USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=30 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 802 THR OG1 : rot -91:sc= 2.37 USER MOD Set 1.2: A 804 CYS SG : rot 108:sc= 1.18 USER MOD Set 2.1: A 748 GLN : amide:sc= -0.66 X(o=-0.45,f=-0.026) USER MOD Set 2.2: A 776 ASN : amide:sc= 0.213 X(o=-0.45,f=-0.5) USER MOD Set 3.1: A 739 SER OG : rot 78:sc= -1.53! USER MOD Set 3.2: A 782 THR OG1 : rot -130:sc= 0.915 USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 722 SER OG : rot 140:sc= 0.188 USER MOD Single : A 724 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 726 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.16) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 729 HIS :FLIP no HD1:sc= 0.0298 F(o=-0.57,f=0.03) USER MOD Single : A 732 LYS NZ :NH3+ -171:sc= 1.22 (180deg=0.925) USER MOD Single : A 734 CYS SG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HE2:sc= -0.525 X(o=-0.52,f=-0.51) USER MOD Single : A 740 SER OG : rot 42:sc= 0.043 USER MOD Single : A 746 LYS NZ :NH3+ -139:sc= -0.542 (180deg=-1.59!) USER MOD Single : A 752 THR OG1 : rot -10:sc= -0.142 USER MOD Single : A 754 THR OG1 : rot 79:sc= 0.0681 USER MOD Single : A 755 TYR OH : rot 165:sc= -0.448 USER MOD Single : A 760 THR OG1 : rot 15:sc= 0.577 USER MOD Single : A 766 LYS NZ :NH3+ -164:sc= -0.0665 (180deg=-0.433) USER MOD Single : A 767 THR OG1 : rot -85:sc= 1.29 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 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ -158:sc= -0.204 (180deg=-0.536) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 791 TYR OH : rot -9:sc= 0.291 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 16:sc= 1.14 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 170:sc= 0.0472 USER MOD Single : A 809 SER OG : rot 54:sc= 0.00806 USER MOD Single : A 810 GLN : amide:sc= -1.29 K(o=-1.3,f=-5!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 816 GLN :FLIP amide:sc= -4.02! C(o=-5.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -17.437 1.495 -5.478 1.00 0.00 N ATOM 42 CA LYS A 720 -16.249 1.021 -6.086 1.00 0.00 C ATOM 43 C LYS A 720 -15.061 1.492 -5.248 1.00 0.00 C ATOM 44 O LYS A 720 -14.565 2.614 -5.393 1.00 0.00 O ATOM 45 CB LYS A 720 -16.209 1.535 -7.514 1.00 0.00 C ATOM 46 CG LYS A 720 -14.822 1.678 -8.059 1.00 0.00 C ATOM 47 CD LYS A 720 -14.838 2.000 -9.540 1.00 0.00 C ATOM 48 CE LYS A 720 -15.789 3.147 -9.831 1.00 0.00 C ATOM 49 NZ LYS A 720 -15.894 3.431 -11.285 1.00 0.00 N ATOM 0 HA LYS A 720 -16.210 -0.068 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -16.773 0.855 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -16.709 2.502 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -14.297 2.467 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -14.267 0.755 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -13.833 2.262 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.140 1.118 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -16.777 2.907 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -15.447 4.042 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -16.553 4.221 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.957 3.685 -11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -16.245 2.586 -11.779 1.00 0.00 H new ATOM 63 N PRO A 721 -14.647 0.654 -4.302 1.00 0.00 N ATOM 64 CA PRO A 721 -13.585 0.969 -3.368 1.00 0.00 C ATOM 65 C PRO A 721 -12.212 0.598 -3.915 1.00 0.00 C ATOM 66 O PRO A 721 -12.092 -0.287 -4.766 1.00 0.00 O ATOM 67 CB PRO A 721 -13.952 0.127 -2.150 1.00 0.00 C ATOM 68 CG PRO A 721 -14.751 -1.026 -2.678 1.00 0.00 C ATOM 69 CD PRO A 721 -15.181 -0.693 -4.077 1.00 0.00 C ATOM 0 HA PRO A 721 -13.509 2.035 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.059 -0.221 -1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.531 0.708 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.154 -1.938 -2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.620 -1.208 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.781 -1.406 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -16.266 -0.714 -4.176 1.00 0.00 H new ATOM 77 N SER A 722 -11.182 1.265 -3.417 1.00 0.00 N ATOM 78 CA SER A 722 -9.839 1.100 -3.941 1.00 0.00 C ATOM 79 C SER A 722 -8.853 1.883 -3.080 1.00 0.00 C ATOM 80 O SER A 722 -9.151 2.199 -1.929 1.00 0.00 O ATOM 81 CB SER A 722 -9.783 1.575 -5.399 1.00 0.00 C ATOM 82 OG SER A 722 -8.619 1.099 -6.054 1.00 0.00 O ATOM 0 H SER A 722 -11.254 1.929 -2.646 1.00 0.00 H new ATOM 0 HA SER A 722 -9.566 0.045 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.669 1.228 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.800 2.664 -5.429 1.00 0.00 H new ATOM 0 HG SER A 722 -8.845 0.829 -6.969 1.00 0.00 H new ATOM 88 N ALA A 723 -7.681 2.184 -3.622 1.00 0.00 N ATOM 89 CA ALA A 723 -6.692 2.966 -2.900 1.00 0.00 C ATOM 90 C ALA A 723 -5.732 3.647 -3.867 1.00 0.00 C ATOM 91 O ALA A 723 -5.318 3.050 -4.845 1.00 0.00 O ATOM 92 CB ALA A 723 -5.937 2.062 -1.950 1.00 0.00 C ATOM 0 H ALA A 723 -7.394 1.898 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.199 3.745 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -5.194 2.645 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.635 1.613 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.438 1.275 -2.516 1.00 0.00 H new ATOM 98 N SER A 724 -5.349 4.884 -3.584 1.00 0.00 N ATOM 99 CA SER A 724 -4.499 5.633 -4.497 1.00 0.00 C ATOM 100 C SER A 724 -3.414 6.341 -3.713 1.00 0.00 C ATOM 101 O SER A 724 -3.656 7.371 -3.070 1.00 0.00 O ATOM 102 CB SER A 724 -5.322 6.642 -5.303 1.00 0.00 C ATOM 103 OG SER A 724 -4.539 7.276 -6.303 1.00 0.00 O ATOM 0 H SER A 724 -5.611 5.387 -2.736 1.00 0.00 H new ATOM 0 HA SER A 724 -4.039 4.938 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.166 6.134 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.734 7.395 -4.631 1.00 0.00 H new ATOM 0 HG SER A 724 -5.095 7.912 -6.799 1.00 0.00 H new ATOM 109 N LEU A 725 -2.230 5.762 -3.736 1.00 0.00 N ATOM 110 CA LEU A 725 -1.134 6.249 -2.966 1.00 0.00 C ATOM 111 C LEU A 725 -0.754 7.661 -3.335 1.00 0.00 C ATOM 112 O LEU A 725 -0.735 8.056 -4.502 1.00 0.00 O ATOM 113 CB LEU A 725 0.051 5.315 -3.103 1.00 0.00 C ATOM 114 CG LEU A 725 -0.101 3.973 -2.387 1.00 0.00 C ATOM 115 CD1 LEU A 725 -1.370 3.270 -2.787 1.00 0.00 C ATOM 116 CD2 LEU A 725 1.092 3.110 -2.660 1.00 0.00 C ATOM 0 H LEU A 725 -2.014 4.937 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.450 6.275 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.227 5.127 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.938 5.818 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.163 4.166 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -1.442 2.320 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.227 3.894 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -1.361 3.086 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 725 0.976 2.156 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.178 2.937 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.992 3.609 -2.300 1.00 0.00 H new ATOM 128 N LYS A 726 -0.460 8.397 -2.299 1.00 0.00 N ATOM 129 CA LYS A 726 -0.095 9.799 -2.402 1.00 0.00 C ATOM 130 C LYS A 726 1.403 9.914 -2.631 1.00 0.00 C ATOM 131 O LYS A 726 1.904 10.953 -3.056 1.00 0.00 O ATOM 132 CB LYS A 726 -0.492 10.556 -1.136 1.00 0.00 C ATOM 133 CG LYS A 726 -1.915 10.273 -0.687 1.00 0.00 C ATOM 134 CD LYS A 726 -2.406 11.290 0.334 1.00 0.00 C ATOM 135 CE LYS A 726 -2.681 12.634 -0.319 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.136 13.660 0.663 1.00 0.00 N ATOM 0 H LYS A 726 -0.465 8.043 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.628 10.242 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 726 0.195 10.291 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.380 11.626 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.576 10.281 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -1.967 9.273 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.314 10.921 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -1.660 11.410 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -1.777 12.986 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.441 12.511 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.424 14.522 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -3.944 13.290 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.358 13.885 1.315 1.00 0.00 H new ATOM 150 N LEU A 727 2.117 8.835 -2.324 1.00 0.00 N ATOM 151 CA LEU A 727 3.538 8.759 -2.616 1.00 0.00 C ATOM 152 C LEU A 727 3.723 8.624 -4.121 1.00 0.00 C ATOM 153 O LEU A 727 3.378 7.595 -4.706 1.00 0.00 O ATOM 154 CB LEU A 727 4.186 7.572 -1.891 1.00 0.00 C ATOM 155 CG LEU A 727 5.661 7.326 -2.224 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.462 8.609 -2.086 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.241 6.243 -1.326 1.00 0.00 C ATOM 0 H LEU A 727 1.732 8.004 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 727 4.025 9.668 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 727 4.095 7.730 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.622 6.670 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 727 5.723 6.988 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.507 8.413 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.067 9.360 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.388 8.976 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.289 6.084 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 727 6.162 6.553 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.688 5.315 -1.471 1.00 0.00 H new ATOM 169 N HIS A 728 4.240 9.665 -4.752 1.00 0.00 N ATOM 170 CA HIS A 728 4.307 9.696 -6.201 1.00 0.00 C ATOM 171 C HIS A 728 5.661 9.219 -6.708 1.00 0.00 C ATOM 172 O HIS A 728 5.730 8.386 -7.613 1.00 0.00 O ATOM 173 CB HIS A 728 4.012 11.103 -6.722 1.00 0.00 C ATOM 174 CG HIS A 728 3.659 11.141 -8.178 1.00 0.00 C ATOM 175 ND1 HIS A 728 2.361 11.231 -8.630 1.00 0.00 N ATOM 176 CD2 HIS A 728 4.438 11.103 -9.283 1.00 0.00 C ATOM 177 CE1 HIS A 728 2.357 11.246 -9.950 1.00 0.00 C ATOM 178 NE2 HIS A 728 3.604 11.170 -10.370 1.00 0.00 N ATOM 0 H HIS A 728 4.616 10.492 -4.288 1.00 0.00 H new ATOM 0 HA HIS A 728 3.548 9.012 -6.580 1.00 0.00 H new ATOM 0 HB2 HIS A 728 3.191 11.530 -6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.884 11.735 -6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 728 5.515 11.033 -9.305 1.00 0.00 H new ATOM 0 HE1 HIS A 728 1.481 11.310 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 728 3.901 11.162 -11.346 1.00 0.00 H new ATOM 187 N HIS A 729 6.732 9.745 -6.137 1.00 0.00 N ATOM 188 CA HIS A 729 8.074 9.388 -6.589 1.00 0.00 C ATOM 189 C HIS A 729 8.709 8.373 -5.652 1.00 0.00 C ATOM 190 O HIS A 729 8.113 7.996 -4.647 1.00 0.00 O ATOM 191 CB HIS A 729 8.975 10.622 -6.742 1.00 0.00 C ATOM 192 CG HIS A 729 9.113 11.453 -5.505 1.00 0.00 C ATOM 193 ND1 HIS A 729 8.230 12.270 -4.900 1.00 0.00 N flip ATOM 194 CD2 HIS A 729 10.273 11.533 -4.768 1.00 0.00 C flip ATOM 195 CE1 HIS A 729 8.861 12.830 -3.819 1.00 0.00 C flip ATOM 196 NE2 HIS A 729 10.094 12.365 -3.761 1.00 0.00 N flip ATOM 0 H HIS A 729 6.704 10.414 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 729 7.972 8.934 -7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.966 10.295 -7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.578 11.248 -7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 729 11.187 10.998 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 729 8.421 13.535 -3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 729 10.791 12.608 -3.057 1.00 0.00 H new ATOM 205 N ASP A 730 9.914 7.936 -5.986 1.00 0.00 N ATOM 206 CA ASP A 730 10.605 6.933 -5.191 1.00 0.00 C ATOM 207 C ASP A 730 11.014 7.499 -3.836 1.00 0.00 C ATOM 208 O ASP A 730 11.327 8.685 -3.699 1.00 0.00 O ATOM 209 CB ASP A 730 11.825 6.381 -5.938 1.00 0.00 C ATOM 210 CG ASP A 730 12.913 7.411 -6.147 1.00 0.00 C ATOM 211 OD1 ASP A 730 12.745 8.296 -7.014 1.00 0.00 O ATOM 212 OD2 ASP A 730 13.952 7.331 -5.462 1.00 0.00 O ATOM 0 H ASP A 730 10.433 8.260 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 730 9.912 6.109 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.234 5.539 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.506 5.997 -6.907 1.00 0.00 H new ATOM 217 N LEU A 731 10.975 6.637 -2.839 1.00 0.00 N ATOM 218 CA LEU A 731 11.239 7.012 -1.462 1.00 0.00 C ATOM 219 C LEU A 731 12.623 6.549 -1.015 1.00 0.00 C ATOM 220 O LEU A 731 12.864 5.358 -0.873 1.00 0.00 O ATOM 221 CB LEU A 731 10.151 6.406 -0.579 1.00 0.00 C ATOM 222 CG LEU A 731 10.312 6.645 0.908 1.00 0.00 C ATOM 223 CD1 LEU A 731 10.462 8.128 1.217 1.00 0.00 C ATOM 224 CD2 LEU A 731 9.132 6.063 1.666 1.00 0.00 C ATOM 0 H LEU A 731 10.757 5.648 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 731 11.225 8.098 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 731 9.187 6.808 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.121 5.331 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 731 11.223 6.142 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 731 10.576 8.266 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 731 11.342 8.519 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 731 9.576 8.663 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 731 9.261 6.242 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 731 8.212 6.538 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 731 9.075 4.990 1.482 1.00 0.00 H new ATOM 236 N LYS A 732 13.519 7.506 -0.788 1.00 0.00 N ATOM 237 CA LYS A 732 14.898 7.207 -0.402 1.00 0.00 C ATOM 238 C LYS A 732 14.984 6.650 1.020 1.00 0.00 C ATOM 239 O LYS A 732 14.468 7.252 1.961 1.00 0.00 O ATOM 240 CB LYS A 732 15.756 8.467 -0.502 1.00 0.00 C ATOM 241 CG LYS A 732 15.922 8.969 -1.921 1.00 0.00 C ATOM 242 CD LYS A 732 16.441 7.870 -2.827 1.00 0.00 C ATOM 243 CE LYS A 732 16.836 8.404 -4.189 1.00 0.00 C ATOM 244 NZ LYS A 732 15.727 9.141 -4.846 1.00 0.00 N ATOM 0 H LYS A 732 13.314 8.502 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 732 15.269 6.446 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.306 9.253 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.740 8.263 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.966 9.334 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.612 9.813 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 732 17.302 7.391 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.675 7.104 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.696 9.065 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.147 7.576 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 15.987 9.355 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 14.867 8.556 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 15.549 10.028 -4.334 1.00 0.00 H new ATOM 258 N LEU A 733 15.642 5.503 1.165 1.00 0.00 N ATOM 259 CA LEU A 733 15.857 4.886 2.473 1.00 0.00 C ATOM 260 C LEU A 733 17.284 4.369 2.609 1.00 0.00 C ATOM 261 O LEU A 733 18.002 4.207 1.619 1.00 0.00 O ATOM 262 CB LEU A 733 14.903 3.713 2.691 1.00 0.00 C ATOM 263 CG LEU A 733 13.431 4.043 2.812 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.690 2.773 3.131 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.185 5.081 3.896 1.00 0.00 C ATOM 0 H LEU A 733 16.039 4.977 0.386 1.00 0.00 H new ATOM 0 HA LEU A 733 15.671 5.658 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 733 15.028 3.016 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.209 3.190 3.597 1.00 0.00 H new ATOM 0 HG LEU A 733 13.077 4.466 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.625 2.986 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.847 2.049 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 733 13.060 2.362 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.118 5.296 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.534 4.696 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.726 5.995 3.654 1.00 0.00 H new ATOM 277 N CYS A 734 17.676 4.104 3.846 1.00 0.00 N ATOM 278 CA CYS A 734 18.971 3.513 4.144 1.00 0.00 C ATOM 279 C CYS A 734 18.794 2.075 4.602 1.00 0.00 C ATOM 280 O CYS A 734 17.680 1.548 4.602 1.00 0.00 O ATOM 281 CB CYS A 734 19.685 4.335 5.216 1.00 0.00 C ATOM 282 SG CYS A 734 19.951 6.062 4.758 1.00 0.00 S ATOM 0 H CYS A 734 17.106 4.292 4.670 1.00 0.00 H new ATOM 0 HA CYS A 734 19.582 3.515 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 734 19.102 4.299 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.649 3.874 5.432 1.00 0.00 H new ATOM 0 HG CYS A 734 20.559 6.679 5.727 1.00 0.00 H new ATOM 288 N LEU A 735 19.887 1.438 4.982 1.00 0.00 N ATOM 289 CA LEU A 735 19.847 0.045 5.383 1.00 0.00 C ATOM 290 C LEU A 735 19.006 -0.139 6.633 1.00 0.00 C ATOM 291 O LEU A 735 19.150 0.599 7.610 1.00 0.00 O ATOM 292 CB LEU A 735 21.243 -0.479 5.628 1.00 0.00 C ATOM 293 CG LEU A 735 21.342 -1.979 5.879 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.665 -2.726 4.753 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.793 -2.401 5.996 1.00 0.00 C ATOM 0 H LEU A 735 20.813 1.864 5.021 1.00 0.00 H new ATOM 0 HA LEU A 735 19.391 -0.520 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.863 -0.230 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.664 0.045 6.486 1.00 0.00 H new ATOM 0 HG LEU A 735 20.841 -2.217 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.736 -3.799 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.616 -2.435 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 735 21.154 -2.483 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.846 -3.475 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.317 -2.161 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.260 -1.871 6.826 1.00 0.00 H new ATOM 307 N GLY A 736 18.112 -1.111 6.578 1.00 0.00 N ATOM 308 CA GLY A 736 17.290 -1.431 7.727 1.00 0.00 C ATOM 309 C GLY A 736 16.263 -0.359 8.025 1.00 0.00 C ATOM 310 O GLY A 736 15.671 -0.343 9.103 1.00 0.00 O ATOM 0 H GLY A 736 17.939 -1.688 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.780 -2.378 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.929 -1.569 8.599 1.00 0.00 H new ATOM 314 N ASP A 737 16.066 0.546 7.079 1.00 0.00 N ATOM 315 CA ASP A 737 15.082 1.613 7.240 1.00 0.00 C ATOM 316 C ASP A 737 13.673 1.087 7.000 1.00 0.00 C ATOM 317 O ASP A 737 13.476 0.131 6.247 1.00 0.00 O ATOM 318 CB ASP A 737 15.362 2.761 6.263 1.00 0.00 C ATOM 319 CG ASP A 737 15.382 4.116 6.940 1.00 0.00 C ATOM 320 OD1 ASP A 737 14.306 4.713 7.124 1.00 0.00 O ATOM 321 OD2 ASP A 737 16.482 4.595 7.284 1.00 0.00 O ATOM 0 H ASP A 737 16.571 0.566 6.193 1.00 0.00 H new ATOM 0 HA ASP A 737 15.160 1.983 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 737 16.321 2.590 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.601 2.761 5.482 1.00 0.00 H new ATOM 326 N HIS A 738 12.704 1.701 7.655 1.00 0.00 N ATOM 327 CA HIS A 738 11.305 1.429 7.383 1.00 0.00 C ATOM 328 C HIS A 738 10.731 2.681 6.752 1.00 0.00 C ATOM 329 O HIS A 738 11.333 3.746 6.853 1.00 0.00 O ATOM 330 CB HIS A 738 10.533 1.045 8.663 1.00 0.00 C ATOM 331 CG HIS A 738 10.061 2.202 9.503 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.897 2.943 10.310 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.821 2.731 9.670 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.198 3.869 10.935 1.00 0.00 C ATOM 335 NE2 HIS A 738 8.937 3.764 10.568 1.00 0.00 N ATOM 0 H HIS A 738 12.863 2.396 8.384 1.00 0.00 H new ATOM 0 HA HIS A 738 11.210 0.575 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.667 0.447 8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.172 0.410 9.276 1.00 0.00 H new ATOM 0 HD1 HIS A 738 11.902 2.797 10.408 1.00 0.00 H new ATOM 0 HD2 HIS A 738 7.913 2.401 9.187 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.593 4.593 11.632 1.00 0.00 H new ATOM 344 N SER A 739 9.592 2.579 6.113 1.00 0.00 N ATOM 345 CA SER A 739 9.082 3.720 5.372 1.00 0.00 C ATOM 346 C SER A 739 7.621 4.016 5.680 1.00 0.00 C ATOM 347 O SER A 739 6.949 3.277 6.405 1.00 0.00 O ATOM 348 CB SER A 739 9.284 3.498 3.873 1.00 0.00 C ATOM 349 OG SER A 739 9.747 2.183 3.615 1.00 0.00 O ATOM 0 H SER A 739 9.008 1.743 6.086 1.00 0.00 H new ATOM 0 HA SER A 739 9.649 4.595 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.345 3.667 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 739 10.001 4.223 3.487 1.00 0.00 H new ATOM 0 HG SER A 739 8.997 1.555 3.674 1.00 0.00 H new ATOM 355 N SER A 740 7.150 5.119 5.122 1.00 0.00 N ATOM 356 CA SER A 740 5.788 5.566 5.304 1.00 0.00 C ATOM 357 C SER A 740 5.183 5.908 3.943 1.00 0.00 C ATOM 358 O SER A 740 5.646 6.820 3.254 1.00 0.00 O ATOM 359 CB SER A 740 5.748 6.784 6.233 1.00 0.00 C ATOM 360 OG SER A 740 6.772 7.713 5.911 1.00 0.00 O ATOM 0 H SER A 740 7.709 5.730 4.527 1.00 0.00 H new ATOM 0 HA SER A 740 5.204 4.770 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 740 4.776 7.271 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.861 6.459 7.267 1.00 0.00 H new ATOM 0 HG SER A 740 6.834 7.807 4.938 1.00 0.00 H new ATOM 366 N VAL A 741 4.171 5.159 3.552 1.00 0.00 N ATOM 367 CA VAL A 741 3.565 5.307 2.241 1.00 0.00 C ATOM 368 C VAL A 741 2.146 5.817 2.370 1.00 0.00 C ATOM 369 O VAL A 741 1.218 5.052 2.602 1.00 0.00 O ATOM 370 CB VAL A 741 3.505 3.975 1.515 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.260 4.164 0.033 1.00 0.00 C ATOM 372 CG2 VAL A 741 4.754 3.164 1.786 1.00 0.00 C ATOM 0 H VAL A 741 3.746 4.434 4.130 1.00 0.00 H new ATOM 0 HA VAL A 741 4.179 6.012 1.681 1.00 0.00 H new ATOM 0 HB VAL A 741 2.656 3.412 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.223 3.191 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 741 2.312 4.682 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 741 4.068 4.756 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 741 4.692 2.213 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 741 5.628 3.716 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 741 4.842 2.979 2.856 1.00 0.00 H new ATOM 382 N PRO A 742 1.959 7.102 2.183 1.00 0.00 N ATOM 383 CA PRO A 742 0.682 7.743 2.371 1.00 0.00 C ATOM 384 C PRO A 742 -0.246 7.440 1.211 1.00 0.00 C ATOM 385 O PRO A 742 0.102 7.691 0.067 1.00 0.00 O ATOM 386 CB PRO A 742 1.020 9.236 2.438 1.00 0.00 C ATOM 387 CG PRO A 742 2.509 9.337 2.249 1.00 0.00 C ATOM 388 CD PRO A 742 2.973 8.019 1.714 1.00 0.00 C ATOM 0 HA PRO A 742 0.163 7.397 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.491 9.790 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.719 9.661 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.756 10.142 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 742 3.003 9.565 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 742 3.039 8.026 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.961 7.756 2.091 1.00 0.00 H new ATOM 396 N VAL A 743 -1.393 6.849 1.491 1.00 0.00 N ATOM 397 CA VAL A 743 -2.365 6.553 0.448 1.00 0.00 C ATOM 398 C VAL A 743 -3.746 7.127 0.751 1.00 0.00 C ATOM 399 O VAL A 743 -4.359 6.826 1.770 1.00 0.00 O ATOM 400 CB VAL A 743 -2.494 5.041 0.169 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.497 4.249 1.452 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.734 4.747 -0.650 1.00 0.00 C ATOM 0 H VAL A 743 -1.676 6.564 2.429 1.00 0.00 H new ATOM 0 HA VAL A 743 -1.974 7.040 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.624 4.733 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.589 3.187 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.566 4.425 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.338 4.561 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.803 3.675 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.617 5.079 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.675 5.275 -1.602 1.00 0.00 H new ATOM 412 N ALA A 744 -4.221 7.963 -0.149 1.00 0.00 N ATOM 413 CA ALA A 744 -5.594 8.413 -0.128 1.00 0.00 C ATOM 414 C ALA A 744 -6.451 7.373 -0.811 1.00 0.00 C ATOM 415 O ALA A 744 -6.357 7.144 -2.019 1.00 0.00 O ATOM 416 CB ALA A 744 -5.735 9.773 -0.776 1.00 0.00 C ATOM 0 H ALA A 744 -3.666 8.348 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 744 -5.928 8.529 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -6.779 10.084 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.124 10.498 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.404 9.718 -1.813 1.00 0.00 H new ATOM 422 N LEU A 745 -7.270 6.732 -0.017 1.00 0.00 N ATOM 423 CA LEU A 745 -7.937 5.521 -0.423 1.00 0.00 C ATOM 424 C LEU A 745 -9.320 5.811 -0.961 1.00 0.00 C ATOM 425 O LEU A 745 -9.833 6.922 -0.838 1.00 0.00 O ATOM 426 CB LEU A 745 -8.008 4.580 0.769 1.00 0.00 C ATOM 427 CG LEU A 745 -6.735 4.563 1.601 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.059 4.766 3.057 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.970 3.270 1.400 1.00 0.00 C ATOM 0 H LEU A 745 -7.494 7.035 0.931 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.372 5.052 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.844 4.872 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.215 3.570 0.414 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.100 5.383 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.138 4.751 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.557 5.727 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.717 3.967 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.064 3.285 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.594 2.428 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.701 3.166 0.349 1.00 0.00 H new ATOM 441 N LYS A 746 -9.910 4.805 -1.559 1.00 0.00 N ATOM 442 CA LYS A 746 -11.191 4.943 -2.191 1.00 0.00 C ATOM 443 C LYS A 746 -12.179 3.953 -1.600 1.00 0.00 C ATOM 444 O LYS A 746 -11.811 2.850 -1.204 1.00 0.00 O ATOM 445 CB LYS A 746 -11.042 4.725 -3.678 1.00 0.00 C ATOM 446 CG LYS A 746 -12.315 4.944 -4.475 1.00 0.00 C ATOM 447 CD LYS A 746 -12.794 6.393 -4.421 1.00 0.00 C ATOM 448 CE LYS A 746 -11.779 7.372 -5.007 1.00 0.00 C ATOM 449 NZ LYS A 746 -10.794 7.862 -3.999 1.00 0.00 N ATOM 0 H LYS A 746 -9.512 3.868 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.575 5.948 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.271 5.397 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.691 3.708 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.144 4.659 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.098 4.291 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -13.734 6.481 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.999 6.665 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -11.244 6.887 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -12.308 8.224 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.628 8.879 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -11.168 7.703 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -9.898 7.346 -4.110 1.00 0.00 H new ATOM 463 N GLY A 747 -13.427 4.352 -1.555 1.00 0.00 N ATOM 464 CA GLY A 747 -14.453 3.517 -0.958 1.00 0.00 C ATOM 465 C GLY A 747 -14.790 3.972 0.441 1.00 0.00 C ATOM 466 O GLY A 747 -13.902 4.174 1.260 1.00 0.00 O ATOM 0 H GLY A 747 -13.760 5.244 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.350 3.543 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -14.113 2.482 -0.933 1.00 0.00 H new ATOM 470 N GLN A 748 -16.071 4.141 0.721 1.00 0.00 N ATOM 471 CA GLN A 748 -16.489 4.680 2.009 1.00 0.00 C ATOM 472 C GLN A 748 -17.136 3.606 2.866 1.00 0.00 C ATOM 473 O GLN A 748 -18.192 3.071 2.521 1.00 0.00 O ATOM 474 CB GLN A 748 -17.470 5.847 1.849 1.00 0.00 C ATOM 475 CG GLN A 748 -16.936 7.066 1.102 1.00 0.00 C ATOM 476 CD GLN A 748 -16.946 6.901 -0.407 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.968 7.127 -1.057 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.803 6.566 -0.984 1.00 0.00 N ATOM 0 H GLN A 748 -16.834 3.916 0.083 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.587 5.046 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.355 5.484 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.792 6.165 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.534 7.937 1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -15.917 7.267 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -14.977 6.386 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -15.748 6.488 -2.000 1.00 0.00 H new ATOM 487 N GLY A 749 -16.498 3.298 3.980 1.00 0.00 N ATOM 488 CA GLY A 749 -17.015 2.298 4.885 1.00 0.00 C ATOM 489 C GLY A 749 -15.935 1.354 5.339 1.00 0.00 C ATOM 490 O GLY A 749 -14.776 1.555 5.007 1.00 0.00 O ATOM 0 H GLY A 749 -15.622 3.728 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.461 2.786 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.808 1.735 4.393 1.00 0.00 H new ATOM 494 N PRO A 750 -16.276 0.329 6.121 1.00 0.00 N ATOM 495 CA PRO A 750 -15.308 -0.650 6.596 1.00 0.00 C ATOM 496 C PRO A 750 -14.840 -1.574 5.477 1.00 0.00 C ATOM 497 O PRO A 750 -15.469 -2.596 5.191 1.00 0.00 O ATOM 498 CB PRO A 750 -16.077 -1.440 7.667 1.00 0.00 C ATOM 499 CG PRO A 750 -17.340 -0.678 7.898 1.00 0.00 C ATOM 500 CD PRO A 750 -17.619 0.053 6.622 1.00 0.00 C ATOM 0 HA PRO A 750 -14.403 -0.178 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.288 -2.455 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.496 -1.523 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.160 -1.350 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.230 0.017 8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.197 -0.553 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.185 0.969 6.793 1.00 0.00 H new ATOM 508 N PHE A 751 -13.731 -1.216 4.850 1.00 0.00 N ATOM 509 CA PHE A 751 -13.195 -1.996 3.748 1.00 0.00 C ATOM 510 C PHE A 751 -11.904 -2.696 4.140 1.00 0.00 C ATOM 511 O PHE A 751 -11.086 -2.145 4.872 1.00 0.00 O ATOM 512 CB PHE A 751 -12.966 -1.105 2.528 1.00 0.00 C ATOM 513 CG PHE A 751 -14.246 -0.683 1.871 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.831 0.542 2.148 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.871 -1.526 0.972 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.012 0.910 1.539 1.00 0.00 C ATOM 517 CE2 PHE A 751 -16.053 -1.160 0.363 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.623 0.060 0.648 1.00 0.00 C ATOM 0 H PHE A 751 -13.184 -0.388 5.087 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.927 -2.762 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.408 -0.219 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.350 -1.638 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.357 1.215 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.428 -2.484 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.458 1.868 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.531 -1.830 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.549 0.349 0.172 1.00 0.00 H new ATOM 528 N THR A 752 -11.731 -3.916 3.660 1.00 0.00 N ATOM 529 CA THR A 752 -10.523 -4.665 3.936 1.00 0.00 C ATOM 530 C THR A 752 -9.504 -4.396 2.851 1.00 0.00 C ATOM 531 O THR A 752 -9.586 -4.921 1.743 1.00 0.00 O ATOM 532 CB THR A 752 -10.794 -6.175 4.072 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.712 -6.407 5.148 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.505 -6.938 4.327 1.00 0.00 C ATOM 0 H THR A 752 -12.412 -4.405 3.079 1.00 0.00 H new ATOM 0 HA THR A 752 -10.129 -4.331 4.896 1.00 0.00 H new ATOM 0 HB THR A 752 -11.226 -6.531 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.836 -5.578 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.724 -8.002 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.818 -6.780 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.047 -6.581 5.249 1.00 0.00 H new ATOM 542 N LEU A 753 -8.552 -3.561 3.195 1.00 0.00 N ATOM 543 CA LEU A 753 -7.595 -3.039 2.248 1.00 0.00 C ATOM 544 C LEU A 753 -6.356 -3.922 2.202 1.00 0.00 C ATOM 545 O LEU A 753 -5.649 -4.062 3.198 1.00 0.00 O ATOM 546 CB LEU A 753 -7.210 -1.625 2.670 1.00 0.00 C ATOM 547 CG LEU A 753 -6.130 -0.963 1.820 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.682 -0.527 0.475 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.516 0.197 2.567 1.00 0.00 C ATOM 0 H LEU A 753 -8.419 -3.222 4.148 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.040 -3.023 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.103 -1.000 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.869 -1.652 3.705 1.00 0.00 H new ATOM 0 HG LEU A 753 -5.346 -1.695 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -5.890 -0.059 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -7.062 -1.396 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -7.491 0.188 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -4.747 0.661 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.288 0.931 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.069 -0.163 3.494 1.00 0.00 H new ATOM 561 N THR A 754 -6.101 -4.520 1.055 1.00 0.00 N ATOM 562 CA THR A 754 -4.940 -5.373 0.894 1.00 0.00 C ATOM 563 C THR A 754 -3.966 -4.784 -0.113 1.00 0.00 C ATOM 564 O THR A 754 -4.355 -4.416 -1.227 1.00 0.00 O ATOM 565 CB THR A 754 -5.337 -6.767 0.417 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.608 -7.130 0.972 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.287 -7.763 0.852 1.00 0.00 C ATOM 0 H THR A 754 -6.682 -4.431 0.221 1.00 0.00 H new ATOM 0 HA THR A 754 -4.464 -5.444 1.872 1.00 0.00 H new ATOM 0 HB THR A 754 -5.412 -6.768 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 754 -7.324 -6.698 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.568 -8.760 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.325 -7.490 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.209 -7.758 1.939 1.00 0.00 H new ATOM 575 N TYR A 755 -2.702 -4.704 0.266 1.00 0.00 N ATOM 576 CA TYR A 755 -1.683 -4.190 -0.629 1.00 0.00 C ATOM 577 C TYR A 755 -0.380 -4.973 -0.495 1.00 0.00 C ATOM 578 O TYR A 755 -0.118 -5.595 0.540 1.00 0.00 O ATOM 579 CB TYR A 755 -1.451 -2.695 -0.384 1.00 0.00 C ATOM 580 CG TYR A 755 -1.225 -2.323 1.068 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.014 -2.497 1.671 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.253 -1.781 1.828 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.221 -2.142 2.987 1.00 0.00 C ATOM 584 CE2 TYR A 755 -2.056 -1.426 3.149 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.816 -1.611 3.724 1.00 0.00 C ATOM 586 OH TYR A 755 -0.605 -1.252 5.037 1.00 0.00 O ATOM 0 H TYR A 755 -2.359 -4.987 1.184 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.041 -4.318 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.587 -2.374 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.312 -2.141 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.829 -2.917 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.224 -1.634 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.192 -2.279 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.867 -1.007 3.727 1.00 0.00 H new ATOM 0 HH TYR A 755 -1.342 -0.683 5.343 1.00 0.00 H new ATOM 596 N ASP A 756 0.429 -4.929 -1.546 1.00 0.00 N ATOM 597 CA ASP A 756 1.675 -5.680 -1.604 1.00 0.00 C ATOM 598 C ASP A 756 2.847 -4.742 -1.800 1.00 0.00 C ATOM 599 O ASP A 756 2.925 -4.030 -2.807 1.00 0.00 O ATOM 600 CB ASP A 756 1.654 -6.667 -2.773 1.00 0.00 C ATOM 601 CG ASP A 756 1.593 -8.123 -2.347 1.00 0.00 C ATOM 602 OD1 ASP A 756 2.427 -8.918 -2.838 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.710 -8.486 -1.542 1.00 0.00 O ATOM 0 H ASP A 756 0.240 -4.373 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 756 1.780 -6.220 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.794 -6.447 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.545 -6.514 -3.382 1.00 0.00 H new ATOM 608 N ILE A 757 3.755 -4.739 -0.849 1.00 0.00 N ATOM 609 CA ILE A 757 5.025 -4.077 -1.030 1.00 0.00 C ATOM 610 C ILE A 757 5.969 -5.074 -1.664 1.00 0.00 C ATOM 611 O ILE A 757 6.558 -5.921 -0.990 1.00 0.00 O ATOM 612 CB ILE A 757 5.624 -3.532 0.289 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.800 -2.364 0.811 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.056 -3.074 0.082 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.551 -2.760 1.567 1.00 0.00 C ATOM 0 H ILE A 757 3.636 -5.189 0.059 1.00 0.00 H new ATOM 0 HA ILE A 757 4.875 -3.205 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 757 5.607 -4.342 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.427 -1.758 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.514 -1.733 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.456 -2.695 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.661 -3.914 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.080 -2.283 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.028 -1.864 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.898 -3.339 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.825 -3.363 2.432 1.00 0.00 H new ATOM 627 N ILE A 758 6.073 -4.996 -2.970 1.00 0.00 N ATOM 628 CA ILE A 758 6.821 -5.966 -3.722 1.00 0.00 C ATOM 629 C ILE A 758 8.228 -5.473 -3.955 1.00 0.00 C ATOM 630 O ILE A 758 8.465 -4.278 -4.018 1.00 0.00 O ATOM 631 CB ILE A 758 6.116 -6.275 -5.058 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.056 -5.046 -5.967 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.713 -6.773 -4.778 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.186 -4.969 -6.974 1.00 0.00 C ATOM 0 H ILE A 758 5.644 -4.263 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 758 6.873 -6.891 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 758 6.693 -7.041 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.106 -5.048 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.072 -4.148 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.210 -6.993 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.762 -7.678 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.156 -6.007 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.072 -4.070 -7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.140 -4.934 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.159 -5.847 -7.619 1.00 0.00 H new ATOM 646 N GLU A 759 9.164 -6.380 -4.055 1.00 0.00 N ATOM 647 CA GLU A 759 10.530 -5.988 -4.304 1.00 0.00 C ATOM 648 C GLU A 759 10.914 -6.280 -5.740 1.00 0.00 C ATOM 649 O GLU A 759 10.781 -7.405 -6.219 1.00 0.00 O ATOM 650 CB GLU A 759 11.487 -6.675 -3.341 1.00 0.00 C ATOM 651 CG GLU A 759 11.392 -8.166 -3.339 1.00 0.00 C ATOM 652 CD GLU A 759 12.542 -8.799 -2.590 1.00 0.00 C ATOM 653 OE1 GLU A 759 12.726 -8.487 -1.397 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.248 -9.631 -3.184 1.00 0.00 O ATOM 0 H GLU A 759 9.011 -7.385 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 759 10.605 -4.914 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 759 12.507 -6.388 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 759 11.294 -6.309 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.450 -8.470 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.382 -8.531 -4.366 1.00 0.00 H new ATOM 661 N THR A 760 11.394 -5.261 -6.426 1.00 0.00 N ATOM 662 CA THR A 760 11.848 -5.421 -7.789 1.00 0.00 C ATOM 663 C THR A 760 13.332 -5.781 -7.768 1.00 0.00 C ATOM 664 O THR A 760 13.949 -6.044 -8.801 1.00 0.00 O ATOM 665 CB THR A 760 11.557 -4.157 -8.644 1.00 0.00 C ATOM 666 OG1 THR A 760 12.493 -4.019 -9.725 1.00 0.00 O ATOM 667 CG2 THR A 760 11.558 -2.904 -7.791 1.00 0.00 C ATOM 0 H THR A 760 11.479 -4.313 -6.059 1.00 0.00 H new ATOM 0 HA THR A 760 11.295 -6.230 -8.266 1.00 0.00 H new ATOM 0 HB THR A 760 10.563 -4.286 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.977 -4.862 -9.848 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.351 -2.037 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.790 -2.987 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.533 -2.786 -7.319 1.00 0.00 H new ATOM 739 N ARG A 765 7.976 -10.440 -2.183 1.00 0.00 N ATOM 740 CA ARG A 765 6.853 -9.539 -1.956 1.00 0.00 C ATOM 741 C ARG A 765 6.391 -9.573 -0.500 1.00 0.00 C ATOM 742 O ARG A 765 6.556 -10.578 0.195 1.00 0.00 O ATOM 743 CB ARG A 765 5.689 -9.924 -2.865 1.00 0.00 C ATOM 744 CG ARG A 765 6.016 -9.859 -4.346 1.00 0.00 C ATOM 745 CD ARG A 765 4.808 -10.223 -5.192 1.00 0.00 C ATOM 746 NE ARG A 765 4.479 -11.646 -5.086 1.00 0.00 N ATOM 747 CZ ARG A 765 3.327 -12.125 -4.608 1.00 0.00 C ATOM 748 NH1 ARG A 765 2.414 -11.310 -4.095 1.00 0.00 N ATOM 749 NH2 ARG A 765 3.106 -13.432 -4.606 1.00 0.00 N ATOM 0 HA ARG A 765 7.187 -8.527 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 765 5.368 -10.936 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 765 4.847 -9.263 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 765 6.354 -8.855 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 765 6.838 -10.539 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 765 3.951 -9.627 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 765 5.005 -9.972 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 765 5.179 -12.319 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 765 2.588 -10.305 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 765 1.538 -11.688 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.815 -14.070 -4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 765 2.227 -13.800 -4.242 1.00 0.00 H new ATOM 763 N LYS A 766 5.810 -8.474 -0.046 1.00 0.00 N ATOM 764 CA LYS A 766 5.264 -8.391 1.291 1.00 0.00 C ATOM 765 C LYS A 766 3.807 -7.981 1.194 1.00 0.00 C ATOM 766 O LYS A 766 3.436 -7.204 0.329 1.00 0.00 O ATOM 767 CB LYS A 766 6.051 -7.381 2.134 1.00 0.00 C ATOM 768 CG LYS A 766 5.933 -7.600 3.638 1.00 0.00 C ATOM 769 CD LYS A 766 4.632 -7.073 4.218 1.00 0.00 C ATOM 770 CE LYS A 766 4.508 -7.426 5.692 1.00 0.00 C ATOM 771 NZ LYS A 766 4.549 -8.894 5.931 1.00 0.00 N ATOM 0 H LYS A 766 5.706 -7.620 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 766 5.342 -9.362 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.103 -7.430 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.703 -6.376 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 766 6.013 -8.666 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.770 -7.112 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.587 -5.991 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.789 -7.492 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 766 5.316 -6.948 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.573 -7.024 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 4.196 -9.100 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.952 -9.377 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 5.528 -9.233 5.843 1.00 0.00 H new ATOM 785 N THR A 767 2.994 -8.502 2.077 1.00 0.00 N ATOM 786 CA THR A 767 1.566 -8.244 2.033 1.00 0.00 C ATOM 787 C THR A 767 1.051 -7.683 3.358 1.00 0.00 C ATOM 788 O THR A 767 1.449 -8.135 4.434 1.00 0.00 O ATOM 789 CB THR A 767 0.799 -9.538 1.704 1.00 0.00 C ATOM 790 OG1 THR A 767 1.227 -10.049 0.437 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.703 -9.303 1.680 1.00 0.00 C ATOM 0 H THR A 767 3.292 -9.110 2.840 1.00 0.00 H new ATOM 0 HA THR A 767 1.397 -7.501 1.253 1.00 0.00 H new ATOM 0 HB THR A 767 1.016 -10.265 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.727 -9.606 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.214 -10.237 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.031 -8.946 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.943 -8.557 0.922 1.00 0.00 H new ATOM 799 N PHE A 768 0.180 -6.686 3.266 1.00 0.00 N ATOM 800 CA PHE A 768 -0.541 -6.175 4.418 1.00 0.00 C ATOM 801 C PHE A 768 -2.021 -6.055 4.095 1.00 0.00 C ATOM 802 O PHE A 768 -2.400 -5.506 3.058 1.00 0.00 O ATOM 803 CB PHE A 768 -0.004 -4.816 4.864 1.00 0.00 C ATOM 804 CG PHE A 768 1.107 -4.885 5.872 1.00 0.00 C ATOM 805 CD1 PHE A 768 1.039 -5.772 6.932 1.00 0.00 C ATOM 806 CD2 PHE A 768 2.204 -4.045 5.774 1.00 0.00 C ATOM 807 CE1 PHE A 768 2.046 -5.822 7.876 1.00 0.00 C ATOM 808 CE2 PHE A 768 3.216 -4.094 6.714 1.00 0.00 C ATOM 809 CZ PHE A 768 3.138 -4.984 7.767 1.00 0.00 C ATOM 0 H PHE A 768 -0.044 -6.212 2.391 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.397 -6.881 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 768 0.351 -4.274 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.825 -4.236 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 768 0.189 -6.432 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.269 -3.345 4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 768 1.979 -6.517 8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 768 4.068 -3.436 6.625 1.00 0.00 H new ATOM 0 HZ PHE A 768 3.928 -5.024 8.502 1.00 0.00 H new ATOM 819 N GLU A 769 -2.843 -6.592 4.974 1.00 0.00 N ATOM 820 CA GLU A 769 -4.282 -6.549 4.819 1.00 0.00 C ATOM 821 C GLU A 769 -4.928 -5.923 6.050 1.00 0.00 C ATOM 822 O GLU A 769 -4.954 -6.523 7.127 1.00 0.00 O ATOM 823 CB GLU A 769 -4.803 -7.964 4.594 1.00 0.00 C ATOM 824 CG GLU A 769 -6.310 -8.051 4.433 1.00 0.00 C ATOM 825 CD GLU A 769 -6.795 -9.475 4.235 1.00 0.00 C ATOM 826 OE1 GLU A 769 -7.538 -9.981 5.102 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.430 -10.099 3.217 1.00 0.00 O ATOM 0 H GLU A 769 -2.530 -7.072 5.818 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.539 -5.934 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.329 -8.377 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.501 -8.589 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.791 -7.627 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.616 -7.445 3.580 1.00 0.00 H new ATOM 834 N ILE A 770 -5.425 -4.709 5.892 1.00 0.00 N ATOM 835 CA ILE A 770 -6.031 -3.981 6.984 1.00 0.00 C ATOM 836 C ILE A 770 -7.539 -3.939 6.813 1.00 0.00 C ATOM 837 O ILE A 770 -8.049 -3.335 5.875 1.00 0.00 O ATOM 838 CB ILE A 770 -5.477 -2.540 7.081 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.975 -2.556 7.366 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.205 -1.754 8.158 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.115 -2.795 6.148 1.00 0.00 C ATOM 0 H ILE A 770 -5.418 -4.205 5.005 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.783 -4.504 7.908 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.644 -2.051 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.692 -1.604 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.765 -3.331 8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.799 -0.744 8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.267 -1.707 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -6.072 -2.247 9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.064 -2.791 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.367 -3.760 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.292 -2.006 5.417 1.00 0.00 H new ATOM 853 N LYS A 771 -8.248 -4.599 7.705 1.00 0.00 N ATOM 854 CA LYS A 771 -9.688 -4.676 7.618 1.00 0.00 C ATOM 855 C LYS A 771 -10.337 -3.433 8.192 1.00 0.00 C ATOM 856 O LYS A 771 -9.806 -2.798 9.107 1.00 0.00 O ATOM 857 CB LYS A 771 -10.188 -5.917 8.344 1.00 0.00 C ATOM 858 CG LYS A 771 -9.084 -6.929 8.573 1.00 0.00 C ATOM 859 CD LYS A 771 -9.610 -8.338 8.757 1.00 0.00 C ATOM 860 CE LYS A 771 -10.046 -8.944 7.430 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.360 -10.393 7.559 1.00 0.00 N ATOM 0 H LYS A 771 -7.846 -5.092 8.502 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.964 -4.743 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.617 -5.627 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.987 -6.378 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.398 -6.910 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.511 -6.642 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.837 -8.961 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.453 -8.326 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.923 -8.414 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.256 -8.808 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.653 -10.768 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.516 -10.903 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.131 -10.521 8.245 1.00 0.00 H new ATOM 875 N GLU A 772 -11.487 -3.111 7.631 1.00 0.00 N ATOM 876 CA GLU A 772 -12.308 -1.982 8.057 1.00 0.00 C ATOM 877 C GLU A 772 -11.555 -0.651 8.000 1.00 0.00 C ATOM 878 O GLU A 772 -11.556 0.101 8.975 1.00 0.00 O ATOM 879 CB GLU A 772 -12.836 -2.188 9.479 1.00 0.00 C ATOM 880 CG GLU A 772 -13.213 -3.622 9.804 1.00 0.00 C ATOM 881 CD GLU A 772 -14.045 -3.737 11.064 1.00 0.00 C ATOM 882 OE1 GLU A 772 -15.264 -3.994 10.963 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.488 -3.549 12.165 1.00 0.00 O ATOM 0 H GLU A 772 -11.888 -3.633 6.852 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.140 -1.937 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.078 -1.855 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.710 -1.553 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.768 -4.046 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.305 -4.215 9.918 1.00 0.00 H new ATOM 890 N ILE A 773 -10.912 -0.344 6.880 1.00 0.00 N ATOM 891 CA ILE A 773 -10.361 0.987 6.714 1.00 0.00 C ATOM 892 C ILE A 773 -11.500 1.913 6.332 1.00 0.00 C ATOM 893 O ILE A 773 -12.204 1.687 5.352 1.00 0.00 O ATOM 894 CB ILE A 773 -9.168 1.060 5.699 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.597 1.452 4.279 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.417 -0.262 5.654 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.703 2.956 4.054 1.00 0.00 C ATOM 0 H ILE A 773 -10.764 -0.980 6.097 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.916 1.301 7.658 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.514 1.850 6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.882 1.039 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.562 0.994 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.594 -0.189 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.023 -0.490 6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.096 -1.056 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.011 3.149 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.440 3.375 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.734 3.420 4.236 1.00 0.00 H new ATOM 909 N LYS A 774 -11.726 2.907 7.163 1.00 0.00 N ATOM 910 CA LYS A 774 -12.815 3.844 6.972 1.00 0.00 C ATOM 911 C LYS A 774 -12.221 5.231 6.796 1.00 0.00 C ATOM 912 O LYS A 774 -12.835 6.249 7.119 1.00 0.00 O ATOM 913 CB LYS A 774 -13.742 3.783 8.191 1.00 0.00 C ATOM 914 CG LYS A 774 -14.055 2.353 8.619 1.00 0.00 C ATOM 915 CD LYS A 774 -14.748 2.293 9.967 1.00 0.00 C ATOM 916 CE LYS A 774 -14.833 0.862 10.479 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.460 0.793 11.825 1.00 0.00 N ATOM 0 H LYS A 774 -11.160 3.090 7.992 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.401 3.597 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.278 4.314 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.673 4.302 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.687 1.881 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.130 1.779 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.205 2.907 10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.751 2.712 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.410 0.259 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.833 0.431 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.500 -0.198 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -14.896 1.348 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.424 1.181 11.779 1.00 0.00 H new ATOM 931 N THR A 775 -11.015 5.246 6.247 1.00 0.00 N ATOM 932 CA THR A 775 -10.185 6.437 6.237 1.00 0.00 C ATOM 933 C THR A 775 -10.331 7.266 4.956 1.00 0.00 C ATOM 934 O THR A 775 -10.863 8.377 4.993 1.00 0.00 O ATOM 935 CB THR A 775 -8.712 6.040 6.400 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.620 4.809 7.126 1.00 0.00 O ATOM 937 CG2 THR A 775 -7.942 7.126 7.129 1.00 0.00 C ATOM 0 H THR A 775 -10.588 4.436 5.798 1.00 0.00 H new ATOM 0 HA THR A 775 -10.522 7.056 7.068 1.00 0.00 H new ATOM 0 HB THR A 775 -8.275 5.911 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.678 4.558 7.226 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.900 6.825 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.996 8.054 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.377 7.280 8.117 1.00 0.00 H new ATOM 945 N ASN A 776 -9.796 6.730 3.854 1.00 0.00 N ATOM 946 CA ASN A 776 -9.766 7.394 2.535 1.00 0.00 C ATOM 947 C ASN A 776 -8.562 8.320 2.438 1.00 0.00 C ATOM 948 O ASN A 776 -8.359 8.991 1.430 1.00 0.00 O ATOM 949 CB ASN A 776 -11.063 8.159 2.220 1.00 0.00 C ATOM 950 CG ASN A 776 -12.149 7.282 1.618 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.031 7.769 0.908 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.085 5.987 1.873 1.00 0.00 N ATOM 0 H ASN A 776 -9.363 5.807 3.848 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.679 6.607 1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.440 8.614 3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -10.838 8.972 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.780 5.354 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.340 5.620 2.465 1.00 0.00 H new ATOM 959 N GLU A 777 -7.760 8.312 3.493 1.00 0.00 N ATOM 960 CA GLU A 777 -6.491 9.029 3.550 1.00 0.00 C ATOM 961 C GLU A 777 -5.647 8.468 4.683 1.00 0.00 C ATOM 962 O GLU A 777 -5.671 8.982 5.800 1.00 0.00 O ATOM 963 CB GLU A 777 -6.704 10.523 3.752 1.00 0.00 C ATOM 964 CG GLU A 777 -6.779 11.296 2.451 1.00 0.00 C ATOM 965 CD GLU A 777 -6.453 12.759 2.617 1.00 0.00 C ATOM 966 OE1 GLU A 777 -7.355 13.538 2.983 1.00 0.00 O ATOM 967 OE2 GLU A 777 -5.285 13.138 2.377 1.00 0.00 O ATOM 0 H GLU A 777 -7.975 7.799 4.348 1.00 0.00 H new ATOM 0 HA GLU A 777 -5.976 8.892 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.625 10.680 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.890 10.921 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.089 10.855 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.781 11.197 2.033 1.00 0.00 H new ATOM 974 N TYR A 778 -4.904 7.419 4.396 1.00 0.00 N ATOM 975 CA TYR A 778 -4.161 6.710 5.434 1.00 0.00 C ATOM 976 C TYR A 778 -2.744 6.483 4.976 1.00 0.00 C ATOM 977 O TYR A 778 -2.523 6.029 3.863 1.00 0.00 O ATOM 978 CB TYR A 778 -4.824 5.368 5.772 1.00 0.00 C ATOM 979 CG TYR A 778 -3.993 4.466 6.663 1.00 0.00 C ATOM 980 CD1 TYR A 778 -3.894 4.691 8.031 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.305 3.384 6.125 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.131 3.863 8.835 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.544 2.553 6.922 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.458 2.796 8.275 1.00 0.00 C ATOM 985 OH TYR A 778 -1.691 1.969 9.067 1.00 0.00 O ATOM 0 H TYR A 778 -4.794 7.034 3.458 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.161 7.322 6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.779 5.561 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.042 4.840 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.420 5.524 8.473 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.367 3.190 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.062 4.051 9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.018 1.716 6.487 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.287 1.268 8.514 1.00 0.00 H new ATOM 995 N VAL A 779 -1.777 6.805 5.806 1.00 0.00 N ATOM 996 CA VAL A 779 -0.418 6.535 5.430 1.00 0.00 C ATOM 997 C VAL A 779 0.046 5.229 6.037 1.00 0.00 C ATOM 998 O VAL A 779 -0.167 4.929 7.213 1.00 0.00 O ATOM 999 CB VAL A 779 0.555 7.702 5.699 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.182 8.981 5.991 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.556 7.337 6.743 1.00 0.00 C ATOM 0 H VAL A 779 -1.905 7.241 6.719 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.406 6.430 4.345 1.00 0.00 H new ATOM 0 HB VAL A 779 1.123 7.893 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.536 9.780 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -0.807 9.244 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -0.809 8.846 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.229 8.178 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 779 1.040 7.092 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 779 2.132 6.474 6.409 1.00 0.00 H new ATOM 1011 N ILE A 780 0.644 4.452 5.174 1.00 0.00 N ATOM 1012 CA ILE A 780 1.007 3.087 5.437 1.00 0.00 C ATOM 1013 C ILE A 780 2.400 3.023 6.041 1.00 0.00 C ATOM 1014 O ILE A 780 3.243 3.862 5.744 1.00 0.00 O ATOM 1015 CB ILE A 780 0.967 2.308 4.106 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.459 2.171 3.589 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.621 0.947 4.221 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.494 1.568 2.211 1.00 0.00 C ATOM 0 H ILE A 780 0.900 4.763 4.237 1.00 0.00 H new ATOM 0 HA ILE A 780 0.308 2.645 6.147 1.00 0.00 H new ATOM 0 HB ILE A 780 1.542 2.890 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.036 1.549 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -0.935 3.151 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.569 0.436 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.665 1.068 4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.101 0.356 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.528 1.486 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 780 0.062 2.204 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.041 0.577 2.236 1.00 0.00 H new ATOM 1030 N LYS A 781 2.641 2.058 6.900 1.00 0.00 N ATOM 1031 CA LYS A 781 3.964 1.884 7.445 1.00 0.00 C ATOM 1032 C LYS A 781 4.560 0.593 6.927 1.00 0.00 C ATOM 1033 O LYS A 781 4.106 -0.502 7.270 1.00 0.00 O ATOM 1034 CB LYS A 781 3.962 1.885 8.961 1.00 0.00 C ATOM 1035 CG LYS A 781 5.322 2.232 9.515 1.00 0.00 C ATOM 1036 CD LYS A 781 5.328 3.613 10.140 1.00 0.00 C ATOM 1037 CE LYS A 781 5.164 4.712 9.104 1.00 0.00 C ATOM 1038 NZ LYS A 781 5.208 6.065 9.724 1.00 0.00 N ATOM 0 H LYS A 781 1.946 1.390 7.232 1.00 0.00 H new ATOM 0 HA LYS A 781 4.571 2.730 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.226 2.602 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 781 3.659 0.904 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 781 5.612 1.492 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 781 6.064 2.189 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 781 4.523 3.682 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 781 6.263 3.762 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 781 5.953 4.628 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 781 4.216 4.582 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 4.738 6.749 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 4.719 6.042 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 6.198 6.350 9.866 1.00 0.00 H new ATOM 1052 N THR A 782 5.557 0.730 6.086 1.00 0.00 N ATOM 1053 CA THR A 782 6.198 -0.408 5.472 1.00 0.00 C ATOM 1054 C THR A 782 7.292 -0.970 6.369 1.00 0.00 C ATOM 1055 O THR A 782 8.015 -0.212 7.029 1.00 0.00 O ATOM 1056 CB THR A 782 6.777 -0.017 4.119 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.454 1.227 4.237 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.675 0.110 3.115 1.00 0.00 C ATOM 0 H THR A 782 5.946 1.631 5.809 1.00 0.00 H new ATOM 0 HA THR A 782 5.446 -1.184 5.327 1.00 0.00 H new ATOM 0 HB THR A 782 7.477 -0.786 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 782 7.151 1.833 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.094 0.390 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.155 -0.844 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 782 4.972 0.876 3.441 1.00 0.00 H new ATOM 1066 N PRO A 783 7.421 -2.309 6.385 1.00 0.00 N ATOM 1067 CA PRO A 783 8.336 -3.028 7.284 1.00 0.00 C ATOM 1068 C PRO A 783 9.794 -2.633 7.098 1.00 0.00 C ATOM 1069 O PRO A 783 10.182 -2.086 6.065 1.00 0.00 O ATOM 1070 CB PRO A 783 8.148 -4.497 6.887 1.00 0.00 C ATOM 1071 CG PRO A 783 6.824 -4.546 6.215 1.00 0.00 C ATOM 1072 CD PRO A 783 6.688 -3.236 5.507 1.00 0.00 C ATOM 0 HA PRO A 783 8.112 -2.808 8.328 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.942 -4.830 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.172 -5.148 7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.770 -5.379 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 783 6.021 -4.686 6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 783 7.119 -3.271 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.644 -2.945 5.394 1.00 0.00 H new ATOM 1080 N VAL A 784 10.590 -2.921 8.119 1.00 0.00 N ATOM 1081 CA VAL A 784 12.016 -2.672 8.094 1.00 0.00 C ATOM 1082 C VAL A 784 12.689 -3.427 6.959 1.00 0.00 C ATOM 1083 O VAL A 784 12.710 -4.661 6.934 1.00 0.00 O ATOM 1084 CB VAL A 784 12.650 -3.063 9.442 1.00 0.00 C ATOM 1085 CG1 VAL A 784 14.166 -3.072 9.367 1.00 0.00 C ATOM 1086 CG2 VAL A 784 12.173 -2.110 10.515 1.00 0.00 C ATOM 0 H VAL A 784 10.258 -3.336 8.990 1.00 0.00 H new ATOM 0 HA VAL A 784 12.167 -1.606 7.925 1.00 0.00 H new ATOM 0 HB VAL A 784 12.336 -4.077 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.577 -3.352 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.489 -3.792 8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.523 -2.078 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.620 -2.384 11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.467 -1.093 10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 784 11.087 -2.165 10.594 1.00 0.00 H new ATOM 1096 N PHE A 785 13.234 -2.674 6.021 1.00 0.00 N ATOM 1097 CA PHE A 785 13.897 -3.253 4.866 1.00 0.00 C ATOM 1098 C PHE A 785 15.393 -3.358 5.116 1.00 0.00 C ATOM 1099 O PHE A 785 16.143 -2.405 4.895 1.00 0.00 O ATOM 1100 CB PHE A 785 13.637 -2.417 3.609 1.00 0.00 C ATOM 1101 CG PHE A 785 12.180 -2.218 3.289 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.327 -3.301 3.132 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.667 -0.942 3.133 1.00 0.00 C ATOM 1104 CE1 PHE A 785 9.992 -3.109 2.825 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.335 -0.747 2.828 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.497 -1.832 2.675 1.00 0.00 C ATOM 0 H PHE A 785 13.230 -1.654 6.037 1.00 0.00 H new ATOM 0 HA PHE A 785 13.489 -4.251 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.107 -1.441 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.121 -2.899 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.709 -4.304 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.317 -0.088 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.338 -3.960 2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 785 9.949 0.255 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.454 -1.681 2.438 1.00 0.00 H new ATOM 1116 N THR A 786 15.830 -4.523 5.565 1.00 0.00 N ATOM 1117 CA THR A 786 17.234 -4.755 5.870 1.00 0.00 C ATOM 1118 C THR A 786 17.985 -5.194 4.629 1.00 0.00 C ATOM 1119 O THR A 786 18.903 -6.012 4.677 1.00 0.00 O ATOM 1120 CB THR A 786 17.378 -5.792 6.983 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.630 -6.976 6.668 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.876 -5.197 8.277 1.00 0.00 C ATOM 0 H THR A 786 15.227 -5.330 5.728 1.00 0.00 H new ATOM 0 HA THR A 786 17.668 -3.818 6.218 1.00 0.00 H new ATOM 0 HB THR A 786 18.428 -6.067 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.734 -7.631 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.975 -5.930 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.462 -4.311 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.828 -4.919 8.167 1.00 0.00 H new ATOM 1130 N THR A 787 17.571 -4.633 3.516 1.00 0.00 N ATOM 1131 CA THR A 787 18.175 -4.921 2.231 1.00 0.00 C ATOM 1132 C THR A 787 18.017 -3.745 1.282 1.00 0.00 C ATOM 1133 O THR A 787 16.900 -3.428 0.866 1.00 0.00 O ATOM 1134 CB THR A 787 17.567 -6.168 1.582 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.649 -7.288 2.476 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.284 -6.497 0.282 1.00 0.00 C ATOM 0 H THR A 787 16.804 -3.962 3.474 1.00 0.00 H new ATOM 0 HA THR A 787 19.233 -5.104 2.417 1.00 0.00 H new ATOM 0 HB THR A 787 16.519 -5.961 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.255 -8.077 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 787 17.838 -7.386 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.190 -5.658 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.339 -6.683 0.485 1.00 0.00 H new ATOM 1144 N GLY A 788 19.127 -3.067 1.000 1.00 0.00 N ATOM 1145 CA GLY A 788 19.149 -2.078 -0.054 1.00 0.00 C ATOM 1146 C GLY A 788 18.627 -2.628 -1.364 1.00 0.00 C ATOM 1147 O GLY A 788 19.269 -3.459 -2.005 1.00 0.00 O ATOM 0 H GLY A 788 20.014 -3.189 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.547 -1.219 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 788 20.169 -1.720 -0.193 1.00 0.00 H new ATOM 1151 N GLY A 789 17.454 -2.164 -1.739 1.00 0.00 N ATOM 1152 CA GLY A 789 16.821 -2.603 -2.960 1.00 0.00 C ATOM 1153 C GLY A 789 15.620 -1.749 -3.278 1.00 0.00 C ATOM 1154 O GLY A 789 15.262 -0.868 -2.495 1.00 0.00 O ATOM 0 H GLY A 789 16.917 -1.477 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.535 -2.555 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.516 -3.645 -2.863 1.00 0.00 H new ATOM 1158 N ASP A 790 14.986 -1.997 -4.407 1.00 0.00 N ATOM 1159 CA ASP A 790 13.841 -1.204 -4.805 1.00 0.00 C ATOM 1160 C ASP A 790 12.550 -1.967 -4.556 1.00 0.00 C ATOM 1161 O ASP A 790 12.434 -3.152 -4.872 1.00 0.00 O ATOM 1162 CB ASP A 790 13.945 -0.758 -6.273 1.00 0.00 C ATOM 1163 CG ASP A 790 14.747 -1.706 -7.150 1.00 0.00 C ATOM 1164 OD1 ASP A 790 15.540 -1.217 -7.984 1.00 0.00 O ATOM 1165 OD2 ASP A 790 14.600 -2.934 -7.018 1.00 0.00 O ATOM 0 H ASP A 790 15.242 -2.737 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 790 13.831 -0.303 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 790 12.940 -0.660 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 790 14.403 0.231 -6.311 1.00 0.00 H new ATOM 1170 N TYR A 791 11.596 -1.282 -3.951 1.00 0.00 N ATOM 1171 CA TYR A 791 10.307 -1.865 -3.630 1.00 0.00 C ATOM 1172 C TYR A 791 9.201 -1.036 -4.255 1.00 0.00 C ATOM 1173 O TYR A 791 9.340 0.169 -4.416 1.00 0.00 O ATOM 1174 CB TYR A 791 10.112 -1.931 -2.109 1.00 0.00 C ATOM 1175 CG TYR A 791 11.192 -2.707 -1.393 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.371 -2.088 -1.001 1.00 0.00 C ATOM 1177 CD2 TYR A 791 11.040 -4.059 -1.124 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.370 -2.797 -0.363 1.00 0.00 C ATOM 1179 CE2 TYR A 791 12.033 -4.773 -0.481 1.00 0.00 C ATOM 1180 CZ TYR A 791 13.197 -4.139 -0.106 1.00 0.00 C ATOM 1181 OH TYR A 791 14.194 -4.850 0.528 1.00 0.00 O ATOM 0 H TYR A 791 11.694 -0.307 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 791 10.271 -2.878 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.081 -0.917 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 791 9.146 -2.387 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.509 -1.035 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 791 10.132 -4.562 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.283 -2.301 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.897 -5.824 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 791 15.000 -4.297 0.592 1.00 0.00 H new ATOM 1191 N ILE A 792 8.118 -1.686 -4.623 1.00 0.00 N ATOM 1192 CA ILE A 792 6.971 -1.013 -5.181 1.00 0.00 C ATOM 1193 C ILE A 792 5.725 -1.436 -4.426 1.00 0.00 C ATOM 1194 O ILE A 792 5.337 -2.603 -4.438 1.00 0.00 O ATOM 1195 CB ILE A 792 6.831 -1.326 -6.684 1.00 0.00 C ATOM 1196 CG1 ILE A 792 8.010 -0.720 -7.449 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.517 -0.781 -7.221 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.439 -1.527 -8.651 1.00 0.00 C ATOM 0 H ILE A 792 8.010 -2.697 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 792 7.104 0.064 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 792 6.834 -2.407 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.741 0.285 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.857 -0.619 -6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.435 -1.011 -8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.686 -1.240 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.487 0.299 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.279 -1.033 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.741 -2.524 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.607 -1.607 -9.351 1.00 0.00 H new ATOM 1210 N LEU A 793 5.124 -0.492 -3.732 1.00 0.00 N ATOM 1211 CA LEU A 793 3.910 -0.761 -3.006 1.00 0.00 C ATOM 1212 C LEU A 793 2.734 -0.623 -3.951 1.00 0.00 C ATOM 1213 O LEU A 793 2.424 0.462 -4.440 1.00 0.00 O ATOM 1214 CB LEU A 793 3.768 0.170 -1.798 1.00 0.00 C ATOM 1215 CG LEU A 793 2.526 -0.062 -0.929 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.070 -1.491 -1.002 1.00 0.00 C ATOM 1217 CD2 LEU A 793 2.766 0.366 0.508 1.00 0.00 C ATOM 0 H LEU A 793 5.460 0.468 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 793 3.940 -1.778 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.654 0.062 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.753 1.200 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 793 1.726 0.562 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.188 -1.624 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.824 -1.742 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.867 -2.146 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 793 1.866 0.188 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 793 3.592 -0.209 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.013 1.427 0.535 1.00 0.00 H new ATOM 1229 N SER A 794 2.098 -1.746 -4.191 1.00 0.00 N ATOM 1230 CA SER A 794 1.023 -1.847 -5.149 1.00 0.00 C ATOM 1231 C SER A 794 -0.211 -2.417 -4.463 1.00 0.00 C ATOM 1232 O SER A 794 -0.117 -2.970 -3.367 1.00 0.00 O ATOM 1233 CB SER A 794 1.460 -2.737 -6.316 1.00 0.00 C ATOM 1234 OG SER A 794 2.040 -3.947 -5.851 1.00 0.00 O ATOM 0 H SER A 794 2.315 -2.625 -3.721 1.00 0.00 H new ATOM 0 HA SER A 794 0.778 -0.860 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 794 0.600 -2.962 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 794 2.179 -2.201 -6.936 1.00 0.00 H new ATOM 0 HG SER A 794 2.308 -4.497 -6.617 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.356 -2.280 -5.097 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.607 -2.718 -4.505 1.00 0.00 C ATOM 1242 C LEU A 795 -2.897 -4.170 -4.858 1.00 0.00 C ATOM 1243 O LEU A 795 -2.588 -4.617 -5.961 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.733 -1.850 -5.021 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.524 -0.354 -4.878 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.615 0.364 -5.628 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -3.533 0.049 -3.412 1.00 0.00 C ATOM 0 H LEU A 795 -1.449 -1.868 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.526 -2.632 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.890 -2.078 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.648 -2.123 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.554 -0.081 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.475 1.441 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.577 0.086 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.584 0.086 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -3.382 1.125 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -4.492 -0.218 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.732 -0.471 -2.887 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.500 -4.904 -3.928 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.862 -6.289 -4.189 1.00 0.00 C ATOM 1261 C VAL A 796 -5.360 -6.431 -4.422 1.00 0.00 C ATOM 1262 O VAL A 796 -5.787 -6.859 -5.494 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.438 -7.212 -3.028 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.959 -8.626 -3.234 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.933 -7.219 -2.919 1.00 0.00 C ATOM 0 H VAL A 796 -3.745 -4.566 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.329 -6.590 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.869 -6.831 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.645 -9.254 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.048 -8.609 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.558 -9.030 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.631 -7.871 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.502 -7.585 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.577 -6.207 -2.728 1.00 0.00 H new ATOM 1275 N SER A 797 -6.145 -6.007 -3.439 1.00 0.00 N ATOM 1276 CA SER A 797 -7.598 -6.163 -3.460 1.00 0.00 C ATOM 1277 C SER A 797 -8.211 -5.507 -2.225 1.00 0.00 C ATOM 1278 O SER A 797 -7.511 -5.241 -1.248 1.00 0.00 O ATOM 1279 CB SER A 797 -7.980 -7.651 -3.487 1.00 0.00 C ATOM 1280 OG SER A 797 -7.835 -8.207 -4.784 1.00 0.00 O ATOM 0 H SER A 797 -5.793 -5.544 -2.601 1.00 0.00 H new ATOM 0 HA SER A 797 -7.982 -5.681 -4.359 1.00 0.00 H new ATOM 0 HB2 SER A 797 -7.354 -8.200 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 797 -9.011 -7.768 -3.154 1.00 0.00 H new ATOM 0 HG SER A 797 -7.287 -7.611 -5.336 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.500 -5.233 -2.280 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.215 -4.667 -1.145 1.00 0.00 C ATOM 1288 C ILE A 798 -11.499 -5.463 -0.930 1.00 0.00 C ATOM 1289 O ILE A 798 -11.930 -6.180 -1.825 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.538 -3.175 -1.380 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.861 -2.475 -0.061 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.707 -3.034 -2.343 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.690 -0.974 -0.120 1.00 0.00 C ATOM 0 H ILE A 798 -10.080 -5.394 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.586 -4.729 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.659 -2.701 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.888 -2.705 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.217 -2.876 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.924 -1.977 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.451 -3.497 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.585 -3.526 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.936 -0.541 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.657 -0.735 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.354 -0.562 -0.880 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.101 -5.354 0.238 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.314 -6.101 0.526 1.00 0.00 C ATOM 1307 C LYS A 799 -14.330 -5.233 1.248 1.00 0.00 C ATOM 1308 O LYS A 799 -14.059 -4.697 2.322 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.981 -7.358 1.335 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.160 -8.018 2.033 1.00 0.00 C ATOM 1311 CD LYS A 799 -14.005 -7.905 3.541 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.832 -8.936 4.276 1.00 0.00 C ATOM 1313 NZ LYS A 799 -14.530 -8.958 5.730 1.00 0.00 N ATOM 0 H LYS A 799 -11.774 -4.760 1.000 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.763 -6.411 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.521 -8.087 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.235 -7.099 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.090 -7.544 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.223 -9.067 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.955 -8.026 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.302 -6.907 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -15.891 -8.723 4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.643 -9.922 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.118 -9.678 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -13.525 -9.186 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -14.735 -8.025 6.141 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.487 -5.075 0.620 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.616 -4.382 1.223 1.00 0.00 C ATOM 1329 C ASP A 800 -17.083 -5.163 2.438 1.00 0.00 C ATOM 1330 O ASP A 800 -16.914 -6.383 2.491 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.753 -4.256 0.199 1.00 0.00 C ATOM 1332 CG ASP A 800 -18.966 -3.518 0.735 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.784 -4.146 1.436 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.115 -2.311 0.447 1.00 0.00 O ATOM 0 H ASP A 800 -15.669 -5.424 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.316 -3.381 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.381 -3.736 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.056 -5.253 -0.122 1.00 0.00 H new ATOM 1339 N SER A 801 -17.684 -4.468 3.399 1.00 0.00 N ATOM 1340 CA SER A 801 -18.058 -5.069 4.672 1.00 0.00 C ATOM 1341 C SER A 801 -19.181 -6.099 4.524 1.00 0.00 C ATOM 1342 O SER A 801 -19.627 -6.688 5.506 1.00 0.00 O ATOM 1343 CB SER A 801 -18.450 -3.976 5.671 1.00 0.00 C ATOM 1344 OG SER A 801 -19.221 -2.958 5.052 1.00 0.00 O ATOM 0 H SER A 801 -17.923 -3.480 3.317 1.00 0.00 H new ATOM 0 HA SER A 801 -17.189 -5.607 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.018 -4.417 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 801 -17.551 -3.539 6.106 1.00 0.00 H new ATOM 0 HG SER A 801 -19.590 -2.364 5.739 1.00 0.00 H new ATOM 1350 N THR A 802 -19.633 -6.312 3.296 1.00 0.00 N ATOM 1351 CA THR A 802 -20.573 -7.378 2.999 1.00 0.00 C ATOM 1352 C THR A 802 -19.808 -8.629 2.576 1.00 0.00 C ATOM 1353 O THR A 802 -20.390 -9.678 2.291 1.00 0.00 O ATOM 1354 CB THR A 802 -21.546 -6.958 1.882 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.811 -6.429 0.768 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.525 -5.910 2.386 1.00 0.00 C ATOM 0 H THR A 802 -19.360 -5.755 2.486 1.00 0.00 H new ATOM 0 HA THR A 802 -21.154 -7.589 3.897 1.00 0.00 H new ATOM 0 HB THR A 802 -22.106 -7.838 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.709 -5.460 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.203 -5.628 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.100 -6.319 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 802 -21.976 -5.031 2.722 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.487 -8.496 2.555 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.614 -9.566 2.126 1.00 0.00 C ATOM 1366 C GLY A 803 -17.517 -9.641 0.624 1.00 0.00 C ATOM 1367 O GLY A 803 -17.541 -10.726 0.043 1.00 0.00 O ATOM 0 H GLY A 803 -17.999 -7.645 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.620 -9.415 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.984 -10.515 2.514 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.414 -8.483 -0.006 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.302 -8.417 -1.455 1.00 0.00 C ATOM 1373 C CYS A 804 -15.934 -7.881 -1.852 1.00 0.00 C ATOM 1374 O CYS A 804 -15.610 -6.727 -1.576 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.408 -7.534 -2.036 1.00 0.00 C ATOM 1376 SG CYS A 804 -20.078 -8.071 -1.600 1.00 0.00 S ATOM 0 H CYS A 804 -17.406 -7.576 0.461 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.415 -9.423 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -18.263 -6.511 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.314 -7.518 -3.122 1.00 0.00 H new ATOM 0 HG CYS A 804 -20.588 -7.244 -0.736 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.135 -8.719 -2.490 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.785 -8.334 -2.872 1.00 0.00 C ATOM 1384 C VAL A 805 -13.784 -7.631 -4.225 1.00 0.00 C ATOM 1385 O VAL A 805 -14.444 -8.061 -5.169 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.829 -9.553 -2.900 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -13.304 -10.608 -3.890 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.405 -9.120 -3.219 1.00 0.00 C ATOM 0 H VAL A 805 -15.396 -9.669 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.420 -7.639 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.837 -10.000 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.611 -11.450 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -14.297 -10.954 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -13.344 -10.177 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.753 -9.994 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.382 -8.635 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -11.058 -8.421 -2.458 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.063 -6.528 -4.293 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.943 -5.764 -5.515 1.00 0.00 C ATOM 1400 C VAL A 806 -11.483 -5.620 -5.907 1.00 0.00 C ATOM 1401 O VAL A 806 -10.620 -5.344 -5.067 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.603 -4.374 -5.381 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.247 -3.479 -6.558 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -15.107 -4.528 -5.288 1.00 0.00 C ATOM 0 H VAL A 806 -12.546 -6.139 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.469 -6.308 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.226 -3.904 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.726 -2.508 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -12.166 -3.347 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.593 -3.940 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.568 -3.545 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.479 -5.018 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.358 -5.132 -4.416 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.228 -5.838 -7.184 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.883 -5.747 -7.713 1.00 0.00 C ATOM 1416 C GLY A 807 -9.347 -4.334 -7.654 1.00 0.00 C ATOM 1417 O GLY A 807 -9.993 -3.394 -8.124 1.00 0.00 O ATOM 0 H GLY A 807 -11.938 -6.080 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.226 -6.408 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.875 -6.095 -8.746 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.173 -4.180 -7.065 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.576 -2.868 -6.900 1.00 0.00 C ATOM 1423 C LEU A 808 -6.685 -2.503 -8.074 1.00 0.00 C ATOM 1424 O LEU A 808 -5.787 -3.262 -8.440 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.765 -2.822 -5.615 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.574 -2.875 -4.331 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -6.670 -2.704 -3.127 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.641 -1.813 -4.353 1.00 0.00 C ATOM 0 H LEU A 808 -7.615 -4.949 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.388 -2.142 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.064 -3.657 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.171 -1.908 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.055 -3.850 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.266 -2.745 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -5.929 -3.503 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.163 -1.741 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.217 -1.857 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.176 -0.832 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.304 -1.981 -5.202 1.00 0.00 H new ATOM 1440 N SER A 809 -6.940 -1.345 -8.664 1.00 0.00 N ATOM 1441 CA SER A 809 -6.076 -0.819 -9.701 1.00 0.00 C ATOM 1442 C SER A 809 -6.081 0.712 -9.694 1.00 0.00 C ATOM 1443 O SER A 809 -6.845 1.357 -10.414 1.00 0.00 O ATOM 1444 CB SER A 809 -6.499 -1.366 -11.068 1.00 0.00 C ATOM 1445 OG SER A 809 -7.910 -1.337 -11.220 1.00 0.00 O ATOM 0 H SER A 809 -7.740 -0.754 -8.440 1.00 0.00 H new ATOM 0 HA SER A 809 -5.055 -1.145 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.034 -0.777 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 809 -6.140 -2.389 -11.180 1.00 0.00 H new ATOM 0 HG SER A 809 -8.240 -0.432 -11.042 1.00 0.00 H new ATOM 1451 N GLN A 810 -5.217 1.268 -8.860 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.951 2.703 -8.807 1.00 0.00 C ATOM 1453 C GLN A 810 -3.439 2.887 -8.594 1.00 0.00 C ATOM 1454 O GLN A 810 -2.758 1.901 -8.301 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.777 3.379 -7.696 1.00 0.00 C ATOM 1456 CG GLN A 810 -7.275 3.382 -7.964 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.074 4.193 -6.955 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.693 4.347 -5.802 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -9.204 4.715 -7.387 1.00 0.00 N ATOM 0 H GLN A 810 -4.670 0.729 -8.188 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.251 3.183 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.587 2.868 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.436 4.407 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -7.456 3.780 -8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.638 2.354 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -9.496 4.570 -8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.787 5.264 -6.755 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.884 4.110 -8.749 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.424 4.348 -8.694 1.00 0.00 C ATOM 1470 C PRO A 811 -0.690 3.652 -7.537 1.00 0.00 C ATOM 1471 O PRO A 811 -1.148 3.640 -6.390 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.327 5.860 -8.540 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.535 6.382 -9.234 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.621 5.360 -9.018 1.00 0.00 C ATOM 0 HA PRO A 811 -0.941 3.937 -9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.315 6.152 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.412 6.247 -8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -2.827 7.351 -8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.341 6.525 -10.297 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.265 5.632 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.261 5.266 -9.895 1.00 0.00 H new ATOM 1482 N ASP A 812 0.469 3.092 -7.873 1.00 0.00 N ATOM 1483 CA ASP A 812 1.350 2.418 -6.915 1.00 0.00 C ATOM 1484 C ASP A 812 2.533 3.313 -6.564 1.00 0.00 C ATOM 1485 O ASP A 812 2.785 4.314 -7.239 1.00 0.00 O ATOM 1486 CB ASP A 812 1.867 1.090 -7.477 1.00 0.00 C ATOM 1487 CG ASP A 812 2.457 1.214 -8.869 1.00 0.00 C ATOM 1488 OD1 ASP A 812 3.644 1.580 -8.993 1.00 0.00 O ATOM 1489 OD2 ASP A 812 1.737 0.932 -9.850 1.00 0.00 O ATOM 0 H ASP A 812 0.829 3.092 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 812 0.767 2.213 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.625 0.689 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.049 0.370 -7.500 1.00 0.00 H new ATOM 1494 N ALA A 813 3.259 2.952 -5.516 1.00 0.00 N ATOM 1495 CA ALA A 813 4.381 3.766 -5.048 1.00 0.00 C ATOM 1496 C ALA A 813 5.685 2.988 -5.100 1.00 0.00 C ATOM 1497 O ALA A 813 5.676 1.766 -5.155 1.00 0.00 O ATOM 1498 CB ALA A 813 4.136 4.242 -3.631 1.00 0.00 C ATOM 0 H ALA A 813 3.095 2.105 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 813 4.461 4.627 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.980 4.846 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.227 4.842 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.024 3.381 -2.972 1.00 0.00 H new ATOM 1504 N LYS A 814 6.803 3.695 -5.079 1.00 0.00 N ATOM 1505 CA LYS A 814 8.097 3.054 -5.078 1.00 0.00 C ATOM 1506 C LYS A 814 8.928 3.509 -3.879 1.00 0.00 C ATOM 1507 O LYS A 814 9.133 4.698 -3.664 1.00 0.00 O ATOM 1508 CB LYS A 814 8.831 3.368 -6.376 1.00 0.00 C ATOM 1509 CG LYS A 814 9.910 2.363 -6.709 1.00 0.00 C ATOM 1510 CD LYS A 814 10.645 2.747 -7.978 1.00 0.00 C ATOM 1511 CE LYS A 814 11.726 1.739 -8.329 1.00 0.00 C ATOM 1512 NZ LYS A 814 12.437 2.111 -9.580 1.00 0.00 N ATOM 0 H LYS A 814 6.835 4.714 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 814 7.950 1.977 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.111 3.402 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.278 4.360 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.617 2.297 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.466 1.375 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 814 9.935 2.820 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 814 11.093 3.733 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 814 12.442 1.672 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 814 11.280 0.751 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 13.167 1.401 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 11.758 2.150 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 12.884 3.043 -9.461 1.00 0.00 H new ATOM 1526 N ILE A 815 9.392 2.546 -3.106 1.00 0.00 N ATOM 1527 CA ILE A 815 10.260 2.796 -1.967 1.00 0.00 C ATOM 1528 C ILE A 815 11.659 2.285 -2.308 1.00 0.00 C ATOM 1529 O ILE A 815 11.836 1.101 -2.584 1.00 0.00 O ATOM 1530 CB ILE A 815 9.748 2.073 -0.698 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.334 2.540 -0.317 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.705 2.285 0.461 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.215 1.765 -0.992 1.00 0.00 C ATOM 0 H ILE A 815 9.176 1.560 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 815 10.274 3.866 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 815 9.700 1.007 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.216 2.458 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.233 3.595 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.327 1.769 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.686 1.888 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.790 3.351 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.252 2.159 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.303 1.867 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.286 0.712 -0.720 1.00 0.00 H new ATOM 1545 N GLN A 816 12.642 3.167 -2.313 1.00 0.00 N ATOM 1546 CA GLN A 816 13.982 2.799 -2.734 1.00 0.00 C ATOM 1547 C GLN A 816 14.938 2.758 -1.546 1.00 0.00 C ATOM 1548 O GLN A 816 15.237 3.780 -0.934 1.00 0.00 O ATOM 1549 CB GLN A 816 14.488 3.778 -3.793 1.00 0.00 C ATOM 1550 CG GLN A 816 15.833 3.385 -4.376 1.00 0.00 C ATOM 1551 CD GLN A 816 16.963 4.278 -3.907 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.552 3.939 -2.775 1.00 0.00 O flip ATOM 1553 NE2 GLN A 816 17.300 5.268 -4.556 1.00 0.00 N flip ATOM 0 H GLN A 816 12.538 4.142 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 816 13.942 1.800 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.756 3.843 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.567 4.772 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.054 2.353 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.776 3.421 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 816 16.819 5.495 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.060 5.861 -4.224 1.00 0.00 H new ATOM 1562 N VAL A 817 15.428 1.572 -1.245 1.00 0.00 N ATOM 1563 CA VAL A 817 16.349 1.371 -0.138 1.00 0.00 C ATOM 1564 C VAL A 817 17.769 1.188 -0.658 1.00 0.00 C ATOM 1565 O VAL A 817 17.978 0.556 -1.687 1.00 0.00 O ATOM 1566 CB VAL A 817 15.939 0.128 0.684 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.918 -0.145 1.815 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.538 0.309 1.237 1.00 0.00 C ATOM 0 H VAL A 817 15.201 0.720 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 817 16.311 2.252 0.502 1.00 0.00 H new ATOM 0 HB VAL A 817 15.956 -0.734 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.596 -1.026 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.912 -0.319 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.949 0.714 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 817 14.258 -0.572 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 817 14.512 1.188 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.836 0.441 0.414 1.00 0.00 H new ATOM 1578 N ARG A 818 18.734 1.765 0.038 1.00 0.00 N ATOM 1579 CA ARG A 818 20.143 1.536 -0.259 1.00 0.00 C ATOM 1580 C ARG A 818 20.908 1.464 1.042 1.00 0.00 C ATOM 1581 O ARG A 818 20.482 2.027 2.046 1.00 0.00 O ATOM 1582 CB ARG A 818 20.739 2.643 -1.139 1.00 0.00 C ATOM 1583 CG ARG A 818 20.256 2.641 -2.580 1.00 0.00 C ATOM 1584 CD ARG A 818 20.612 1.352 -3.297 1.00 0.00 C ATOM 1585 NE ARG A 818 20.162 1.364 -4.688 1.00 0.00 N ATOM 1586 CZ ARG A 818 19.983 0.269 -5.426 1.00 0.00 C ATOM 1587 NH1 ARG A 818 20.233 -0.934 -4.918 1.00 0.00 N ATOM 1588 NH2 ARG A 818 19.554 0.380 -6.676 1.00 0.00 N ATOM 0 H ARG A 818 18.568 2.400 0.819 1.00 0.00 H new ATOM 0 HA ARG A 818 20.224 0.600 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.503 3.609 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 818 21.825 2.546 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 818 19.175 2.781 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 818 20.696 3.485 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.691 1.204 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.159 0.509 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 818 19.973 2.268 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 818 20.564 -1.023 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 818 20.094 -1.768 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 818 19.362 1.301 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 818 19.416 -0.456 -7.244 1.00 0.00 H new