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 Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 750 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 752 SER OG : rot 180:sc= 0.00349 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= 0 X(o=0,f=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 768 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 769 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.9) USER MOD Single : A 770 SER OG : rot 180:sc= 0 USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 772 CYS SG : rot -130:sc= 0.999 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 180:sc= 0 USER MOD Single : A 788 SER OG : rot 180:sc= 0.0483 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 748 5.142 9.174 -23.631 1.00 0.00 N ATOM 2 CA GLY A 748 3.834 9.530 -23.111 1.00 0.00 C ATOM 3 C GLY A 748 3.905 10.114 -21.714 1.00 0.00 C ATOM 4 O GLY A 748 3.575 9.444 -20.736 1.00 0.00 O ATOM 0 HA2 GLY A 748 3.365 10.252 -23.780 1.00 0.00 H new ATOM 0 HA3 GLY A 748 3.198 8.645 -23.100 1.00 0.00 H new ATOM 8 N SER A 749 4.339 11.367 -21.620 1.00 0.00 N ATOM 9 CA SER A 749 4.458 12.040 -20.331 1.00 0.00 C ATOM 10 C SER A 749 4.674 13.538 -20.519 1.00 0.00 C ATOM 11 O SER A 749 4.812 14.021 -21.643 1.00 0.00 O ATOM 12 CB SER A 749 5.613 11.443 -19.525 1.00 0.00 C ATOM 13 OG SER A 749 5.378 11.561 -18.133 1.00 0.00 O ATOM 0 H SER A 749 4.614 11.937 -22.420 1.00 0.00 H new ATOM 0 HA SER A 749 3.528 11.891 -19.783 1.00 0.00 H new ATOM 0 HB2 SER A 749 5.739 10.393 -19.788 1.00 0.00 H new ATOM 0 HB3 SER A 749 6.542 11.950 -19.784 1.00 0.00 H new ATOM 0 HG SER A 749 6.130 11.171 -17.640 1.00 0.00 H new ATOM 19 N SER A 750 4.702 14.269 -19.409 1.00 0.00 N ATOM 20 CA SER A 750 4.898 15.714 -19.450 1.00 0.00 C ATOM 21 C SER A 750 6.344 16.076 -19.125 1.00 0.00 C ATOM 22 O SER A 750 7.001 16.793 -19.878 1.00 0.00 O ATOM 23 CB SER A 750 3.953 16.406 -18.466 1.00 0.00 C ATOM 24 OG SER A 750 3.865 15.683 -17.250 1.00 0.00 O ATOM 0 H SER A 750 4.592 13.885 -18.471 1.00 0.00 H new ATOM 0 HA SER A 750 4.675 16.058 -20.460 1.00 0.00 H new ATOM 0 HB2 SER A 750 4.307 17.417 -18.267 1.00 0.00 H new ATOM 0 HB3 SER A 750 2.962 16.497 -18.911 1.00 0.00 H new ATOM 0 HG SER A 750 3.257 16.146 -16.637 1.00 0.00 H new ATOM 30 N GLY A 751 6.834 15.573 -17.995 1.00 0.00 N ATOM 31 CA GLY A 751 8.198 15.854 -17.589 1.00 0.00 C ATOM 32 C GLY A 751 8.567 15.170 -16.287 1.00 0.00 C ATOM 33 O GLY A 751 8.271 13.991 -16.091 1.00 0.00 O ATOM 0 H GLY A 751 6.310 14.976 -17.355 1.00 0.00 H new ATOM 0 HA2 GLY A 751 8.882 15.529 -18.373 1.00 0.00 H new ATOM 0 HA3 GLY A 751 8.327 16.931 -17.480 1.00 0.00 H new ATOM 37 N SER A 752 9.218 15.910 -15.395 1.00 0.00 N ATOM 38 CA SER A 752 9.633 15.366 -14.108 1.00 0.00 C ATOM 39 C SER A 752 8.773 15.925 -12.979 1.00 0.00 C ATOM 40 O SER A 752 9.248 16.126 -11.862 1.00 0.00 O ATOM 41 CB SER A 752 11.107 15.686 -13.847 1.00 0.00 C ATOM 42 OG SER A 752 11.432 16.992 -14.290 1.00 0.00 O ATOM 0 H SER A 752 9.469 16.888 -15.540 1.00 0.00 H new ATOM 0 HA SER A 752 9.503 14.284 -14.140 1.00 0.00 H new ATOM 0 HB2 SER A 752 11.318 15.597 -12.781 1.00 0.00 H new ATOM 0 HB3 SER A 752 11.736 14.958 -14.359 1.00 0.00 H new ATOM 0 HG SER A 752 12.378 17.172 -14.110 1.00 0.00 H new ATOM 48 N SER A 753 7.502 16.173 -13.280 1.00 0.00 N ATOM 49 CA SER A 753 6.574 16.712 -12.292 1.00 0.00 C ATOM 50 C SER A 753 6.163 15.638 -11.290 1.00 0.00 C ATOM 51 O SER A 753 5.374 14.748 -11.605 1.00 0.00 O ATOM 52 CB SER A 753 5.334 17.282 -12.984 1.00 0.00 C ATOM 53 OG SER A 753 4.491 17.944 -12.057 1.00 0.00 O ATOM 0 H SER A 753 7.092 16.009 -14.199 1.00 0.00 H new ATOM 0 HA SER A 753 7.080 17.512 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 753 5.638 17.978 -13.766 1.00 0.00 H new ATOM 0 HB3 SER A 753 4.783 16.477 -13.471 1.00 0.00 H new ATOM 0 HG SER A 753 3.707 18.300 -12.524 1.00 0.00 H new ATOM 59 N GLY A 754 6.704 15.729 -10.079 1.00 0.00 N ATOM 60 CA GLY A 754 6.383 14.759 -9.048 1.00 0.00 C ATOM 61 C GLY A 754 7.568 14.446 -8.157 1.00 0.00 C ATOM 62 O GLY A 754 8.653 14.998 -8.340 1.00 0.00 O ATOM 0 H GLY A 754 7.359 16.457 -9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 754 5.564 15.140 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 754 6.031 13.839 -9.516 1.00 0.00 H new ATOM 66 N GLU A 755 7.361 13.558 -7.189 1.00 0.00 N ATOM 67 CA GLU A 755 8.422 13.175 -6.265 1.00 0.00 C ATOM 68 C GLU A 755 8.172 11.781 -5.698 1.00 0.00 C ATOM 69 O GLU A 755 7.125 11.517 -5.105 1.00 0.00 O ATOM 70 CB GLU A 755 8.527 14.191 -5.125 1.00 0.00 C ATOM 71 CG GLU A 755 9.898 14.232 -4.472 1.00 0.00 C ATOM 72 CD GLU A 755 9.951 15.175 -3.286 1.00 0.00 C ATOM 73 OE1 GLU A 755 8.955 15.891 -3.051 1.00 0.00 O ATOM 74 OE2 GLU A 755 10.989 15.197 -2.591 1.00 0.00 O ATOM 0 H GLU A 755 6.469 13.091 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 755 9.362 13.161 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 755 8.287 15.182 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 755 7.780 13.953 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 755 10.171 13.228 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 755 10.639 14.540 -5.210 1.00 0.00 H new ATOM 81 N LYS A 756 9.141 10.890 -5.883 1.00 0.00 N ATOM 82 CA LYS A 756 9.028 9.523 -5.390 1.00 0.00 C ATOM 83 C LYS A 756 10.346 8.774 -5.558 1.00 0.00 C ATOM 84 O LYS A 756 10.462 7.844 -6.357 1.00 0.00 O ATOM 85 CB LYS A 756 7.911 8.783 -6.129 1.00 0.00 C ATOM 86 CG LYS A 756 7.960 8.957 -7.637 1.00 0.00 C ATOM 87 CD LYS A 756 6.985 8.025 -8.338 1.00 0.00 C ATOM 88 CE LYS A 756 7.397 7.769 -9.779 1.00 0.00 C ATOM 89 NZ LYS A 756 6.251 7.305 -10.609 1.00 0.00 N ATOM 0 H LYS A 756 10.014 11.091 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 756 8.787 9.565 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 756 7.972 7.721 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 756 6.948 9.137 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 756 7.725 9.990 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 756 8.971 8.762 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 756 6.934 7.079 -7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 756 5.985 8.459 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 756 7.809 8.683 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 756 8.189 7.021 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 6.573 7.141 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 5.874 6.419 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 5.505 8.030 -10.607 1.00 0.00 H new ATOM 103 N PRO A 757 11.364 9.185 -4.788 1.00 0.00 N ATOM 104 CA PRO A 757 12.692 8.565 -4.832 1.00 0.00 C ATOM 105 C PRO A 757 12.719 7.205 -4.143 1.00 0.00 C ATOM 106 O PRO A 757 13.546 6.352 -4.465 1.00 0.00 O ATOM 107 CB PRO A 757 13.575 9.564 -4.080 1.00 0.00 C ATOM 108 CG PRO A 757 12.644 10.275 -3.160 1.00 0.00 C ATOM 109 CD PRO A 757 11.297 10.287 -3.813 1.00 0.00 C ATOM 0 HA PRO A 757 13.019 8.372 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 757 14.366 9.056 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 757 14.060 10.258 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 757 12.599 9.771 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 757 12.990 11.292 -2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 757 10.500 10.129 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 757 11.099 11.241 -4.302 1.00 0.00 H new ATOM 117 N TYR A 758 11.811 7.010 -3.193 1.00 0.00 N ATOM 118 CA TYR A 758 11.733 5.753 -2.457 1.00 0.00 C ATOM 119 C TYR A 758 10.335 5.150 -2.556 1.00 0.00 C ATOM 120 O TYR A 758 9.332 5.852 -2.423 1.00 0.00 O ATOM 121 CB TYR A 758 12.103 5.974 -0.990 1.00 0.00 C ATOM 122 CG TYR A 758 13.588 6.131 -0.757 1.00 0.00 C ATOM 123 CD1 TYR A 758 14.200 7.374 -0.854 1.00 0.00 C ATOM 124 CD2 TYR A 758 14.381 5.035 -0.438 1.00 0.00 C ATOM 125 CE1 TYR A 758 15.557 7.522 -0.643 1.00 0.00 C ATOM 126 CE2 TYR A 758 15.738 5.173 -0.223 1.00 0.00 C ATOM 127 CZ TYR A 758 16.322 6.418 -0.328 1.00 0.00 C ATOM 128 OH TYR A 758 17.674 6.561 -0.115 1.00 0.00 O ATOM 0 H TYR A 758 11.119 7.706 -2.914 1.00 0.00 H new ATOM 0 HA TYR A 758 12.442 5.055 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 758 11.590 6.864 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 758 11.738 5.132 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 758 13.604 8.241 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 758 13.928 4.058 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 758 16.016 8.496 -0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 758 16.339 4.311 0.026 1.00 0.00 H new ATOM 0 HH TYR A 758 18.066 5.688 0.098 1.00 0.00 H new ATOM 138 N VAL A 759 10.277 3.843 -2.789 1.00 0.00 N ATOM 139 CA VAL A 759 9.003 3.143 -2.904 1.00 0.00 C ATOM 140 C VAL A 759 9.075 1.762 -2.262 1.00 0.00 C ATOM 141 O VAL A 759 9.919 0.941 -2.622 1.00 0.00 O ATOM 142 CB VAL A 759 8.577 2.991 -4.376 1.00 0.00 C ATOM 143 CG1 VAL A 759 7.170 2.418 -4.469 1.00 0.00 C ATOM 144 CG2 VAL A 759 8.665 4.328 -5.097 1.00 0.00 C ATOM 0 H VAL A 759 11.097 3.247 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 759 8.262 3.746 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 759 9.260 2.295 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 759 6.886 2.318 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 759 7.144 1.439 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 759 6.471 3.086 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 759 8.360 4.202 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 759 8.007 5.048 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 759 9.691 4.694 -5.062 1.00 0.00 H new ATOM 154 N CYS A 760 8.183 1.512 -1.309 1.00 0.00 N ATOM 155 CA CYS A 760 8.145 0.230 -0.615 1.00 0.00 C ATOM 156 C CYS A 760 7.991 -0.920 -1.606 1.00 0.00 C ATOM 157 O CYS A 760 6.990 -1.012 -2.316 1.00 0.00 O ATOM 158 CB CYS A 760 6.993 0.206 0.392 1.00 0.00 C ATOM 159 SG CYS A 760 6.776 -1.394 1.235 1.00 0.00 S ATOM 0 H CYS A 760 7.477 2.180 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 760 9.088 0.105 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 760 7.163 0.979 1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 760 6.068 0.461 -0.125 1.00 0.00 H new ATOM 164 N GLN A 761 8.991 -1.795 -1.648 1.00 0.00 N ATOM 165 CA GLN A 761 8.968 -2.939 -2.552 1.00 0.00 C ATOM 166 C GLN A 761 8.488 -4.194 -1.829 1.00 0.00 C ATOM 167 O GLN A 761 9.101 -5.255 -1.937 1.00 0.00 O ATOM 168 CB GLN A 761 10.358 -3.177 -3.144 1.00 0.00 C ATOM 169 CG GLN A 761 10.774 -2.127 -4.161 1.00 0.00 C ATOM 170 CD GLN A 761 12.070 -2.477 -4.865 1.00 0.00 C ATOM 171 OE1 GLN A 761 12.065 -2.922 -6.014 1.00 0.00 O ATOM 172 NE2 GLN A 761 13.189 -2.278 -4.179 1.00 0.00 N ATOM 0 H GLN A 761 9.827 -1.733 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 761 8.271 -2.718 -3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.089 -3.198 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.379 -4.158 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.983 -2.011 -4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.885 -1.165 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 761 13.146 -1.907 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 761 14.092 -2.496 -4.601 1.00 0.00 H new ATOM 181 N GLU A 762 7.389 -4.063 -1.093 1.00 0.00 N ATOM 182 CA GLU A 762 6.829 -5.188 -0.352 1.00 0.00 C ATOM 183 C GLU A 762 5.333 -5.326 -0.622 1.00 0.00 C ATOM 184 O GLU A 762 4.837 -6.422 -0.882 1.00 0.00 O ATOM 185 CB GLU A 762 7.074 -5.011 1.148 1.00 0.00 C ATOM 186 CG GLU A 762 8.516 -4.684 1.495 1.00 0.00 C ATOM 187 CD GLU A 762 9.485 -5.754 1.031 1.00 0.00 C ATOM 188 OE1 GLU A 762 9.173 -6.951 1.204 1.00 0.00 O ATOM 189 OE2 GLU A 762 10.554 -5.396 0.495 1.00 0.00 O ATOM 0 H GLU A 762 6.869 -3.191 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 762 7.327 -6.097 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 762 6.430 -4.215 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 762 6.783 -5.925 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 762 8.788 -3.731 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 762 8.607 -4.560 2.574 1.00 0.00 H new ATOM 196 N CYS A 763 4.620 -4.206 -0.557 1.00 0.00 N ATOM 197 CA CYS A 763 3.182 -4.201 -0.793 1.00 0.00 C ATOM 198 C CYS A 763 2.841 -3.424 -2.061 1.00 0.00 C ATOM 199 O CYS A 763 1.825 -3.681 -2.706 1.00 0.00 O ATOM 200 CB CYS A 763 2.450 -3.590 0.404 1.00 0.00 C ATOM 201 SG CYS A 763 2.905 -1.860 0.749 1.00 0.00 S ATOM 0 H CYS A 763 5.015 -3.290 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 763 2.857 -5.233 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 763 1.376 -3.643 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 763 2.656 -4.192 1.289 1.00 0.00 H new ATOM 206 N GLY A 764 3.700 -2.472 -2.414 1.00 0.00 N ATOM 207 CA GLY A 764 3.473 -1.672 -3.604 1.00 0.00 C ATOM 208 C GLY A 764 2.825 -0.338 -3.291 1.00 0.00 C ATOM 209 O GLY A 764 1.838 0.044 -3.920 1.00 0.00 O ATOM 0 H GLY A 764 4.549 -2.241 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 764 4.423 -1.501 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 764 2.839 -2.227 -4.296 1.00 0.00 H new ATOM 213 N LYS A 765 3.380 0.373 -2.315 1.00 0.00 N ATOM 214 CA LYS A 765 2.850 1.672 -1.918 1.00 0.00 C ATOM 215 C LYS A 765 3.960 2.716 -1.854 1.00 0.00 C ATOM 216 O LYS A 765 4.978 2.513 -1.192 1.00 0.00 O ATOM 217 CB LYS A 765 2.153 1.569 -0.560 1.00 0.00 C ATOM 218 CG LYS A 765 0.724 1.062 -0.646 1.00 0.00 C ATOM 219 CD LYS A 765 0.091 0.941 0.730 1.00 0.00 C ATOM 220 CE LYS A 765 -0.438 2.281 1.219 1.00 0.00 C ATOM 221 NZ LYS A 765 -0.705 2.270 2.684 1.00 0.00 N ATOM 0 H LYS A 765 4.197 0.071 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 765 2.124 1.985 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 765 2.728 0.903 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 765 2.153 2.550 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 765 0.133 1.740 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 765 0.711 0.091 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 765 -0.724 0.218 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 765 0.826 0.558 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 765 0.285 3.063 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 765 -1.356 2.526 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 -1.064 3.201 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 -1.414 1.541 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 0.176 2.061 3.196 1.00 0.00 H new ATOM 235 N ALA A 766 3.757 3.833 -2.545 1.00 0.00 N ATOM 236 CA ALA A 766 4.740 4.909 -2.563 1.00 0.00 C ATOM 237 C ALA A 766 4.265 6.100 -1.737 1.00 0.00 C ATOM 238 O ALA A 766 3.071 6.250 -1.475 1.00 0.00 O ATOM 239 CB ALA A 766 5.027 5.338 -3.994 1.00 0.00 C ATOM 0 H ALA A 766 2.921 4.016 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 766 5.661 4.534 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 766 5.763 6.142 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 766 5.418 4.490 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 766 4.106 5.690 -4.460 1.00 0.00 H new ATOM 245 N PHE A 767 5.206 6.944 -1.328 1.00 0.00 N ATOM 246 CA PHE A 767 4.884 8.121 -0.530 1.00 0.00 C ATOM 247 C PHE A 767 5.676 9.335 -1.007 1.00 0.00 C ATOM 248 O PHE A 767 6.602 9.212 -1.809 1.00 0.00 O ATOM 249 CB PHE A 767 5.175 7.856 0.948 1.00 0.00 C ATOM 250 CG PHE A 767 4.408 6.694 1.511 1.00 0.00 C ATOM 251 CD1 PHE A 767 3.142 6.874 2.043 1.00 0.00 C ATOM 252 CD2 PHE A 767 4.955 5.420 1.508 1.00 0.00 C ATOM 253 CE1 PHE A 767 2.435 5.806 2.562 1.00 0.00 C ATOM 254 CE2 PHE A 767 4.252 4.348 2.026 1.00 0.00 C ATOM 255 CZ PHE A 767 2.990 4.541 2.552 1.00 0.00 C ATOM 0 H PHE A 767 6.199 6.835 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 767 3.822 8.332 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.242 7.671 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 767 4.937 8.751 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 767 2.702 7.860 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.941 5.263 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 767 1.449 5.960 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 767 4.690 3.361 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 767 2.438 3.705 2.955 1.00 0.00 H new ATOM 265 N THR A 768 5.305 10.510 -0.506 1.00 0.00 N ATOM 266 CA THR A 768 5.979 11.747 -0.881 1.00 0.00 C ATOM 267 C THR A 768 7.329 11.870 -0.185 1.00 0.00 C ATOM 268 O THR A 768 8.342 12.158 -0.823 1.00 0.00 O ATOM 269 CB THR A 768 5.122 12.980 -0.537 1.00 0.00 C ATOM 270 OG1 THR A 768 4.882 13.031 0.874 1.00 0.00 O ATOM 271 CG2 THR A 768 3.795 12.942 -1.280 1.00 0.00 C ATOM 0 H THR A 768 4.542 10.630 0.160 1.00 0.00 H new ATOM 0 HA THR A 768 6.132 11.710 -1.960 1.00 0.00 H new ATOM 0 HB THR A 768 5.668 13.872 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 768 4.338 13.818 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 768 3.208 13.823 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 768 3.980 12.932 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 768 3.246 12.044 -0.998 1.00 0.00 H new ATOM 279 N GLN A 769 7.336 11.651 1.126 1.00 0.00 N ATOM 280 CA GLN A 769 8.564 11.738 1.908 1.00 0.00 C ATOM 281 C GLN A 769 9.341 10.427 1.849 1.00 0.00 C ATOM 282 O GLN A 769 8.867 9.438 1.291 1.00 0.00 O ATOM 283 CB GLN A 769 8.243 12.090 3.362 1.00 0.00 C ATOM 284 CG GLN A 769 7.307 13.278 3.508 1.00 0.00 C ATOM 285 CD GLN A 769 7.910 14.565 2.981 1.00 0.00 C ATOM 286 OE1 GLN A 769 9.108 14.636 2.706 1.00 0.00 O ATOM 287 NE2 GLN A 769 7.081 15.592 2.837 1.00 0.00 N ATOM 0 H GLN A 769 6.506 11.412 1.669 1.00 0.00 H new ATOM 0 HA GLN A 769 9.184 12.525 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 769 7.794 11.223 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 769 9.173 12.304 3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 769 6.379 13.072 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 769 7.050 13.406 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 769 6.095 15.489 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 769 7.430 16.484 2.486 1.00 0.00 H new ATOM 296 N SER A 770 10.537 10.427 2.428 1.00 0.00 N ATOM 297 CA SER A 770 11.382 9.239 2.438 1.00 0.00 C ATOM 298 C SER A 770 11.260 8.497 3.766 1.00 0.00 C ATOM 299 O SER A 770 11.298 7.267 3.807 1.00 0.00 O ATOM 300 CB SER A 770 12.842 9.623 2.188 1.00 0.00 C ATOM 301 OG SER A 770 13.355 10.399 3.257 1.00 0.00 O ATOM 0 H SER A 770 10.943 11.237 2.897 1.00 0.00 H new ATOM 0 HA SER A 770 11.046 8.578 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 770 13.443 8.722 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 770 12.919 10.184 1.257 1.00 0.00 H new ATOM 0 HG SER A 770 14.290 10.630 3.074 1.00 0.00 H new ATOM 307 N SER A 771 11.113 9.253 4.848 1.00 0.00 N ATOM 308 CA SER A 771 10.989 8.669 6.178 1.00 0.00 C ATOM 309 C SER A 771 9.696 7.868 6.301 1.00 0.00 C ATOM 310 O SER A 771 9.619 6.907 7.068 1.00 0.00 O ATOM 311 CB SER A 771 11.026 9.764 7.246 1.00 0.00 C ATOM 312 OG SER A 771 10.489 9.300 8.472 1.00 0.00 O ATOM 0 H SER A 771 11.077 10.272 4.830 1.00 0.00 H new ATOM 0 HA SER A 771 11.831 7.994 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 771 12.054 10.094 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 771 10.461 10.630 6.903 1.00 0.00 H new ATOM 0 HG SER A 771 10.526 10.018 9.138 1.00 0.00 H new ATOM 318 N CYS A 772 8.683 8.271 5.541 1.00 0.00 N ATOM 319 CA CYS A 772 7.393 7.592 5.565 1.00 0.00 C ATOM 320 C CYS A 772 7.550 6.112 5.230 1.00 0.00 C ATOM 321 O CYS A 772 6.780 5.273 5.698 1.00 0.00 O ATOM 322 CB CYS A 772 6.429 8.251 4.577 1.00 0.00 C ATOM 323 SG CYS A 772 4.683 8.034 4.993 1.00 0.00 S ATOM 0 H CYS A 772 8.731 9.064 4.901 1.00 0.00 H new ATOM 0 HA CYS A 772 6.985 7.676 6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 772 6.650 9.317 4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 772 6.608 7.841 3.583 1.00 0.00 H new ATOM 0 HG CYS A 772 4.038 7.607 3.948 1.00 0.00 H new ATOM 329 N LEU A 773 8.552 5.799 4.417 1.00 0.00 N ATOM 330 CA LEU A 773 8.811 4.420 4.017 1.00 0.00 C ATOM 331 C LEU A 773 9.448 3.633 5.158 1.00 0.00 C ATOM 332 O LEU A 773 9.236 2.427 5.289 1.00 0.00 O ATOM 333 CB LEU A 773 9.721 4.386 2.788 1.00 0.00 C ATOM 334 CG LEU A 773 10.367 3.037 2.468 1.00 0.00 C ATOM 335 CD1 LEU A 773 9.304 1.961 2.308 1.00 0.00 C ATOM 336 CD2 LEU A 773 11.218 3.139 1.211 1.00 0.00 C ATOM 0 H LEU A 773 9.199 6.481 4.021 1.00 0.00 H new ATOM 0 HA LEU A 773 7.857 3.955 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 773 9.140 4.703 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 773 10.513 5.122 2.927 1.00 0.00 H new ATOM 0 HG LEU A 773 11.014 2.759 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 773 9.782 1.008 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 773 8.736 1.870 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 773 8.631 2.232 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 773 11.670 2.170 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 773 10.592 3.440 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 773 12.003 3.880 1.362 1.00 0.00 H new ATOM 348 N SER A 774 10.229 4.323 5.983 1.00 0.00 N ATOM 349 CA SER A 774 10.899 3.689 7.112 1.00 0.00 C ATOM 350 C SER A 774 9.885 3.046 8.054 1.00 0.00 C ATOM 351 O SER A 774 9.801 1.821 8.150 1.00 0.00 O ATOM 352 CB SER A 774 11.741 4.714 7.874 1.00 0.00 C ATOM 353 OG SER A 774 12.540 4.085 8.861 1.00 0.00 O ATOM 0 H SER A 774 10.413 5.322 5.890 1.00 0.00 H new ATOM 0 HA SER A 774 11.553 2.909 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 774 12.379 5.256 7.176 1.00 0.00 H new ATOM 0 HB3 SER A 774 11.087 5.449 8.345 1.00 0.00 H new ATOM 0 HG SER A 774 13.070 4.761 9.333 1.00 0.00 H new ATOM 359 N ILE A 775 9.118 3.881 8.746 1.00 0.00 N ATOM 360 CA ILE A 775 8.109 3.395 9.679 1.00 0.00 C ATOM 361 C ILE A 775 7.156 2.418 8.999 1.00 0.00 C ATOM 362 O ILE A 775 6.606 1.522 9.640 1.00 0.00 O ATOM 363 CB ILE A 775 7.294 4.555 10.281 1.00 0.00 C ATOM 364 CG1 ILE A 775 8.220 5.544 10.991 1.00 0.00 C ATOM 365 CG2 ILE A 775 6.244 4.020 11.244 1.00 0.00 C ATOM 366 CD1 ILE A 775 7.572 6.880 11.278 1.00 0.00 C ATOM 0 H ILE A 775 9.176 4.897 8.678 1.00 0.00 H new ATOM 0 HA ILE A 775 8.641 2.881 10.480 1.00 0.00 H new ATOM 0 HB ILE A 775 6.785 5.080 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 775 8.557 5.104 11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 775 9.107 5.704 10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 775 5.676 4.851 11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 775 5.569 3.351 10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 775 6.734 3.474 12.050 1.00 0.00 H new ATOM 0 HD11 ILE A 775 8.287 7.530 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 775 7.260 7.342 10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 775 6.702 6.732 11.918 1.00 0.00 H new ATOM 378 N HIS A 776 6.967 2.595 7.695 1.00 0.00 N ATOM 379 CA HIS A 776 6.082 1.727 6.926 1.00 0.00 C ATOM 380 C HIS A 776 6.712 0.353 6.722 1.00 0.00 C ATOM 381 O HIS A 776 6.014 -0.660 6.677 1.00 0.00 O ATOM 382 CB HIS A 776 5.762 2.361 5.572 1.00 0.00 C ATOM 383 CG HIS A 776 4.995 1.459 4.655 1.00 0.00 C ATOM 384 ND1 HIS A 776 3.618 1.445 4.591 1.00 0.00 N ATOM 385 CD2 HIS A 776 5.421 0.537 3.759 1.00 0.00 C ATOM 386 CE1 HIS A 776 3.230 0.553 3.697 1.00 0.00 C ATOM 387 NE2 HIS A 776 4.305 -0.012 3.178 1.00 0.00 N ATOM 0 H HIS A 776 7.415 3.331 7.149 1.00 0.00 H new ATOM 0 HA HIS A 776 5.156 1.603 7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 776 5.189 3.274 5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 776 6.694 2.652 5.087 1.00 0.00 H new ATOM 0 HD1 HIS A 776 2.996 2.032 5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 776 6.448 0.281 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 776 2.207 0.325 3.435 1.00 0.00 H new ATOM 395 N ARG A 777 8.035 0.326 6.599 1.00 0.00 N ATOM 396 CA ARG A 777 8.758 -0.924 6.398 1.00 0.00 C ATOM 397 C ARG A 777 8.791 -1.746 7.682 1.00 0.00 C ATOM 398 O ARG A 777 8.894 -2.972 7.644 1.00 0.00 O ATOM 399 CB ARG A 777 10.186 -0.641 5.924 1.00 0.00 C ATOM 400 CG ARG A 777 10.763 -1.736 5.042 1.00 0.00 C ATOM 401 CD ARG A 777 12.068 -1.299 4.395 1.00 0.00 C ATOM 402 NE ARG A 777 12.945 -2.433 4.115 1.00 0.00 N ATOM 403 CZ ARG A 777 13.708 -3.016 5.033 1.00 0.00 C ATOM 404 NH1 ARG A 777 13.700 -2.575 6.283 1.00 0.00 N ATOM 405 NH2 ARG A 777 14.480 -4.042 4.701 1.00 0.00 N ATOM 0 H ARG A 777 8.628 1.155 6.635 1.00 0.00 H new ATOM 0 HA ARG A 777 8.235 -1.498 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 777 10.198 0.300 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 777 10.829 -0.510 6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 777 10.933 -2.633 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 777 10.042 -1.999 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 777 11.853 -0.769 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 777 12.581 -0.597 5.052 1.00 0.00 H new ATOM 0 HE ARG A 777 12.973 -2.797 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 777 13.107 -1.786 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 777 14.287 -3.024 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 777 14.488 -4.384 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 777 15.066 -4.489 5.407 1.00 0.00 H new ATOM 419 N ARG A 778 8.702 -1.063 8.819 1.00 0.00 N ATOM 420 CA ARG A 778 8.723 -1.730 10.115 1.00 0.00 C ATOM 421 C ARG A 778 7.611 -2.771 10.209 1.00 0.00 C ATOM 422 O ARG A 778 7.757 -3.791 10.882 1.00 0.00 O ATOM 423 CB ARG A 778 8.574 -0.706 11.242 1.00 0.00 C ATOM 424 CG ARG A 778 9.658 0.359 11.244 1.00 0.00 C ATOM 425 CD ARG A 778 9.710 1.098 12.572 1.00 0.00 C ATOM 426 NE ARG A 778 10.927 1.894 12.708 1.00 0.00 N ATOM 427 CZ ARG A 778 12.107 1.380 13.038 1.00 0.00 C ATOM 428 NH1 ARG A 778 12.228 0.079 13.264 1.00 0.00 N ATOM 429 NH2 ARG A 778 13.169 2.169 13.143 1.00 0.00 N ATOM 0 H ARG A 778 8.615 -0.048 8.869 1.00 0.00 H new ATOM 0 HA ARG A 778 9.682 -2.237 10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 778 7.601 -0.222 11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 778 8.587 -1.227 12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 778 10.625 -0.104 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.473 1.069 10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 778 8.840 1.748 12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 778 9.654 0.379 13.389 1.00 0.00 H new ATOM 0 HE ARG A 778 10.868 2.898 12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 778 11.414 -0.530 13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 778 13.135 -0.312 13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.080 3.170 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.075 1.774 13.396 1.00 0.00 H new ATOM 443 N VAL A 779 6.500 -2.505 9.529 1.00 0.00 N ATOM 444 CA VAL A 779 5.363 -3.418 9.536 1.00 0.00 C ATOM 445 C VAL A 779 5.357 -4.296 8.289 1.00 0.00 C ATOM 446 O VAL A 779 4.310 -4.521 7.680 1.00 0.00 O ATOM 447 CB VAL A 779 4.029 -2.653 9.618 1.00 0.00 C ATOM 448 CG1 VAL A 779 3.921 -1.908 10.940 1.00 0.00 C ATOM 449 CG2 VAL A 779 3.891 -1.696 8.444 1.00 0.00 C ATOM 0 H VAL A 779 6.363 -1.665 8.967 1.00 0.00 H new ATOM 0 HA VAL A 779 5.467 -4.047 10.420 1.00 0.00 H new ATOM 0 HB VAL A 779 3.213 -3.374 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.972 -1.373 10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 779 3.971 -2.620 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 779 4.742 -1.196 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.943 -1.164 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 779 4.712 -0.979 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 779 3.920 -2.258 7.511 1.00 0.00 H new ATOM 459 N HIS A 780 6.532 -4.791 7.914 1.00 0.00 N ATOM 460 CA HIS A 780 6.662 -5.646 6.740 1.00 0.00 C ATOM 461 C HIS A 780 7.678 -6.758 6.987 1.00 0.00 C ATOM 462 O HIS A 780 8.881 -6.507 7.072 1.00 0.00 O ATOM 463 CB HIS A 780 7.081 -4.818 5.524 1.00 0.00 C ATOM 464 CG HIS A 780 5.924 -4.258 4.755 1.00 0.00 C ATOM 465 ND1 HIS A 780 4.823 -5.007 4.398 1.00 0.00 N ATOM 466 CD2 HIS A 780 5.701 -3.012 4.274 1.00 0.00 C ATOM 467 CE1 HIS A 780 3.974 -4.248 3.731 1.00 0.00 C ATOM 468 NE2 HIS A 780 4.482 -3.032 3.642 1.00 0.00 N ATOM 0 H HIS A 780 7.408 -4.615 8.406 1.00 0.00 H new ATOM 0 HA HIS A 780 5.691 -6.102 6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 780 7.718 -3.998 5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 780 7.681 -5.440 4.860 1.00 0.00 H new ATOM 0 HD1 HIS A 780 4.686 -5.994 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 780 6.359 -2.161 4.370 1.00 0.00 H new ATOM 0 HE1 HIS A 780 3.025 -4.567 3.327 1.00 0.00 H new ATOM 476 N THR A 781 7.186 -7.987 7.102 1.00 0.00 N ATOM 477 CA THR A 781 8.049 -9.137 7.341 1.00 0.00 C ATOM 478 C THR A 781 8.904 -9.446 6.118 1.00 0.00 C ATOM 479 O THR A 781 8.403 -9.499 4.995 1.00 0.00 O ATOM 480 CB THR A 781 7.230 -10.388 7.711 1.00 0.00 C ATOM 481 OG1 THR A 781 8.108 -11.487 7.979 1.00 0.00 O ATOM 482 CG2 THR A 781 6.273 -10.759 6.588 1.00 0.00 C ATOM 0 H THR A 781 6.193 -8.212 7.033 1.00 0.00 H new ATOM 0 HA THR A 781 8.697 -8.877 8.178 1.00 0.00 H new ATOM 0 HB THR A 781 6.648 -10.163 8.604 1.00 0.00 H new ATOM 0 HG1 THR A 781 7.580 -12.278 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 781 5.705 -11.645 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 781 5.587 -9.932 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 781 6.840 -10.966 5.680 1.00 0.00 H new ATOM 490 N GLY A 782 10.199 -9.651 6.342 1.00 0.00 N ATOM 491 CA GLY A 782 11.103 -9.954 5.248 1.00 0.00 C ATOM 492 C GLY A 782 11.280 -11.444 5.038 1.00 0.00 C ATOM 493 O GLY A 782 10.423 -12.238 5.426 1.00 0.00 O ATOM 0 H GLY A 782 10.638 -9.613 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 782 10.723 -9.504 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 782 12.074 -9.500 5.447 1.00 0.00 H new ATOM 497 N GLU A 783 12.394 -11.825 4.420 1.00 0.00 N ATOM 498 CA GLU A 783 12.679 -13.231 4.157 1.00 0.00 C ATOM 499 C GLU A 783 13.507 -13.839 5.286 1.00 0.00 C ATOM 500 O GLU A 783 14.654 -13.452 5.506 1.00 0.00 O ATOM 501 CB GLU A 783 13.419 -13.384 2.827 1.00 0.00 C ATOM 502 CG GLU A 783 12.650 -12.837 1.636 1.00 0.00 C ATOM 503 CD GLU A 783 13.016 -13.530 0.338 1.00 0.00 C ATOM 504 OE1 GLU A 783 14.161 -13.350 -0.128 1.00 0.00 O ATOM 505 OE2 GLU A 783 12.158 -14.251 -0.213 1.00 0.00 O ATOM 0 H GLU A 783 13.113 -11.180 4.092 1.00 0.00 H new ATOM 0 HA GLU A 783 11.729 -13.763 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 783 14.379 -12.873 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 783 13.631 -14.440 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 783 11.581 -12.950 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 783 12.846 -11.769 1.541 1.00 0.00 H new ATOM 512 N SER A 784 12.916 -14.793 5.998 1.00 0.00 N ATOM 513 CA SER A 784 13.596 -15.452 7.107 1.00 0.00 C ATOM 514 C SER A 784 13.861 -16.920 6.786 1.00 0.00 C ATOM 515 O SER A 784 13.003 -17.612 6.240 1.00 0.00 O ATOM 516 CB SER A 784 12.761 -15.339 8.384 1.00 0.00 C ATOM 517 OG SER A 784 13.578 -15.441 9.537 1.00 0.00 O ATOM 0 H SER A 784 11.968 -15.127 5.827 1.00 0.00 H new ATOM 0 HA SER A 784 14.553 -14.954 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 784 12.231 -14.387 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 784 12.005 -16.124 8.399 1.00 0.00 H new ATOM 0 HG SER A 784 13.022 -15.364 10.340 1.00 0.00 H new ATOM 523 N GLY A 785 15.057 -17.388 7.131 1.00 0.00 N ATOM 524 CA GLY A 785 15.415 -18.770 6.873 1.00 0.00 C ATOM 525 C GLY A 785 16.339 -18.917 5.680 1.00 0.00 C ATOM 526 O GLY A 785 16.828 -17.934 5.122 1.00 0.00 O ATOM 0 H GLY A 785 15.784 -16.834 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 785 15.898 -19.188 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 785 14.509 -19.351 6.700 1.00 0.00 H new ATOM 530 N PRO A 786 16.593 -20.170 5.273 1.00 0.00 N ATOM 531 CA PRO A 786 17.467 -20.471 4.136 1.00 0.00 C ATOM 532 C PRO A 786 16.814 -20.139 2.799 1.00 0.00 C ATOM 533 O PRO A 786 16.042 -20.932 2.261 1.00 0.00 O ATOM 534 CB PRO A 786 17.701 -21.979 4.258 1.00 0.00 C ATOM 535 CG PRO A 786 16.506 -22.489 4.987 1.00 0.00 C ATOM 536 CD PRO A 786 16.044 -21.388 5.892 1.00 0.00 C ATOM 0 HA PRO A 786 18.383 -19.881 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 786 17.796 -22.446 3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 786 18.620 -22.194 4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 786 15.718 -22.770 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 786 16.756 -23.381 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 786 14.956 -21.350 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 786 16.416 -21.523 6.908 1.00 0.00 H new ATOM 544 N SER A 787 17.130 -18.963 2.267 1.00 0.00 N ATOM 545 CA SER A 787 16.571 -18.525 0.993 1.00 0.00 C ATOM 546 C SER A 787 17.654 -18.456 -0.080 1.00 0.00 C ATOM 547 O SER A 787 18.498 -17.560 -0.069 1.00 0.00 O ATOM 548 CB SER A 787 15.903 -17.158 1.148 1.00 0.00 C ATOM 549 OG SER A 787 15.814 -16.489 -0.098 1.00 0.00 O ATOM 0 H SER A 787 17.770 -18.296 2.698 1.00 0.00 H new ATOM 0 HA SER A 787 15.822 -19.254 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 787 14.905 -17.283 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 787 16.472 -16.550 1.851 1.00 0.00 H new ATOM 0 HG SER A 787 15.382 -15.618 0.028 1.00 0.00 H new ATOM 555 N SER A 788 17.622 -19.409 -1.006 1.00 0.00 N ATOM 556 CA SER A 788 18.602 -19.460 -2.084 1.00 0.00 C ATOM 557 C SER A 788 18.663 -18.128 -2.826 1.00 0.00 C ATOM 558 O SER A 788 17.710 -17.734 -3.497 1.00 0.00 O ATOM 559 CB SER A 788 18.257 -20.585 -3.062 1.00 0.00 C ATOM 560 OG SER A 788 17.622 -21.663 -2.396 1.00 0.00 O ATOM 0 H SER A 788 16.928 -20.156 -1.031 1.00 0.00 H new ATOM 0 HA SER A 788 19.580 -19.657 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 788 17.603 -20.202 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 788 19.166 -20.939 -3.549 1.00 0.00 H new ATOM 0 HG SER A 788 17.410 -22.368 -3.043 1.00 0.00 H new ATOM 566 N GLY A 789 19.793 -17.439 -2.699 1.00 0.00 N ATOM 567 CA GLY A 789 19.959 -16.158 -3.361 1.00 0.00 C ATOM 568 C GLY A 789 20.886 -16.240 -4.558 1.00 0.00 C ATOM 569 O GLY A 789 20.703 -17.121 -5.397 1.00 0.00 O ATOM 0 H GLY A 789 20.596 -17.745 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 789 18.985 -15.791 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 789 20.353 -15.433 -2.649 1.00 0.00 H new TER 573 GLY A 789 HETATM 574 ZN ZN A 201 4.750 -1.628 2.132 1.00 0.00 ZN