USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 772 SER OG : rot -130:sc= 1.04 USER MOD Set 1.2: A 781 THR OG1 : rot 123:sc= 1.14 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.69 K(o=-1.9,f=-3.5!) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.256 X(o=-1.9,f=-2.2) USER MOD Set 3.1: A 737 MET CE :methyl -172:sc= -0.522 (180deg=-0.26) USER MOD Set 3.2: A 765 HIS : no HE2:sc= -0.613 X(o=-1.1,f=-1.3) USER MOD Single : A 728 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.25) USER MOD Single : A 732 MET CE :methyl -168:sc= -0.19 (180deg=-0.4) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ -115:sc=-0.000695 (180deg=-0.184) USER MOD Single : A 742 MET CE :methyl 156:sc= -0.761 (180deg=-1.78!) USER MOD Single : A 743 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0.108 USER MOD Single : A 751 ASN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 760 GLN : amide:sc= 0.354 K(o=0.35,f=-3.1!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -120:sc= -0.335 (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -3.195 6.247 -13.277 1.00 1.00 N ATOM 2 CA GLY A 725 -2.529 5.087 -12.669 1.00 1.00 C ATOM 3 C GLY A 725 -1.042 5.351 -12.506 1.00 1.00 C ATOM 4 O GLY A 725 -0.519 6.354 -13.003 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.975 4.872 -11.698 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.682 4.205 -13.291 1.00 1.00 H new ATOM 8 N VAL A 726 -0.343 4.462 -11.792 1.00 1.00 N ATOM 9 CA VAL A 726 1.077 4.600 -11.536 1.00 1.00 C ATOM 10 C VAL A 726 1.714 3.217 -11.584 1.00 1.00 C ATOM 11 O VAL A 726 1.451 2.378 -10.719 1.00 1.00 O ATOM 12 CB VAL A 726 1.358 5.285 -10.197 1.00 1.00 C ATOM 13 CG1 VAL A 726 2.788 5.847 -10.215 1.00 1.00 C ATOM 14 CG2 VAL A 726 0.385 6.397 -9.802 1.00 1.00 C ATOM 0 H VAL A 726 -0.757 3.627 -11.378 1.00 1.00 H new ATOM 0 HA VAL A 726 1.512 5.239 -12.304 1.00 1.00 H new ATOM 0 HB VAL A 726 1.225 4.510 -9.442 1.00 1.00 H new ATOM 0 HG11 VAL A 726 2.998 6.338 -9.265 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.497 5.033 -10.368 1.00 1.00 H new ATOM 0 HG13 VAL A 726 2.885 6.570 -11.025 1.00 1.00 H new ATOM 0 HG21 VAL A 726 0.679 6.812 -8.838 1.00 1.00 H new ATOM 0 HG22 VAL A 726 0.405 7.183 -10.557 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -0.623 5.989 -9.730 1.00 1.00 H new ATOM 24 N ASP A 727 2.548 2.990 -12.596 1.00 1.00 N ATOM 25 CA ASP A 727 3.331 1.769 -12.737 1.00 1.00 C ATOM 26 C ASP A 727 4.225 1.634 -11.510 1.00 1.00 C ATOM 27 O ASP A 727 4.237 0.593 -10.874 1.00 1.00 O ATOM 28 CB ASP A 727 4.172 1.840 -14.014 1.00 1.00 C ATOM 29 CG ASP A 727 4.822 0.512 -14.409 1.00 1.00 C ATOM 30 OD1 ASP A 727 5.063 -0.378 -13.569 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.059 0.346 -15.628 1.00 1.00 O ATOM 0 H ASP A 727 2.700 3.659 -13.351 1.00 1.00 H new ATOM 0 HA ASP A 727 2.677 0.900 -12.811 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.540 2.181 -14.834 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.953 2.589 -13.881 1.00 1.00 H new ATOM 36 N HIS A 728 4.884 2.724 -11.103 1.00 1.00 N ATOM 37 CA HIS A 728 5.850 2.758 -10.011 1.00 1.00 C ATOM 38 C HIS A 728 5.300 2.135 -8.722 1.00 1.00 C ATOM 39 O HIS A 728 5.920 1.231 -8.151 1.00 1.00 O ATOM 40 CB HIS A 728 6.296 4.208 -9.757 1.00 1.00 C ATOM 41 CG HIS A 728 6.642 5.006 -10.988 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.436 6.357 -11.128 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.252 4.558 -12.130 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.924 6.732 -12.319 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.458 5.673 -12.951 1.00 1.00 N ATOM 0 H HIS A 728 4.752 3.635 -11.542 1.00 1.00 H new ATOM 0 HA HIS A 728 6.707 2.156 -10.312 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.500 4.726 -9.221 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.165 4.192 -9.099 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.523 3.537 -12.355 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.893 7.737 -12.713 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.925 5.680 -13.858 1.00 1.00 H new ATOM 53 N PHE A 729 4.146 2.618 -8.244 1.00 1.00 N ATOM 54 CA PHE A 729 3.528 2.055 -7.052 1.00 1.00 C ATOM 55 C PHE A 729 3.168 0.605 -7.295 1.00 1.00 C ATOM 56 O PHE A 729 3.497 -0.233 -6.461 1.00 1.00 O ATOM 57 CB PHE A 729 2.296 2.848 -6.598 1.00 1.00 C ATOM 58 CG PHE A 729 2.659 4.093 -5.822 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.140 3.978 -4.503 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.552 5.359 -6.419 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.526 5.127 -3.794 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.950 6.506 -5.717 1.00 1.00 C ATOM 63 CZ PHE A 729 3.426 6.390 -4.403 1.00 1.00 C ATOM 0 H PHE A 729 3.630 3.391 -8.665 1.00 1.00 H new ATOM 0 HA PHE A 729 4.257 2.119 -6.244 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.707 3.128 -7.471 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.666 2.210 -5.979 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.212 3.006 -4.037 1.00 1.00 H new ATOM 0 HD2 PHE A 729 2.162 5.450 -7.422 1.00 1.00 H new ATOM 0 HE1 PHE A 729 3.899 5.041 -2.784 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.890 7.476 -6.187 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.717 7.275 -3.857 1.00 1.00 H new ATOM 73 N ARG A 730 2.520 0.296 -8.418 1.00 1.00 N ATOM 74 CA ARG A 730 2.114 -1.067 -8.721 1.00 1.00 C ATOM 75 C ARG A 730 3.321 -1.999 -8.718 1.00 1.00 C ATOM 76 O ARG A 730 3.220 -3.055 -8.112 1.00 1.00 O ATOM 77 CB ARG A 730 1.294 -1.058 -10.025 1.00 1.00 C ATOM 78 CG ARG A 730 0.471 -2.333 -10.257 1.00 1.00 C ATOM 79 CD ARG A 730 1.231 -3.362 -11.092 1.00 1.00 C ATOM 80 NE ARG A 730 0.410 -4.552 -11.324 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.352 -4.845 -12.381 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.307 -4.113 -13.490 1.00 1.00 N ATOM 83 NH2 ARG A 730 -1.164 -5.887 -12.291 1.00 1.00 N ATOM 0 H ARG A 730 2.266 0.978 -9.133 1.00 1.00 H new ATOM 0 HA ARG A 730 1.460 -1.470 -7.948 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.620 -0.201 -10.012 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.972 -0.918 -10.867 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.204 -2.772 -9.296 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.461 -2.076 -10.760 1.00 1.00 H new ATOM 0 HD2 ARG A 730 1.519 -2.921 -12.047 1.00 1.00 H new ATOM 0 HD3 ARG A 730 2.151 -3.644 -10.581 1.00 1.00 H new ATOM 0 HE ARG A 730 0.422 -5.250 -10.580 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.319 -3.309 -13.546 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -0.898 -4.355 -14.285 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -1.194 -6.438 -11.433 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -1.760 -6.139 -13.080 1.00 1.00 H new ATOM 97 N ALA A 731 4.464 -1.608 -9.275 1.00 1.00 N ATOM 98 CA ALA A 731 5.693 -2.383 -9.254 1.00 1.00 C ATOM 99 C ALA A 731 6.208 -2.572 -7.829 1.00 1.00 C ATOM 100 O ALA A 731 6.671 -3.667 -7.509 1.00 1.00 O ATOM 101 CB ALA A 731 6.751 -1.712 -10.139 1.00 1.00 C ATOM 0 H ALA A 731 4.559 -0.719 -9.766 1.00 1.00 H new ATOM 0 HA ALA A 731 5.481 -3.374 -9.654 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.669 -2.299 -10.118 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.383 -1.651 -11.163 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.954 -0.708 -9.766 1.00 1.00 H new ATOM 107 N MET A 732 6.139 -1.554 -6.962 1.00 1.00 N ATOM 108 CA MET A 732 6.518 -1.731 -5.560 1.00 1.00 C ATOM 109 C MET A 732 5.599 -2.759 -4.889 1.00 1.00 C ATOM 110 O MET A 732 6.075 -3.656 -4.191 1.00 1.00 O ATOM 111 CB MET A 732 6.484 -0.396 -4.808 1.00 1.00 C ATOM 112 CG MET A 732 7.719 0.458 -5.113 1.00 1.00 C ATOM 113 SD MET A 732 7.881 1.989 -4.151 1.00 1.00 S ATOM 114 CE MET A 732 6.504 2.974 -4.790 1.00 1.00 C ATOM 0 H MET A 732 5.829 -0.613 -7.204 1.00 1.00 H new ATOM 0 HA MET A 732 7.541 -2.105 -5.525 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.584 0.154 -5.084 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.427 -0.584 -3.736 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.608 -0.150 -4.945 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.706 0.717 -6.172 1.00 1.00 H new ATOM 0 HE1 MET A 732 6.606 4.005 -4.451 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.513 2.948 -5.880 1.00 1.00 H new ATOM 0 HE3 MET A 732 5.563 2.564 -4.425 1.00 1.00 H new ATOM 124 N ILE A 733 4.282 -2.659 -5.099 1.00 1.00 N ATOM 125 CA ILE A 733 3.355 -3.626 -4.517 1.00 1.00 C ATOM 126 C ILE A 733 3.583 -5.016 -5.114 1.00 1.00 C ATOM 127 O ILE A 733 3.532 -5.997 -4.381 1.00 1.00 O ATOM 128 CB ILE A 733 1.866 -3.183 -4.574 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.671 -1.686 -4.244 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.068 -4.037 -3.575 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.345 -1.232 -3.626 1.00 1.00 C ATOM 0 H ILE A 733 3.842 -1.929 -5.659 1.00 1.00 H new ATOM 0 HA ILE A 733 3.580 -3.676 -3.452 1.00 1.00 H new ATOM 0 HB ILE A 733 1.512 -3.329 -5.594 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.470 -1.392 -3.563 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.815 -1.124 -5.167 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.019 -3.741 -3.600 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.155 -5.089 -3.845 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.464 -3.887 -2.571 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.372 -0.156 -3.457 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.474 -1.472 -4.304 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.192 -1.745 -2.676 1.00 1.00 H new ATOM 143 N VAL A 734 3.864 -5.129 -6.406 1.00 1.00 N ATOM 144 CA VAL A 734 4.131 -6.405 -7.060 1.00 1.00 C ATOM 145 C VAL A 734 5.426 -7.022 -6.525 1.00 1.00 C ATOM 146 O VAL A 734 5.469 -8.233 -6.322 1.00 1.00 O ATOM 147 CB VAL A 734 4.055 -6.234 -8.588 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.582 -7.448 -9.355 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.578 -6.066 -8.987 1.00 1.00 C ATOM 0 H VAL A 734 3.914 -4.329 -7.037 1.00 1.00 H new ATOM 0 HA VAL A 734 3.361 -7.137 -6.816 1.00 1.00 H new ATOM 0 HB VAL A 734 4.670 -5.370 -8.840 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.501 -7.265 -10.426 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.626 -7.618 -9.094 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.994 -8.328 -9.092 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.505 -5.943 -10.068 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.016 -6.949 -8.683 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.166 -5.186 -8.493 1.00 1.00 H new ATOM 159 N GLU A 735 6.452 -6.225 -6.219 1.00 1.00 N ATOM 160 CA GLU A 735 7.670 -6.727 -5.597 1.00 1.00 C ATOM 161 C GLU A 735 7.298 -7.318 -4.234 1.00 1.00 C ATOM 162 O GLU A 735 7.703 -8.435 -3.897 1.00 1.00 O ATOM 163 CB GLU A 735 8.683 -5.581 -5.463 1.00 1.00 C ATOM 164 CG GLU A 735 9.938 -5.987 -4.676 1.00 1.00 C ATOM 165 CD GLU A 735 10.826 -4.801 -4.309 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.319 -3.711 -3.961 1.00 1.00 O ATOM 167 OE2 GLU A 735 12.064 -4.977 -4.276 1.00 1.00 O ATOM 0 H GLU A 735 6.458 -5.220 -6.396 1.00 1.00 H new ATOM 0 HA GLU A 735 8.133 -7.505 -6.204 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.976 -5.243 -6.457 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.206 -4.736 -4.967 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.636 -6.503 -3.764 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.516 -6.697 -5.267 1.00 1.00 H new ATOM 174 N PHE A 736 6.509 -6.579 -3.452 1.00 1.00 N ATOM 175 CA PHE A 736 6.022 -7.019 -2.157 1.00 1.00 C ATOM 176 C PHE A 736 5.135 -8.266 -2.274 1.00 1.00 C ATOM 177 O PHE A 736 5.213 -9.128 -1.401 1.00 1.00 O ATOM 178 CB PHE A 736 5.339 -5.819 -1.492 1.00 1.00 C ATOM 179 CG PHE A 736 4.523 -6.070 -0.241 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.991 -6.922 0.781 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.293 -5.402 -0.086 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.214 -7.122 1.933 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.520 -5.602 1.066 1.00 1.00 C ATOM 184 CZ PHE A 736 2.970 -6.481 2.059 1.00 1.00 C ATOM 0 H PHE A 736 6.190 -5.645 -3.710 1.00 1.00 H new ATOM 0 HA PHE A 736 6.843 -7.346 -1.519 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.110 -5.089 -1.247 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.685 -5.355 -2.230 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.944 -7.419 0.678 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.944 -4.733 -0.858 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.572 -7.768 2.721 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.582 -5.081 1.187 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.356 -6.668 2.928 1.00 1.00 H new ATOM 194 N MET A 737 4.351 -8.418 -3.343 1.00 1.00 N ATOM 195 CA MET A 737 3.541 -9.601 -3.624 1.00 1.00 C ATOM 196 C MET A 737 4.445 -10.796 -3.905 1.00 1.00 C ATOM 197 O MET A 737 4.295 -11.834 -3.265 1.00 1.00 O ATOM 198 CB MET A 737 2.592 -9.348 -4.805 1.00 1.00 C ATOM 199 CG MET A 737 1.464 -8.359 -4.468 1.00 1.00 C ATOM 200 SD MET A 737 -0.058 -9.106 -3.834 1.00 1.00 S ATOM 201 CE MET A 737 -0.643 -9.873 -5.370 1.00 1.00 C ATOM 0 H MET A 737 4.261 -7.697 -4.059 1.00 1.00 H new ATOM 0 HA MET A 737 2.931 -9.820 -2.748 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.165 -8.963 -5.649 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.155 -10.295 -5.122 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.835 -7.648 -3.729 1.00 1.00 H new ATOM 0 HG3 MET A 737 1.223 -7.789 -5.365 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.648 -10.267 -5.220 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.660 -9.128 -6.165 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.028 -10.686 -5.649 1.00 1.00 H new ATOM 211 N ALA A 738 5.414 -10.640 -4.811 1.00 1.00 N ATOM 212 CA ALA A 738 6.384 -11.670 -5.156 1.00 1.00 C ATOM 213 C ALA A 738 7.189 -12.118 -3.930 1.00 1.00 C ATOM 214 O ALA A 738 7.632 -13.266 -3.858 1.00 1.00 O ATOM 215 CB ALA A 738 7.312 -11.131 -6.250 1.00 1.00 C ATOM 0 H ALA A 738 5.545 -9.774 -5.333 1.00 1.00 H new ATOM 0 HA ALA A 738 5.853 -12.547 -5.525 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.043 -11.895 -6.516 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.724 -10.869 -7.130 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.830 -10.245 -5.883 1.00 1.00 H new ATOM 221 N SER A 739 7.387 -11.226 -2.960 1.00 1.00 N ATOM 222 CA SER A 739 8.071 -11.519 -1.714 1.00 1.00 C ATOM 223 C SER A 739 7.126 -12.167 -0.685 1.00 1.00 C ATOM 224 O SER A 739 7.524 -13.106 0.012 1.00 1.00 O ATOM 225 CB SER A 739 8.651 -10.195 -1.200 1.00 1.00 C ATOM 226 OG SER A 739 9.721 -10.419 -0.314 1.00 1.00 O ATOM 0 H SER A 739 7.067 -10.260 -3.026 1.00 1.00 H new ATOM 0 HA SER A 739 8.868 -12.245 -1.877 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.992 -9.593 -2.042 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.871 -9.624 -0.696 1.00 1.00 H new ATOM 0 HG SER A 739 10.073 -9.559 -0.003 1.00 1.00 H new ATOM 232 N LYS A 740 5.889 -11.660 -0.576 1.00 1.00 N ATOM 233 CA LYS A 740 4.837 -12.008 0.386 1.00 1.00 C ATOM 234 C LYS A 740 5.395 -12.146 1.796 1.00 1.00 C ATOM 235 O LYS A 740 5.139 -13.133 2.483 1.00 1.00 O ATOM 236 CB LYS A 740 3.854 -13.103 -0.078 1.00 1.00 C ATOM 237 CG LYS A 740 4.456 -14.398 -0.641 1.00 1.00 C ATOM 238 CD LYS A 740 3.300 -15.334 -1.031 1.00 1.00 C ATOM 239 CE LYS A 740 3.690 -16.421 -2.033 1.00 1.00 C ATOM 240 NZ LYS A 740 4.636 -17.400 -1.471 1.00 1.00 N ATOM 0 H LYS A 740 5.573 -10.932 -1.216 1.00 1.00 H new ATOM 0 HA LYS A 740 4.161 -11.154 0.432 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.219 -13.366 0.768 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.206 -12.673 -0.841 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.080 -14.182 -1.509 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.097 -14.874 0.101 1.00 1.00 H new ATOM 0 HD2 LYS A 740 2.910 -15.808 -0.130 1.00 1.00 H new ATOM 0 HD3 LYS A 740 2.491 -14.738 -1.453 1.00 1.00 H new ATOM 0 HE2 LYS A 740 2.792 -16.940 -2.367 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.135 -15.956 -2.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 4.866 -18.113 -2.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.506 -16.912 -1.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.205 -17.866 -0.648 1.00 1.00 H new ATOM 253 N LYS A 741 6.170 -11.142 2.217 1.00 1.00 N ATOM 254 CA LYS A 741 6.831 -11.116 3.514 1.00 1.00 C ATOM 255 C LYS A 741 5.798 -11.007 4.629 1.00 1.00 C ATOM 256 O LYS A 741 5.382 -12.036 5.154 1.00 1.00 O ATOM 257 CB LYS A 741 7.814 -9.936 3.510 1.00 1.00 C ATOM 258 CG LYS A 741 9.125 -10.304 2.802 1.00 1.00 C ATOM 259 CD LYS A 741 10.288 -10.581 3.760 1.00 1.00 C ATOM 260 CE LYS A 741 10.094 -11.799 4.665 1.00 1.00 C ATOM 261 NZ LYS A 741 9.950 -13.054 3.908 1.00 1.00 N ATOM 0 H LYS A 741 6.355 -10.313 1.652 1.00 1.00 H new ATOM 0 HA LYS A 741 7.383 -12.038 3.695 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.357 -9.081 3.012 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.025 -9.632 4.535 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.958 -11.186 2.184 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.405 -9.492 2.131 1.00 1.00 H new ATOM 0 HD2 LYS A 741 11.197 -10.721 3.175 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.443 -9.702 4.385 1.00 1.00 H new ATOM 0 HE2 LYS A 741 10.945 -11.883 5.341 1.00 1.00 H new ATOM 0 HE3 LYS A 741 9.209 -11.649 5.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 8.996 -13.441 4.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 10.095 -12.867 2.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 10.657 -13.742 4.238 1.00 1.00 H new ATOM 274 N MET A 742 5.320 -9.795 4.911 1.00 1.00 N ATOM 275 CA MET A 742 4.263 -9.496 5.867 1.00 1.00 C ATOM 276 C MET A 742 3.638 -8.156 5.508 1.00 1.00 C ATOM 277 O MET A 742 2.447 -8.130 5.219 1.00 1.00 O ATOM 278 CB MET A 742 4.763 -9.466 7.326 1.00 1.00 C ATOM 279 CG MET A 742 4.921 -10.818 8.034 1.00 1.00 C ATOM 280 SD MET A 742 3.384 -11.646 8.548 1.00 1.00 S ATOM 281 CE MET A 742 2.830 -12.574 7.089 1.00 1.00 C ATOM 0 H MET A 742 5.680 -8.957 4.455 1.00 1.00 H new ATOM 0 HA MET A 742 3.526 -10.297 5.805 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.728 -8.959 7.343 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.072 -8.857 7.909 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.466 -11.490 7.370 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.542 -10.671 8.918 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.196 -13.403 7.404 1.00 1.00 H new ATOM 0 HE2 MET A 742 2.264 -11.914 6.431 1.00 1.00 H new ATOM 0 HE3 MET A 742 3.697 -12.963 6.554 1.00 1.00 H new ATOM 291 N GLN A 743 4.406 -7.058 5.459 1.00 1.00 N ATOM 292 CA GLN A 743 3.847 -5.721 5.234 1.00 1.00 C ATOM 293 C GLN A 743 4.773 -4.761 4.486 1.00 1.00 C ATOM 294 O GLN A 743 5.964 -5.031 4.322 1.00 1.00 O ATOM 295 CB GLN A 743 3.407 -5.123 6.574 1.00 1.00 C ATOM 296 CG GLN A 743 4.526 -5.101 7.627 1.00 1.00 C ATOM 297 CD GLN A 743 4.471 -3.827 8.454 1.00 1.00 C ATOM 298 OE1 GLN A 743 3.445 -3.501 9.047 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.557 -3.073 8.473 1.00 1.00 N ATOM 0 H GLN A 743 5.420 -7.072 5.573 1.00 1.00 H new ATOM 0 HA GLN A 743 2.990 -5.851 4.573 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.051 -4.106 6.411 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.565 -5.697 6.961 1.00 1.00 H new ATOM 0 HG2 GLN A 743 4.432 -5.968 8.281 1.00 1.00 H new ATOM 0 HG3 GLN A 743 5.495 -5.177 7.134 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.393 -3.371 7.971 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.558 -2.194 8.990 1.00 1.00 H new ATOM 308 N LEU A 744 4.210 -3.648 4.014 1.00 1.00 N ATOM 309 CA LEU A 744 4.862 -2.520 3.366 1.00 1.00 C ATOM 310 C LEU A 744 4.151 -1.285 3.915 1.00 1.00 C ATOM 311 O LEU A 744 2.929 -1.169 3.809 1.00 1.00 O ATOM 312 CB LEU A 744 4.709 -2.611 1.836 1.00 1.00 C ATOM 313 CG LEU A 744 5.708 -1.763 1.016 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.474 -2.039 -0.472 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.597 -0.255 1.258 1.00 1.00 C ATOM 0 H LEU A 744 3.202 -3.505 4.083 1.00 1.00 H new ATOM 0 HA LEU A 744 5.933 -2.493 3.565 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.816 -3.654 1.539 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.697 -2.306 1.571 1.00 1.00 H new ATOM 0 HG LEU A 744 6.706 -2.056 1.340 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.171 -1.448 -1.066 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.632 -3.098 -0.675 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.452 -1.767 -0.736 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.332 0.267 0.645 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.596 0.084 0.991 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.784 -0.041 2.310 1.00 1.00 H new ATOM 327 N GLU A 745 4.886 -0.393 4.565 1.00 1.00 N ATOM 328 CA GLU A 745 4.398 0.867 5.052 1.00 1.00 C ATOM 329 C GLU A 745 4.734 1.903 3.976 1.00 1.00 C ATOM 330 O GLU A 745 5.917 2.186 3.754 1.00 1.00 O ATOM 331 CB GLU A 745 5.131 1.157 6.360 1.00 1.00 C ATOM 332 CG GLU A 745 4.727 0.220 7.510 1.00 1.00 C ATOM 333 CD GLU A 745 5.500 0.499 8.805 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.752 1.677 9.139 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.878 -0.484 9.492 1.00 1.00 O ATOM 0 H GLU A 745 5.874 -0.543 4.769 1.00 1.00 H new ATOM 0 HA GLU A 745 3.325 0.878 5.243 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.205 1.071 6.192 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.936 2.188 6.656 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.659 0.326 7.700 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.896 -0.813 7.207 1.00 1.00 H new ATOM 342 N PHE A 746 3.726 2.487 3.330 1.00 1.00 N ATOM 343 CA PHE A 746 3.870 3.536 2.328 1.00 1.00 C ATOM 344 C PHE A 746 3.745 4.903 3.041 1.00 1.00 C ATOM 345 O PHE A 746 2.986 5.043 4.010 1.00 1.00 O ATOM 346 CB PHE A 746 2.837 3.347 1.196 1.00 1.00 C ATOM 347 CG PHE A 746 3.188 2.331 0.118 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.293 2.561 -0.723 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.382 1.195 -0.108 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.597 1.676 -1.768 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.674 0.322 -1.170 1.00 1.00 C ATOM 352 CZ PHE A 746 3.777 0.565 -2.008 1.00 1.00 C ATOM 0 H PHE A 746 2.753 2.232 3.498 1.00 1.00 H new ATOM 0 HA PHE A 746 4.848 3.488 1.849 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.888 3.053 1.645 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.677 4.312 0.716 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.914 3.429 -0.562 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.539 0.996 0.537 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.464 1.851 -2.388 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.048 -0.541 -1.344 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.991 -0.100 -2.831 1.00 1.00 H new ATOM 362 N PRO A 747 4.483 5.926 2.574 1.00 1.00 N ATOM 363 CA PRO A 747 4.560 7.234 3.220 1.00 1.00 C ATOM 364 C PRO A 747 3.334 8.144 3.039 1.00 1.00 C ATOM 365 O PRO A 747 2.516 7.927 2.147 1.00 1.00 O ATOM 366 CB PRO A 747 5.799 7.883 2.590 1.00 1.00 C ATOM 367 CG PRO A 747 5.823 7.319 1.178 1.00 1.00 C ATOM 368 CD PRO A 747 5.317 5.896 1.378 1.00 1.00 C ATOM 0 HA PRO A 747 4.607 7.101 4.301 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.723 8.970 2.586 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.706 7.629 3.138 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.181 7.886 0.504 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.826 7.336 0.752 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.745 5.561 0.513 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.148 5.201 1.500 1.00 1.00 H new ATOM 376 N PRO A 748 3.250 9.239 3.823 1.00 1.00 N ATOM 377 CA PRO A 748 2.220 10.268 3.718 1.00 1.00 C ATOM 378 C PRO A 748 2.206 10.981 2.368 1.00 1.00 C ATOM 379 O PRO A 748 1.192 11.590 2.050 1.00 1.00 O ATOM 380 CB PRO A 748 2.450 11.252 4.864 1.00 1.00 C ATOM 381 CG PRO A 748 3.910 11.056 5.236 1.00 1.00 C ATOM 382 CD PRO A 748 4.138 9.579 4.929 1.00 1.00 C ATOM 0 HA PRO A 748 1.239 9.798 3.790 1.00 1.00 H new ATOM 0 HB2 PRO A 748 2.252 12.278 4.554 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.792 11.042 5.707 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.567 11.698 4.649 1.00 1.00 H new ATOM 0 HG3 PRO A 748 4.095 11.285 6.286 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.178 9.396 4.660 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.921 8.964 5.803 1.00 1.00 H new ATOM 390 N SER A 749 3.314 10.990 1.623 1.00 1.00 N ATOM 391 CA SER A 749 3.558 11.680 0.354 1.00 1.00 C ATOM 392 C SER A 749 2.458 11.532 -0.721 1.00 1.00 C ATOM 393 O SER A 749 2.512 12.204 -1.755 1.00 1.00 O ATOM 394 CB SER A 749 4.861 11.105 -0.218 1.00 1.00 C ATOM 395 OG SER A 749 5.858 10.859 0.765 1.00 1.00 O ATOM 0 H SER A 749 4.138 10.467 1.920 1.00 1.00 H new ATOM 0 HA SER A 749 3.591 12.745 0.583 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.639 10.173 -0.738 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.258 11.798 -0.960 1.00 1.00 H new ATOM 0 HG SER A 749 6.659 10.493 0.334 1.00 1.00 H new ATOM 401 N LEU A 750 1.508 10.621 -0.518 1.00 1.00 N ATOM 402 CA LEU A 750 0.358 10.314 -1.348 1.00 1.00 C ATOM 403 C LEU A 750 -0.691 11.397 -1.132 1.00 1.00 C ATOM 404 O LEU A 750 -1.208 11.550 -0.026 1.00 1.00 O ATOM 405 CB LEU A 750 -0.198 8.948 -0.917 1.00 1.00 C ATOM 406 CG LEU A 750 0.549 7.704 -1.442 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.017 7.910 -1.772 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.399 6.547 -0.463 1.00 1.00 C ATOM 0 H LEU A 750 1.532 10.027 0.311 1.00 1.00 H new ATOM 0 HA LEU A 750 0.632 10.278 -2.402 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.202 8.909 0.172 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.237 8.885 -1.242 1.00 1.00 H new ATOM 0 HG LEU A 750 0.071 7.477 -2.395 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.444 6.974 -2.132 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.113 8.673 -2.545 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.550 8.231 -0.877 1.00 1.00 H new ATOM 0 HD21 LEU A 750 0.931 5.676 -0.845 1.00 1.00 H new ATOM 0 HD22 LEU A 750 0.816 6.831 0.503 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -0.657 6.305 -0.345 1.00 1.00 H new ATOM 420 N ASN A 751 -1.018 12.150 -2.177 1.00 1.00 N ATOM 421 CA ASN A 751 -1.965 13.259 -2.053 1.00 1.00 C ATOM 422 C ASN A 751 -3.384 12.704 -2.040 1.00 1.00 C ATOM 423 O ASN A 751 -4.105 12.809 -1.047 1.00 1.00 O ATOM 424 CB ASN A 751 -1.782 14.317 -3.144 1.00 1.00 C ATOM 425 CG ASN A 751 -0.382 14.894 -3.222 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.171 15.038 -4.304 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.235 15.251 -2.108 1.00 1.00 N ATOM 0 H ASN A 751 -0.645 12.016 -3.117 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.769 13.773 -1.112 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -2.035 13.876 -4.108 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.488 15.129 -2.969 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.174 15.647 -2.150 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.228 15.130 -1.207 1.00 1.00 H new ATOM 434 N SER A 752 -3.834 12.141 -3.161 1.00 1.00 N ATOM 435 CA SER A 752 -5.124 11.473 -3.277 1.00 1.00 C ATOM 436 C SER A 752 -5.016 10.309 -4.260 1.00 1.00 C ATOM 437 O SER A 752 -5.377 9.185 -3.904 1.00 1.00 O ATOM 438 CB SER A 752 -6.226 12.474 -3.653 1.00 1.00 C ATOM 439 OG SER A 752 -6.245 13.563 -2.739 1.00 1.00 O ATOM 0 H SER A 752 -3.299 12.138 -4.030 1.00 1.00 H new ATOM 0 HA SER A 752 -5.409 11.057 -2.311 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.059 12.844 -4.665 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.195 11.974 -3.652 1.00 1.00 H new ATOM 0 HG SER A 752 -6.952 14.192 -2.994 1.00 1.00 H new ATOM 445 N HIS A 753 -4.520 10.548 -5.481 1.00 1.00 N ATOM 446 CA HIS A 753 -4.433 9.514 -6.504 1.00 1.00 C ATOM 447 C HIS A 753 -3.566 8.342 -6.057 1.00 1.00 C ATOM 448 O HIS A 753 -3.988 7.193 -6.194 1.00 1.00 O ATOM 449 CB HIS A 753 -3.843 10.060 -7.814 1.00 1.00 C ATOM 450 CG HIS A 753 -4.798 10.804 -8.706 1.00 1.00 C ATOM 451 ND1 HIS A 753 -5.942 10.276 -9.260 1.00 1.00 N ATOM 452 CD2 HIS A 753 -4.584 12.029 -9.275 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.427 11.175 -10.132 1.00 1.00 C ATOM 454 NE2 HIS A 753 -5.627 12.258 -10.183 1.00 1.00 N ATOM 0 H HIS A 753 -4.172 11.459 -5.780 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.456 9.175 -6.668 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.015 10.724 -7.567 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -3.426 9.225 -8.377 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -3.762 12.697 -9.064 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.330 11.048 -10.710 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -5.755 13.083 -10.768 1.00 1.00 H new ATOM 462 N ASP A 754 -2.379 8.621 -5.515 1.00 1.00 N ATOM 463 CA ASP A 754 -1.387 7.638 -5.142 1.00 1.00 C ATOM 464 C ASP A 754 -1.948 6.773 -4.016 1.00 1.00 C ATOM 465 O ASP A 754 -1.892 5.549 -4.091 1.00 1.00 O ATOM 466 CB ASP A 754 -0.102 8.411 -4.806 1.00 1.00 C ATOM 467 CG ASP A 754 0.445 9.131 -6.038 1.00 1.00 C ATOM 468 OD1 ASP A 754 0.713 8.466 -7.058 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.476 10.382 -6.045 1.00 1.00 O ATOM 0 H ASP A 754 -2.081 9.577 -5.321 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.139 6.935 -5.938 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.306 9.136 -4.018 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.650 7.723 -4.420 1.00 1.00 H new ATOM 474 N ARG A 755 -2.578 7.397 -3.012 1.00 1.00 N ATOM 475 CA ARG A 755 -3.264 6.701 -1.921 1.00 1.00 C ATOM 476 C ARG A 755 -4.297 5.744 -2.491 1.00 1.00 C ATOM 477 O ARG A 755 -4.291 4.559 -2.162 1.00 1.00 O ATOM 478 CB ARG A 755 -3.919 7.722 -0.970 1.00 1.00 C ATOM 479 CG ARG A 755 -4.884 7.056 0.023 1.00 1.00 C ATOM 480 CD ARG A 755 -5.450 8.092 0.992 1.00 1.00 C ATOM 481 NE ARG A 755 -6.588 7.570 1.771 1.00 1.00 N ATOM 482 CZ ARG A 755 -7.618 8.316 2.200 1.00 1.00 C ATOM 483 NH1 ARG A 755 -7.653 9.623 1.950 1.00 1.00 N ATOM 484 NH2 ARG A 755 -8.617 7.755 2.872 1.00 1.00 N ATOM 0 H ARG A 755 -2.625 8.413 -2.936 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.539 6.123 -1.348 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -3.142 8.252 -0.419 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.459 8.466 -1.555 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.697 6.573 -0.519 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -4.363 6.276 0.578 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.664 8.415 1.674 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -5.769 8.972 0.433 1.00 1.00 H new ATOM 0 HE ARG A 755 -6.593 6.576 1.999 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -6.894 10.063 1.430 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -8.439 10.184 2.279 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -8.603 6.753 3.064 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -9.398 8.326 3.196 1.00 1.00 H new ATOM 498 N LEU A 756 -5.213 6.275 -3.301 1.00 1.00 N ATOM 499 CA LEU A 756 -6.316 5.501 -3.840 1.00 1.00 C ATOM 500 C LEU A 756 -5.785 4.327 -4.657 1.00 1.00 C ATOM 501 O LEU A 756 -6.270 3.214 -4.505 1.00 1.00 O ATOM 502 CB LEU A 756 -7.254 6.420 -4.601 1.00 1.00 C ATOM 503 CG LEU A 756 -8.346 5.705 -5.421 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.643 6.513 -5.378 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.951 5.562 -6.894 1.00 1.00 C ATOM 0 H LEU A 756 -5.206 7.251 -3.597 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.906 5.056 -3.039 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.736 7.091 -3.890 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.663 7.040 -5.275 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.476 4.717 -4.980 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.410 6.001 -5.960 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.976 6.611 -4.345 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.469 7.503 -5.799 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.748 5.053 -7.437 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.792 6.550 -7.326 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.032 4.981 -6.969 1.00 1.00 H new ATOM 517 N ARG A 757 -4.766 4.546 -5.488 1.00 1.00 N ATOM 518 CA ARG A 757 -4.142 3.484 -6.268 1.00 1.00 C ATOM 519 C ARG A 757 -3.545 2.419 -5.351 1.00 1.00 C ATOM 520 O ARG A 757 -3.803 1.244 -5.588 1.00 1.00 O ATOM 521 CB ARG A 757 -3.103 4.076 -7.223 1.00 1.00 C ATOM 522 CG ARG A 757 -2.661 3.096 -8.320 1.00 1.00 C ATOM 523 CD ARG A 757 -3.687 2.996 -9.458 1.00 1.00 C ATOM 524 NE ARG A 757 -3.510 1.763 -10.248 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.289 0.674 -10.179 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.367 0.637 -9.399 1.00 1.00 N ATOM 527 NH2 ARG A 757 -3.974 -0.396 -10.892 1.00 1.00 N ATOM 0 H ARG A 757 -4.352 5.466 -5.637 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.902 2.990 -6.873 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.516 4.971 -7.689 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.230 4.389 -6.651 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.701 3.417 -8.726 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.509 2.109 -7.883 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.694 3.020 -9.042 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.591 3.863 -10.111 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.728 1.737 -10.903 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.617 1.450 -8.836 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.943 -0.204 -9.365 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -3.145 -0.387 -11.487 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.560 -1.230 -10.847 1.00 1.00 H new ATOM 541 N VAL A 758 -2.775 2.790 -4.325 1.00 1.00 N ATOM 542 CA VAL A 758 -2.198 1.820 -3.395 1.00 1.00 C ATOM 543 C VAL A 758 -3.319 0.985 -2.766 1.00 1.00 C ATOM 544 O VAL A 758 -3.232 -0.246 -2.779 1.00 1.00 O ATOM 545 CB VAL A 758 -1.303 2.552 -2.368 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.871 1.671 -1.186 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.014 3.054 -3.046 1.00 1.00 C ATOM 0 H VAL A 758 -2.537 3.760 -4.118 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.548 1.117 -3.916 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.915 3.370 -1.988 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.246 2.252 -0.508 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.754 1.319 -0.653 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.306 0.816 -1.557 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.607 3.567 -2.312 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.535 2.207 -3.456 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.271 3.744 -3.850 1.00 1.00 H new ATOM 557 N HIS A 759 -4.379 1.636 -2.266 1.00 1.00 N ATOM 558 CA HIS A 759 -5.548 0.946 -1.736 1.00 1.00 C ATOM 559 C HIS A 759 -6.114 -0.013 -2.778 1.00 1.00 C ATOM 560 O HIS A 759 -6.284 -1.180 -2.470 1.00 1.00 O ATOM 561 CB HIS A 759 -6.630 1.932 -1.272 1.00 1.00 C ATOM 562 CG HIS A 759 -6.352 2.590 0.055 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.190 1.949 1.262 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.340 3.934 0.298 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.051 2.883 2.218 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.150 4.116 1.680 1.00 1.00 N ATOM 0 H HIS A 759 -4.443 2.653 -2.221 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.228 0.376 -0.864 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.746 2.707 -2.030 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.581 1.404 -1.208 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.456 4.716 -0.438 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.884 2.677 3.265 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.097 5.005 2.177 1.00 1.00 H new ATOM 574 N GLN A 760 -6.391 0.442 -4.000 1.00 1.00 N ATOM 575 CA GLN A 760 -7.014 -0.350 -5.047 1.00 1.00 C ATOM 576 C GLN A 760 -6.254 -1.634 -5.354 1.00 1.00 C ATOM 577 O GLN A 760 -6.865 -2.697 -5.351 1.00 1.00 O ATOM 578 CB GLN A 760 -7.118 0.493 -6.326 1.00 1.00 C ATOM 579 CG GLN A 760 -8.306 1.452 -6.366 1.00 1.00 C ATOM 580 CD GLN A 760 -8.371 2.192 -7.703 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.353 2.458 -8.354 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.569 2.515 -8.162 1.00 1.00 N ATOM 0 H GLN A 760 -6.181 1.397 -4.291 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.001 -0.638 -4.686 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.200 1.069 -6.440 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.182 -0.178 -7.183 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.231 0.897 -6.209 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.224 2.172 -5.552 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.401 2.291 -7.617 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.660 2.988 -9.061 1.00 1.00 H new ATOM 591 N ILE A 761 -4.959 -1.563 -5.655 1.00 1.00 N ATOM 592 CA ILE A 761 -4.096 -2.713 -5.880 1.00 1.00 C ATOM 593 C ILE A 761 -4.183 -3.652 -4.671 1.00 1.00 C ATOM 594 O ILE A 761 -4.414 -4.854 -4.817 1.00 1.00 O ATOM 595 CB ILE A 761 -2.675 -2.170 -6.136 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.697 -1.187 -7.330 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.674 -3.315 -6.385 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.378 -0.441 -7.539 1.00 1.00 C ATOM 0 H ILE A 761 -4.469 -0.674 -5.751 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.398 -3.303 -6.745 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.343 -1.637 -5.245 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.940 -1.738 -8.238 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.494 -0.460 -7.176 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.682 -2.899 -6.562 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.643 -3.968 -5.513 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.988 -3.889 -7.257 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.471 0.229 -8.394 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.143 0.139 -6.647 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.580 -1.159 -7.726 1.00 1.00 H new ATOM 610 N ALA A 762 -4.039 -3.110 -3.461 1.00 1.00 N ATOM 611 CA ALA A 762 -4.141 -3.907 -2.254 1.00 1.00 C ATOM 612 C ALA A 762 -5.490 -4.631 -2.147 1.00 1.00 C ATOM 613 O ALA A 762 -5.545 -5.802 -1.764 1.00 1.00 O ATOM 614 CB ALA A 762 -3.836 -2.992 -1.060 1.00 1.00 C ATOM 0 H ALA A 762 -3.851 -2.121 -3.298 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.410 -4.715 -2.272 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.905 -3.565 -0.135 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.830 -2.586 -1.161 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.556 -2.174 -1.035 1.00 1.00 H new ATOM 620 N GLU A 763 -6.563 -3.935 -2.496 1.00 1.00 N ATOM 621 CA GLU A 763 -7.937 -4.387 -2.425 1.00 1.00 C ATOM 622 C GLU A 763 -8.292 -5.366 -3.550 1.00 1.00 C ATOM 623 O GLU A 763 -9.242 -6.141 -3.428 1.00 1.00 O ATOM 624 CB GLU A 763 -8.814 -3.121 -2.572 1.00 1.00 C ATOM 625 CG GLU A 763 -10.276 -3.264 -2.130 1.00 1.00 C ATOM 626 CD GLU A 763 -11.269 -3.304 -3.296 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.114 -2.584 -4.307 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.279 -4.039 -3.194 1.00 1.00 O ATOM 0 H GLU A 763 -6.488 -2.984 -2.857 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.098 -4.914 -1.484 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.357 -2.317 -1.995 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.799 -2.812 -3.617 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.382 -4.176 -1.543 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.532 -2.431 -1.475 1.00 1.00 H new ATOM 635 N GLU A 764 -7.580 -5.310 -4.672 1.00 1.00 N ATOM 636 CA GLU A 764 -7.691 -6.198 -5.800 1.00 1.00 C ATOM 637 C GLU A 764 -7.065 -7.534 -5.424 1.00 1.00 C ATOM 638 O GLU A 764 -7.647 -8.583 -5.701 1.00 1.00 O ATOM 639 CB GLU A 764 -6.971 -5.506 -6.960 1.00 1.00 C ATOM 640 CG GLU A 764 -6.807 -6.401 -8.174 1.00 1.00 C ATOM 641 CD GLU A 764 -6.261 -5.598 -9.352 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.898 -4.586 -9.731 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.183 -5.921 -9.905 1.00 1.00 O ATOM 0 H GLU A 764 -6.868 -4.594 -4.816 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.721 -6.404 -6.093 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.528 -4.614 -7.246 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.988 -5.174 -6.624 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -6.130 -7.223 -7.940 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.767 -6.844 -8.440 1.00 1.00 H new ATOM 650 N HIS A 765 -5.906 -7.494 -4.763 1.00 1.00 N ATOM 651 CA HIS A 765 -5.227 -8.648 -4.247 1.00 1.00 C ATOM 652 C HIS A 765 -5.839 -8.999 -2.894 1.00 1.00 C ATOM 653 O HIS A 765 -6.998 -8.708 -2.587 1.00 1.00 O ATOM 654 CB HIS A 765 -3.736 -8.330 -4.177 1.00 1.00 C ATOM 655 CG HIS A 765 -3.196 -7.916 -5.512 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.501 -8.447 -6.747 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.396 -6.836 -5.699 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.891 -7.674 -7.660 1.00 1.00 C ATOM 659 NE2 HIS A 765 -2.185 -6.694 -7.067 1.00 1.00 N ATOM 0 H HIS A 765 -5.412 -6.622 -4.575 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.342 -9.523 -4.887 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.567 -7.533 -3.453 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -3.193 -9.205 -3.820 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -4.078 -9.268 -6.931 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.995 -6.200 -4.924 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.958 -7.820 -8.728 1.00 1.00 H new ATOM 667 N GLY A 766 -5.041 -9.649 -2.073 1.00 1.00 N ATOM 668 CA GLY A 766 -5.327 -10.090 -0.742 1.00 1.00 C ATOM 669 C GLY A 766 -4.523 -9.287 0.255 1.00 1.00 C ATOM 670 O GLY A 766 -3.829 -9.884 1.090 1.00 1.00 O ATOM 0 H GLY A 766 -4.093 -9.900 -2.355 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.392 -9.980 -0.535 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.090 -11.149 -0.643 1.00 1.00 H new ATOM 674 N LEU A 767 -4.549 -7.949 0.142 1.00 1.00 N ATOM 675 CA LEU A 767 -3.784 -7.138 1.069 1.00 1.00 C ATOM 676 C LEU A 767 -4.737 -6.419 1.996 1.00 1.00 C ATOM 677 O LEU A 767 -5.728 -5.847 1.541 1.00 1.00 O ATOM 678 CB LEU A 767 -2.918 -6.098 0.356 1.00 1.00 C ATOM 679 CG LEU A 767 -1.989 -6.597 -0.751 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.015 -5.513 -1.205 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.138 -7.748 -0.269 1.00 1.00 C ATOM 0 H LEU A 767 -5.076 -7.431 -0.561 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.121 -7.805 1.620 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.580 -5.346 -0.073 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.308 -5.595 1.107 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.642 -6.899 -1.570 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.373 -5.908 -1.992 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.574 -4.659 -1.587 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.402 -5.198 -0.361 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.487 -8.083 -1.077 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.530 -7.423 0.575 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.782 -8.571 0.043 1.00 1.00 H new ATOM 693 N ARG A 768 -4.431 -6.421 3.287 1.00 1.00 N ATOM 694 CA ARG A 768 -5.191 -5.668 4.266 1.00 1.00 C ATOM 695 C ARG A 768 -4.571 -4.288 4.150 1.00 1.00 C ATOM 696 O ARG A 768 -3.391 -4.140 4.461 1.00 1.00 O ATOM 697 CB ARG A 768 -5.000 -6.282 5.665 1.00 1.00 C ATOM 698 CG ARG A 768 -5.870 -5.593 6.726 1.00 1.00 C ATOM 699 CD ARG A 768 -5.772 -6.316 8.080 1.00 1.00 C ATOM 700 NE ARG A 768 -6.884 -5.968 8.981 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.156 -6.385 8.883 1.00 1.00 C ATOM 702 NH1 ARG A 768 -8.517 -7.285 7.968 1.00 1.00 N ATOM 703 NH2 ARG A 768 -9.085 -5.912 9.703 1.00 1.00 N ATOM 0 H ARG A 768 -3.649 -6.945 3.681 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.269 -5.659 4.106 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.245 -7.343 5.630 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.951 -6.206 5.953 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.555 -4.556 6.841 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.908 -5.576 6.394 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.765 -7.393 7.914 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.826 -6.061 8.558 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.665 -5.346 9.759 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -7.822 -7.668 7.328 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -9.488 -7.590 7.908 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -8.835 -5.226 10.415 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -10.049 -6.234 9.621 1.00 1.00 H new ATOM 717 N HIS A 769 -5.299 -3.328 3.588 1.00 1.00 N ATOM 718 CA HIS A 769 -4.821 -1.963 3.439 1.00 1.00 C ATOM 719 C HIS A 769 -5.428 -1.154 4.564 1.00 1.00 C ATOM 720 O HIS A 769 -6.607 -1.321 4.895 1.00 1.00 O ATOM 721 CB HIS A 769 -5.216 -1.361 2.076 1.00 1.00 C ATOM 722 CG HIS A 769 -6.607 -1.672 1.589 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.749 -0.922 1.781 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.955 -2.790 0.878 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.761 -1.580 1.192 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.333 -2.741 0.673 1.00 1.00 N ATOM 0 H HIS A 769 -6.240 -3.478 3.223 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.732 -1.948 3.481 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.108 -0.278 2.136 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.505 -1.711 1.328 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.285 -3.566 0.539 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.779 -1.224 1.143 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -8.906 -3.451 0.216 1.00 1.00 H new ATOM 734 N ASP A 770 -4.640 -0.252 5.126 1.00 1.00 N ATOM 735 CA ASP A 770 -5.032 0.537 6.281 1.00 1.00 C ATOM 736 C ASP A 770 -4.188 1.805 6.379 1.00 1.00 C ATOM 737 O ASP A 770 -3.281 2.037 5.574 1.00 1.00 O ATOM 738 CB ASP A 770 -4.872 -0.321 7.546 1.00 1.00 C ATOM 739 CG ASP A 770 -5.859 0.038 8.655 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.434 1.153 8.644 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.112 -0.855 9.491 1.00 1.00 O ATOM 0 H ASP A 770 -3.700 -0.045 4.789 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.074 0.841 6.177 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.001 -1.371 7.282 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -3.856 -0.210 7.925 1.00 1.00 H new ATOM 746 N SER A 771 -4.507 2.642 7.355 1.00 1.00 N ATOM 747 CA SER A 771 -3.791 3.845 7.704 1.00 1.00 C ATOM 748 C SER A 771 -3.187 3.618 9.090 1.00 1.00 C ATOM 749 O SER A 771 -3.725 2.871 9.912 1.00 1.00 O ATOM 750 CB SER A 771 -4.741 5.048 7.686 1.00 1.00 C ATOM 751 OG SER A 771 -5.607 5.026 6.554 1.00 1.00 O ATOM 0 H SER A 771 -5.318 2.485 7.953 1.00 1.00 H new ATOM 0 HA SER A 771 -2.999 4.062 6.987 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.337 5.053 8.599 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.159 5.970 7.680 1.00 1.00 H new ATOM 0 HG SER A 771 -6.198 5.807 6.579 1.00 1.00 H new ATOM 757 N SER A 772 -2.088 4.305 9.354 1.00 1.00 N ATOM 758 CA SER A 772 -1.327 4.243 10.589 1.00 1.00 C ATOM 759 C SER A 772 -1.019 5.675 11.011 1.00 1.00 C ATOM 760 O SER A 772 -1.188 6.598 10.210 1.00 1.00 O ATOM 761 CB SER A 772 -0.045 3.449 10.342 1.00 1.00 C ATOM 762 OG SER A 772 -0.327 2.150 9.861 1.00 1.00 O ATOM 0 H SER A 772 -1.683 4.953 8.678 1.00 1.00 H new ATOM 0 HA SER A 772 -1.884 3.744 11.382 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.579 3.978 9.622 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.526 3.380 11.268 1.00 1.00 H new ATOM 0 HG SER A 772 0.169 1.491 10.390 1.00 1.00 H new ATOM 768 N GLY A 773 -0.579 5.865 12.250 1.00 1.00 N ATOM 769 CA GLY A 773 -0.284 7.145 12.867 1.00 1.00 C ATOM 770 C GLY A 773 -1.227 7.416 14.026 1.00 1.00 C ATOM 771 O GLY A 773 -2.289 6.799 14.131 1.00 1.00 O ATOM 0 H GLY A 773 -0.410 5.083 12.883 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.747 7.154 13.221 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.373 7.940 12.126 1.00 1.00 H new ATOM 775 N GLU A 774 -0.859 8.368 14.880 1.00 1.00 N ATOM 776 CA GLU A 774 -1.628 8.739 16.061 1.00 1.00 C ATOM 777 C GLU A 774 -2.126 10.169 15.876 1.00 1.00 C ATOM 778 O GLU A 774 -3.328 10.392 15.720 1.00 1.00 O ATOM 779 CB GLU A 774 -0.740 8.564 17.303 1.00 1.00 C ATOM 780 CG GLU A 774 -1.430 8.915 18.630 1.00 1.00 C ATOM 781 CD GLU A 774 -1.682 7.667 19.469 1.00 1.00 C ATOM 782 OE1 GLU A 774 -0.777 7.278 20.242 1.00 1.00 O ATOM 783 OE2 GLU A 774 -2.770 7.059 19.334 1.00 1.00 O ATOM 0 H GLU A 774 -0.003 8.911 14.767 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.501 8.101 16.199 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.398 7.530 17.348 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.146 9.188 17.192 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -0.810 9.614 19.191 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -2.376 9.418 18.429 1.00 1.00 H new ATOM 790 N GLY A 775 -1.206 11.136 15.839 1.00 1.00 N ATOM 791 CA GLY A 775 -1.540 12.548 15.778 1.00 1.00 C ATOM 792 C GLY A 775 -0.873 13.266 14.624 1.00 1.00 C ATOM 793 O GLY A 775 -1.568 13.873 13.812 1.00 1.00 O ATOM 0 H GLY A 775 -0.203 10.952 15.851 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -2.621 12.656 15.690 1.00 1.00 H new ATOM 0 HA3 GLY A 775 -1.247 13.025 16.713 1.00 1.00 H new ATOM 797 N LYS A 776 0.457 13.206 14.514 1.00 1.00 N ATOM 798 CA LYS A 776 1.199 13.970 13.501 1.00 1.00 C ATOM 799 C LYS A 776 2.164 13.105 12.694 1.00 1.00 C ATOM 800 O LYS A 776 3.181 13.598 12.206 1.00 1.00 O ATOM 801 CB LYS A 776 1.838 15.214 14.164 1.00 1.00 C ATOM 802 CG LYS A 776 0.772 16.069 14.883 1.00 1.00 C ATOM 803 CD LYS A 776 1.299 17.366 15.498 1.00 1.00 C ATOM 804 CE LYS A 776 0.143 18.015 16.271 1.00 1.00 C ATOM 805 NZ LYS A 776 0.543 19.249 16.968 1.00 1.00 N ATOM 0 H LYS A 776 1.047 12.633 15.117 1.00 1.00 H new ATOM 0 HA LYS A 776 0.504 14.333 12.744 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.599 14.899 14.878 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.341 15.815 13.407 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.017 16.315 14.172 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.316 15.469 15.670 1.00 1.00 H new ATOM 0 HD2 LYS A 776 2.138 17.161 16.163 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.665 18.037 14.721 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.669 18.241 15.579 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.247 17.303 16.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -0.276 19.644 17.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 1.299 19.033 17.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 0.890 19.942 16.275 1.00 1.00 H new ATOM 818 N ARG A 777 1.881 11.807 12.579 1.00 1.00 N ATOM 819 CA ARG A 777 2.606 10.832 11.768 1.00 1.00 C ATOM 820 C ARG A 777 1.622 9.922 11.048 1.00 1.00 C ATOM 821 O ARG A 777 1.693 8.708 11.216 1.00 1.00 O ATOM 822 CB ARG A 777 3.584 10.033 12.629 1.00 1.00 C ATOM 823 CG ARG A 777 4.718 10.918 13.126 1.00 1.00 C ATOM 824 CD ARG A 777 5.899 10.081 13.614 1.00 1.00 C ATOM 825 NE ARG A 777 7.116 10.893 13.614 1.00 1.00 N ATOM 826 CZ ARG A 777 8.113 10.864 12.724 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.134 9.998 11.715 1.00 1.00 N ATOM 828 NH2 ARG A 777 9.091 11.743 12.861 1.00 1.00 N ATOM 0 H ARG A 777 1.097 11.386 13.077 1.00 1.00 H new ATOM 0 HA ARG A 777 3.192 11.360 11.016 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.056 9.600 13.479 1.00 1.00 H new ATOM 0 HB3 ARG A 777 3.991 9.204 12.050 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.045 11.580 12.324 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.359 11.553 13.936 1.00 1.00 H new ATOM 0 HD2 ARG A 777 5.701 9.707 14.618 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.031 9.212 12.970 1.00 1.00 H new ATOM 0 HE ARG A 777 7.215 11.558 14.381 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.373 9.328 11.602 1.00 1.00 H new ATOM 0 HH12 ARG A 777 8.911 10.004 11.054 1.00 1.00 H new ATOM 0 HH21 ARG A 777 9.069 12.415 13.628 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.868 11.749 12.200 1.00 1.00 H new ATOM 842 N ARG A 778 0.643 10.469 10.319 1.00 1.00 N ATOM 843 CA ARG A 778 -0.280 9.592 9.593 1.00 1.00 C ATOM 844 C ARG A 778 0.442 9.049 8.355 1.00 1.00 C ATOM 845 O ARG A 778 1.220 9.796 7.753 1.00 1.00 O ATOM 846 CB ARG A 778 -1.615 10.291 9.279 1.00 1.00 C ATOM 847 CG ARG A 778 -2.707 9.237 9.025 1.00 1.00 C ATOM 848 CD ARG A 778 -4.099 9.843 8.842 1.00 1.00 C ATOM 849 NE ARG A 778 -4.322 10.321 7.473 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.474 10.809 7.006 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.525 10.959 7.806 1.00 1.00 N ATOM 852 NH2 ARG A 778 -5.583 11.134 5.726 1.00 1.00 N ATOM 0 H ARG A 778 0.473 11.470 10.217 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.563 8.746 10.219 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.904 10.934 10.110 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.504 10.931 8.404 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.448 8.662 8.136 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.729 8.538 9.861 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.853 9.097 9.091 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.227 10.671 9.539 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.534 10.277 6.826 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.458 10.700 8.790 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.399 11.333 7.436 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -4.788 11.011 5.099 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -6.462 11.507 5.368 1.00 1.00 H new ATOM 866 N PHE A 779 0.235 7.783 7.987 1.00 1.00 N ATOM 867 CA PHE A 779 0.763 7.139 6.778 1.00 1.00 C ATOM 868 C PHE A 779 -0.131 5.941 6.394 1.00 1.00 C ATOM 869 O PHE A 779 -1.197 5.762 6.992 1.00 1.00 O ATOM 870 CB PHE A 779 2.249 6.782 6.967 1.00 1.00 C ATOM 871 CG PHE A 779 2.556 5.720 8.001 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.755 6.078 9.346 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.681 4.375 7.616 1.00 1.00 C ATOM 874 CE1 PHE A 779 3.054 5.095 10.303 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.961 3.391 8.575 1.00 1.00 C ATOM 876 CZ PHE A 779 3.162 3.748 9.917 1.00 1.00 C ATOM 0 H PHE A 779 -0.332 7.147 8.549 1.00 1.00 H new ATOM 0 HA PHE A 779 0.731 7.828 5.934 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.646 6.451 6.008 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.787 7.690 7.238 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.678 7.113 9.644 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.561 4.098 6.579 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.201 5.374 11.336 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.022 2.354 8.279 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.399 2.991 10.650 1.00 1.00 H new ATOM 886 N ILE A 780 0.243 5.151 5.381 1.00 1.00 N ATOM 887 CA ILE A 780 -0.458 3.949 4.892 1.00 1.00 C ATOM 888 C ILE A 780 0.318 2.666 5.139 1.00 1.00 C ATOM 889 O ILE A 780 1.530 2.617 4.979 1.00 1.00 O ATOM 890 CB ILE A 780 -0.965 4.129 3.436 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.456 2.850 2.691 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.083 5.002 2.540 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.673 3.110 1.799 1.00 1.00 C ATOM 0 H ILE A 780 1.091 5.341 4.847 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.357 3.831 5.497 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.876 4.696 3.630 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.643 2.456 2.082 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.706 2.083 3.423 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.524 5.065 1.545 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.008 6.002 2.967 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.912 4.562 2.469 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -2.968 2.183 1.307 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.499 3.477 2.408 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.419 3.856 1.046 1.00 1.00 H new ATOM 905 N THR A 781 -0.399 1.611 5.505 1.00 1.00 N ATOM 906 CA THR A 781 0.136 0.282 5.679 1.00 1.00 C ATOM 907 C THR A 781 -0.674 -0.660 4.812 1.00 1.00 C ATOM 908 O THR A 781 -1.883 -0.505 4.643 1.00 1.00 O ATOM 909 CB THR A 781 0.054 -0.116 7.158 1.00 1.00 C ATOM 910 OG1 THR A 781 0.942 0.710 7.876 1.00 1.00 O ATOM 911 CG2 THR A 781 0.421 -1.584 7.411 1.00 1.00 C ATOM 0 H THR A 781 -1.400 1.667 5.693 1.00 1.00 H new ATOM 0 HA THR A 781 1.184 0.239 5.382 1.00 1.00 H new ATOM 0 HB THR A 781 -0.979 0.009 7.483 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.450 1.188 8.576 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.343 -1.800 8.476 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.261 -2.230 6.859 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.443 -1.766 7.078 1.00 1.00 H new ATOM 919 N VAL A 782 0.011 -1.642 4.255 1.00 1.00 N ATOM 920 CA VAL A 782 -0.566 -2.718 3.490 1.00 1.00 C ATOM 921 C VAL A 782 0.150 -3.984 3.926 1.00 1.00 C ATOM 922 O VAL A 782 1.379 -4.008 4.010 1.00 1.00 O ATOM 923 CB VAL A 782 -0.524 -2.485 1.975 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.666 -1.599 1.500 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.729 -1.742 1.512 1.00 1.00 C ATOM 0 H VAL A 782 1.026 -1.709 4.330 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.634 -2.795 3.692 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.570 -3.494 1.565 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.595 -1.462 0.421 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.618 -2.070 1.744 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.604 -0.629 1.994 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.695 -1.610 0.431 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.773 -0.766 1.995 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.614 -2.319 1.780 1.00 1.00 H new ATOM 935 N SER A 783 -0.623 -5.025 4.193 1.00 1.00 N ATOM 936 CA SER A 783 -0.125 -6.287 4.718 1.00 1.00 C ATOM 937 C SER A 783 -0.637 -7.422 3.847 1.00 1.00 C ATOM 938 O SER A 783 -1.794 -7.422 3.441 1.00 1.00 O ATOM 939 CB SER A 783 -0.532 -6.485 6.177 1.00 1.00 C ATOM 940 OG SER A 783 -0.330 -5.319 6.966 1.00 1.00 O ATOM 0 H SER A 783 -1.633 -5.016 4.048 1.00 1.00 H new ATOM 0 HA SER A 783 0.965 -6.277 4.694 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.583 -6.771 6.221 1.00 1.00 H new ATOM 0 HB3 SER A 783 0.041 -7.310 6.601 1.00 1.00 H new ATOM 0 HG SER A 783 -0.607 -5.497 7.889 1.00 1.00 H new ATOM 946 N LYS A 784 0.227 -8.380 3.549 1.00 1.00 N ATOM 947 CA LYS A 784 -0.028 -9.536 2.698 1.00 1.00 C ATOM 948 C LYS A 784 -0.680 -10.638 3.492 1.00 1.00 C ATOM 949 O LYS A 784 -0.151 -11.007 4.545 1.00 1.00 O ATOM 950 CB LYS A 784 1.286 -10.088 2.119 1.00 1.00 C ATOM 951 CG LYS A 784 1.811 -9.344 0.884 1.00 1.00 C ATOM 952 CD LYS A 784 1.505 -9.991 -0.480 1.00 1.00 C ATOM 953 CE LYS A 784 0.153 -10.705 -0.638 1.00 1.00 C ATOM 954 NZ LYS A 784 0.207 -12.131 -0.272 1.00 1.00 N ATOM 0 H LYS A 784 1.179 -8.373 3.914 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.683 -9.209 1.891 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.050 -10.057 2.896 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.139 -11.136 1.858 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.393 -8.337 0.887 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.892 -9.241 0.980 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.567 -9.214 -1.242 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.294 -10.712 -0.695 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.590 -10.205 -0.017 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.181 -10.614 -1.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.058 -12.711 -1.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.172 -12.376 0.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.455 -12.314 0.509 1.00 1.00 H new ATOM 967 N ARG A 785 -1.841 -11.130 3.045 1.00 1.00 N ATOM 968 CA ARG A 785 -2.395 -12.280 3.741 1.00 1.00 C ATOM 969 C ARG A 785 -1.566 -13.434 3.164 1.00 1.00 C ATOM 970 O ARG A 785 -1.725 -13.737 1.980 1.00 1.00 O ATOM 971 CB ARG A 785 -3.890 -12.414 3.399 1.00 1.00 C ATOM 972 CG ARG A 785 -4.740 -11.250 3.930 1.00 1.00 C ATOM 973 CD ARG A 785 -6.160 -11.378 3.371 1.00 1.00 C ATOM 974 NE ARG A 785 -6.989 -10.201 3.682 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.920 -9.670 2.879 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.197 -10.189 1.686 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.589 -8.592 3.265 1.00 1.00 N ATOM 0 H ARG A 785 -2.381 -10.774 2.256 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.345 -12.231 4.829 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.004 -12.474 2.317 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.268 -13.349 3.812 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.761 -11.265 5.020 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.302 -10.297 3.633 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.112 -11.511 2.290 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.631 -12.271 3.782 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.841 -9.752 4.586 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -7.695 -11.015 1.360 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -8.912 -9.761 1.097 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.394 -8.169 4.172 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.298 -8.186 2.655 1.00 1.00 H new ATOM 991 N ALA A 786 -0.721 -14.089 3.963 1.00 1.00 N ATOM 992 CA ALA A 786 0.056 -15.246 3.535 1.00 1.00 C ATOM 993 C ALA A 786 -0.905 -16.340 3.110 1.00 1.00 C ATOM 994 O ALA A 786 -0.734 -16.903 2.009 1.00 1.00 O ATOM 995 CB ALA A 786 0.962 -15.736 4.672 1.00 1.00 C ATOM 0 H ALA A 786 -0.558 -13.825 4.935 1.00 1.00 H new ATOM 0 HA ALA A 786 0.696 -14.971 2.696 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.534 -16.600 4.334 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.646 -14.938 4.962 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.350 -16.018 5.529 1.00 1.00 H new TER 1001 ALA A 786