -11.013 1.00 0.00 H new ATOM 81 N LYS A 756 11.435 7.955 -7.902 1.00 0.00 N ATOM 82 CA LYS A 756 10.923 7.005 -6.921 1.00 0.00 C ATOM 83 C LYS A 756 11.970 6.708 -5.852 1.00 0.00 C ATOM 84 O LYS A 756 12.529 5.614 -5.784 1.00 0.00 O ATOM 85 CB LYS A 756 10.500 5.706 -7.611 1.00 0.00 C ATOM 86 CG LYS A 756 11.520 5.189 -8.611 1.00 0.00 C ATOM 87 CD LYS A 756 11.196 3.773 -9.056 1.00 0.00 C ATOM 88 CE LYS A 756 11.588 2.752 -7.999 1.00 0.00 C ATOM 89 NZ LYS A 756 11.898 1.425 -8.599 1.00 0.00 N ATOM 0 H LYS A 756 12.445 8.095 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 756 10.054 7.453 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 756 10.327 4.942 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 756 9.552 5.868 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 756 11.546 5.847 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 756 12.514 5.212 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 756 10.129 3.691 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 756 11.720 3.554 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 756 12.457 3.114 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 756 10.777 2.645 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 12.161 0.757 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 11.061 1.068 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 12.689 1.522 -9.267 1.00 0.00 H new ATOM 103 N PRO A 757 12.242 7.704 -4.996 1.00 0.00 N ATOM 104 CA PRO A 757 13.222 7.573 -3.914 1.00 0.00 C ATOM 105 C PRO A 757 12.713 6.695 -2.776 1.00 0.00 C ATOM 106 O PRO A 757 13.440 5.843 -2.263 1.00 0.00 O ATOM 107 CB PRO A 757 13.415 9.013 -3.433 1.00 0.00 C ATOM 108 CG PRO A 757 12.146 9.706 -3.792 1.00 0.00 C ATOM 109 CD PRO A 757 11.613 9.036 -5.019 1.00 0.00 C ATOM 0 HA PRO A 757 14.142 7.096 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 757 13.596 9.051 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 757 14.272 9.481 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 757 11.427 9.642 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 757 12.324 10.765 -3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 757 10.526 8.965 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 757 11.877 9.587 -5.922 1.00 0.00 H new ATOM 117 N TYR A 758 11.462 6.907 -2.385 1.00 0.00 N ATOM 118 CA TYR A 758 10.857 6.136 -1.305 1.00 0.00 C ATOM 119 C TYR A 758 9.601 5.418 -1.786 1.00 0.00 C ATOM 120 O TYR A 758 8.489 5.929 -1.653 1.00 0.00 O ATOM 121 CB TYR A 758 10.516 7.050 -0.127 1.00 0.00 C ATOM 122 CG TYR A 758 11.704 7.818 0.408 1.00 0.00 C ATOM 123 CD1 TYR A 758 12.592 7.231 1.300 1.00 0.00 C ATOM 124 CD2 TYR A 758 11.938 9.132 0.020 1.00 0.00 C ATOM 125 CE1 TYR A 758 13.678 7.929 1.792 1.00 0.00 C ATOM 126 CE2 TYR A 758 13.022 9.837 0.505 1.00 0.00 C ATOM 127 CZ TYR A 758 13.889 9.232 1.391 1.00 0.00 C ATOM 128 OH TYR A 758 14.970 9.930 1.877 1.00 0.00 O ATOM 0 H TYR A 758 10.846 7.607 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 758 11.579 5.387 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 758 9.747 7.757 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 758 10.091 6.449 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 758 12.431 6.211 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 758 11.261 9.610 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 758 14.358 7.457 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 758 13.190 10.857 0.192 1.00 0.00 H new ATOM 0 HH TYR A 758 14.975 10.833 1.495 1.00 0.00 H new ATOM 138 N VAL A 759 9.786 4.226 -2.346 1.00 0.00 N ATOM 139 CA VAL A 759 8.669 3.434 -2.846 1.00 0.00 C ATOM 140 C VAL A 759 8.760 1.991 -2.365 1.00 0.00 C ATOM 141 O VAL A 759 9.616 1.228 -2.814 1.00 0.00 O ATOM 142 CB VAL A 759 8.615 3.449 -4.385 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.445 2.616 -4.887 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.523 4.877 -4.901 1.00 0.00 C ATOM 0 H VAL A 759 10.700 3.788 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 759 7.759 3.887 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 759 9.535 3.007 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 759 7.423 2.639 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.559 1.586 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.513 3.025 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.486 4.869 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 759 7.621 5.347 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.397 5.440 -4.572 1.00 0.00 H new ATOM 154 N CYS A 760 7.871 1.621 -1.450 1.00 0.00 N ATOM 155 CA CYS A 760 7.849 0.268 -0.907 1.00 0.00 C ATOM 156 C CYS A 760 7.753 -0.766 -2.025 1.00 0.00 C ATOM 157 O CYS A 760 7.031 -0.571 -3.003 1.00 0.00 O ATOM 158 CB CYS A 760 6.674 0.102 0.058 1.00 0.00 C ATOM 159 SG CYS A 760 6.604 -1.527 0.872 1.00 0.00 S ATOM 0 H CYS A 760 7.155 2.240 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 760 8.781 0.106 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 760 6.734 0.876 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 760 5.744 0.264 -0.487 1.00 0.00 H new ATOM 164 N GLN A 761 8.486 -1.864 -1.873 1.00 0.00 N ATOM 165 CA GLN A 761 8.483 -2.928 -2.870 1.00 0.00 C ATOM 166 C GLN A 761 7.811 -4.184 -2.325 1.00 0.00 C ATOM 167 O GLN A 761 7.264 -4.984 -3.083 1.00 0.00 O ATOM 168 CB GLN A 761 9.913 -3.250 -3.307 1.00 0.00 C ATOM 169 CG GLN A 761 10.856 -3.528 -2.147 1.00 0.00 C ATOM 170 CD GLN A 761 11.450 -2.262 -1.561 1.00 0.00 C ATOM 171 OE1 GLN A 761 11.528 -1.232 -2.230 1.00 0.00 O ATOM 172 NE2 GLN A 761 11.872 -2.333 -0.304 1.00 0.00 N ATOM 0 H GLN A 761 9.089 -2.040 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 761 7.916 -2.580 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 761 9.896 -4.118 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.303 -2.415 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 761 10.318 -4.067 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 761 11.661 -4.179 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 761 11.788 -3.208 0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.280 -1.513 0.144 1.00 0.00 H new ATOM 181 N GLU A 762 7.856 -4.348 -1.007 1.00 0.00 N ATOM 182 CA GLU A 762 7.252 -5.508 -0.361 1.00 0.00 C ATOM 183 C GLU A 762 5.789 -5.658 -0.771 1.00 0.00 C ATOM 184 O GLU A 762 5.387 -6.688 -1.313 1.00 0.00 O ATOM 185 CB GLU A 762 7.357 -5.385 1.160 1.00 0.00 C ATOM 186 CG GLU A 762 8.743 -5.692 1.702 1.00 0.00 C ATOM 187 CD GLU A 762 9.686 -4.510 1.592 1.00 0.00 C ATOM 188 OE1 GLU A 762 9.223 -3.412 1.218 1.00 0.00 O ATOM 189 OE2 GLU A 762 10.889 -4.683 1.879 1.00 0.00 O ATOM 0 H GLU A 762 8.304 -3.693 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 762 7.795 -6.396 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 762 7.077 -4.374 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.638 -6.062 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 762 8.662 -5.992 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 762 9.162 -6.539 1.159 1.00 0.00 H new ATOM 196 N CYS A 763 4.998 -4.624 -0.507 1.00 0.00 N ATOM 197 CA CYS A 763 3.580 -4.639 -0.847 1.00 0.00 C ATOM 198 C CYS A 763 3.278 -3.647 -1.966 1.00 0.00 C ATOM 199 O CYS A 763 2.321 -3.817 -2.719 1.00 0.00 O ATOM 200 CB CYS A 763 2.736 -4.307 0.386 1.00 0.00 C ATOM 201 SG CYS A 763 2.884 -2.579 0.945 1.00 0.00 S ATOM 0 H CYS A 763 5.315 -3.764 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 763 3.326 -5.640 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.690 -4.518 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 763 3.028 -4.968 1.202 1.00 0.00 H new ATOM 206 N GLY A 764 4.104 -2.609 -2.069 1.00 0.00 N ATOM 207 CA GLY A 764 3.909 -1.605 -3.098 1.00 0.00 C ATOM 208 C GLY A 764 3.168 -0.386 -2.586 1.00 0.00 C ATOM 209 O GLY A 764 1.951 -0.419 -2.407 1.00 0.00 O ATOM 0 H GLY A 764 4.904 -2.446 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.879 -1.299 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 764 3.353 -2.042 -3.927 1.00 0.00 H new ATOM 213 N LYS A 765 3.904 0.695 -2.348 1.00 0.00 N ATOM 214 CA LYS A 765 3.311 1.931 -1.853 1.00 0.00 C ATOM 215 C LYS A 765 4.340 3.057 -1.832 1.00 0.00 C ATOM 216 O LYS A 765 5.373 2.955 -1.171 1.00 0.00 O ATOM 217 CB LYS A 765 2.741 1.720 -0.448 1.00 0.00 C ATOM 218 CG LYS A 765 1.879 2.873 0.037 1.00 0.00 C ATOM 219 CD LYS A 765 0.441 2.730 -0.434 1.00 0.00 C ATOM 220 CE LYS A 765 -0.323 4.038 -0.296 1.00 0.00 C ATOM 221 NZ LYS A 765 -0.678 4.327 1.120 1.00 0.00 N ATOM 0 H LYS A 765 4.913 0.739 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 765 2.503 2.213 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.148 0.805 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 765 3.564 1.574 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 765 1.904 2.914 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 765 2.290 3.814 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 765 0.428 2.408 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 765 -0.057 1.953 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 765 0.280 4.854 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.232 3.993 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -1.198 5.227 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.275 3.561 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 0.190 4.396 1.688 1.00 0.00 H new ATOM 235 N ALA A 766 4.049 4.132 -2.558 1.00 0.00 N ATOM 236 CA ALA A 766 4.947 5.278 -2.620 1.00 0.00 C ATOM 237 C ALA A 766 4.522 6.361 -1.634 1.00 0.00 C ATOM 238 O ALA A 766 3.413 6.330 -1.101 1.00 0.00 O ATOM 239 CB ALA A 766 4.993 5.837 -4.034 1.00 0.00 C ATOM 0 H ALA A 766 3.198 4.233 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 766 5.946 4.942 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.668 6.693 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.351 5.067 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 766 3.993 6.152 -4.333 1.00 0.00 H new ATOM 245 N PHE A 767 5.412 7.319 -1.395 1.00 0.00 N ATOM 246 CA PHE A 767 5.130 8.411 -0.471 1.00 0.00 C ATOM 247 C PHE A 767 5.820 9.696 -0.921 1.00 0.00 C ATOM 248 O PHE A 767 7.037 9.731 -1.102 1.00 0.00 O ATOM 249 CB PHE A 767 5.585 8.043 0.942 1.00 0.00 C ATOM 250 CG PHE A 767 5.102 6.695 1.395 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.782 6.508 1.772 1.00 0.00 C ATOM 252 CD2 PHE A 767 5.969 5.615 1.444 1.00 0.00 C ATOM 253 CE1 PHE A 767 3.336 5.269 2.190 1.00 0.00 C ATOM 254 CE2 PHE A 767 5.528 4.373 1.861 1.00 0.00 C ATOM 255 CZ PHE A 767 4.209 4.199 2.233 1.00 0.00 C ATOM 0 H PHE A 767 6.334 7.361 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 767 4.053 8.580 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.674 8.062 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 767 5.228 8.801 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 767 3.094 7.340 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 767 7.001 5.745 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 767 2.305 5.137 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 767 6.214 3.540 1.896 1.00 0.00 H new ATOM 0 HZ PHE A 767 3.861 3.229 2.557 1.00 0.00 H new ATOM 265 N THR A 768 5.032 10.752 -1.101 1.00 0.00 N ATOM 266 CA THR A 768 5.565 12.038 -1.532 1.00 0.00 C ATOM 267 C THR A 768 5.464 13.076 -0.419 1.00 0.00 C ATOM 268 O THR A 768 6.258 14.013 -0.359 1.00 0.00 O ATOM 269 CB THR A 768 4.826 12.564 -2.777 1.00 0.00 C ATOM 270 OG1 THR A 768 3.411 12.470 -2.583 1.00 0.00 O ATOM 271 CG2 THR A 768 5.227 11.777 -4.016 1.00 0.00 C ATOM 0 H THR A 768 4.023 10.741 -0.955 1.00 0.00 H new ATOM 0 HA THR A 768 6.614 11.877 -1.782 1.00 0.00 H new ATOM 0 HB THR A 768 5.103 13.608 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 768 2.949 12.808 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 768 4.693 12.166 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 768 6.301 11.875 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 768 4.975 10.726 -3.876 1.00 0.00 H new ATOM 279 N GLN A 769 4.482 12.900 0.460 1.00 0.00 N ATOM 280 CA GLN A 769 4.278 13.822 1.571 1.00 0.00 C ATOM 281 C GLN A 769 5.464 13.792 2.528 1.00 0.00 C ATOM 282 O GLN A 769 6.194 14.775 2.660 1.00 0.00 O ATOM 283 CB GLN A 769 2.992 13.473 2.322 1.00 0.00 C ATOM 284 CG GLN A 769 2.531 14.560 3.279 1.00 0.00 C ATOM 285 CD GLN A 769 1.795 15.683 2.575 1.00 0.00 C ATOM 286 OE1 GLN A 769 2.300 16.801 2.469 1.00 0.00 O ATOM 287 NE2 GLN A 769 0.594 15.391 2.089 1.00 0.00 N ATOM 0 H GLN A 769 3.816 12.128 0.424 1.00 0.00 H new ATOM 0 HA GLN A 769 4.190 14.829 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 769 2.200 13.278 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 769 3.147 12.550 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 769 1.879 14.121 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 769 3.395 14.969 3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 769 0.214 14.451 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 769 0.052 16.107 1.605 1.00 0.00 H new ATOM 296 N SER A 770 5.651 12.657 3.195 1.00 0.00 N ATOM 297 CA SER A 770 6.747 12.500 4.145 1.00 0.00 C ATOM 298 C SER A 770 7.357 11.106 4.044 1.00 0.00 C ATOM 299 O SER A 770 6.833 10.236 3.349 1.00 0.00 O ATOM 300 CB SER A 770 6.254 12.752 5.571 1.00 0.00 C ATOM 301 OG SER A 770 5.202 11.866 5.911 1.00 0.00 O ATOM 0 H SER A 770 5.058 11.833 3.095 1.00 0.00 H new ATOM 0 HA SER A 770 7.516 13.233 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 770 7.079 12.627 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 770 5.910 13.782 5.664 1.00 0.00 H new ATOM 0 HG SER A 770 4.906 12.046 6.828 1.00 0.00 H new ATOM 307 N SER A 771 8.468 10.901 4.745 1.00 0.00 N ATOM 308 CA SER A 771 9.153 9.613 4.732 1.00 0.00 C ATOM 309 C SER A 771 8.365 8.572 5.521 1.00 0.00 C ATOM 310 O SER A 771 8.649 8.319 6.693 1.00 0.00 O ATOM 311 CB SER A 771 10.560 9.755 5.316 1.00 0.00 C ATOM 312 OG SER A 771 10.515 10.262 6.638 1.00 0.00 O ATOM 0 H SER A 771 8.913 11.610 5.329 1.00 0.00 H new ATOM 0 HA SER A 771 9.229 9.279 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 771 11.058 8.786 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 771 11.152 10.421 4.688 1.00 0.00 H new ATOM 0 HG SER A 771 9.809 9.804 7.140 1.00 0.00 H new ATOM 318 N CYS A 772 7.376 7.971 4.870 1.00 0.00 N ATOM 319 CA CYS A 772 6.545 6.956 5.510 1.00 0.00 C ATOM 320 C CYS A 772 7.107 5.560 5.264 1.00 0.00 C ATOM 321 O CYS A 772 6.883 4.641 6.053 1.00 0.00 O ATOM 322 CB CYS A 772 5.109 7.040 4.989 1.00 0.00 C ATOM 323 SG CYS A 772 4.054 8.179 5.916 1.00 0.00 S ATOM 0 H CYS A 772 7.129 8.168 3.900 1.00 0.00 H new ATOM 0 HA CYS A 772 6.546 7.145 6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 772 5.130 7.350 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 772 4.665 6.045 5.017 1.00 0.00 H new ATOM 0 HG CYS A 772 2.861 8.183 5.400 1.00 0.00 H new ATOM 329 N LEU A 773 7.837 5.406 4.165 1.00 0.00 N ATOM 330 CA LEU A 773 8.430 4.121 3.813 1.00 0.00 C ATOM 331 C LEU A 773 9.230 3.553 4.981 1.00 0.00 C ATOM 332 O LEU A 773 9.311 2.337 5.158 1.00 0.00 O ATOM 333 CB LEU A 773 9.333 4.272 2.588 1.00 0.00 C ATOM 334 CG LEU A 773 10.153 3.040 2.202 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.239 1.909 1.754 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.153 3.385 1.108 1.00 0.00 C ATOM 0 H LEU A 773 8.033 6.156 3.502 1.00 0.00 H new ATOM 0 HA LEU A 773 7.622 3.428 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 773 8.713 4.552 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.020 5.099 2.768 1.00 0.00 H new ATOM 0 HG LEU A 773 10.706 2.707 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.840 1.041 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.563 1.643 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.658 2.231 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.727 2.496 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.620 3.744 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 773 11.829 4.162 1.465 1.00 0.00 H new ATOM 348 N SER A 774 9.817 4.440 5.777 1.00 0.00 N ATOM 349 CA SER A 774 10.612 4.028 6.928 1.00 0.00 C ATOM 350 C SER A 774 9.789 3.157 7.872 1.00 0.00 C ATOM 351 O SER A 774 9.986 1.943 7.946 1.00 0.00 O ATOM 352 CB SER A 774 11.139 5.253 7.676 1.00 0.00 C ATOM 353 OG SER A 774 11.577 4.906 8.979 1.00 0.00 O ATOM 0 H SER A 774 9.757 5.450 5.646 1.00 0.00 H new ATOM 0 HA SER A 774 11.457 3.443 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 774 11.963 5.697 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 774 10.355 6.008 7.741 1.00 0.00 H new ATOM 0 HG SER A 774 11.911 5.706 9.436 1.00 0.00 H new ATOM 359 N ILE A 775 8.865 3.785 8.592 1.00 0.00 N ATOM 360 CA ILE A 775 8.011 3.068 9.531 1.00 0.00 C ATOM 361 C ILE A 775 7.159 2.026 8.814 1.00 0.00 C ATOM 362 O ILE A 775 6.765 1.019 9.402 1.00 0.00 O ATOM 363 CB ILE A 775 7.087 4.031 10.300 1.00 0.00 C ATOM 364 CG1 ILE A 775 7.914 5.080 11.045 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.205 3.258 11.269 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.096 6.249 11.547 1.00 0.00 C ATOM 0 H ILE A 775 8.689 4.788 8.543 1.00 0.00 H new ATOM 0 HA ILE A 775 8.671 2.568 10.240 1.00 0.00 H new ATOM 0 HB ILE A 775 6.444 4.544 9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.411 4.605 11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 775 8.696 5.452 10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.558 3.952 11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.593 2.546 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.831 2.722 11.982 1.00 0.00 H new ATOM 0 HD11 ILE A 775 7.747 6.953 12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 775 6.620 6.749 10.703 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.331 5.889 12.235 1.00 0.00 H new ATOM 378 N HIS A 776 6.879 2.275 7.539 1.00 0.00 N ATOM 379 CA HIS A 776 6.075 1.358 6.739 1.00 0.00 C ATOM 380 C HIS A 776 6.810 0.039 6.522 1.00 0.00 C ATOM 381 O HIS A 776 6.194 -1.025 6.463 1.00 0.00 O ATOM 382 CB HIS A 776 5.729 1.991 5.391 1.00 0.00 C ATOM 383 CG HIS A 776 4.956 1.084 4.484 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.638 0.743 4.705 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.322 0.447 3.347 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.228 -0.065 3.744 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.230 -0.260 2.907 1.00 0.00 N ATOM 0 H HIS A 776 7.197 3.104 7.037 1.00 0.00 H new ATOM 0 HA HIS A 776 5.152 1.154 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.150 2.899 5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.651 2.290 4.892 1.00 0.00 H new ATOM 0 HD1 HIS A 776 3.069 1.065 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.292 0.487 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.240 -0.494 3.658 1.00 0.00 H new ATOM 395 N ARG A 777 8.132 0.117 6.402 1.00 0.00 N ATOM 396 CA ARG A 777 8.951 -1.070 6.188 1.00 0.00 C ATOM 397 C ARG A 777 9.080 -1.880 7.475 1.00 0.00 C ATOM 398 O ARG A 777 9.259 -3.097 7.438 1.00 0.00 O ATOM 399 CB ARG A 777 10.339 -0.673 5.682 1.00 0.00 C ATOM 400 CG ARG A 777 10.564 -0.990 4.212 1.00 0.00 C ATOM 401 CD ARG A 777 11.669 -0.129 3.620 1.00 0.00 C ATOM 402 NE ARG A 777 12.579 -0.905 2.783 1.00 0.00 N ATOM 403 CZ ARG A 777 13.442 -1.794 3.264 1.00 0.00 C ATOM 404 NH1 ARG A 777 13.511 -2.017 4.569 1.00 0.00 N ATOM 405 NH2 ARG A 777 14.238 -2.461 2.438 1.00 0.00 N ATOM 0 H ARG A 777 8.658 0.990 6.449 1.00 0.00 H new ATOM 0 HA ARG A 777 8.461 -1.689 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.483 0.396 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 777 11.094 -1.188 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.823 -2.043 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 777 9.639 -0.829 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.226 0.672 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.231 0.343 4.426 1.00 0.00 H new ATOM 0 HE ARG A 777 12.551 -0.757 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 777 12.901 -1.506 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 777 14.174 -2.700 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 777 14.188 -2.292 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 777 14.900 -3.143 2.808 1.00 0.00 H new ATOM 419 N ARG A 778 8.987 -1.196 8.610 1.00 0.00 N ATOM 420 CA ARG A 778 9.095 -1.852 9.908 1.00 0.00 C ATOM 421 C ARG A 778 7.834 -2.654 10.219 1.00 0.00 C ATOM 422 O ARG A 778 7.876 -3.630 10.967 1.00 0.00 O ATOM 423 CB ARG A 778 9.338 -0.817 11.008 1.00 0.00 C ATOM 424 CG ARG A 778 10.392 0.218 10.648 1.00 0.00 C ATOM 425 CD ARG A 778 11.042 0.806 11.891 1.00 0.00 C ATOM 426 NE ARG A 778 10.123 1.662 12.636 1.00 0.00 N ATOM 427 CZ ARG A 778 10.453 2.295 13.756 1.00 0.00 C ATOM 428 NH1 ARG A 778 11.674 2.169 14.258 1.00 0.00 N ATOM 429 NH2 ARG A 778 9.561 3.057 14.377 1.00 0.00 N ATOM 0 H ARG A 778 8.837 -0.188 8.658 1.00 0.00 H new ATOM 0 HA ARG A 778 9.941 -2.538 9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 778 8.400 -0.307 11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.643 -1.332 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 778 11.155 -0.241 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.935 1.016 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.388 -0.002 12.536 1.00 0.00 H new ATOM 0 HD3 ARG A 778 11.921 1.382 11.602 1.00 0.00 H new ATOM 0 HE ARG A 778 9.176 1.780 12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.363 1.585 13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 778 11.925 2.656 15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 778 8.621 3.157 13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 778 9.816 3.543 15.237 1.00 0.00 H new ATOM 443 N VAL A 779 6.714 -2.234 9.639 1.00 0.00 N ATOM 444 CA VAL A 779 5.442 -2.912 9.853 1.00 0.00 C ATOM 445 C VAL A 779 5.178 -3.943 8.761 1.00 0.00 C ATOM 446 O VAL A 779 4.075 -4.020 8.219 1.00 0.00 O ATOM 447 CB VAL A 779 4.272 -1.911 9.892 1.00 0.00 C ATOM 448 CG1 VAL A 779 4.398 -0.989 11.095 1.00 0.00 C ATOM 449 CG2 VAL A 779 4.212 -1.111 8.600 1.00 0.00 C ATOM 0 H VAL A 779 6.662 -1.427 9.017 1.00 0.00 H new ATOM 0 HA VAL A 779 5.511 -3.417 10.817 1.00 0.00 H new ATOM 0 HB VAL A 779 3.341 -2.470 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 779 3.563 -0.289 11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 779 4.387 -1.581 12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 779 5.335 -0.435 11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 779 3.380 -0.409 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 779 5.144 -0.561 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 779 4.070 -1.789 7.759 1.00 0.00 H new ATOM 459 N HIS A 780 6.198 -4.734 8.442 1.00 0.00 N ATOM 460 CA HIS A 780 6.076 -5.762 7.415 1.00 0.00 C ATOM 461 C HIS A 780 6.674 -7.081 7.892 1.00 0.00 C ATOM 462 O HIS A 780 7.110 -7.906 7.088 1.00 0.00 O ATOM 463 CB HIS A 780 6.767 -5.311 6.128 1.00 0.00 C ATOM 464 CG HIS A 780 5.899 -4.470 5.244 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.557 -4.721 5.049 1.00 0.00 N ATOM 466 CD2 HIS A 780 6.187 -3.376 4.501 1.00 0.00 C ATOM 467 CE1 HIS A 780 4.057 -3.818 4.224 1.00 0.00 C ATOM 468 NE2 HIS A 780 5.026 -2.990 3.877 1.00 0.00 N ATOM 0 H HIS A 780 7.118 -4.682 8.880 1.00 0.00 H new ATOM 0 HA HIS A 780 5.016 -5.916 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.664 -4.747 6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.092 -6.191 5.573 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.032 -5.485 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 780 7.151 -2.896 4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.031 -3.766 3.890 1.00 0.00 H new ATOM 476 N THR A 781 6.694 -7.275 9.207 1.00 0.00 N ATOM 477 CA THR A 781 7.241 -8.493 9.793 1.00 0.00 C ATOM 478 C THR A 781 6.183 -9.240 10.596 1.00 0.00 C ATOM 479 O THR A 781 6.164 -10.469 10.624 1.00 0.00 O ATOM 480 CB THR A 781 8.442 -8.186 10.707 1.00 0.00 C ATOM 481 OG1 THR A 781 8.288 -6.893 11.302 1.00 0.00 O ATOM 482 CG2 THR A 781 9.745 -8.238 9.924 1.00 0.00 C ATOM 0 H THR A 781 6.337 -6.604 9.887 1.00 0.00 H new ATOM 0 HA THR A 781 7.574 -9.120 8.966 1.00 0.00 H new ATOM 0 HB THR A 781 8.477 -8.943 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 781 9.055 -6.707 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 781 10.579 -8.018 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 781 9.874 -9.233 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 781 9.717 -7.500 9.122 1.00 0.00 H new ATOM 490 N GLY A 782 5.302 -8.488 11.249 1.00 0.00 N ATOM 491 CA GLY A 782 4.252 -9.097 12.044 1.00 0.00 C ATOM 492 C GLY A 782 3.301 -9.931 11.208 1.00 0.00 C ATOM 493 O GLY A 782 3.566 -10.198 10.037 1.00 0.00 O ATOM 0 H GLY A 782 5.297 -7.468 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 782 4.701 -9.725 12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 782 3.690 -8.317 12.558 1.00 0.00 H new ATOM 497 N GLU A 783 2.190 -10.343 11.812 1.00 0.00 N ATOM 498 CA GLU A 783 1.199 -11.153 11.115 1.00 0.00 C ATOM 499 C GLU A 783 1.831 -12.423 10.553 1.00 0.00 C ATOM 500 O GLU A 783 1.373 -12.965 9.547 1.00 0.00 O ATOM 501 CB GLU A 783 0.554 -10.348 9.984 1.00 0.00 C ATOM 502 CG GLU A 783 -0.792 -10.896 9.539 1.00 0.00 C ATOM 503 CD GLU A 783 -1.344 -10.171 8.326 1.00 0.00 C ATOM 504 OE1 GLU A 783 -0.706 -10.235 7.255 1.00 0.00 O ATOM 505 OE2 GLU A 783 -2.415 -9.541 8.449 1.00 0.00 O ATOM 0 H GLU A 783 1.955 -10.129 12.781 1.00 0.00 H new ATOM 0 HA GLU A 783 0.430 -11.438 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 783 0.427 -9.316 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 783 1.231 -10.331 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 783 -0.690 -11.957 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 783 -1.503 -10.815 10.361 1.00 0.00 H new ATOM 512 N SER A 784 2.887 -12.892 11.210 1.00 0.00 N ATOM 513 CA SER A 784 3.586 -14.095 10.775 1.00 0.00 C ATOM 514 C SER A 784 3.188 -15.294 11.631 1.00 0.00 C ATOM 515 O SER A 784 3.769 -15.537 12.688 1.00 0.00 O ATOM 516 CB SER A 784 5.100 -13.885 10.844 1.00 0.00 C ATOM 517 OG SER A 784 5.795 -15.010 10.334 1.00 0.00 O ATOM 0 H SER A 784 3.277 -12.457 12.046 1.00 0.00 H new ATOM 0 HA SER A 784 3.301 -14.297 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 784 5.373 -12.996 10.275 1.00 0.00 H new ATOM 0 HB3 SER A 784 5.399 -13.707 11.877 1.00 0.00 H new ATOM 0 HG SER A 784 6.760 -14.850 10.388 1.00 0.00 H new ATOM 523 N GLY A 785 2.192 -16.042 11.165 1.00 0.00 N ATOM 524 CA GLY A 785 1.732 -17.206 11.899 1.00 0.00 C ATOM 525 C GLY A 785 2.216 -18.506 11.287 1.00 0.00 C ATOM 526 O GLY A 785 2.987 -18.515 10.327 1.00 0.00 O ATOM 0 H GLY A 785 1.696 -15.862 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 785 2.079 -17.142 12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 785 0.642 -17.206 11.929 1.00 0.00 H new ATOM 530 N PRO A 786 1.760 -19.635 11.849 1.00 0.00 N ATOM 531 CA PRO A 786 2.139 -20.967 11.369 1.00 0.00 C ATOM 532 C PRO A 786 1.468 -21.319 10.046 1.00 0.00 C ATOM 533 O PRO A 786 2.059 -21.987 9.197 1.00 0.00 O ATOM 534 CB PRO A 786 1.650 -21.898 12.481 1.00 0.00 C ATOM 535 CG PRO A 786 0.533 -21.156 13.131 1.00 0.00 C ATOM 536 CD PRO A 786 0.839 -19.698 12.996 1.00 0.00 C ATOM 0 HA PRO A 786 3.209 -21.040 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 786 1.310 -22.852 12.078 1.00 0.00 H new ATOM 0 HB3 PRO A 786 2.446 -22.118 13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 786 -0.418 -21.396 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 786 0.444 -21.436 14.181 1.00 0.00 H new ATOM 0 HD2 PRO A 786 -0.064 -19.115 12.816 1.00 0.00 H new ATOM 0 HD3 PRO A 786 1.299 -19.301 13.901 1.00 0.00 H new ATOM 544 N SER A 787 0.230 -20.866 9.876 1.00 0.00 N ATOM 545 CA SER A 787 -0.523 -21.137 8.657 1.00 0.00 C ATOM 546 C SER A 787 -0.025 -20.267 7.507 1.00 0.00 C ATOM 547 O SER A 787 -0.284 -19.064 7.466 1.00 0.00 O ATOM 548 CB SER A 787 -2.015 -20.890 8.889 1.00 0.00 C ATOM 549 OG SER A 787 -2.222 -19.761 9.721 1.00 0.00 O ATOM 0 H SER A 787 -0.273 -20.310 10.567 1.00 0.00 H new ATOM 0 HA SER A 787 -0.372 -22.183 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 787 -2.515 -20.737 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 787 -2.466 -21.771 9.347 1.00 0.00 H new ATOM 0 HG SER A 787 -1.657 -19.021 9.415 1.00 0.00 H new ATOM 555 N SER A 788 0.692 -20.885 6.574 1.00 0.00 N ATOM 556 CA SER A 788 1.230 -20.168 5.424 1.00 0.00 C ATOM 557 C SER A 788 1.373 -21.098 4.222 1.00 0.00 C ATOM 558 O SER A 788 1.900 -22.203 4.337 1.00 0.00 O ATOM 559 CB SER A 788 2.587 -19.552 5.770 1.00 0.00 C ATOM 560 OG SER A 788 2.475 -18.650 6.858 1.00 0.00 O ATOM 0 H SER A 788 0.914 -21.880 6.592 1.00 0.00 H new ATOM 0 HA SER A 788 0.532 -19.372 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 788 3.295 -20.342 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 788 2.985 -19.030 4.900 1.00 0.00 H new ATOM 0 HG SER A 788 3.356 -18.271 7.061 1.00 0.00 H new ATOM 566 N GLY A 789 0.898 -20.640 3.068 1.00 0.00 N ATOM 567 CA GLY A 789 0.981 -21.441 1.861 1.00 0.00 C ATOM 568 C GLY A 789 0.579 -20.667 0.622 1.00 0.00 C ATOM 569 O GLY A 789 1.108 -20.942 -0.454 1.00 0.00 O ATOM 0 H GLY A 789 0.457 -19.728 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 789 2.001 -21.808 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 789 0.338 -22.315 1.964 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.762 -2.028 2.080 1.00 0.00 ZN