USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 732 LYS NZ :NH3+ -153:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 816 GLN : amide:sc= -1.01! C(o=0.26!,f=-8.3!) USER MOD Set 2.1: A 786 THR OG1 : rot -15:sc= 1.1 USER MOD Set 2.2: A 787 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 739 SER OG : rot -68:sc= 0.599 USER MOD Set 3.2: A 782 THR OG1 : rot 121:sc= 2.46 USER MOD Set 4.1: A 722 SER OG : rot -160:sc= -0.743 USER MOD Set 4.2: A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 810 GLN : amide:sc= -4.34! C(o=-5.1!,f=-15!) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 726 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.15) USER MOD Single : A 728 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.025) USER MOD Single : A 729 HIS : no HE2:sc= 0.138 K(o=0.14,f=-0.99) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 740 SER OG : rot 44:sc= 0.127 USER MOD Single : A 748 GLN : amide:sc= -0.924 K(o=-0.92,f=-2) USER MOD Single : A 752 THR OG1 : rot 80:sc= 0 USER MOD Single : A 754 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 TYR OH : rot -31:sc= -0.461 USER MOD Single : A 760 THR OG1 : rot 2:sc= 0.707 USER MOD Single : A 766 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.2) USER MOD Single : A 767 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 776 ASN : amide:sc= -0.537! X(o=-0.54!,f=-0.28) USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 162:sc= -0.0237 (180deg=-0.235) USER MOD Single : A 791 TYR OH : rot -143:sc= 0.832 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 0:sc= 0.951 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 802 THR OG1 : rot -86:sc= 1.3 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 51:sc= 0.0991 USER MOD Single : A 814 LYS NZ :NH3+ -124:sc= 0.927 (180deg=0.287) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -17.263 2.511 -5.560 1.00 0.00 N ATOM 42 CA LYS A 720 -16.211 1.572 -5.858 1.00 0.00 C ATOM 43 C LYS A 720 -15.051 1.796 -4.906 1.00 0.00 C ATOM 44 O LYS A 720 -14.462 2.875 -4.883 1.00 0.00 O ATOM 45 CB LYS A 720 -15.750 1.701 -7.305 1.00 0.00 C ATOM 46 CG LYS A 720 -16.859 1.503 -8.326 1.00 0.00 C ATOM 47 CD LYS A 720 -16.323 1.536 -9.749 1.00 0.00 C ATOM 48 CE LYS A 720 -15.395 0.365 -10.032 1.00 0.00 C ATOM 49 NZ LYS A 720 -14.903 0.379 -11.435 1.00 0.00 N ATOM 0 HA LYS A 720 -16.597 0.561 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -15.309 2.688 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.963 0.970 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -17.354 0.549 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.612 2.282 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -17.156 1.517 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.788 2.471 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -14.547 0.400 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -15.921 -0.570 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -14.273 -0.434 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -15.711 0.320 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -14.380 1.260 -11.611 1.00 0.00 H new ATOM 63 N PRO A 721 -14.726 0.795 -4.086 1.00 0.00 N ATOM 64 CA PRO A 721 -13.662 0.904 -3.113 1.00 0.00 C ATOM 65 C PRO A 721 -12.324 0.492 -3.703 1.00 0.00 C ATOM 66 O PRO A 721 -12.269 -0.328 -4.626 1.00 0.00 O ATOM 67 CB PRO A 721 -14.116 -0.055 -2.022 1.00 0.00 C ATOM 68 CG PRO A 721 -14.920 -1.106 -2.725 1.00 0.00 C ATOM 69 CD PRO A 721 -15.331 -0.545 -4.067 1.00 0.00 C ATOM 0 HA PRO A 721 -13.502 1.921 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.263 -0.494 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.714 0.460 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.333 -2.015 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.798 -1.374 -2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.964 -1.161 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.415 -0.496 -4.165 1.00 0.00 H new ATOM 77 N SER A 722 -11.254 1.068 -3.178 1.00 0.00 N ATOM 78 CA SER A 722 -9.920 0.835 -3.705 1.00 0.00 C ATOM 79 C SER A 722 -8.904 1.622 -2.875 1.00 0.00 C ATOM 80 O SER A 722 -9.194 1.966 -1.734 1.00 0.00 O ATOM 81 CB SER A 722 -9.897 1.239 -5.181 1.00 0.00 C ATOM 82 OG SER A 722 -10.533 2.492 -5.389 1.00 0.00 O ATOM 0 H SER A 722 -11.285 1.705 -2.382 1.00 0.00 H new ATOM 0 HA SER A 722 -9.652 -0.219 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 722 -8.865 1.292 -5.529 1.00 0.00 H new ATOM 0 HB3 SER A 722 -10.395 0.474 -5.776 1.00 0.00 H new ATOM 0 HG SER A 722 -10.786 2.578 -6.332 1.00 0.00 H new ATOM 88 N ALA A 723 -7.712 1.893 -3.407 1.00 0.00 N ATOM 89 CA ALA A 723 -6.753 2.709 -2.686 1.00 0.00 C ATOM 90 C ALA A 723 -5.837 3.450 -3.649 1.00 0.00 C ATOM 91 O ALA A 723 -5.395 2.896 -4.648 1.00 0.00 O ATOM 92 CB ALA A 723 -5.946 1.844 -1.740 1.00 0.00 C ATOM 0 H ALA A 723 -7.397 1.563 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.298 3.453 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.228 2.464 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.615 1.362 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.413 1.082 -2.309 1.00 0.00 H new ATOM 98 N SER A 724 -5.520 4.693 -3.333 1.00 0.00 N ATOM 99 CA SER A 724 -4.705 5.506 -4.217 1.00 0.00 C ATOM 100 C SER A 724 -3.610 6.190 -3.419 1.00 0.00 C ATOM 101 O SER A 724 -3.872 7.127 -2.661 1.00 0.00 O ATOM 102 CB SER A 724 -5.577 6.538 -4.935 1.00 0.00 C ATOM 103 OG SER A 724 -6.630 5.898 -5.641 1.00 0.00 O ATOM 0 H SER A 724 -5.813 5.160 -2.475 1.00 0.00 H new ATOM 0 HA SER A 724 -4.242 4.867 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 724 -5.991 7.239 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 724 -4.967 7.118 -5.628 1.00 0.00 H new ATOM 0 HG SER A 724 -7.178 6.573 -6.093 1.00 0.00 H new ATOM 109 N LEU A 725 -2.390 5.697 -3.565 1.00 0.00 N ATOM 110 CA LEU A 725 -1.279 6.200 -2.803 1.00 0.00 C ATOM 111 C LEU A 725 -1.016 7.664 -3.103 1.00 0.00 C ATOM 112 O LEU A 725 -1.175 8.128 -4.234 1.00 0.00 O ATOM 113 CB LEU A 725 -0.039 5.381 -3.092 1.00 0.00 C ATOM 114 CG LEU A 725 -0.243 3.865 -3.096 1.00 0.00 C ATOM 115 CD1 LEU A 725 1.084 3.185 -3.255 1.00 0.00 C ATOM 116 CD2 LEU A 725 -0.912 3.400 -1.819 1.00 0.00 C ATOM 0 H LEU A 725 -2.153 4.944 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.532 6.115 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.356 5.680 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.720 5.627 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.894 3.605 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.941 2.104 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.540 3.493 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.736 3.462 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.044 2.318 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.289 3.665 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -1.885 3.882 -1.722 1.00 0.00 H new ATOM 128 N LYS A 726 -0.604 8.373 -2.076 1.00 0.00 N ATOM 129 CA LYS A 726 -0.365 9.801 -2.168 1.00 0.00 C ATOM 130 C LYS A 726 1.118 10.058 -2.386 1.00 0.00 C ATOM 131 O LYS A 726 1.527 11.161 -2.744 1.00 0.00 O ATOM 132 CB LYS A 726 -0.843 10.503 -0.901 1.00 0.00 C ATOM 133 CG LYS A 726 -2.242 10.092 -0.480 1.00 0.00 C ATOM 134 CD LYS A 726 -2.845 11.068 0.516 1.00 0.00 C ATOM 135 CE LYS A 726 -3.291 12.343 -0.178 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.712 13.393 0.785 1.00 0.00 N ATOM 0 H LYS A 726 -0.424 7.979 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.925 10.201 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.148 10.286 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.821 11.581 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.882 10.030 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.210 9.096 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.695 10.605 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.113 11.306 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.475 12.723 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -4.119 12.117 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.910 14.275 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.570 13.082 1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.951 13.557 1.474 1.00 0.00 H new ATOM 150 N LEU A 727 1.914 9.021 -2.153 1.00 0.00 N ATOM 151 CA LEU A 727 3.343 9.080 -2.405 1.00 0.00 C ATOM 152 C LEU A 727 3.598 9.145 -3.906 1.00 0.00 C ATOM 153 O LEU A 727 3.305 8.196 -4.634 1.00 0.00 O ATOM 154 CB LEU A 727 4.043 7.857 -1.803 1.00 0.00 C ATOM 155 CG LEU A 727 5.534 7.732 -2.121 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.282 8.985 -1.700 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.118 6.512 -1.432 1.00 0.00 C ATOM 0 H LEU A 727 1.589 8.126 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 727 3.748 9.976 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.921 7.886 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.537 6.959 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 727 5.646 7.614 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.340 8.873 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 727 5.880 9.846 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.163 9.136 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.180 6.435 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.991 6.607 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.603 5.616 -1.780 1.00 0.00 H new ATOM 169 N HIS A 728 4.138 10.261 -4.366 1.00 0.00 N ATOM 170 CA HIS A 728 4.317 10.475 -5.793 1.00 0.00 C ATOM 171 C HIS A 728 5.795 10.574 -6.155 1.00 0.00 C ATOM 172 O HIS A 728 6.198 11.444 -6.924 1.00 0.00 O ATOM 173 CB HIS A 728 3.584 11.747 -6.218 1.00 0.00 C ATOM 174 CG HIS A 728 3.271 11.807 -7.683 1.00 0.00 C ATOM 175 ND1 HIS A 728 3.839 12.723 -8.538 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.431 11.062 -8.440 1.00 0.00 C ATOM 177 CE1 HIS A 728 3.364 12.542 -9.755 1.00 0.00 C ATOM 178 NE2 HIS A 728 2.508 11.539 -9.724 1.00 0.00 N ATOM 0 H HIS A 728 4.459 11.029 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 728 3.899 9.620 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 728 2.654 11.824 -5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.192 12.611 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.815 10.244 -8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 728 3.631 13.118 -10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 728 1.988 11.177 -10.524 1.00 0.00 H new ATOM 187 N HIS A 729 6.600 9.687 -5.583 1.00 0.00 N ATOM 188 CA HIS A 729 8.029 9.632 -5.882 1.00 0.00 C ATOM 189 C HIS A 729 8.678 8.453 -5.178 1.00 0.00 C ATOM 190 O HIS A 729 8.002 7.674 -4.503 1.00 0.00 O ATOM 191 CB HIS A 729 8.757 10.927 -5.493 1.00 0.00 C ATOM 192 CG HIS A 729 8.585 11.319 -4.063 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.573 11.186 -3.109 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.527 11.862 -3.434 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.123 11.632 -1.951 1.00 0.00 C ATOM 196 NE2 HIS A 729 7.881 12.050 -2.121 1.00 0.00 N ATOM 0 H HIS A 729 6.287 8.992 -4.906 1.00 0.00 H new ATOM 0 HA HIS A 729 8.119 9.509 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.821 10.809 -5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.397 11.738 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 729 10.504 10.803 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.574 12.105 -3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 729 9.675 11.652 -1.023 1.00 0.00 H new ATOM 205 N ASP A 730 9.986 8.336 -5.342 1.00 0.00 N ATOM 206 CA ASP A 730 10.758 7.287 -4.694 1.00 0.00 C ATOM 207 C ASP A 730 10.975 7.613 -3.229 1.00 0.00 C ATOM 208 O ASP A 730 11.070 8.781 -2.847 1.00 0.00 O ATOM 209 CB ASP A 730 12.124 7.123 -5.359 1.00 0.00 C ATOM 210 CG ASP A 730 12.067 6.518 -6.747 1.00 0.00 C ATOM 211 OD1 ASP A 730 11.186 6.904 -7.548 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.937 5.680 -7.056 1.00 0.00 O ATOM 0 H ASP A 730 10.541 8.962 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 730 10.192 6.360 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.607 8.099 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 730 12.751 6.495 -4.726 1.00 0.00 H new ATOM 217 N LEU A 731 11.046 6.581 -2.415 1.00 0.00 N ATOM 218 CA LEU A 731 11.392 6.741 -1.015 1.00 0.00 C ATOM 219 C LEU A 731 12.836 6.355 -0.777 1.00 0.00 C ATOM 220 O LEU A 731 13.164 5.178 -0.744 1.00 0.00 O ATOM 221 CB LEU A 731 10.461 5.918 -0.137 1.00 0.00 C ATOM 222 CG LEU A 731 9.192 6.648 0.251 1.00 0.00 C ATOM 223 CD1 LEU A 731 8.362 5.824 1.218 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.519 8.009 0.852 1.00 0.00 C ATOM 0 H LEU A 731 10.868 5.618 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 731 11.272 7.791 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 731 10.196 5.000 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.993 5.625 0.768 1.00 0.00 H new ATOM 0 HG LEU A 731 8.603 6.801 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 731 7.457 6.372 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 731 8.090 4.878 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.942 5.629 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.594 8.518 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 731 10.135 7.876 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 731 10.062 8.609 0.121 1.00 0.00 H new ATOM 236 N LYS A 732 13.681 7.358 -0.602 1.00 0.00 N ATOM 237 CA LYS A 732 15.126 7.155 -0.517 1.00 0.00 C ATOM 238 C LYS A 732 15.541 6.709 0.883 1.00 0.00 C ATOM 239 O LYS A 732 15.789 7.538 1.763 1.00 0.00 O ATOM 240 CB LYS A 732 15.852 8.452 -0.880 1.00 0.00 C ATOM 241 CG LYS A 732 15.531 8.975 -2.274 1.00 0.00 C ATOM 242 CD LYS A 732 16.201 8.154 -3.366 1.00 0.00 C ATOM 243 CE LYS A 732 17.717 8.271 -3.300 1.00 0.00 C ATOM 244 NZ LYS A 732 18.382 7.607 -4.452 1.00 0.00 N ATOM 0 H LYS A 732 13.391 8.332 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 732 15.400 6.369 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.594 9.217 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.927 8.288 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.451 8.964 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.853 10.013 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.911 7.108 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.851 8.490 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.998 9.324 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 732 18.074 7.826 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.337 7.303 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.826 6.778 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 18.449 8.275 -5.246 1.00 0.00 H new ATOM 258 N LEU A 733 15.624 5.402 1.081 1.00 0.00 N ATOM 259 CA LEU A 733 15.977 4.843 2.383 1.00 0.00 C ATOM 260 C LEU A 733 17.385 4.271 2.380 1.00 0.00 C ATOM 261 O LEU A 733 17.971 4.028 1.324 1.00 0.00 O ATOM 262 CB LEU A 733 14.997 3.748 2.792 1.00 0.00 C ATOM 263 CG LEU A 733 13.597 4.212 3.204 1.00 0.00 C ATOM 264 CD1 LEU A 733 13.521 5.717 3.416 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.594 3.762 2.182 1.00 0.00 C ATOM 0 H LEU A 733 15.452 4.705 0.357 1.00 0.00 H new ATOM 0 HA LEU A 733 15.928 5.661 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.896 3.051 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.432 3.192 3.623 1.00 0.00 H new ATOM 0 HG LEU A 733 13.364 3.754 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 733 12.507 5.993 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 733 14.216 6.009 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 733 13.785 6.229 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.599 4.094 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.846 4.191 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 733 12.608 2.674 2.113 1.00 0.00 H new ATOM 277 N CYS A 734 17.911 4.054 3.574 1.00 0.00 N ATOM 278 CA CYS A 734 19.227 3.466 3.749 1.00 0.00 C ATOM 279 C CYS A 734 19.111 2.089 4.389 1.00 0.00 C ATOM 280 O CYS A 734 18.012 1.555 4.556 1.00 0.00 O ATOM 281 CB CYS A 734 20.103 4.384 4.601 1.00 0.00 C ATOM 282 SG CYS A 734 20.311 6.041 3.910 1.00 0.00 S ATOM 0 H CYS A 734 17.437 4.281 4.448 1.00 0.00 H new ATOM 0 HA CYS A 734 19.694 3.350 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.666 4.468 5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 734 21.084 3.925 4.722 1.00 0.00 H new ATOM 0 HG CYS A 734 21.064 6.749 4.698 1.00 0.00 H new ATOM 288 N LEU A 735 20.248 1.513 4.722 1.00 0.00 N ATOM 289 CA LEU A 735 20.296 0.196 5.326 1.00 0.00 C ATOM 290 C LEU A 735 19.583 0.216 6.673 1.00 0.00 C ATOM 291 O LEU A 735 19.854 1.067 7.520 1.00 0.00 O ATOM 292 CB LEU A 735 21.746 -0.217 5.502 1.00 0.00 C ATOM 293 CG LEU A 735 22.040 -1.718 5.553 1.00 0.00 C ATOM 294 CD1 LEU A 735 23.535 -1.959 5.528 1.00 0.00 C ATOM 295 CD2 LEU A 735 21.428 -2.361 6.777 1.00 0.00 C ATOM 0 H LEU A 735 21.163 1.943 4.582 1.00 0.00 H new ATOM 0 HA LEU A 735 19.793 -0.523 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 735 22.322 0.213 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 735 22.117 0.232 6.423 1.00 0.00 H new ATOM 0 HG LEU A 735 21.588 -2.177 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 735 23.731 -3.031 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 735 23.955 -1.544 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 735 23.996 -1.476 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 735 21.657 -3.427 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 735 21.838 -1.899 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 735 20.347 -2.222 6.759 1.00 0.00 H new ATOM 307 N GLY A 736 18.657 -0.710 6.857 1.00 0.00 N ATOM 308 CA GLY A 736 17.966 -0.811 8.133 1.00 0.00 C ATOM 309 C GLY A 736 16.762 0.099 8.219 1.00 0.00 C ATOM 310 O GLY A 736 16.130 0.205 9.269 1.00 0.00 O ATOM 0 H GLY A 736 18.370 -1.391 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.649 -1.842 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.660 -0.566 8.937 1.00 0.00 H new ATOM 314 N ASP A 737 16.453 0.762 7.119 1.00 0.00 N ATOM 315 CA ASP A 737 15.302 1.661 7.071 1.00 0.00 C ATOM 316 C ASP A 737 13.997 0.923 6.773 1.00 0.00 C ATOM 317 O ASP A 737 13.990 -0.147 6.156 1.00 0.00 O ATOM 318 CB ASP A 737 15.504 2.735 6.003 1.00 0.00 C ATOM 319 CG ASP A 737 15.771 4.108 6.580 1.00 0.00 C ATOM 320 OD1 ASP A 737 14.906 4.629 7.315 1.00 0.00 O ATOM 321 OD2 ASP A 737 16.834 4.689 6.278 1.00 0.00 O ATOM 0 H ASP A 737 16.978 0.699 6.247 1.00 0.00 H new ATOM 0 HA ASP A 737 15.226 2.115 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.338 2.449 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.618 2.780 5.370 1.00 0.00 H new ATOM 326 N HIS A 738 12.900 1.509 7.242 1.00 0.00 N ATOM 327 CA HIS A 738 11.556 1.120 6.838 1.00 0.00 C ATOM 328 C HIS A 738 10.925 2.340 6.185 1.00 0.00 C ATOM 329 O HIS A 738 11.519 3.417 6.222 1.00 0.00 O ATOM 330 CB HIS A 738 10.721 0.637 8.037 1.00 0.00 C ATOM 331 CG HIS A 738 10.365 1.692 9.043 1.00 0.00 C ATOM 332 ND1 HIS A 738 11.168 2.008 10.116 1.00 0.00 N ATOM 333 CD2 HIS A 738 9.268 2.483 9.151 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.583 2.940 10.840 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.429 3.248 10.279 1.00 0.00 N ATOM 0 H HIS A 738 12.920 2.273 7.918 1.00 0.00 H new ATOM 0 HA HIS A 738 11.594 0.282 6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.799 0.193 7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.272 -0.154 8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.426 2.506 8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.982 3.379 11.743 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.766 3.941 10.627 1.00 0.00 H new ATOM 344 N SER A 739 9.746 2.223 5.605 1.00 0.00 N ATOM 345 CA SER A 739 9.231 3.361 4.854 1.00 0.00 C ATOM 346 C SER A 739 7.821 3.754 5.272 1.00 0.00 C ATOM 347 O SER A 739 7.179 3.080 6.077 1.00 0.00 O ATOM 348 CB SER A 739 9.310 3.114 3.344 1.00 0.00 C ATOM 349 OG SER A 739 8.315 2.225 2.894 1.00 0.00 O ATOM 0 H SER A 739 9.148 1.397 5.632 1.00 0.00 H new ATOM 0 HA SER A 739 9.875 4.206 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 739 9.211 4.063 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 739 10.292 2.712 3.095 1.00 0.00 H new ATOM 0 HG SER A 739 8.494 1.328 3.246 1.00 0.00 H new ATOM 355 N SER A 740 7.365 4.859 4.709 1.00 0.00 N ATOM 356 CA SER A 740 6.113 5.481 5.088 1.00 0.00 C ATOM 357 C SER A 740 5.448 6.097 3.861 1.00 0.00 C ATOM 358 O SER A 740 5.866 7.148 3.370 1.00 0.00 O ATOM 359 CB SER A 740 6.364 6.540 6.165 1.00 0.00 C ATOM 360 OG SER A 740 7.467 7.368 5.822 1.00 0.00 O ATOM 0 H SER A 740 7.861 5.354 3.968 1.00 0.00 H new ATOM 0 HA SER A 740 5.442 4.727 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 740 5.471 7.152 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 740 6.555 6.053 7.121 1.00 0.00 H new ATOM 0 HG SER A 740 7.405 7.620 4.877 1.00 0.00 H new ATOM 366 N VAL A 741 4.431 5.430 3.364 1.00 0.00 N ATOM 367 CA VAL A 741 3.733 5.872 2.172 1.00 0.00 C ATOM 368 C VAL A 741 2.263 6.111 2.480 1.00 0.00 C ATOM 369 O VAL A 741 1.535 5.198 2.862 1.00 0.00 O ATOM 370 CB VAL A 741 3.898 4.859 1.017 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.921 3.438 1.549 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.793 5.018 -0.021 1.00 0.00 C ATOM 0 H VAL A 741 4.064 4.570 3.770 1.00 0.00 H new ATOM 0 HA VAL A 741 4.177 6.813 1.848 1.00 0.00 H new ATOM 0 HB VAL A 741 4.851 5.065 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 741 4.038 2.741 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.755 3.322 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.986 3.229 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.937 4.291 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.824 4.851 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.826 6.025 -0.436 1.00 0.00 H new ATOM 382 N PRO A 742 1.819 7.359 2.342 1.00 0.00 N ATOM 383 CA PRO A 742 0.440 7.720 2.591 1.00 0.00 C ATOM 384 C PRO A 742 -0.458 7.318 1.437 1.00 0.00 C ATOM 385 O PRO A 742 -0.087 7.464 0.277 1.00 0.00 O ATOM 386 CB PRO A 742 0.473 9.243 2.763 1.00 0.00 C ATOM 387 CG PRO A 742 1.834 9.703 2.329 1.00 0.00 C ATOM 388 CD PRO A 742 2.630 8.499 1.915 1.00 0.00 C ATOM 0 HA PRO A 742 0.033 7.210 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -0.304 9.716 2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.285 9.518 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 742 1.751 10.406 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.335 10.228 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.798 8.485 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.611 8.489 2.391 1.00 0.00 H new ATOM 396 N VAL A 743 -1.619 6.773 1.756 1.00 0.00 N ATOM 397 CA VAL A 743 -2.585 6.401 0.740 1.00 0.00 C ATOM 398 C VAL A 743 -3.976 6.932 1.047 1.00 0.00 C ATOM 399 O VAL A 743 -4.572 6.613 2.073 1.00 0.00 O ATOM 400 CB VAL A 743 -2.671 4.882 0.548 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.767 4.178 1.874 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.839 4.523 -0.353 1.00 0.00 C ATOM 0 H VAL A 743 -1.915 6.578 2.713 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.223 6.857 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.756 4.545 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.827 3.102 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.884 4.406 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.659 4.515 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.883 3.441 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.767 4.875 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.706 4.995 -1.327 1.00 0.00 H new ATOM 412 N ALA A 744 -4.484 7.748 0.153 1.00 0.00 N ATOM 413 CA ALA A 744 -5.872 8.134 0.189 1.00 0.00 C ATOM 414 C ALA A 744 -6.710 7.015 -0.387 1.00 0.00 C ATOM 415 O ALA A 744 -6.884 6.881 -1.601 1.00 0.00 O ATOM 416 CB ALA A 744 -6.096 9.441 -0.535 1.00 0.00 C ATOM 0 H ALA A 744 -3.951 8.159 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.176 8.301 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.153 9.705 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.505 10.225 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.792 9.337 -1.577 1.00 0.00 H new ATOM 422 N LEU A 745 -7.195 6.199 0.519 1.00 0.00 N ATOM 423 CA LEU A 745 -7.904 4.988 0.188 1.00 0.00 C ATOM 424 C LEU A 745 -9.317 5.307 -0.267 1.00 0.00 C ATOM 425 O LEU A 745 -9.958 6.209 0.263 1.00 0.00 O ATOM 426 CB LEU A 745 -7.912 4.092 1.420 1.00 0.00 C ATOM 427 CG LEU A 745 -6.533 3.921 2.068 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.636 3.877 3.570 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.849 2.670 1.567 1.00 0.00 C ATOM 0 H LEU A 745 -7.106 6.361 1.522 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.409 4.473 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.600 4.508 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.297 3.111 1.142 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.934 4.787 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.642 3.755 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.076 4.806 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.265 3.038 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.873 2.573 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.459 1.800 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.721 2.733 0.486 1.00 0.00 H new ATOM 441 N LYS A 746 -9.795 4.566 -1.245 1.00 0.00 N ATOM 442 CA LYS A 746 -11.095 4.826 -1.819 1.00 0.00 C ATOM 443 C LYS A 746 -12.130 3.873 -1.249 1.00 0.00 C ATOM 444 O LYS A 746 -11.801 2.826 -0.693 1.00 0.00 O ATOM 445 CB LYS A 746 -11.052 4.703 -3.329 1.00 0.00 C ATOM 446 CG LYS A 746 -12.157 5.490 -4.017 1.00 0.00 C ATOM 447 CD LYS A 746 -12.036 5.451 -5.524 1.00 0.00 C ATOM 448 CE LYS A 746 -10.755 6.106 -6.006 1.00 0.00 C ATOM 449 NZ LYS A 746 -10.758 6.303 -7.482 1.00 0.00 N ATOM 0 H LYS A 746 -9.299 3.777 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.378 5.847 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.085 5.053 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -11.135 3.652 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -13.125 5.086 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.127 6.526 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -12.064 4.416 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.892 5.957 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -10.630 7.069 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -9.902 5.489 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -9.867 6.753 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -10.852 5.382 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -11.557 6.912 -7.749 1.00 0.00 H new ATOM 463 N GLY A 747 -13.374 4.238 -1.432 1.00 0.00 N ATOM 464 CA GLY A 747 -14.474 3.485 -0.861 1.00 0.00 C ATOM 465 C GLY A 747 -14.858 4.008 0.507 1.00 0.00 C ATOM 466 O GLY A 747 -13.996 4.341 1.312 1.00 0.00 O ATOM 0 H GLY A 747 -13.656 5.055 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.336 3.538 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.195 2.434 -0.784 1.00 0.00 H new ATOM 470 N GLN A 748 -16.148 4.081 0.779 1.00 0.00 N ATOM 471 CA GLN A 748 -16.615 4.669 2.027 1.00 0.00 C ATOM 472 C GLN A 748 -17.287 3.626 2.905 1.00 0.00 C ATOM 473 O GLN A 748 -18.367 3.125 2.581 1.00 0.00 O ATOM 474 CB GLN A 748 -17.589 5.824 1.773 1.00 0.00 C ATOM 475 CG GLN A 748 -17.041 6.939 0.889 1.00 0.00 C ATOM 476 CD GLN A 748 -16.992 6.564 -0.581 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.803 5.768 -1.058 1.00 0.00 O ATOM 478 NE2 GLN A 748 -16.042 7.127 -1.306 1.00 0.00 N ATOM 0 H GLN A 748 -16.887 3.745 0.161 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.737 5.058 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.492 5.424 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.883 6.251 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.660 7.828 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -16.038 7.201 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.390 7.781 -0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -15.960 6.908 -2.299 1.00 0.00 H new ATOM 487 N GLY A 749 -16.639 3.301 4.011 1.00 0.00 N ATOM 488 CA GLY A 749 -17.179 2.327 4.931 1.00 0.00 C ATOM 489 C GLY A 749 -16.150 1.313 5.347 1.00 0.00 C ATOM 490 O GLY A 749 -14.973 1.479 5.052 1.00 0.00 O ATOM 0 H GLY A 749 -15.742 3.698 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.563 2.837 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -18.022 1.817 4.465 1.00 0.00 H new ATOM 494 N PRO A 750 -16.562 0.252 6.042 1.00 0.00 N ATOM 495 CA PRO A 750 -15.650 -0.781 6.508 1.00 0.00 C ATOM 496 C PRO A 750 -15.174 -1.670 5.364 1.00 0.00 C ATOM 497 O PRO A 750 -15.830 -2.650 5.002 1.00 0.00 O ATOM 498 CB PRO A 750 -16.484 -1.588 7.514 1.00 0.00 C ATOM 499 CG PRO A 750 -17.767 -0.835 7.677 1.00 0.00 C ATOM 500 CD PRO A 750 -17.940 -0.020 6.435 1.00 0.00 C ATOM 0 HA PRO A 750 -14.745 -0.361 6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.667 -2.598 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.963 -1.683 8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.604 -1.520 7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.733 -0.196 8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.482 -0.567 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.496 0.898 6.626 1.00 0.00 H new ATOM 508 N PHE A 751 -14.030 -1.319 4.799 1.00 0.00 N ATOM 509 CA PHE A 751 -13.472 -2.060 3.682 1.00 0.00 C ATOM 510 C PHE A 751 -12.170 -2.744 4.070 1.00 0.00 C ATOM 511 O PHE A 751 -11.360 -2.182 4.805 1.00 0.00 O ATOM 512 CB PHE A 751 -13.240 -1.125 2.494 1.00 0.00 C ATOM 513 CG PHE A 751 -14.510 -0.670 1.839 1.00 0.00 C ATOM 514 CD1 PHE A 751 -15.060 0.564 2.129 1.00 0.00 C ATOM 515 CD2 PHE A 751 -15.150 -1.482 0.922 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.223 0.975 1.513 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.315 -1.074 0.308 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.850 0.157 0.604 1.00 0.00 C ATOM 0 H PHE A 751 -13.468 -0.522 5.098 1.00 0.00 H new ATOM 0 HA PHE A 751 -14.188 -2.831 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.681 -0.252 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.621 -1.634 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.575 1.212 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.732 -2.449 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.642 1.943 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.806 -1.720 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.761 0.481 0.123 1.00 0.00 H new ATOM 528 N THR A 752 -11.971 -3.957 3.579 1.00 0.00 N ATOM 529 CA THR A 752 -10.742 -4.681 3.847 1.00 0.00 C ATOM 530 C THR A 752 -9.741 -4.394 2.750 1.00 0.00 C ATOM 531 O THR A 752 -9.870 -4.880 1.630 1.00 0.00 O ATOM 532 CB THR A 752 -10.970 -6.201 3.996 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.902 -6.453 5.055 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.663 -6.916 4.292 1.00 0.00 C ATOM 0 H THR A 752 -12.642 -4.457 2.996 1.00 0.00 H new ATOM 0 HA THR A 752 -10.351 -4.333 4.803 1.00 0.00 H new ATOM 0 HB THR A 752 -11.372 -6.580 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.815 -6.306 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.848 -7.985 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.961 -6.745 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.240 -6.532 5.220 1.00 0.00 H new ATOM 542 N LEU A 753 -8.761 -3.576 3.083 1.00 0.00 N ATOM 543 CA LEU A 753 -7.820 -3.069 2.115 1.00 0.00 C ATOM 544 C LEU A 753 -6.528 -3.879 2.156 1.00 0.00 C ATOM 545 O LEU A 753 -5.893 -4.000 3.199 1.00 0.00 O ATOM 546 CB LEU A 753 -7.549 -1.600 2.417 1.00 0.00 C ATOM 547 CG LEU A 753 -6.884 -0.796 1.305 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.411 -0.622 1.602 1.00 0.00 C ATOM 549 CD2 LEU A 753 -7.079 -1.440 -0.063 1.00 0.00 C ATOM 0 H LEU A 753 -8.599 -3.247 4.035 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.237 -3.160 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.496 -1.121 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.919 -1.543 3.305 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.364 0.182 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.944 -0.047 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.290 -0.093 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.936 -1.600 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.589 -0.833 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.644 -2.439 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -8.144 -1.509 -0.284 1.00 0.00 H new ATOM 561 N THR A 754 -6.158 -4.439 1.021 1.00 0.00 N ATOM 562 CA THR A 754 -4.971 -5.270 0.920 1.00 0.00 C ATOM 563 C THR A 754 -3.962 -4.653 -0.046 1.00 0.00 C ATOM 564 O THR A 754 -4.344 -4.186 -1.121 1.00 0.00 O ATOM 565 CB THR A 754 -5.351 -6.659 0.413 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.673 -6.987 0.857 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.374 -7.677 0.942 1.00 0.00 C ATOM 0 H THR A 754 -6.669 -4.332 0.145 1.00 0.00 H new ATOM 0 HA THR A 754 -4.522 -5.343 1.911 1.00 0.00 H new ATOM 0 HB THR A 754 -5.323 -6.665 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.916 -7.878 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.648 -8.667 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.369 -7.430 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.397 -7.671 2.032 1.00 0.00 H new ATOM 575 N TYR A 755 -2.684 -4.646 0.323 1.00 0.00 N ATOM 576 CA TYR A 755 -1.652 -4.103 -0.555 1.00 0.00 C ATOM 577 C TYR A 755 -0.351 -4.903 -0.470 1.00 0.00 C ATOM 578 O TYR A 755 -0.069 -5.545 0.547 1.00 0.00 O ATOM 579 CB TYR A 755 -1.400 -2.623 -0.243 1.00 0.00 C ATOM 580 CG TYR A 755 -1.122 -2.312 1.214 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.106 -2.604 1.794 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.088 -1.702 2.002 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.362 -2.296 3.115 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.842 -1.393 3.326 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.613 -1.693 3.877 1.00 0.00 C ATOM 586 OH TYR A 755 -0.352 -1.379 5.192 1.00 0.00 O ATOM 0 H TYR A 755 -2.341 -5.006 1.214 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.018 -4.186 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.554 -2.281 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.269 -2.047 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.873 -3.080 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.050 -1.464 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.324 -2.527 3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.606 -0.920 3.925 1.00 0.00 H new ATOM 0 HH TYR A 755 0.280 -2.029 5.564 1.00 0.00 H new ATOM 596 N ASP A 756 0.429 -4.862 -1.548 1.00 0.00 N ATOM 597 CA ASP A 756 1.686 -5.596 -1.633 1.00 0.00 C ATOM 598 C ASP A 756 2.875 -4.664 -1.825 1.00 0.00 C ATOM 599 O ASP A 756 2.959 -3.930 -2.805 1.00 0.00 O ATOM 600 CB ASP A 756 1.653 -6.634 -2.775 1.00 0.00 C ATOM 601 CG ASP A 756 1.267 -6.070 -4.139 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.299 -5.290 -4.228 1.00 0.00 O ATOM 603 OD2 ASP A 756 1.901 -6.452 -5.142 1.00 0.00 O ATOM 0 H ASP A 756 0.207 -4.321 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 756 1.807 -6.117 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 756 2.636 -7.098 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 756 0.948 -7.423 -2.511 1.00 0.00 H new ATOM 608 N ILE A 757 3.787 -4.699 -0.865 1.00 0.00 N ATOM 609 CA ILE A 757 5.091 -4.086 -1.020 1.00 0.00 C ATOM 610 C ILE A 757 6.019 -5.131 -1.613 1.00 0.00 C ATOM 611 O ILE A 757 6.564 -5.974 -0.904 1.00 0.00 O ATOM 612 CB ILE A 757 5.677 -3.573 0.320 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.880 -2.392 0.847 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.119 -3.158 0.137 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.645 -2.775 1.629 1.00 0.00 C ATOM 0 H ILE A 757 3.642 -5.151 0.038 1.00 0.00 H new ATOM 0 HA ILE A 757 4.991 -3.215 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 757 5.619 -4.388 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.526 -1.788 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.584 -1.764 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.518 -2.800 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.703 -4.013 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.177 -2.361 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.135 -1.873 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.975 -3.352 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.932 -3.376 2.492 1.00 0.00 H new ATOM 627 N ILE A 758 6.176 -5.091 -2.914 1.00 0.00 N ATOM 628 CA ILE A 758 6.835 -6.167 -3.621 1.00 0.00 C ATOM 629 C ILE A 758 8.255 -5.807 -4.032 1.00 0.00 C ATOM 630 O ILE A 758 8.569 -4.646 -4.278 1.00 0.00 O ATOM 631 CB ILE A 758 6.005 -6.570 -4.852 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.744 -5.363 -5.745 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.693 -7.185 -4.414 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.720 -5.252 -6.897 1.00 0.00 C ATOM 0 H ILE A 758 5.857 -4.325 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 758 6.908 -7.012 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 758 6.571 -7.305 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.730 -5.424 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 758 5.797 -4.456 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.112 -7.467 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.890 -8.070 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.131 -6.461 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.480 -4.372 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.734 -5.160 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.650 -6.144 -7.520 1.00 0.00 H new ATOM 646 N GLU A 759 9.111 -6.816 -4.096 1.00 0.00 N ATOM 647 CA GLU A 759 10.484 -6.627 -4.506 1.00 0.00 C ATOM 648 C GLU A 759 10.597 -6.727 -6.008 1.00 0.00 C ATOM 649 O GLU A 759 10.199 -7.729 -6.596 1.00 0.00 O ATOM 650 CB GLU A 759 11.387 -7.688 -3.900 1.00 0.00 C ATOM 651 CG GLU A 759 11.332 -7.778 -2.397 1.00 0.00 C ATOM 652 CD GLU A 759 12.631 -8.303 -1.827 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.175 -9.263 -2.409 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.109 -7.774 -0.799 1.00 0.00 O ATOM 0 H GLU A 759 8.871 -7.780 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 759 10.793 -5.640 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.117 -8.658 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.415 -7.486 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 759 11.122 -6.793 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 759 10.512 -8.432 -2.100 1.00 0.00 H new ATOM 661 N THR A 760 11.133 -5.700 -6.627 1.00 0.00 N ATOM 662 CA THR A 760 11.369 -5.746 -8.054 1.00 0.00 C ATOM 663 C THR A 760 12.810 -6.152 -8.339 1.00 0.00 C ATOM 664 O THR A 760 13.196 -6.356 -9.489 1.00 0.00 O ATOM 665 CB THR A 760 11.007 -4.404 -8.728 1.00 0.00 C ATOM 666 OG1 THR A 760 11.635 -4.275 -10.010 1.00 0.00 O ATOM 667 CG2 THR A 760 11.366 -3.227 -7.842 1.00 0.00 C ATOM 0 H THR A 760 11.412 -4.831 -6.172 1.00 0.00 H new ATOM 0 HA THR A 760 10.715 -6.503 -8.487 1.00 0.00 H new ATOM 0 HB THR A 760 9.927 -4.401 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.149 -5.086 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.099 -2.298 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.820 -3.300 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.437 -3.236 -7.642 1.00 0.00 H new ATOM 739 N ARG A 765 8.614 -10.310 -1.666 1.00 0.00 N ATOM 740 CA ARG A 765 7.396 -9.509 -1.579 1.00 0.00 C ATOM 741 C ARG A 765 6.780 -9.561 -0.185 1.00 0.00 C ATOM 742 O ARG A 765 6.849 -10.580 0.507 1.00 0.00 O ATOM 743 CB ARG A 765 6.355 -10.018 -2.575 1.00 0.00 C ATOM 744 CG ARG A 765 6.802 -10.000 -4.025 1.00 0.00 C ATOM 745 CD ARG A 765 5.693 -10.507 -4.935 1.00 0.00 C ATOM 746 NE ARG A 765 5.330 -11.887 -4.621 1.00 0.00 N ATOM 747 CZ ARG A 765 4.121 -12.413 -4.817 1.00 0.00 C ATOM 748 NH1 ARG A 765 3.139 -11.678 -5.333 1.00 0.00 N ATOM 749 NH2 ARG A 765 3.897 -13.680 -4.496 1.00 0.00 N ATOM 0 HA ARG A 765 7.678 -8.481 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.083 -11.039 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.454 -9.412 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 765 7.080 -8.986 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 765 7.690 -10.621 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 765 4.816 -9.867 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 765 6.016 -10.442 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 765 6.051 -12.489 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 765 3.308 -10.703 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 765 2.217 -12.089 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 765 4.648 -14.247 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 765 2.974 -14.088 -4.644 1.00 0.00 H new ATOM 763 N LYS A 766 6.158 -8.467 0.203 1.00 0.00 N ATOM 764 CA LYS A 766 5.445 -8.391 1.452 1.00 0.00 C ATOM 765 C LYS A 766 4.022 -7.954 1.163 1.00 0.00 C ATOM 766 O LYS A 766 3.778 -7.200 0.236 1.00 0.00 O ATOM 767 CB LYS A 766 6.131 -7.406 2.403 1.00 0.00 C ATOM 768 CG LYS A 766 5.919 -7.733 3.877 1.00 0.00 C ATOM 769 CD LYS A 766 4.537 -7.348 4.382 1.00 0.00 C ATOM 770 CE LYS A 766 4.293 -7.916 5.768 1.00 0.00 C ATOM 771 NZ LYS A 766 2.920 -7.634 6.261 1.00 0.00 N ATOM 0 H LYS A 766 6.135 -7.606 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 766 5.440 -9.367 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.200 -7.395 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.757 -6.402 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 766 6.071 -8.801 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.673 -7.215 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.443 -6.262 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.777 -7.718 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 766 4.456 -8.994 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 766 5.020 -7.495 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 2.785 -8.085 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 2.788 -6.606 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 2.224 -8.013 5.587 1.00 0.00 H new ATOM 785 N THR A 767 3.090 -8.456 1.926 1.00 0.00 N ATOM 786 CA THR A 767 1.693 -8.119 1.740 1.00 0.00 C ATOM 787 C THR A 767 1.049 -7.775 3.079 1.00 0.00 C ATOM 788 O THR A 767 1.377 -8.380 4.099 1.00 0.00 O ATOM 789 CB THR A 767 0.955 -9.293 1.076 1.00 0.00 C ATOM 790 OG1 THR A 767 1.584 -9.610 -0.174 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.516 -8.972 0.838 1.00 0.00 C ATOM 0 H THR A 767 3.269 -9.106 2.691 1.00 0.00 H new ATOM 0 HA THR A 767 1.623 -7.247 1.090 1.00 0.00 H new ATOM 0 HB THR A 767 1.008 -10.147 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.114 -10.359 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.003 -9.826 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.000 -8.757 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.598 -8.103 0.186 1.00 0.00 H new ATOM 799 N PHE A 768 0.169 -6.785 3.090 1.00 0.00 N ATOM 800 CA PHE A 768 -0.535 -6.428 4.306 1.00 0.00 C ATOM 801 C PHE A 768 -2.006 -6.188 4.022 1.00 0.00 C ATOM 802 O PHE A 768 -2.371 -5.632 2.983 1.00 0.00 O ATOM 803 CB PHE A 768 0.079 -5.189 4.951 1.00 0.00 C ATOM 804 CG PHE A 768 -0.182 -5.110 6.427 1.00 0.00 C ATOM 805 CD1 PHE A 768 0.111 -6.188 7.242 1.00 0.00 C ATOM 806 CD2 PHE A 768 -0.715 -3.967 6.998 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.121 -6.130 8.603 1.00 0.00 C ATOM 808 CE2 PHE A 768 -0.950 -3.902 8.359 1.00 0.00 C ATOM 809 CZ PHE A 768 -0.653 -4.986 9.162 1.00 0.00 C ATOM 0 H PHE A 768 -0.071 -6.220 2.276 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.441 -7.262 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.155 -5.190 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.321 -4.298 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 768 0.526 -7.086 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 768 -0.950 -3.117 6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 768 0.114 -6.979 9.228 1.00 0.00 H new ATOM 0 HE2 PHE A 768 -1.365 -3.005 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 768 -0.837 -4.938 10.225 1.00 0.00 H new ATOM 819 N GLU A 769 -2.836 -6.622 4.950 1.00 0.00 N ATOM 820 CA GLU A 769 -4.272 -6.490 4.834 1.00 0.00 C ATOM 821 C GLU A 769 -4.845 -5.801 6.065 1.00 0.00 C ATOM 822 O GLU A 769 -4.672 -6.274 7.191 1.00 0.00 O ATOM 823 CB GLU A 769 -4.872 -7.879 4.669 1.00 0.00 C ATOM 824 CG GLU A 769 -6.390 -7.911 4.633 1.00 0.00 C ATOM 825 CD GLU A 769 -6.925 -9.323 4.553 1.00 0.00 C ATOM 826 OE1 GLU A 769 -7.491 -9.692 3.504 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.762 -10.079 5.534 1.00 0.00 O ATOM 0 H GLU A 769 -2.530 -7.078 5.809 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.519 -5.877 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.490 -8.318 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.528 -8.509 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.784 -7.424 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.744 -7.340 3.775 1.00 0.00 H new ATOM 834 N ILE A 770 -5.507 -4.679 5.847 1.00 0.00 N ATOM 835 CA ILE A 770 -6.128 -3.929 6.917 1.00 0.00 C ATOM 836 C ILE A 770 -7.635 -3.925 6.718 1.00 0.00 C ATOM 837 O ILE A 770 -8.143 -3.349 5.761 1.00 0.00 O ATOM 838 CB ILE A 770 -5.582 -2.490 6.944 1.00 0.00 C ATOM 839 CG1 ILE A 770 -4.088 -2.511 7.239 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.305 -1.646 7.978 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.328 -1.461 6.482 1.00 0.00 C ATOM 0 H ILE A 770 -5.628 -4.265 4.923 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.896 -4.399 7.873 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.753 -2.042 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.932 -2.366 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.687 -3.493 6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.897 -0.635 7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.368 -1.609 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -6.170 -2.087 8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.269 -1.526 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.457 -1.620 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.705 -0.474 6.751 1.00 0.00 H new ATOM 853 N LYS A 771 -8.340 -4.609 7.595 1.00 0.00 N ATOM 854 CA LYS A 771 -9.773 -4.741 7.478 1.00 0.00 C ATOM 855 C LYS A 771 -10.488 -3.556 8.075 1.00 0.00 C ATOM 856 O LYS A 771 -10.022 -2.935 9.037 1.00 0.00 O ATOM 857 CB LYS A 771 -10.230 -6.023 8.143 1.00 0.00 C ATOM 858 CG LYS A 771 -9.130 -7.063 8.220 1.00 0.00 C ATOM 859 CD LYS A 771 -9.672 -8.451 8.481 1.00 0.00 C ATOM 860 CE LYS A 771 -10.406 -8.994 7.265 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.912 -10.373 7.492 1.00 0.00 N ATOM 0 H LYS A 771 -7.938 -5.085 8.402 1.00 0.00 H new ATOM 0 HA LYS A 771 -10.023 -4.777 6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.585 -5.800 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -11.075 -6.433 7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.568 -7.064 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.432 -6.793 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.853 -9.120 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.348 -8.425 9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -11.241 -8.337 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.736 -8.990 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -11.406 -10.706 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -10.113 -11.006 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.571 -10.373 8.296 1.00 0.00 H new ATOM 875 N GLU A 772 -11.621 -3.270 7.474 1.00 0.00 N ATOM 876 CA GLU A 772 -12.532 -2.231 7.921 1.00 0.00 C ATOM 877 C GLU A 772 -11.870 -0.864 7.981 1.00 0.00 C ATOM 878 O GLU A 772 -12.006 -0.149 8.976 1.00 0.00 O ATOM 879 CB GLU A 772 -13.101 -2.596 9.280 1.00 0.00 C ATOM 880 CG GLU A 772 -13.458 -4.062 9.358 1.00 0.00 C ATOM 881 CD GLU A 772 -14.390 -4.393 10.506 1.00 0.00 C ATOM 882 OE1 GLU A 772 -13.927 -4.986 11.504 1.00 0.00 O ATOM 883 OE2 GLU A 772 -15.592 -4.064 10.415 1.00 0.00 O ATOM 0 H GLU A 772 -11.945 -3.762 6.642 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.336 -2.165 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.374 -2.356 10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.988 -1.994 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.925 -4.365 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.544 -4.646 9.462 1.00 0.00 H new ATOM 890 N ILE A 773 -11.154 -0.490 6.928 1.00 0.00 N ATOM 891 CA ILE A 773 -10.582 0.837 6.882 1.00 0.00 C ATOM 892 C ILE A 773 -11.696 1.825 6.569 1.00 0.00 C ATOM 893 O ILE A 773 -12.387 1.713 5.562 1.00 0.00 O ATOM 894 CB ILE A 773 -9.375 0.963 5.886 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.773 1.514 4.511 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.677 -0.379 5.704 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.806 3.033 4.440 1.00 0.00 C ATOM 0 H ILE A 773 -10.962 -1.076 6.115 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.149 1.064 7.856 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.694 1.682 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.072 1.141 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.757 1.127 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.845 -0.265 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.302 -0.727 6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.385 -1.106 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.096 3.344 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.528 3.415 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.817 3.430 4.672 1.00 0.00 H new ATOM 909 N LYS A 774 -11.909 2.742 7.487 1.00 0.00 N ATOM 910 CA LYS A 774 -12.937 3.755 7.345 1.00 0.00 C ATOM 911 C LYS A 774 -12.257 5.113 7.323 1.00 0.00 C ATOM 912 O LYS A 774 -12.785 6.117 7.805 1.00 0.00 O ATOM 913 CB LYS A 774 -13.923 3.644 8.508 1.00 0.00 C ATOM 914 CG LYS A 774 -14.398 2.219 8.748 1.00 0.00 C ATOM 915 CD LYS A 774 -15.261 2.109 9.990 1.00 0.00 C ATOM 916 CE LYS A 774 -15.532 0.655 10.340 1.00 0.00 C ATOM 917 NZ LYS A 774 -16.347 0.525 11.575 1.00 0.00 N ATOM 0 H LYS A 774 -11.375 2.808 8.354 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.498 3.620 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.451 4.022 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.785 4.280 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.963 1.875 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.535 1.561 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.765 2.601 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -16.205 2.630 9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -16.050 0.173 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.585 0.131 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -16.510 -0.482 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.842 0.963 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -17.261 1.003 11.440 1.00 0.00 H new ATOM 931 N THR A 775 -11.061 5.106 6.754 1.00 0.00 N ATOM 932 CA THR A 775 -10.177 6.257 6.765 1.00 0.00 C ATOM 933 C THR A 775 -10.304 7.097 5.496 1.00 0.00 C ATOM 934 O THR A 775 -10.826 8.210 5.531 1.00 0.00 O ATOM 935 CB THR A 775 -8.725 5.783 6.867 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.661 4.582 7.645 1.00 0.00 O ATOM 937 CG2 THR A 775 -7.848 6.852 7.499 1.00 0.00 C ATOM 0 H THR A 775 -10.676 4.295 6.269 1.00 0.00 H new ATOM 0 HA THR A 775 -10.461 6.870 7.621 1.00 0.00 H new ATOM 0 HB THR A 775 -8.356 5.586 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.730 4.281 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.821 6.491 7.560 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.879 7.755 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.214 7.077 8.501 1.00 0.00 H new ATOM 945 N ASN A 776 -9.777 6.543 4.396 1.00 0.00 N ATOM 946 CA ASN A 776 -9.770 7.170 3.068 1.00 0.00 C ATOM 947 C ASN A 776 -8.571 8.085 2.907 1.00 0.00 C ATOM 948 O ASN A 776 -8.409 8.738 1.883 1.00 0.00 O ATOM 949 CB ASN A 776 -11.074 7.911 2.763 1.00 0.00 C ATOM 950 CG ASN A 776 -12.281 6.990 2.732 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.409 7.416 2.985 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.054 5.716 2.452 1.00 0.00 N ATOM 0 H ASN A 776 -9.333 5.625 4.405 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.689 6.365 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.232 8.684 3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -10.983 8.416 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.827 5.051 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.106 5.400 2.247 1.00 0.00 H new ATOM 959 N GLU A 777 -7.730 8.096 3.929 1.00 0.00 N ATOM 960 CA GLU A 777 -6.443 8.777 3.908 1.00 0.00 C ATOM 961 C GLU A 777 -5.576 8.221 5.027 1.00 0.00 C ATOM 962 O GLU A 777 -5.587 8.735 6.143 1.00 0.00 O ATOM 963 CB GLU A 777 -6.614 10.282 4.076 1.00 0.00 C ATOM 964 CG GLU A 777 -6.735 11.030 2.762 1.00 0.00 C ATOM 965 CD GLU A 777 -6.602 12.526 2.921 1.00 0.00 C ATOM 966 OE1 GLU A 777 -7.620 13.192 3.205 1.00 0.00 O ATOM 967 OE2 GLU A 777 -5.475 13.046 2.764 1.00 0.00 O ATOM 0 H GLU A 777 -7.925 7.624 4.812 1.00 0.00 H new ATOM 0 HA GLU A 777 -5.966 8.604 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.503 10.473 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.763 10.676 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -5.967 10.673 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.700 10.803 2.308 1.00 0.00 H new ATOM 974 N TYR A 778 -4.838 7.169 4.733 1.00 0.00 N ATOM 975 CA TYR A 778 -4.104 6.450 5.769 1.00 0.00 C ATOM 976 C TYR A 778 -2.623 6.390 5.437 1.00 0.00 C ATOM 977 O TYR A 778 -2.239 6.001 4.338 1.00 0.00 O ATOM 978 CB TYR A 778 -4.689 5.048 5.974 1.00 0.00 C ATOM 979 CG TYR A 778 -3.806 4.120 6.782 1.00 0.00 C ATOM 980 CD1 TYR A 778 -3.703 4.254 8.161 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.076 3.110 6.165 1.00 0.00 C ATOM 982 CE1 TYR A 778 -2.895 3.413 8.901 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.268 2.265 6.900 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.179 2.421 8.265 1.00 0.00 C ATOM 985 OH TYR A 778 -1.370 1.581 8.996 1.00 0.00 O ATOM 0 H TYR A 778 -4.727 6.790 3.792 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.211 6.995 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.654 5.138 6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -4.875 4.598 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.264 5.029 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.142 2.984 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -2.824 3.532 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.708 1.485 6.406 1.00 0.00 H new ATOM 0 HH TYR A 778 -0.938 0.938 8.395 1.00 0.00 H new ATOM 995 N VAL A 779 -1.790 6.801 6.380 1.00 0.00 N ATOM 996 CA VAL A 779 -0.358 6.790 6.163 1.00 0.00 C ATOM 997 C VAL A 779 0.217 5.425 6.497 1.00 0.00 C ATOM 998 O VAL A 779 0.326 5.047 7.663 1.00 0.00 O ATOM 999 CB VAL A 779 0.370 7.883 6.966 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.818 8.003 6.516 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.341 9.211 6.815 1.00 0.00 C ATOM 0 H VAL A 779 -2.081 7.143 7.296 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.196 7.005 5.107 1.00 0.00 H new ATOM 0 HB VAL A 779 0.359 7.601 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.316 8.781 7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.327 7.052 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.850 8.262 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.186 9.973 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.359 9.496 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.363 9.121 7.184 1.00 0.00 H new ATOM 1011 N ILE A 780 0.554 4.683 5.455 1.00 0.00 N ATOM 1012 CA ILE A 780 1.087 3.342 5.599 1.00 0.00 C ATOM 1013 C ILE A 780 2.540 3.386 6.057 1.00 0.00 C ATOM 1014 O ILE A 780 3.310 4.248 5.639 1.00 0.00 O ATOM 1015 CB ILE A 780 1.011 2.575 4.262 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.427 2.390 3.804 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.696 1.226 4.359 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.503 1.723 2.456 1.00 0.00 C ATOM 0 H ILE A 780 0.465 4.994 4.488 1.00 0.00 H new ATOM 0 HA ILE A 780 0.483 2.828 6.347 1.00 0.00 H new ATOM 0 HB ILE A 780 1.534 3.180 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -0.968 1.791 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -0.922 3.360 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.624 0.712 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.745 1.369 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.211 0.626 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.547 1.609 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 780 0.015 2.335 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.032 0.741 2.509 1.00 0.00 H new ATOM 1030 N LYS A 781 2.903 2.451 6.916 1.00 0.00 N ATOM 1031 CA LYS A 781 4.280 2.302 7.358 1.00 0.00 C ATOM 1032 C LYS A 781 4.758 0.905 7.029 1.00 0.00 C ATOM 1033 O LYS A 781 4.387 -0.065 7.691 1.00 0.00 O ATOM 1034 CB LYS A 781 4.433 2.582 8.857 1.00 0.00 C ATOM 1035 CG LYS A 781 4.842 4.015 9.180 1.00 0.00 C ATOM 1036 CD LYS A 781 3.747 5.018 8.856 1.00 0.00 C ATOM 1037 CE LYS A 781 2.669 5.021 9.924 1.00 0.00 C ATOM 1038 NZ LYS A 781 3.156 5.605 11.201 1.00 0.00 N ATOM 0 H LYS A 781 2.257 1.776 7.326 1.00 0.00 H new ATOM 0 HA LYS A 781 4.891 3.036 6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.489 2.363 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.177 1.901 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 781 5.096 4.088 10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.741 4.269 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 781 4.178 6.015 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 781 3.304 4.777 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.809 5.589 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.328 4.001 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 2.344 5.871 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 3.737 4.904 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 3.729 6.449 11.000 1.00 0.00 H new ATOM 1052 N THR A 782 5.559 0.803 5.986 1.00 0.00 N ATOM 1053 CA THR A 782 6.008 -0.482 5.502 1.00 0.00 C ATOM 1054 C THR A 782 7.080 -1.040 6.426 1.00 0.00 C ATOM 1055 O THR A 782 7.919 -0.283 6.940 1.00 0.00 O ATOM 1056 CB THR A 782 6.588 -0.384 4.082 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.953 0.034 4.158 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.805 0.612 3.231 1.00 0.00 C ATOM 0 H THR A 782 5.912 1.601 5.457 1.00 0.00 H new ATOM 0 HA THR A 782 5.141 -1.142 5.481 1.00 0.00 H new ATOM 0 HB THR A 782 6.516 -1.366 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.527 -0.646 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.240 0.658 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 782 4.766 0.291 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.849 1.599 3.692 1.00 0.00 H new ATOM 1066 N PRO A 783 7.071 -2.371 6.621 1.00 0.00 N ATOM 1067 CA PRO A 783 8.041 -3.069 7.474 1.00 0.00 C ATOM 1068 C PRO A 783 9.476 -2.747 7.085 1.00 0.00 C ATOM 1069 O PRO A 783 9.752 -2.341 5.951 1.00 0.00 O ATOM 1070 CB PRO A 783 7.741 -4.547 7.219 1.00 0.00 C ATOM 1071 CG PRO A 783 6.323 -4.574 6.772 1.00 0.00 C ATOM 1072 CD PRO A 783 6.113 -3.305 6.005 1.00 0.00 C ATOM 0 HA PRO A 783 7.951 -2.778 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.404 -4.960 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.883 -5.141 8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.126 -5.445 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.645 -4.633 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.311 -3.441 4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.088 -2.946 6.095 1.00 0.00 H new ATOM 1080 N VAL A 784 10.386 -2.935 8.026 1.00 0.00 N ATOM 1081 CA VAL A 784 11.775 -2.584 7.815 1.00 0.00 C ATOM 1082 C VAL A 784 12.403 -3.511 6.781 1.00 0.00 C ATOM 1083 O VAL A 784 12.264 -4.733 6.845 1.00 0.00 O ATOM 1084 CB VAL A 784 12.571 -2.617 9.140 1.00 0.00 C ATOM 1085 CG1 VAL A 784 12.671 -4.029 9.686 1.00 0.00 C ATOM 1086 CG2 VAL A 784 13.947 -2.005 8.958 1.00 0.00 C ATOM 0 H VAL A 784 10.184 -3.330 8.945 1.00 0.00 H new ATOM 0 HA VAL A 784 11.813 -1.563 7.435 1.00 0.00 H new ATOM 0 HB VAL A 784 12.028 -2.018 9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 784 13.236 -4.020 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 784 11.670 -4.419 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 784 13.178 -4.665 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 784 14.488 -2.039 9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 784 14.498 -2.567 8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 784 13.845 -0.969 8.636 1.00 0.00 H new ATOM 1096 N PHE A 785 13.074 -2.915 5.812 1.00 0.00 N ATOM 1097 CA PHE A 785 13.633 -3.665 4.702 1.00 0.00 C ATOM 1098 C PHE A 785 14.996 -4.198 5.061 1.00 0.00 C ATOM 1099 O PHE A 785 15.339 -5.326 4.719 1.00 0.00 O ATOM 1100 CB PHE A 785 13.729 -2.786 3.454 1.00 0.00 C ATOM 1101 CG PHE A 785 12.423 -2.163 3.069 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.398 -2.936 2.552 1.00 0.00 C ATOM 1103 CD2 PHE A 785 12.220 -0.803 3.226 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.195 -2.364 2.196 1.00 0.00 C ATOM 1105 CE2 PHE A 785 11.021 -0.227 2.870 1.00 0.00 C ATOM 1106 CZ PHE A 785 10.006 -1.009 2.354 1.00 0.00 C ATOM 0 H PHE A 785 13.245 -1.910 5.771 1.00 0.00 H new ATOM 0 HA PHE A 785 12.971 -4.504 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.462 -1.999 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.097 -3.386 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.542 -3.999 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 785 13.009 -0.188 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.402 -2.977 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.874 0.836 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 785 9.065 -0.558 2.075 1.00 0.00 H new ATOM 1116 N THR A 786 15.761 -3.355 5.755 1.00 0.00 N ATOM 1117 CA THR A 786 17.134 -3.651 6.185 1.00 0.00 C ATOM 1118 C THR A 786 18.056 -3.925 5.005 1.00 0.00 C ATOM 1119 O THR A 786 19.267 -4.053 5.170 1.00 0.00 O ATOM 1120 CB THR A 786 17.206 -4.830 7.192 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.929 -6.084 6.555 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.218 -4.620 8.323 1.00 0.00 C ATOM 0 H THR A 786 15.441 -2.430 6.041 1.00 0.00 H new ATOM 0 HA THR A 786 17.478 -2.752 6.696 1.00 0.00 H new ATOM 0 HB THR A 786 18.221 -4.857 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.515 -5.923 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.281 -5.455 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 786 16.454 -3.693 8.845 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.208 -4.561 7.918 1.00 0.00 H new ATOM 1130 N THR A 787 17.486 -3.958 3.817 1.00 0.00 N ATOM 1131 CA THR A 787 18.216 -4.334 2.631 1.00 0.00 C ATOM 1132 C THR A 787 17.994 -3.328 1.518 1.00 0.00 C ATOM 1133 O THR A 787 16.866 -3.118 1.075 1.00 0.00 O ATOM 1134 CB THR A 787 17.798 -5.726 2.158 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.945 -6.673 3.228 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.629 -6.165 0.964 1.00 0.00 C ATOM 0 H THR A 787 16.507 -3.725 3.651 1.00 0.00 H new ATOM 0 HA THR A 787 19.276 -4.349 2.884 1.00 0.00 H new ATOM 0 HB THR A 787 16.752 -5.684 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.674 -7.562 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.313 -7.158 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.489 -5.460 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.682 -6.192 1.244 1.00 0.00 H new ATOM 1144 N GLY A 788 19.069 -2.664 1.124 1.00 0.00 N ATOM 1145 CA GLY A 788 19.025 -1.809 -0.049 1.00 0.00 C ATOM 1146 C GLY A 788 18.483 -2.522 -1.286 1.00 0.00 C ATOM 1147 O GLY A 788 19.060 -3.503 -1.755 1.00 0.00 O ATOM 0 H GLY A 788 19.973 -2.700 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.403 -0.940 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.028 -1.439 -0.260 1.00 0.00 H new ATOM 1151 N GLY A 789 17.376 -2.015 -1.801 1.00 0.00 N ATOM 1152 CA GLY A 789 16.743 -2.574 -2.977 1.00 0.00 C ATOM 1153 C GLY A 789 15.560 -1.723 -3.383 1.00 0.00 C ATOM 1154 O GLY A 789 15.332 -0.676 -2.783 1.00 0.00 O ATOM 0 H GLY A 789 16.893 -1.204 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.461 -2.627 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.415 -3.593 -2.774 1.00 0.00 H new ATOM 1158 N ASP A 790 14.802 -2.141 -4.379 1.00 0.00 N ATOM 1159 CA ASP A 790 13.641 -1.370 -4.789 1.00 0.00 C ATOM 1160 C ASP A 790 12.372 -2.160 -4.540 1.00 0.00 C ATOM 1161 O ASP A 790 12.263 -3.331 -4.915 1.00 0.00 O ATOM 1162 CB ASP A 790 13.721 -0.953 -6.259 1.00 0.00 C ATOM 1163 CG ASP A 790 14.732 0.147 -6.513 1.00 0.00 C ATOM 1164 OD1 ASP A 790 14.309 1.287 -6.793 1.00 0.00 O ATOM 1165 OD2 ASP A 790 15.953 -0.123 -6.449 1.00 0.00 O ATOM 0 H ASP A 790 14.964 -2.995 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 790 13.625 -0.460 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 790 13.980 -1.822 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 790 12.738 -0.617 -6.589 1.00 0.00 H new ATOM 1170 N TYR A 791 11.426 -1.515 -3.889 1.00 0.00 N ATOM 1171 CA TYR A 791 10.151 -2.126 -3.581 1.00 0.00 C ATOM 1172 C TYR A 791 9.038 -1.308 -4.197 1.00 0.00 C ATOM 1173 O TYR A 791 9.125 -0.088 -4.259 1.00 0.00 O ATOM 1174 CB TYR A 791 9.950 -2.210 -2.067 1.00 0.00 C ATOM 1175 CG TYR A 791 10.984 -3.053 -1.364 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.241 -2.542 -1.075 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.705 -4.361 -0.998 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.195 -3.313 -0.442 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.652 -5.135 -0.361 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.894 -4.609 -0.088 1.00 0.00 C ATOM 1181 OH TYR A 791 13.839 -5.389 0.534 1.00 0.00 O ATOM 0 H TYR A 791 11.520 -0.554 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 791 10.136 -3.135 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.971 -1.203 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.961 -2.619 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.477 -1.525 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.733 -4.779 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.170 -2.903 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.420 -6.151 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 791 13.768 -6.311 0.209 1.00 0.00 H new ATOM 1191 N ILE A 792 8.005 -1.969 -4.663 1.00 0.00 N ATOM 1192 CA ILE A 792 6.873 -1.275 -5.220 1.00 0.00 C ATOM 1193 C ILE A 792 5.628 -1.636 -4.442 1.00 0.00 C ATOM 1194 O ILE A 792 5.204 -2.787 -4.420 1.00 0.00 O ATOM 1195 CB ILE A 792 6.709 -1.597 -6.714 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.862 -0.971 -7.499 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.375 -1.081 -7.225 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.231 -1.727 -8.750 1.00 0.00 C ATOM 0 H ILE A 792 7.927 -2.986 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 792 7.039 -0.201 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 792 6.729 -2.678 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.592 0.050 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.737 -0.909 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.275 -1.317 -8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.565 -1.554 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.326 -0.001 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.056 -1.221 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.533 -2.741 -8.487 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.371 -1.767 -9.418 1.00 0.00 H new ATOM 1210 N LEU A 793 5.081 -0.654 -3.758 1.00 0.00 N ATOM 1211 CA LEU A 793 3.884 -0.856 -2.986 1.00 0.00 C ATOM 1212 C LEU A 793 2.674 -0.657 -3.884 1.00 0.00 C ATOM 1213 O LEU A 793 2.419 0.441 -4.377 1.00 0.00 O ATOM 1214 CB LEU A 793 3.850 0.091 -1.784 1.00 0.00 C ATOM 1215 CG LEU A 793 2.654 -0.067 -0.842 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.117 -1.471 -0.875 1.00 0.00 C ATOM 1217 CD2 LEU A 793 3.020 0.368 0.568 1.00 0.00 C ATOM 0 H LEU A 793 5.452 0.295 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 793 3.868 -1.873 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.764 -0.052 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.864 1.116 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 793 1.855 0.587 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.268 -1.552 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.796 -1.714 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.897 -2.166 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 793 2.156 0.248 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.842 -0.246 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.325 1.414 0.558 1.00 0.00 H new ATOM 1229 N SER A 794 1.949 -1.734 -4.082 1.00 0.00 N ATOM 1230 CA SER A 794 0.827 -1.766 -4.994 1.00 0.00 C ATOM 1231 C SER A 794 -0.414 -2.221 -4.230 1.00 0.00 C ATOM 1232 O SER A 794 -0.294 -2.797 -3.152 1.00 0.00 O ATOM 1233 CB SER A 794 1.138 -2.726 -6.147 1.00 0.00 C ATOM 1234 OG SER A 794 0.147 -2.668 -7.163 1.00 0.00 O ATOM 0 H SER A 794 2.123 -2.621 -3.610 1.00 0.00 H new ATOM 0 HA SER A 794 0.645 -0.775 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.110 -2.479 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.207 -3.744 -5.764 1.00 0.00 H new ATOM 0 HG SER A 794 0.379 -3.292 -7.882 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.602 -1.934 -4.745 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.813 -2.398 -4.119 1.00 0.00 C ATOM 1242 C LEU A 795 -3.183 -3.785 -4.619 1.00 0.00 C ATOM 1243 O LEU A 795 -3.131 -4.055 -5.821 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.934 -1.434 -4.401 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.675 -0.007 -3.944 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -2.884 0.045 -2.643 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -3.013 0.804 -5.035 1.00 0.00 C ATOM 0 H LEU A 795 -1.743 -1.383 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.646 -2.455 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.129 -1.428 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.839 -1.798 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 795 -4.644 0.446 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -2.723 1.084 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -3.441 -0.466 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -1.921 -0.446 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.840 1.820 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -2.061 0.346 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -3.660 0.832 -5.911 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.558 -4.659 -3.697 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.910 -6.026 -4.043 1.00 0.00 C ATOM 1261 C VAL A 796 -5.401 -6.157 -4.286 1.00 0.00 C ATOM 1262 O VAL A 796 -5.828 -6.575 -5.359 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.480 -7.016 -2.937 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.980 -8.425 -3.229 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.976 -7.007 -2.821 1.00 0.00 C ATOM 0 H VAL A 796 -3.626 -4.444 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.375 -6.273 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.924 -6.700 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.661 -9.097 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.069 -8.420 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.569 -8.767 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.667 -7.704 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.536 -7.307 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.637 -6.003 -2.565 1.00 0.00 H new ATOM 1275 N SER A 797 -6.187 -5.754 -3.303 1.00 0.00 N ATOM 1276 CA SER A 797 -7.628 -5.945 -3.339 1.00 0.00 C ATOM 1277 C SER A 797 -8.289 -5.154 -2.217 1.00 0.00 C ATOM 1278 O SER A 797 -7.607 -4.644 -1.328 1.00 0.00 O ATOM 1279 CB SER A 797 -7.961 -7.432 -3.175 1.00 0.00 C ATOM 1280 OG SER A 797 -7.575 -8.192 -4.310 1.00 0.00 O ATOM 0 H SER A 797 -5.848 -5.288 -2.462 1.00 0.00 H new ATOM 0 HA SER A 797 -8.004 -5.591 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.457 -7.821 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 797 -9.032 -7.547 -3.009 1.00 0.00 H new ATOM 0 HG SER A 797 -7.166 -7.601 -4.976 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.605 -5.043 -2.273 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.367 -4.452 -1.186 1.00 0.00 C ATOM 1288 C ILE A 798 -11.659 -5.238 -1.006 1.00 0.00 C ATOM 1289 O ILE A 798 -12.033 -6.013 -1.878 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.684 -2.960 -1.434 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -11.069 -2.275 -0.122 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.812 -2.837 -2.437 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.824 -0.784 -0.116 1.00 0.00 C ATOM 0 H ILE A 798 -10.170 -5.356 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.761 -4.501 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.796 -2.470 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -12.124 -2.461 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.506 -2.729 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.033 -1.784 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.516 -3.304 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.700 -3.335 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -11.122 -0.370 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.765 -0.589 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.409 -0.316 -0.908 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.337 -5.043 0.107 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.515 -5.831 0.415 1.00 0.00 C ATOM 1307 C LYS A 799 -14.627 -4.966 0.967 1.00 0.00 C ATOM 1308 O LYS A 799 -14.457 -4.290 1.977 1.00 0.00 O ATOM 1309 CB LYS A 799 -13.131 -6.884 1.425 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.196 -7.894 1.788 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.656 -8.790 2.883 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.688 -9.763 3.386 1.00 0.00 C ATOM 1313 NZ LYS A 799 -14.098 -10.774 4.299 1.00 0.00 N ATOM 0 H LYS A 799 -12.094 -4.347 0.812 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.884 -6.295 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.266 -7.424 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.813 -6.381 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.100 -7.387 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.470 -8.486 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.794 -9.341 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -13.305 -8.176 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -15.476 -9.219 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -15.155 -10.267 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -14.842 -11.425 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -13.364 -11.311 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -13.675 -10.296 5.120 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.750 -5.000 0.283 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.959 -4.316 0.716 1.00 0.00 C ATOM 1329 C ASP A 800 -17.455 -4.946 2.000 1.00 0.00 C ATOM 1330 O ASP A 800 -17.202 -6.124 2.248 1.00 0.00 O ATOM 1331 CB ASP A 800 -18.034 -4.421 -0.377 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.363 -3.787 0.005 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -20.128 -4.415 0.766 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.662 -2.675 -0.479 1.00 0.00 O ATOM 0 H ASP A 800 -15.855 -5.506 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.742 -3.263 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.663 -3.946 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.198 -5.473 -0.612 1.00 0.00 H new ATOM 1339 N SER A 801 -18.171 -4.153 2.791 1.00 0.00 N ATOM 1340 CA SER A 801 -18.643 -4.548 4.113 1.00 0.00 C ATOM 1341 C SER A 801 -19.538 -5.792 4.081 1.00 0.00 C ATOM 1342 O SER A 801 -19.810 -6.397 5.121 1.00 0.00 O ATOM 1343 CB SER A 801 -19.395 -3.373 4.733 1.00 0.00 C ATOM 1344 OG SER A 801 -20.252 -2.762 3.775 1.00 0.00 O ATOM 0 H SER A 801 -18.443 -3.206 2.528 1.00 0.00 H new ATOM 0 HA SER A 801 -17.774 -4.812 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.981 -3.719 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 801 -18.684 -2.639 5.112 1.00 0.00 H new ATOM 0 HG SER A 801 -20.726 -2.012 4.191 1.00 0.00 H new ATOM 1350 N THR A 802 -19.997 -6.167 2.895 1.00 0.00 N ATOM 1351 CA THR A 802 -20.807 -7.362 2.729 1.00 0.00 C ATOM 1352 C THR A 802 -19.910 -8.561 2.464 1.00 0.00 C ATOM 1353 O THR A 802 -20.364 -9.703 2.404 1.00 0.00 O ATOM 1354 CB THR A 802 -21.798 -7.192 1.564 1.00 0.00 C ATOM 1355 OG1 THR A 802 -21.087 -6.857 0.364 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.807 -6.099 1.875 1.00 0.00 C ATOM 0 H THR A 802 -19.820 -5.656 2.030 1.00 0.00 H new ATOM 0 HA THR A 802 -21.372 -7.524 3.647 1.00 0.00 H new ATOM 0 HB THR A 802 -22.330 -8.133 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.956 -5.887 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.499 -5.994 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.363 -6.362 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.284 -5.156 2.034 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.628 -8.276 2.317 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.652 -9.291 2.016 1.00 0.00 C ATOM 1366 C GLY A 803 -17.483 -9.475 0.529 1.00 0.00 C ATOM 1367 O GLY A 803 -17.355 -10.598 0.040 1.00 0.00 O ATOM 0 H GLY A 803 -18.242 -7.336 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.695 -9.019 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.957 -10.235 2.468 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.485 -8.366 -0.195 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.352 -8.406 -1.645 1.00 0.00 C ATOM 1373 C CYS A 804 -16.014 -7.813 -2.063 1.00 0.00 C ATOM 1374 O CYS A 804 -15.777 -6.621 -1.895 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.506 -7.650 -2.312 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.503 -7.724 -4.118 1.00 0.00 S ATOM 0 H CYS A 804 -17.577 -7.428 0.196 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.392 -9.445 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.449 -8.055 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.466 -6.605 -2.003 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.518 -7.057 -4.581 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.144 -8.639 -2.614 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.798 -8.200 -2.950 1.00 0.00 C ATOM 1384 C VAL A 805 -13.768 -7.533 -4.325 1.00 0.00 C ATOM 1385 O VAL A 805 -14.351 -8.029 -5.293 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.795 -9.379 -2.896 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -13.158 -10.463 -3.899 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.371 -8.891 -3.116 1.00 0.00 C ATOM 0 H VAL A 805 -15.342 -9.614 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.495 -7.464 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.854 -9.817 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.434 -11.275 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -14.154 -10.846 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -13.147 -10.046 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.686 -9.738 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.297 -8.413 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -11.109 -8.172 -2.340 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.118 -6.383 -4.381 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.970 -5.628 -5.612 1.00 0.00 C ATOM 1400 C VAL A 806 -11.524 -5.691 -6.084 1.00 0.00 C ATOM 1401 O VAL A 806 -10.593 -5.607 -5.278 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.399 -4.155 -5.425 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.183 -3.351 -6.701 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.854 -4.077 -4.996 1.00 0.00 C ATOM 0 H VAL A 806 -12.677 -5.946 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.621 -6.075 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.776 -3.722 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.494 -2.319 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -12.127 -3.373 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.773 -3.784 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.140 -3.033 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.483 -4.535 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -14.984 -4.607 -4.052 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.349 -5.861 -7.385 1.00 0.00 N ATOM 1415 CA GLY A 807 -10.019 -5.979 -7.955 1.00 0.00 C ATOM 1416 C GLY A 807 -9.302 -4.647 -8.053 1.00 0.00 C ATOM 1417 O GLY A 807 -9.693 -3.774 -8.830 1.00 0.00 O ATOM 0 H GLY A 807 -12.109 -5.920 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.427 -6.661 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -10.092 -6.421 -8.949 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.265 -4.492 -7.246 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.470 -3.285 -7.211 1.00 0.00 C ATOM 1423 C LEU A 808 -6.512 -3.147 -8.382 1.00 0.00 C ATOM 1424 O LEU A 808 -5.725 -4.050 -8.673 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.708 -3.266 -5.918 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.417 -2.541 -4.808 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -7.258 -1.065 -5.019 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.884 -2.907 -4.762 1.00 0.00 C ATOM 0 H LEU A 808 -7.952 -5.210 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.152 -2.438 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.516 -4.292 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -5.738 -2.797 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 808 -6.976 -2.833 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.768 -0.526 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.199 -0.808 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -7.692 -0.786 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.369 -2.366 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -9.356 -2.639 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -8.986 -3.979 -4.596 1.00 0.00 H new ATOM 1440 N SER A 809 -6.593 -2.007 -9.047 1.00 0.00 N ATOM 1441 CA SER A 809 -5.622 -1.627 -10.056 1.00 0.00 C ATOM 1442 C SER A 809 -5.499 -0.105 -10.098 1.00 0.00 C ATOM 1443 O SER A 809 -6.174 0.572 -10.875 1.00 0.00 O ATOM 1444 CB SER A 809 -6.037 -2.189 -11.419 1.00 0.00 C ATOM 1445 OG SER A 809 -7.415 -1.950 -11.672 1.00 0.00 O ATOM 0 H SER A 809 -7.333 -1.320 -8.902 1.00 0.00 H new ATOM 0 HA SER A 809 -4.647 -2.044 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 809 -5.435 -1.731 -12.204 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.839 -3.260 -11.450 1.00 0.00 H new ATOM 0 HG SER A 809 -7.617 -1.003 -11.518 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.633 0.422 -9.249 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.447 1.863 -9.117 1.00 0.00 C ATOM 1453 C GLN A 810 -2.958 2.210 -9.001 1.00 0.00 C ATOM 1454 O GLN A 810 -2.126 1.302 -8.912 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.230 2.358 -7.907 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.660 2.729 -8.252 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.554 2.759 -7.042 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.353 2.002 -6.105 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -8.541 3.638 -7.056 1.00 0.00 N ATOM 0 H GLN A 810 -4.039 -0.132 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.825 2.363 -10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.234 1.584 -7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.725 3.226 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.672 3.707 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.054 2.013 -8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -8.668 4.249 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.175 3.705 -6.260 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.590 3.511 -9.038 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.191 3.948 -8.903 1.00 0.00 C ATOM 1470 C PRO A 811 -0.456 3.294 -7.730 1.00 0.00 C ATOM 1471 O PRO A 811 -1.015 3.112 -6.646 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.316 5.450 -8.672 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.560 5.832 -9.391 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.496 4.663 -9.250 1.00 0.00 C ATOM 0 HA PRO A 811 -0.605 3.671 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.383 5.684 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.451 5.986 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -2.996 6.735 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.355 6.043 -10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.178 4.795 -8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.109 4.531 -10.141 1.00 0.00 H new ATOM 1482 N ASP A 812 0.801 2.950 -7.965 1.00 0.00 N ATOM 1483 CA ASP A 812 1.637 2.318 -6.951 1.00 0.00 C ATOM 1484 C ASP A 812 2.792 3.228 -6.559 1.00 0.00 C ATOM 1485 O ASP A 812 3.083 4.217 -7.238 1.00 0.00 O ATOM 1486 CB ASP A 812 2.181 0.969 -7.437 1.00 0.00 C ATOM 1487 CG ASP A 812 2.812 1.029 -8.816 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.180 0.546 -9.779 1.00 0.00 O ATOM 1489 OD2 ASP A 812 3.942 1.547 -8.948 1.00 0.00 O ATOM 0 H ASP A 812 1.270 3.099 -8.858 1.00 0.00 H new ATOM 0 HA ASP A 812 1.011 2.142 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.921 0.607 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.369 0.242 -7.450 1.00 0.00 H new ATOM 1494 N ALA A 813 3.437 2.894 -5.453 1.00 0.00 N ATOM 1495 CA ALA A 813 4.560 3.675 -4.952 1.00 0.00 C ATOM 1496 C ALA A 813 5.850 2.886 -5.084 1.00 0.00 C ATOM 1497 O ALA A 813 5.834 1.662 -5.033 1.00 0.00 O ATOM 1498 CB ALA A 813 4.351 4.060 -3.502 1.00 0.00 C ATOM 0 H ALA A 813 3.201 2.083 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 813 4.627 4.584 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.204 4.642 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.443 4.656 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.255 3.159 -2.896 1.00 0.00 H new ATOM 1504 N LYS A 814 6.964 3.574 -5.239 1.00 0.00 N ATOM 1505 CA LYS A 814 8.237 2.899 -5.341 1.00 0.00 C ATOM 1506 C LYS A 814 9.174 3.341 -4.228 1.00 0.00 C ATOM 1507 O LYS A 814 9.686 4.461 -4.216 1.00 0.00 O ATOM 1508 CB LYS A 814 8.880 3.134 -6.703 1.00 0.00 C ATOM 1509 CG LYS A 814 9.835 2.021 -7.097 1.00 0.00 C ATOM 1510 CD LYS A 814 10.424 2.235 -8.483 1.00 0.00 C ATOM 1511 CE LYS A 814 11.357 3.432 -8.519 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.597 3.203 -7.729 1.00 0.00 N ATOM 0 H LYS A 814 7.011 4.591 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 814 8.053 1.830 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.100 3.223 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.418 4.082 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.642 1.961 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.309 1.067 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 814 10.967 1.341 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.618 2.380 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 814 11.623 3.652 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 814 10.837 4.307 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 12.699 3.955 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 12.539 2.281 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 13.420 3.213 -8.364 1.00 0.00 H new ATOM 1526 N ILE A 815 9.377 2.440 -3.297 1.00 0.00 N ATOM 1527 CA ILE A 815 10.275 2.640 -2.180 1.00 0.00 C ATOM 1528 C ILE A 815 11.683 2.230 -2.605 1.00 0.00 C ATOM 1529 O ILE A 815 11.917 1.067 -2.941 1.00 0.00 O ATOM 1530 CB ILE A 815 9.842 1.784 -0.969 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.441 2.176 -0.482 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.845 1.901 0.157 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.311 1.470 -1.208 1.00 0.00 C ATOM 0 H ILE A 815 8.916 1.530 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 815 10.252 3.690 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 815 9.807 0.744 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.365 1.959 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.316 3.253 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.520 1.290 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.820 1.555 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.919 2.942 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.355 1.803 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.358 1.706 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.407 0.393 -1.071 1.00 0.00 H new ATOM 1545 N GLN A 816 12.612 3.172 -2.615 1.00 0.00 N ATOM 1546 CA GLN A 816 13.962 2.879 -3.068 1.00 0.00 C ATOM 1547 C GLN A 816 14.925 2.853 -1.884 1.00 0.00 C ATOM 1548 O GLN A 816 15.311 3.888 -1.342 1.00 0.00 O ATOM 1549 CB GLN A 816 14.400 3.914 -4.099 1.00 0.00 C ATOM 1550 CG GLN A 816 15.628 3.500 -4.891 1.00 0.00 C ATOM 1551 CD GLN A 816 16.922 4.058 -4.333 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.353 5.146 -4.709 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.548 3.321 -3.431 1.00 0.00 N ATOM 0 H GLN A 816 12.459 4.136 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 816 13.974 1.895 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.577 4.097 -4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.606 4.856 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.689 2.412 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.514 3.831 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.157 2.423 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.422 3.650 -3.021 1.00 0.00 H new ATOM 1562 N VAL A 817 15.343 1.664 -1.518 1.00 0.00 N ATOM 1563 CA VAL A 817 16.221 1.475 -0.377 1.00 0.00 C ATOM 1564 C VAL A 817 17.643 1.265 -0.877 1.00 0.00 C ATOM 1565 O VAL A 817 17.844 0.717 -1.962 1.00 0.00 O ATOM 1566 CB VAL A 817 15.779 0.256 0.471 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.237 0.389 1.917 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.273 0.077 0.407 1.00 0.00 C ATOM 0 H VAL A 817 15.088 0.801 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 817 16.171 2.361 0.255 1.00 0.00 H new ATOM 0 HB VAL A 817 16.254 -0.630 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 817 15.910 -0.483 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.324 0.456 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 817 15.805 1.289 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.983 -0.784 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 817 13.784 0.971 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.969 -0.085 -0.627 1.00 0.00 H new ATOM 1578 N ARG A 818 18.623 1.731 -0.131 1.00 0.00 N ATOM 1579 CA ARG A 818 20.012 1.543 -0.518 1.00 0.00 C ATOM 1580 C ARG A 818 20.889 1.480 0.719 1.00 0.00 C ATOM 1581 O ARG A 818 20.704 2.251 1.652 1.00 0.00 O ATOM 1582 CB ARG A 818 20.471 2.689 -1.422 1.00 0.00 C ATOM 1583 CG ARG A 818 21.665 2.338 -2.293 1.00 0.00 C ATOM 1584 CD ARG A 818 21.287 1.317 -3.354 1.00 0.00 C ATOM 1585 NE ARG A 818 22.429 0.914 -4.169 1.00 0.00 N ATOM 1586 CZ ARG A 818 22.341 0.089 -5.212 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.157 -0.379 -5.595 1.00 0.00 N ATOM 1588 NH2 ARG A 818 23.435 -0.259 -5.875 1.00 0.00 N ATOM 0 H ARG A 818 18.488 2.240 0.742 1.00 0.00 H new ATOM 0 HA ARG A 818 20.099 0.606 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.642 2.990 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.724 3.549 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.048 3.240 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.468 1.941 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 818 20.859 0.438 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.514 1.735 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 818 23.347 1.285 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 818 20.313 -0.107 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 818 21.092 -1.010 -6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 818 24.343 0.105 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 818 23.368 -0.890 -6.673 1.00 0.00 H new