USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 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 757 CYS SG : rot -110:sc= -5.2! USER MOD Set 1.2: A 760 CYS SG : rot -109:sc= -1.74 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.48 K(o=-14,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.45! C(o=-14!,f=-13!) USER MOD Set 2.1: A 730 CYS SG : rot -125:sc= -4.23! USER MOD Set 2.2: A 733 CYS SG : rot 30:sc= -1.45 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.76 K(o=-13,f=-19!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -2.9 K(o=-13,f=-19!) USER MOD Set 3.1: A 727 HIS : no HD1:sc= -3.18! X(o=-3.6!,f=-3.3) USER MOD Set 3.2: A 736 MET CE :methyl -114:sc= -0.407 (180deg=-2.86!) USER MOD Single : A 728 LYS NZ :NH3+ -175:sc= -0.984 (180deg=-1.05) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.055) USER MOD Single : A 741 TYR OH : rot 180:sc= 0 USER MOD Single : A 743 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.047) USER MOD Single : A 744 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -115:sc= -2.61 (180deg=-7.26!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -2.39 K(o=-2.4,f=-5!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 771 GLN : amide:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 778 GLN : amide:sc= -0.895 X(o=-0.89,f=-0.94) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.657 3.466 -0.603 1.00 0.00 N ATOM 74 CA HIS A 727 19.554 2.866 0.138 1.00 0.00 C ATOM 75 C HIS A 727 18.218 3.163 -0.535 1.00 0.00 C ATOM 76 O HIS A 727 18.008 4.252 -1.067 1.00 0.00 O ATOM 77 CB HIS A 727 19.537 3.386 1.578 1.00 0.00 C ATOM 78 CG HIS A 727 20.436 2.620 2.500 1.00 0.00 C ATOM 79 ND1 HIS A 727 20.919 3.139 3.682 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.939 1.366 2.408 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.680 2.238 4.278 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.708 1.154 3.526 1.00 0.00 N ATOM 0 HA HIS A 727 19.703 1.786 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 727 19.835 4.435 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.517 3.343 1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.767 0.664 1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.192 2.367 5.220 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.218 0.297 3.740 1.00 0.00 H new ATOM 91 N LYS A 728 17.319 2.184 -0.509 1.00 0.00 N ATOM 92 CA LYS A 728 16.003 2.340 -1.116 1.00 0.00 C ATOM 93 C LYS A 728 15.027 2.985 -0.138 1.00 0.00 C ATOM 94 O LYS A 728 14.810 2.480 0.963 1.00 0.00 O ATOM 95 CB LYS A 728 15.463 0.982 -1.570 1.00 0.00 C ATOM 96 CG LYS A 728 15.966 0.557 -2.941 1.00 0.00 C ATOM 97 CD LYS A 728 15.753 -0.930 -3.175 1.00 0.00 C ATOM 98 CE LYS A 728 15.397 -1.219 -4.624 1.00 0.00 C ATOM 99 NZ LYS A 728 16.042 -2.467 -5.117 1.00 0.00 N ATOM 0 H LYS A 728 17.478 1.275 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 728 16.106 2.991 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.744 0.225 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.374 1.020 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.447 1.126 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.027 0.792 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.657 -1.475 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.957 -1.292 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.315 -1.307 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.706 -0.380 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.843 -2.583 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 17.070 -2.408 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.664 -3.283 -4.594 1.00 0.00 H new ATOM 113 N LYS A 729 14.444 4.108 -0.546 1.00 0.00 N ATOM 114 CA LYS A 729 13.492 4.824 0.294 1.00 0.00 C ATOM 115 C LYS A 729 12.081 4.734 -0.276 1.00 0.00 C ATOM 116 O LYS A 729 11.826 5.164 -1.401 1.00 0.00 O ATOM 117 CB LYS A 729 13.906 6.291 0.429 1.00 0.00 C ATOM 118 CG LYS A 729 13.119 7.051 1.484 1.00 0.00 C ATOM 119 CD LYS A 729 13.825 8.335 1.890 1.00 0.00 C ATOM 120 CE LYS A 729 13.617 8.644 3.363 1.00 0.00 C ATOM 121 NZ LYS A 729 14.301 9.903 3.769 1.00 0.00 N ATOM 0 H LYS A 729 14.615 4.541 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 729 13.494 4.357 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.967 6.339 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.779 6.786 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.127 7.286 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 729 12.979 6.419 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 729 14.891 8.246 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.451 9.163 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.550 8.728 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 729 13.993 7.816 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.135 10.078 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.323 9.814 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 13.924 10.697 3.214 1.00 0.00 H new ATOM 135 N CYS A 730 11.167 4.173 0.509 1.00 0.00 N ATOM 136 CA CYS A 730 9.779 4.028 0.085 1.00 0.00 C ATOM 137 C CYS A 730 9.065 5.380 0.111 1.00 0.00 C ATOM 138 O CYS A 730 9.283 6.186 1.015 1.00 0.00 O ATOM 139 CB CYS A 730 9.060 3.015 0.987 1.00 0.00 C ATOM 140 SG CYS A 730 7.256 3.016 0.842 1.00 0.00 S ATOM 0 H CYS A 730 11.363 3.811 1.442 1.00 0.00 H new ATOM 0 HA CYS A 730 9.760 3.657 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.429 2.016 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.327 3.219 2.024 1.00 0.00 H new ATOM 0 HG CYS A 730 6.726 3.192 2.016 1.00 0.00 H new ATOM 145 N PRO A 731 8.207 5.651 -0.892 1.00 0.00 N ATOM 146 CA PRO A 731 7.470 6.916 -0.985 1.00 0.00 C ATOM 147 C PRO A 731 6.236 6.967 -0.087 1.00 0.00 C ATOM 148 O PRO A 731 5.288 7.700 -0.369 1.00 0.00 O ATOM 149 CB PRO A 731 7.049 6.956 -2.451 1.00 0.00 C ATOM 150 CG PRO A 731 6.894 5.525 -2.838 1.00 0.00 C ATOM 151 CD PRO A 731 7.899 4.751 -2.022 1.00 0.00 C ATOM 0 HA PRO A 731 8.081 7.759 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.116 7.505 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.799 7.454 -3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.881 5.176 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 731 7.073 5.390 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.488 3.802 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.792 4.519 -2.603 1.00 0.00 H new ATOM 159 N LEU A 732 6.243 6.189 0.989 1.00 0.00 N ATOM 160 CA LEU A 732 5.114 6.156 1.910 1.00 0.00 C ATOM 161 C LEU A 732 5.569 6.190 3.369 1.00 0.00 C ATOM 162 O LEU A 732 4.744 6.215 4.281 1.00 0.00 O ATOM 163 CB LEU A 732 4.275 4.904 1.656 1.00 0.00 C ATOM 164 CG LEU A 732 3.516 4.898 0.328 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.596 3.530 -0.332 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.066 5.301 0.547 1.00 0.00 C ATOM 0 H LEU A 732 7.016 5.574 1.245 1.00 0.00 H new ATOM 0 HA LEU A 732 4.512 7.047 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.929 4.033 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.557 4.794 2.469 1.00 0.00 H new ATOM 0 HG LEU A 732 3.982 5.624 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.049 3.548 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.639 3.278 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.157 2.782 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.538 5.292 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.592 4.597 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.027 6.303 0.974 1.00 0.00 H new ATOM 178 N CYS A 733 6.882 6.190 3.587 1.00 0.00 N ATOM 179 CA CYS A 733 7.429 6.217 4.937 1.00 0.00 C ATOM 180 C CYS A 733 8.805 6.877 4.952 1.00 0.00 C ATOM 181 O CYS A 733 9.237 7.453 3.953 1.00 0.00 O ATOM 182 CB CYS A 733 7.527 4.796 5.491 1.00 0.00 C ATOM 183 SG CYS A 733 8.623 3.717 4.542 1.00 0.00 S ATOM 0 H CYS A 733 7.584 6.172 2.847 1.00 0.00 H new ATOM 0 HA CYS A 733 6.759 6.803 5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.880 4.841 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.530 4.356 5.515 1.00 0.00 H new ATOM 0 HG CYS A 733 9.567 4.427 3.998 1.00 0.00 H new ATOM 188 N GLU A 734 9.489 6.788 6.087 1.00 0.00 N ATOM 189 CA GLU A 734 10.817 7.375 6.228 1.00 0.00 C ATOM 190 C GLU A 734 11.838 6.320 6.646 1.00 0.00 C ATOM 191 O GLU A 734 12.671 6.559 7.521 1.00 0.00 O ATOM 192 CB GLU A 734 10.788 8.510 7.254 1.00 0.00 C ATOM 193 CG GLU A 734 10.192 9.801 6.716 1.00 0.00 C ATOM 194 CD GLU A 734 9.732 10.735 7.818 1.00 0.00 C ATOM 195 OE1 GLU A 734 8.625 10.521 8.356 1.00 0.00 O ATOM 196 OE2 GLU A 734 10.479 11.681 8.145 1.00 0.00 O ATOM 0 H GLU A 734 9.146 6.315 6.923 1.00 0.00 H new ATOM 0 HA GLU A 734 11.115 7.777 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.214 8.189 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.804 8.704 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.933 10.310 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.347 9.565 6.069 1.00 0.00 H new ATOM 203 N LEU A 735 11.763 5.151 6.017 1.00 0.00 N ATOM 204 CA LEU A 735 12.681 4.058 6.325 1.00 0.00 C ATOM 205 C LEU A 735 13.684 3.852 5.195 1.00 0.00 C ATOM 206 O LEU A 735 13.389 4.125 4.031 1.00 0.00 O ATOM 207 CB LEU A 735 11.902 2.763 6.575 1.00 0.00 C ATOM 208 CG LEU A 735 12.355 1.962 7.796 1.00 0.00 C ATOM 209 CD1 LEU A 735 11.789 2.568 9.070 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.933 0.506 7.662 1.00 0.00 C ATOM 0 H LEU A 735 11.078 4.936 5.293 1.00 0.00 H new ATOM 0 HA LEU A 735 13.230 4.324 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.846 3.008 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.986 2.130 5.692 1.00 0.00 H new ATOM 0 HG LEU A 735 13.443 2.001 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.122 1.985 9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.139 3.595 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 735 10.700 2.559 9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.263 -0.051 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.847 0.448 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 735 12.386 0.077 6.768 1.00 0.00 H new ATOM 222 N MET A 736 14.869 3.364 5.546 1.00 0.00 N ATOM 223 CA MET A 736 15.918 3.115 4.563 1.00 0.00 C ATOM 224 C MET A 736 16.186 1.620 4.428 1.00 0.00 C ATOM 225 O MET A 736 16.329 0.913 5.426 1.00 0.00 O ATOM 226 CB MET A 736 17.204 3.841 4.963 1.00 0.00 C ATOM 227 CG MET A 736 17.195 5.325 4.629 1.00 0.00 C ATOM 228 SD MET A 736 18.721 6.155 5.112 1.00 0.00 S ATOM 229 CE MET A 736 19.503 6.381 3.516 1.00 0.00 C ATOM 0 H MET A 736 15.128 3.133 6.505 1.00 0.00 H new ATOM 0 HA MET A 736 15.580 3.496 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.362 3.719 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.049 3.369 4.461 1.00 0.00 H new ATOM 0 HG2 MET A 736 17.041 5.451 3.557 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.353 5.801 5.131 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.411 5.780 3.467 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.818 6.068 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.756 7.433 3.380 1.00 0.00 H new ATOM 239 N PHE A 737 16.247 1.142 3.190 1.00 0.00 N ATOM 240 CA PHE A 737 16.494 -0.272 2.930 1.00 0.00 C ATOM 241 C PHE A 737 17.898 -0.488 2.363 1.00 0.00 C ATOM 242 O PHE A 737 18.388 0.318 1.573 1.00 0.00 O ATOM 243 CB PHE A 737 15.438 -0.823 1.966 1.00 0.00 C ATOM 244 CG PHE A 737 14.053 -0.866 2.552 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.855 -1.229 3.875 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.949 -0.540 1.778 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.584 -1.269 4.414 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.675 -0.579 2.314 1.00 0.00 C ATOM 249 CZ PHE A 737 11.493 -0.943 3.633 1.00 0.00 C ATOM 0 H PHE A 737 16.129 1.711 2.352 1.00 0.00 H new ATOM 0 HA PHE A 737 16.426 -0.811 3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.424 -0.209 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.726 -1.829 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.704 -1.484 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.086 -0.253 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.444 -1.555 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.823 -0.325 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.499 -0.973 4.054 1.00 0.00 H new ATOM 259 N PRO A 738 18.568 -1.584 2.769 1.00 0.00 N ATOM 260 CA PRO A 738 19.925 -1.902 2.305 1.00 0.00 C ATOM 261 C PRO A 738 19.981 -2.204 0.809 1.00 0.00 C ATOM 262 O PRO A 738 18.981 -2.598 0.208 1.00 0.00 O ATOM 263 CB PRO A 738 20.302 -3.147 3.115 1.00 0.00 C ATOM 264 CG PRO A 738 19.003 -3.748 3.521 1.00 0.00 C ATOM 265 CD PRO A 738 18.060 -2.595 3.714 1.00 0.00 C ATOM 0 HA PRO A 738 20.604 -1.061 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.890 -3.844 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.905 -2.885 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.633 -4.432 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.109 -4.324 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.031 -2.875 3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.075 -2.230 4.741 1.00 0.00 H new ATOM 273 N PRO A 739 21.161 -2.023 0.188 1.00 0.00 N ATOM 274 CA PRO A 739 21.349 -2.277 -1.246 1.00 0.00 C ATOM 275 C PRO A 739 20.996 -3.711 -1.633 1.00 0.00 C ATOM 276 O PRO A 739 20.629 -3.982 -2.775 1.00 0.00 O ATOM 277 CB PRO A 739 22.843 -2.022 -1.470 1.00 0.00 C ATOM 278 CG PRO A 739 23.263 -1.156 -0.331 1.00 0.00 C ATOM 279 CD PRO A 739 22.402 -1.557 0.832 1.00 0.00 C ATOM 0 HA PRO A 739 20.701 -1.645 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.405 -2.956 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 739 23.020 -1.530 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.319 -1.298 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 739 23.128 -0.102 -0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.868 -2.344 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.217 -0.719 1.504 1.00 0.00 H new ATOM 287 N ASN A 740 21.112 -4.624 -0.673 1.00 0.00 N ATOM 288 CA ASN A 740 20.805 -6.030 -0.916 1.00 0.00 C ATOM 289 C ASN A 740 19.332 -6.334 -0.644 1.00 0.00 C ATOM 290 O ASN A 740 18.937 -7.498 -0.561 1.00 0.00 O ATOM 291 CB ASN A 740 21.689 -6.922 -0.043 1.00 0.00 C ATOM 292 CG ASN A 740 21.894 -8.299 -0.644 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.393 -8.433 -1.762 1.00 0.00 O ATOM 294 ND2 ASN A 740 21.508 -9.331 0.096 1.00 0.00 N ATOM 0 H ASN A 740 21.416 -4.416 0.278 1.00 0.00 H new ATOM 0 HA ASN A 740 21.006 -6.238 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.658 -6.442 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.237 -7.023 0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 740 21.620 -10.282 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 740 21.099 -9.174 1.017 1.00 0.00 H new ATOM 301 N TYR A 741 18.524 -5.288 -0.505 1.00 0.00 N ATOM 302 CA TYR A 741 17.099 -5.453 -0.245 1.00 0.00 C ATOM 303 C TYR A 741 16.364 -5.889 -1.508 1.00 0.00 C ATOM 304 O TYR A 741 16.496 -5.265 -2.561 1.00 0.00 O ATOM 305 CB TYR A 741 16.507 -4.144 0.280 1.00 0.00 C ATOM 306 CG TYR A 741 15.135 -4.299 0.895 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.998 -4.347 0.099 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.976 -4.390 2.272 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.743 -4.483 0.657 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.722 -4.526 2.839 1.00 0.00 C ATOM 311 CZ TYR A 741 12.609 -4.572 2.028 1.00 0.00 C ATOM 312 OH TYR A 741 11.359 -4.704 2.589 1.00 0.00 O ATOM 0 H TYR A 741 18.832 -4.318 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 741 16.976 -6.230 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.183 -3.723 1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.449 -3.428 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.097 -4.277 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.846 -4.354 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.869 -4.520 0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.616 -4.596 3.911 1.00 0.00 H new ATOM 0 HH TYR A 741 11.442 -4.754 3.564 1.00 0.00 H new ATOM 322 N ASP A 742 15.591 -6.963 -1.397 1.00 0.00 N ATOM 323 CA ASP A 742 14.836 -7.481 -2.533 1.00 0.00 C ATOM 324 C ASP A 742 13.729 -6.515 -2.935 1.00 0.00 C ATOM 325 O ASP A 742 12.967 -6.040 -2.092 1.00 0.00 O ATOM 326 CB ASP A 742 14.239 -8.848 -2.195 1.00 0.00 C ATOM 327 CG ASP A 742 15.239 -9.975 -2.364 1.00 0.00 C ATOM 328 OD1 ASP A 742 16.314 -9.914 -1.732 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.946 -10.917 -3.129 1.00 0.00 O ATOM 0 H ASP A 742 15.470 -7.492 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 742 15.521 -7.590 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.877 -8.839 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.376 -9.033 -2.835 1.00 0.00 H new ATOM 334 N GLN A 743 13.647 -6.223 -4.229 1.00 0.00 N ATOM 335 CA GLN A 743 12.632 -5.310 -4.743 1.00 0.00 C ATOM 336 C GLN A 743 11.231 -5.831 -4.451 1.00 0.00 C ATOM 337 O GLN A 743 10.337 -5.066 -4.091 1.00 0.00 O ATOM 338 CB GLN A 743 12.812 -5.107 -6.247 1.00 0.00 C ATOM 339 CG GLN A 743 13.533 -3.818 -6.606 1.00 0.00 C ATOM 340 CD GLN A 743 12.651 -2.847 -7.367 1.00 0.00 C ATOM 341 OE1 GLN A 743 13.079 -2.242 -8.350 1.00 0.00 O ATOM 342 NE2 GLN A 743 11.412 -2.693 -6.915 1.00 0.00 N ATOM 0 H GLN A 743 14.270 -6.605 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 743 12.754 -4.352 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.369 -5.951 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.833 -5.111 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.890 -3.340 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 743 14.411 -4.053 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.099 -3.215 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 743 10.773 -2.053 -7.386 1.00 0.00 H new ATOM 351 N SER A 744 11.046 -7.139 -4.604 1.00 0.00 N ATOM 352 CA SER A 744 9.750 -7.760 -4.348 1.00 0.00 C ATOM 353 C SER A 744 9.268 -7.416 -2.944 1.00 0.00 C ATOM 354 O SER A 744 8.111 -7.038 -2.743 1.00 0.00 O ATOM 355 CB SER A 744 9.844 -9.278 -4.513 1.00 0.00 C ATOM 356 OG SER A 744 10.748 -9.625 -5.548 1.00 0.00 O ATOM 0 H SER A 744 11.774 -7.788 -4.903 1.00 0.00 H new ATOM 0 HA SER A 744 9.032 -7.373 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.169 -9.729 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.858 -9.684 -4.737 1.00 0.00 H new ATOM 0 HG SER A 744 10.791 -10.600 -5.632 1.00 0.00 H new ATOM 362 N LYS A 745 10.173 -7.525 -1.980 1.00 0.00 N ATOM 363 CA LYS A 745 9.854 -7.204 -0.599 1.00 0.00 C ATOM 364 C LYS A 745 9.532 -5.722 -0.486 1.00 0.00 C ATOM 365 O LYS A 745 8.668 -5.315 0.291 1.00 0.00 O ATOM 366 CB LYS A 745 11.024 -7.569 0.318 1.00 0.00 C ATOM 367 CG LYS A 745 10.698 -8.675 1.309 1.00 0.00 C ATOM 368 CD LYS A 745 10.770 -8.180 2.744 1.00 0.00 C ATOM 369 CE LYS A 745 12.184 -8.268 3.294 1.00 0.00 C ATOM 370 NZ LYS A 745 12.202 -8.707 4.716 1.00 0.00 N ATOM 0 H LYS A 745 11.133 -7.833 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 745 8.985 -7.784 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.871 -7.879 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.335 -6.680 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.699 -9.063 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.394 -9.502 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 745 10.424 -7.148 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 745 10.099 -8.770 3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.765 -8.966 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 745 12.668 -7.295 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.185 -8.754 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 11.670 -8.027 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 11.764 -9.647 4.795 1.00 0.00 H new ATOM 384 N PHE A 746 10.234 -4.921 -1.281 1.00 0.00 N ATOM 385 CA PHE A 746 10.030 -3.482 -1.294 1.00 0.00 C ATOM 386 C PHE A 746 8.644 -3.159 -1.831 1.00 0.00 C ATOM 387 O PHE A 746 7.947 -2.295 -1.303 1.00 0.00 O ATOM 388 CB PHE A 746 11.101 -2.802 -2.146 1.00 0.00 C ATOM 389 CG PHE A 746 11.016 -1.303 -2.137 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.121 -0.595 -0.950 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.833 -0.600 -3.318 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.044 0.784 -0.941 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.755 0.780 -3.314 1.00 0.00 C ATOM 394 CZ PHE A 746 10.861 1.473 -2.123 1.00 0.00 C ATOM 0 H PHE A 746 10.952 -5.249 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 746 10.109 -3.106 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.085 -3.104 -1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 746 11.015 -3.156 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.265 -1.128 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.750 -1.137 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.127 1.323 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.611 1.316 -4.240 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.801 2.551 -2.117 1.00 0.00 H new ATOM 404 N GLU A 747 8.242 -3.875 -2.877 1.00 0.00 N ATOM 405 CA GLU A 747 6.928 -3.679 -3.472 1.00 0.00 C ATOM 406 C GLU A 747 5.847 -3.988 -2.447 1.00 0.00 C ATOM 407 O GLU A 747 4.839 -3.287 -2.354 1.00 0.00 O ATOM 408 CB GLU A 747 6.759 -4.573 -4.703 1.00 0.00 C ATOM 409 CG GLU A 747 7.408 -4.011 -5.957 1.00 0.00 C ATOM 410 CD GLU A 747 6.757 -2.724 -6.424 1.00 0.00 C ATOM 411 OE1 GLU A 747 7.026 -1.667 -5.816 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.977 -2.774 -7.399 1.00 0.00 O ATOM 0 H GLU A 747 8.807 -4.594 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 747 6.836 -2.639 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.186 -5.553 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.696 -4.722 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 747 8.465 -3.830 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.352 -4.752 -6.754 1.00 0.00 H new ATOM 419 N GLU A 748 6.078 -5.041 -1.668 1.00 0.00 N ATOM 420 CA GLU A 748 5.139 -5.449 -0.631 1.00 0.00 C ATOM 421 C GLU A 748 5.081 -4.407 0.479 1.00 0.00 C ATOM 422 O GLU A 748 4.006 -4.065 0.972 1.00 0.00 O ATOM 423 CB GLU A 748 5.548 -6.806 -0.055 1.00 0.00 C ATOM 424 CG GLU A 748 4.469 -7.871 -0.179 1.00 0.00 C ATOM 425 CD GLU A 748 3.437 -7.788 0.927 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.253 -6.686 1.486 1.00 0.00 O ATOM 427 OE2 GLU A 748 2.813 -8.824 1.236 1.00 0.00 O ATOM 0 H GLU A 748 6.910 -5.628 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 748 4.148 -5.536 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.448 -7.151 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.805 -6.682 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.971 -7.768 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 748 4.934 -8.857 -0.164 1.00 0.00 H new ATOM 434 N HIS A 749 6.248 -3.899 0.858 1.00 0.00 N ATOM 435 CA HIS A 749 6.342 -2.886 1.901 1.00 0.00 C ATOM 436 C HIS A 749 5.642 -1.615 1.446 1.00 0.00 C ATOM 437 O HIS A 749 4.799 -1.066 2.157 1.00 0.00 O ATOM 438 CB HIS A 749 7.818 -2.622 2.234 1.00 0.00 C ATOM 439 CG HIS A 749 8.113 -1.236 2.721 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.173 -0.886 4.050 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.389 -0.105 2.023 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.478 0.416 4.118 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.619 0.935 2.915 1.00 0.00 N ATOM 0 H HIS A 749 7.145 -4.174 0.457 1.00 0.00 H new ATOM 0 HA HIS A 749 5.848 -3.240 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.138 -3.335 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.417 -2.815 1.344 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.014 -1.508 4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.424 -0.026 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.593 0.969 5.039 1.00 0.00 H new ATOM 451 N VAL A 750 5.975 -1.170 0.242 1.00 0.00 N ATOM 452 CA VAL A 750 5.358 0.017 -0.325 1.00 0.00 C ATOM 453 C VAL A 750 3.845 -0.173 -0.397 1.00 0.00 C ATOM 454 O VAL A 750 3.076 0.754 -0.148 1.00 0.00 O ATOM 455 CB VAL A 750 5.904 0.309 -1.735 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.194 1.503 -2.359 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.407 0.542 -1.687 1.00 0.00 C ATOM 0 H VAL A 750 6.669 -1.614 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 750 5.597 0.863 0.319 1.00 0.00 H new ATOM 0 HB VAL A 750 5.710 -0.562 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.599 1.688 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.127 1.293 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.347 2.384 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.776 0.747 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.623 1.393 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.901 -0.347 -1.294 1.00 0.00 H new ATOM 467 N GLU A 751 3.434 -1.394 -0.727 1.00 0.00 N ATOM 468 CA GLU A 751 2.019 -1.730 -0.820 1.00 0.00 C ATOM 469 C GLU A 751 1.385 -1.779 0.565 1.00 0.00 C ATOM 470 O GLU A 751 0.190 -1.533 0.722 1.00 0.00 O ATOM 471 CB GLU A 751 1.838 -3.075 -1.523 1.00 0.00 C ATOM 472 CG GLU A 751 2.183 -3.041 -3.004 1.00 0.00 C ATOM 473 CD GLU A 751 2.620 -4.393 -3.532 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.239 -5.418 -2.927 1.00 0.00 O ATOM 475 OE2 GLU A 751 3.342 -4.428 -4.551 1.00 0.00 O ATOM 0 H GLU A 751 4.064 -2.169 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 751 1.522 -0.955 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.463 -3.820 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.804 -3.400 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.315 -2.698 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.979 -2.315 -3.171 1.00 0.00 H new ATOM 482 N SER A 752 2.192 -2.095 1.574 1.00 0.00 N ATOM 483 CA SER A 752 1.702 -2.168 2.945 1.00 0.00 C ATOM 484 C SER A 752 1.058 -0.847 3.349 1.00 0.00 C ATOM 485 O SER A 752 0.032 -0.825 4.030 1.00 0.00 O ATOM 486 CB SER A 752 2.846 -2.507 3.902 1.00 0.00 C ATOM 487 OG SER A 752 2.407 -3.375 4.933 1.00 0.00 O ATOM 0 H SER A 752 3.185 -2.304 1.468 1.00 0.00 H new ATOM 0 HA SER A 752 0.952 -2.957 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.660 -2.976 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.243 -1.591 4.338 1.00 0.00 H new ATOM 0 HG SER A 752 3.157 -3.578 5.531 1.00 0.00 H new ATOM 493 N HIS A 753 1.668 0.252 2.918 1.00 0.00 N ATOM 494 CA HIS A 753 1.156 1.585 3.226 1.00 0.00 C ATOM 495 C HIS A 753 -0.092 1.905 2.406 1.00 0.00 C ATOM 496 O HIS A 753 -0.887 2.767 2.781 1.00 0.00 O ATOM 497 CB HIS A 753 2.223 2.646 2.956 1.00 0.00 C ATOM 498 CG HIS A 753 3.568 2.304 3.514 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.933 2.522 4.822 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.650 1.754 2.908 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.198 2.108 4.970 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.679 1.631 3.838 1.00 0.00 N ATOM 0 H HIS A 753 2.518 0.247 2.354 1.00 0.00 H new ATOM 0 HA HIS A 753 0.891 1.595 4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.313 2.792 1.880 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.894 3.595 3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.345 2.927 5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.705 1.459 1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.752 2.158 5.896 1.00 0.00 H new ATOM 510 N TRP A 754 -0.256 1.214 1.281 1.00 0.00 N ATOM 511 CA TRP A 754 -1.404 1.438 0.410 1.00 0.00 C ATOM 512 C TRP A 754 -2.705 1.058 1.105 1.00 0.00 C ATOM 513 O TRP A 754 -2.710 0.272 2.052 1.00 0.00 O ATOM 514 CB TRP A 754 -1.262 0.629 -0.880 1.00 0.00 C ATOM 515 CG TRP A 754 -0.282 1.213 -1.848 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.822 1.957 -1.553 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.322 1.099 -3.272 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.469 2.317 -2.712 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.786 1.801 -3.781 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.191 0.472 -4.164 1.00 0.00 C ATOM 521 CZ2 TRP A 754 1.047 1.890 -5.146 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.933 0.560 -5.519 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.178 1.264 -5.999 1.00 0.00 C ATOM 0 H TRP A 754 0.390 0.496 0.953 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.434 2.501 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.953 -0.386 -0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.237 0.556 -1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.141 2.224 -0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.320 2.877 -2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.051 -0.073 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.903 2.433 -5.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.599 0.078 -6.219 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.353 1.314 -7.064 1.00 0.00 H new ATOM 534 N LYS A 755 -3.810 1.613 0.617 1.00 0.00 N ATOM 535 CA LYS A 755 -5.123 1.323 1.179 1.00 0.00 C ATOM 536 C LYS A 755 -5.665 0.035 0.584 1.00 0.00 C ATOM 537 O LYS A 755 -5.941 -0.031 -0.609 1.00 0.00 O ATOM 538 CB LYS A 755 -6.088 2.476 0.896 1.00 0.00 C ATOM 539 CG LYS A 755 -6.091 3.545 1.974 1.00 0.00 C ATOM 540 CD LYS A 755 -6.242 4.935 1.378 1.00 0.00 C ATOM 541 CE LYS A 755 -6.153 6.009 2.448 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.511 7.252 1.937 1.00 0.00 N ATOM 0 H LYS A 755 -3.821 2.266 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.026 1.206 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.824 2.934 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.097 2.077 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.906 3.357 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.164 3.491 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.466 5.098 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -7.200 5.010 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.153 6.241 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -5.584 5.629 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.470 7.960 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.547 7.036 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -6.068 7.629 1.144 1.00 0.00 H new ATOM 556 N VAL A 756 -5.802 -0.997 1.408 1.00 0.00 N ATOM 557 CA VAL A 756 -6.294 -2.277 0.923 1.00 0.00 C ATOM 558 C VAL A 756 -7.567 -2.712 1.631 1.00 0.00 C ATOM 559 O VAL A 756 -7.674 -2.642 2.856 1.00 0.00 O ATOM 560 CB VAL A 756 -5.234 -3.381 1.080 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.695 -4.671 0.420 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.915 -2.919 0.492 1.00 0.00 C ATOM 0 H VAL A 756 -5.582 -0.972 2.404 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.517 -2.132 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.093 -3.581 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.929 -5.437 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.622 -5.006 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.864 -4.496 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.170 -3.706 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.047 -2.696 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.579 -2.022 1.012 1.00 0.00 H new ATOM 572 N CYS A 757 -8.523 -3.179 0.840 1.00 0.00 N ATOM 573 CA CYS A 757 -9.794 -3.652 1.365 1.00 0.00 C ATOM 574 C CYS A 757 -9.639 -5.068 1.915 1.00 0.00 C ATOM 575 O CYS A 757 -9.090 -5.943 1.246 1.00 0.00 O ATOM 576 CB CYS A 757 -10.857 -3.615 0.266 1.00 0.00 C ATOM 577 SG CYS A 757 -12.516 -4.072 0.822 1.00 0.00 S ATOM 0 H CYS A 757 -8.440 -3.240 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.111 -2.999 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.892 -2.611 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.557 -4.288 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.841 -5.224 0.316 1.00 0.00 H new ATOM 582 N PRO A 758 -10.101 -5.314 3.154 1.00 0.00 N ATOM 583 CA PRO A 758 -9.987 -6.624 3.794 1.00 0.00 C ATOM 584 C PRO A 758 -11.129 -7.573 3.442 1.00 0.00 C ATOM 585 O PRO A 758 -11.091 -8.752 3.793 1.00 0.00 O ATOM 586 CB PRO A 758 -10.032 -6.267 5.276 1.00 0.00 C ATOM 587 CG PRO A 758 -10.923 -5.073 5.345 1.00 0.00 C ATOM 588 CD PRO A 758 -10.753 -4.330 4.041 1.00 0.00 C ATOM 0 HA PRO A 758 -9.090 -7.156 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.426 -7.091 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -9.037 -6.043 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.961 -5.372 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.655 -4.438 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.712 -4.004 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.140 -3.438 4.167 1.00 0.00 H new ATOM 596 N MET A 759 -12.149 -7.060 2.762 1.00 0.00 N ATOM 597 CA MET A 759 -13.294 -7.881 2.390 1.00 0.00 C ATOM 598 C MET A 759 -13.065 -8.596 1.059 1.00 0.00 C ATOM 599 O MET A 759 -13.630 -9.662 0.815 1.00 0.00 O ATOM 600 CB MET A 759 -14.547 -7.014 2.309 1.00 0.00 C ATOM 601 CG MET A 759 -14.827 -6.241 3.588 1.00 0.00 C ATOM 602 SD MET A 759 -16.159 -6.962 4.565 1.00 0.00 S ATOM 603 CE MET A 759 -15.646 -6.506 6.219 1.00 0.00 C ATOM 0 H MET A 759 -12.206 -6.088 2.460 1.00 0.00 H new ATOM 0 HA MET A 759 -13.425 -8.643 3.158 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.441 -6.310 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.404 -7.647 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.920 -6.205 4.191 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.084 -5.212 3.336 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.411 -7.405 6.788 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.762 -5.870 6.164 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.452 -5.964 6.714 1.00 0.00 H new ATOM 613 N CYS A 760 -12.234 -8.009 0.203 1.00 0.00 N ATOM 614 CA CYS A 760 -11.939 -8.608 -1.098 1.00 0.00 C ATOM 615 C CYS A 760 -10.434 -8.661 -1.374 1.00 0.00 C ATOM 616 O CYS A 760 -9.983 -9.420 -2.232 1.00 0.00 O ATOM 617 CB CYS A 760 -12.648 -7.835 -2.211 1.00 0.00 C ATOM 618 SG CYS A 760 -11.969 -6.189 -2.508 1.00 0.00 S ATOM 0 H CYS A 760 -11.755 -7.126 0.383 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.309 -9.633 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.591 -8.412 -3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.704 -7.741 -1.958 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.809 -5.291 -2.086 1.00 0.00 H new ATOM 623 N SER A 761 -9.660 -7.852 -0.645 1.00 0.00 N ATOM 624 CA SER A 761 -8.206 -7.808 -0.808 1.00 0.00 C ATOM 625 C SER A 761 -7.799 -6.930 -1.992 1.00 0.00 C ATOM 626 O SER A 761 -6.830 -7.228 -2.691 1.00 0.00 O ATOM 627 CB SER A 761 -7.628 -9.217 -0.978 1.00 0.00 C ATOM 628 OG SER A 761 -6.521 -9.423 -0.119 1.00 0.00 O ATOM 0 H SER A 761 -10.019 -7.216 0.067 1.00 0.00 H new ATOM 0 HA SER A 761 -7.795 -7.367 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 761 -8.399 -9.957 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.321 -9.365 -2.013 1.00 0.00 H new ATOM 0 HG SER A 761 -6.172 -10.330 -0.246 1.00 0.00 H new ATOM 634 N GLU A 762 -8.533 -5.841 -2.201 1.00 0.00 N ATOM 635 CA GLU A 762 -8.232 -4.914 -3.289 1.00 0.00 C ATOM 636 C GLU A 762 -7.169 -3.920 -2.851 1.00 0.00 C ATOM 637 O GLU A 762 -7.152 -3.497 -1.697 1.00 0.00 O ATOM 638 CB GLU A 762 -9.497 -4.162 -3.720 1.00 0.00 C ATOM 639 CG GLU A 762 -10.104 -4.684 -5.012 1.00 0.00 C ATOM 640 CD GLU A 762 -10.922 -3.632 -5.737 1.00 0.00 C ATOM 641 OE1 GLU A 762 -10.435 -2.489 -5.868 1.00 0.00 O ATOM 642 OE2 GLU A 762 -12.049 -3.950 -6.171 1.00 0.00 O ATOM 0 H GLU A 762 -9.339 -5.579 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.858 -5.489 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.240 -4.232 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.258 -3.105 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.307 -5.036 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.737 -5.543 -4.791 1.00 0.00 H new ATOM 649 N GLN A 763 -6.283 -3.543 -3.767 1.00 0.00 N ATOM 650 CA GLN A 763 -5.237 -2.590 -3.429 1.00 0.00 C ATOM 651 C GLN A 763 -5.535 -1.224 -4.034 1.00 0.00 C ATOM 652 O GLN A 763 -5.832 -1.101 -5.221 1.00 0.00 O ATOM 653 CB GLN A 763 -3.880 -3.096 -3.929 1.00 0.00 C ATOM 654 CG GLN A 763 -2.993 -3.649 -2.828 1.00 0.00 C ATOM 655 CD GLN A 763 -1.534 -3.277 -3.012 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.722 -4.097 -3.438 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.196 -2.034 -2.690 1.00 0.00 N ATOM 0 H GLN A 763 -6.268 -3.876 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.204 -2.489 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -4.044 -3.873 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.359 -2.279 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.341 -3.276 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -3.087 -4.735 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.903 -1.387 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.229 -1.726 -2.792 1.00 0.00 H new ATOM 666 N PHE A 764 -5.437 -0.202 -3.196 1.00 0.00 N ATOM 667 CA PHE A 764 -5.678 1.173 -3.613 1.00 0.00 C ATOM 668 C PHE A 764 -4.432 2.033 -3.403 1.00 0.00 C ATOM 669 O PHE A 764 -3.972 2.194 -2.270 1.00 0.00 O ATOM 670 CB PHE A 764 -6.863 1.757 -2.843 1.00 0.00 C ATOM 671 CG PHE A 764 -8.146 1.009 -3.072 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.970 1.331 -4.138 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.525 -0.020 -2.224 1.00 0.00 C ATOM 674 CE1 PHE A 764 -10.148 0.640 -4.354 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.701 -0.713 -2.434 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.513 -0.383 -3.500 1.00 0.00 C ATOM 0 H PHE A 764 -5.189 -0.301 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.914 1.172 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.633 1.753 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.000 2.798 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -8.689 2.130 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -7.893 -0.283 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -10.782 0.900 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -9.985 -1.512 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.433 -0.924 -3.667 1.00 0.00 H new ATOM 686 N PRO A 765 -3.867 2.608 -4.479 1.00 0.00 N ATOM 687 CA PRO A 765 -2.674 3.456 -4.376 1.00 0.00 C ATOM 688 C PRO A 765 -2.905 4.652 -3.456 1.00 0.00 C ATOM 689 O PRO A 765 -4.044 5.061 -3.231 1.00 0.00 O ATOM 690 CB PRO A 765 -2.434 3.925 -5.814 1.00 0.00 C ATOM 691 CG PRO A 765 -3.137 2.924 -6.665 1.00 0.00 C ATOM 692 CD PRO A 765 -4.333 2.484 -5.871 1.00 0.00 C ATOM 0 HA PRO A 765 -1.827 2.919 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.830 4.928 -5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.369 3.962 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.438 3.362 -7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.487 2.080 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.201 3.115 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.623 1.461 -6.110 1.00 0.00 H new ATOM 700 N PRO A 766 -1.824 5.231 -2.909 1.00 0.00 N ATOM 701 CA PRO A 766 -1.916 6.384 -2.009 1.00 0.00 C ATOM 702 C PRO A 766 -2.610 7.574 -2.664 1.00 0.00 C ATOM 703 O PRO A 766 -3.145 8.447 -1.980 1.00 0.00 O ATOM 704 CB PRO A 766 -0.454 6.723 -1.690 1.00 0.00 C ATOM 705 CG PRO A 766 0.350 6.032 -2.739 1.00 0.00 C ATOM 706 CD PRO A 766 -0.432 4.811 -3.122 1.00 0.00 C ATOM 0 HA PRO A 766 -2.510 6.157 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.286 7.800 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.179 6.378 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.507 6.681 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.335 5.761 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.251 4.524 -4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.170 3.953 -2.503 1.00 0.00 H new ATOM 714 N ASP A 767 -2.605 7.601 -3.993 1.00 0.00 N ATOM 715 CA ASP A 767 -3.240 8.681 -4.738 1.00 0.00 C ATOM 716 C ASP A 767 -4.746 8.448 -4.864 1.00 0.00 C ATOM 717 O ASP A 767 -5.489 9.346 -5.259 1.00 0.00 O ATOM 718 CB ASP A 767 -2.615 8.807 -6.128 1.00 0.00 C ATOM 719 CG ASP A 767 -1.446 9.773 -6.151 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.545 10.840 -5.511 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.432 9.461 -6.809 1.00 0.00 O ATOM 0 H ASP A 767 -2.168 6.887 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.079 9.609 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.278 7.826 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.374 9.142 -6.835 1.00 0.00 H new ATOM 726 N TYR A 768 -5.188 7.238 -4.527 1.00 0.00 N ATOM 727 CA TYR A 768 -6.603 6.894 -4.603 1.00 0.00 C ATOM 728 C TYR A 768 -7.417 7.711 -3.607 1.00 0.00 C ATOM 729 O TYR A 768 -7.017 7.882 -2.455 1.00 0.00 O ATOM 730 CB TYR A 768 -6.801 5.401 -4.332 1.00 0.00 C ATOM 731 CG TYR A 768 -7.855 4.761 -5.205 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.548 4.312 -6.483 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.159 4.606 -4.750 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.511 3.726 -7.284 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.127 4.022 -5.545 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.798 3.584 -6.811 1.00 0.00 C ATOM 737 OH TYR A 768 -10.759 3.002 -7.605 1.00 0.00 O ATOM 0 H TYR A 768 -4.587 6.482 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.953 7.126 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.853 4.884 -4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.075 5.264 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.541 4.422 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.420 4.947 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.256 3.381 -8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.136 3.909 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.611 2.977 -7.122 1.00 0.00 H new ATOM 747 N ASP A 769 -8.563 8.210 -4.056 1.00 0.00 N ATOM 748 CA ASP A 769 -9.435 9.003 -3.199 1.00 0.00 C ATOM 749 C ASP A 769 -10.049 8.137 -2.106 1.00 0.00 C ATOM 750 O ASP A 769 -10.663 7.107 -2.389 1.00 0.00 O ATOM 751 CB ASP A 769 -10.539 9.661 -4.029 1.00 0.00 C ATOM 752 CG ASP A 769 -10.100 10.980 -4.634 1.00 0.00 C ATOM 753 OD1 ASP A 769 -9.478 10.959 -5.716 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.379 12.035 -4.026 1.00 0.00 O ATOM 0 H ASP A 769 -8.909 8.080 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.835 9.781 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.844 8.983 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.413 9.826 -3.399 1.00 0.00 H new ATOM 759 N GLN A 770 -9.879 8.555 -0.856 1.00 0.00 N ATOM 760 CA GLN A 770 -10.417 7.813 0.279 1.00 0.00 C ATOM 761 C GLN A 770 -11.921 7.610 0.133 1.00 0.00 C ATOM 762 O GLN A 770 -12.465 6.596 0.569 1.00 0.00 O ATOM 763 CB GLN A 770 -10.111 8.546 1.586 1.00 0.00 C ATOM 764 CG GLN A 770 -8.895 8.001 2.319 1.00 0.00 C ATOM 765 CD GLN A 770 -9.262 7.285 3.605 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.950 7.753 4.699 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.929 6.144 3.477 1.00 0.00 N ATOM 0 H GLN A 770 -9.373 9.404 -0.603 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.939 6.834 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.952 9.603 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.979 8.481 2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -8.359 7.313 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.214 8.821 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.167 5.794 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -10.204 5.618 4.307 1.00 0.00 H new ATOM 776 N GLN A 771 -12.587 8.578 -0.489 1.00 0.00 N ATOM 777 CA GLN A 771 -14.027 8.495 -0.696 1.00 0.00 C ATOM 778 C GLN A 771 -14.377 7.261 -1.520 1.00 0.00 C ATOM 779 O GLN A 771 -15.299 6.516 -1.186 1.00 0.00 O ATOM 780 CB GLN A 771 -14.537 9.755 -1.399 1.00 0.00 C ATOM 781 CG GLN A 771 -15.997 10.065 -1.109 1.00 0.00 C ATOM 782 CD GLN A 771 -16.167 11.233 -0.157 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.982 12.126 -0.392 1.00 0.00 O ATOM 784 NE2 GLN A 771 -15.395 11.233 0.923 1.00 0.00 N ATOM 0 H GLN A 771 -12.154 9.425 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.510 8.415 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.926 10.604 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.406 9.639 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.510 10.286 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.475 9.182 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -14.734 10.472 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -15.463 11.994 1.599 1.00 0.00 H new ATOM 793 N VAL A 772 -13.623 7.044 -2.593 1.00 0.00 N ATOM 794 CA VAL A 772 -13.841 5.896 -3.460 1.00 0.00 C ATOM 795 C VAL A 772 -13.495 4.602 -2.735 1.00 0.00 C ATOM 796 O VAL A 772 -14.198 3.599 -2.861 1.00 0.00 O ATOM 797 CB VAL A 772 -13.001 5.992 -4.747 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.387 4.891 -5.722 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.161 7.363 -5.388 1.00 0.00 C ATOM 0 H VAL A 772 -12.855 7.650 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.897 5.894 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 772 -11.952 5.859 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.782 4.976 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.215 3.919 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.441 4.988 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.560 7.412 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.209 7.528 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.828 8.132 -4.691 1.00 0.00 H new ATOM 809 N PHE A 773 -12.410 4.633 -1.970 1.00 0.00 N ATOM 810 CA PHE A 773 -11.977 3.464 -1.220 1.00 0.00 C ATOM 811 C PHE A 773 -12.980 3.125 -0.124 1.00 0.00 C ATOM 812 O PHE A 773 -13.421 1.982 -0.005 1.00 0.00 O ATOM 813 CB PHE A 773 -10.597 3.702 -0.600 1.00 0.00 C ATOM 814 CG PHE A 773 -10.191 2.628 0.370 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.283 1.289 0.019 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.733 2.957 1.634 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.923 0.300 0.913 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.372 1.971 2.533 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.468 0.641 2.172 1.00 0.00 C ATOM 0 H PHE A 773 -11.816 5.454 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.915 2.625 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.854 3.764 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.597 4.664 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.640 1.017 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.657 3.995 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.997 -0.739 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.015 2.240 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.188 -0.131 2.873 1.00 0.00 H new ATOM 829 N GLU A 774 -13.337 4.126 0.675 1.00 0.00 N ATOM 830 CA GLU A 774 -14.286 3.933 1.764 1.00 0.00 C ATOM 831 C GLU A 774 -15.585 3.337 1.241 1.00 0.00 C ATOM 832 O GLU A 774 -16.130 2.402 1.825 1.00 0.00 O ATOM 833 CB GLU A 774 -14.563 5.261 2.473 1.00 0.00 C ATOM 834 CG GLU A 774 -13.678 5.498 3.685 1.00 0.00 C ATOM 835 CD GLU A 774 -13.814 6.903 4.239 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.912 7.247 4.725 1.00 0.00 O ATOM 837 OE2 GLU A 774 -12.821 7.660 4.188 1.00 0.00 O ATOM 0 H GLU A 774 -12.983 5.079 0.588 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.848 3.238 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.422 6.078 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.607 5.286 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.933 4.778 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.638 5.318 3.412 1.00 0.00 H new ATOM 844 N ARG A 775 -16.068 3.877 0.129 1.00 0.00 N ATOM 845 CA ARG A 775 -17.293 3.385 -0.478 1.00 0.00 C ATOM 846 C ARG A 775 -17.116 1.936 -0.927 1.00 0.00 C ATOM 847 O ARG A 775 -18.025 1.116 -0.790 1.00 0.00 O ATOM 848 CB ARG A 775 -17.726 4.294 -1.643 1.00 0.00 C ATOM 849 CG ARG A 775 -17.050 4.002 -2.979 1.00 0.00 C ATOM 850 CD ARG A 775 -18.064 3.615 -4.047 1.00 0.00 C ATOM 851 NE ARG A 775 -17.794 4.278 -5.322 1.00 0.00 N ATOM 852 CZ ARG A 775 -18.693 4.410 -6.293 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.920 3.927 -6.143 1.00 0.00 N ATOM 854 NH2 ARG A 775 -18.364 5.027 -7.421 1.00 0.00 N ATOM 0 H ARG A 775 -15.630 4.653 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.090 3.408 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.805 4.204 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.523 5.330 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.494 4.881 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.327 3.196 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.047 2.534 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -19.066 3.876 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 775 -16.861 4.662 -5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -20.179 3.451 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -20.604 4.032 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -17.422 5.399 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -19.053 5.129 -8.166 1.00 0.00 H new ATOM 868 N HIS A 776 -15.935 1.626 -1.458 1.00 0.00 N ATOM 869 CA HIS A 776 -15.637 0.276 -1.919 1.00 0.00 C ATOM 870 C HIS A 776 -15.628 -0.706 -0.751 1.00 0.00 C ATOM 871 O HIS A 776 -16.246 -1.767 -0.818 1.00 0.00 O ATOM 872 CB HIS A 776 -14.284 0.242 -2.637 1.00 0.00 C ATOM 873 CG HIS A 776 -13.674 -1.126 -2.701 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.798 -1.972 -3.779 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.935 -1.799 -1.781 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.148 -3.106 -3.486 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.605 -3.048 -2.288 1.00 0.00 N ATOM 0 H HIS A 776 -15.172 2.292 -1.579 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.418 -0.021 -2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.410 0.622 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.594 0.915 -2.127 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.296 -1.771 -4.646 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.650 -1.422 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -13.078 -3.957 -4.147 1.00 0.00 H new ATOM 885 N VAL A 777 -14.928 -0.349 0.320 1.00 0.00 N ATOM 886 CA VAL A 777 -14.858 -1.215 1.491 1.00 0.00 C ATOM 887 C VAL A 777 -16.223 -1.297 2.161 1.00 0.00 C ATOM 888 O VAL A 777 -16.584 -2.319 2.745 1.00 0.00 O ATOM 889 CB VAL A 777 -13.821 -0.742 2.531 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.209 -1.935 3.247 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.733 0.105 1.892 1.00 0.00 C ATOM 0 H VAL A 777 -14.406 0.524 0.402 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.543 -2.195 1.131 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.342 -0.119 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.479 -1.586 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.993 -2.495 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.715 -2.581 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.021 0.420 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.215 -0.481 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.181 0.984 1.429 1.00 0.00 H new ATOM 901 N GLN A 778 -16.982 -0.208 2.062 1.00 0.00 N ATOM 902 CA GLN A 778 -18.314 -0.146 2.648 1.00 0.00 C ATOM 903 C GLN A 778 -19.268 -1.073 1.905 1.00 0.00 C ATOM 904 O GLN A 778 -20.179 -1.650 2.500 1.00 0.00 O ATOM 905 CB GLN A 778 -18.846 1.287 2.612 1.00 0.00 C ATOM 906 CG GLN A 778 -18.311 2.162 3.733 1.00 0.00 C ATOM 907 CD GLN A 778 -18.822 1.740 5.096 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.989 1.379 5.251 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.947 1.782 6.095 1.00 0.00 N ATOM 0 H GLN A 778 -16.694 0.644 1.580 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.246 -0.471 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.586 1.738 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.934 1.263 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.222 2.124 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.595 3.198 3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.989 2.088 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.233 1.509 7.035 1.00 0.00 H new ATOM 918 N THR A 779 -19.050 -1.218 0.600 1.00 0.00 N ATOM 919 CA THR A 779 -19.891 -2.084 -0.218 1.00 0.00 C ATOM 920 C THR A 779 -19.846 -3.519 0.295 1.00 0.00 C ATOM 921 O THR A 779 -20.784 -4.292 0.097 1.00 0.00 O ATOM 922 CB THR A 779 -19.458 -2.021 -1.690 1.00 0.00 C ATOM 923 OG1 THR A 779 -20.548 -2.326 -2.542 1.00 0.00 O ATOM 924 CG2 THR A 779 -18.327 -2.967 -2.041 1.00 0.00 C ATOM 0 H THR A 779 -18.302 -0.749 0.090 1.00 0.00 H new ATOM 0 HA THR A 779 -20.919 -1.729 -0.147 1.00 0.00 H new ATOM 0 HB THR A 779 -19.104 -1.000 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 779 -20.256 -2.280 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.080 -2.862 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 779 -17.451 -2.727 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.635 -3.993 -1.840 1.00 0.00 H new ATOM 932 N HIS A 780 -18.749 -3.864 0.957 1.00 0.00 N ATOM 933 CA HIS A 780 -18.570 -5.199 1.503 1.00 0.00 C ATOM 934 C HIS A 780 -19.225 -5.320 2.876 1.00 0.00 C ATOM 935 O HIS A 780 -19.679 -6.395 3.266 1.00 0.00 O ATOM 936 CB HIS A 780 -17.081 -5.522 1.603 1.00 0.00 C ATOM 937 CG HIS A 780 -16.385 -5.543 0.277 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.529 -6.554 -0.646 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.524 -4.648 -0.278 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.771 -6.254 -1.708 1.00 0.00 C ATOM 941 NE2 HIS A 780 -15.141 -5.107 -1.535 1.00 0.00 N ATOM 0 H HIS A 780 -17.967 -3.232 1.128 1.00 0.00 H new ATOM 0 HA HIS A 780 -19.050 -5.912 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.600 -4.785 2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.959 -6.492 2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -17.111 -7.385 -0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.191 -3.729 0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.686 -6.870 -2.591 1.00 0.00 H new ATOM 949 N PHE A 781 -19.270 -4.208 3.606 1.00 0.00 N ATOM 950 CA PHE A 781 -19.870 -4.191 4.936 1.00 0.00 C ATOM 951 C PHE A 781 -21.391 -4.312 4.858 1.00 0.00 C ATOM 952 O PHE A 781 -22.041 -4.695 5.830 1.00 0.00 O ATOM 953 CB PHE A 781 -19.491 -2.902 5.674 1.00 0.00 C ATOM 954 CG PHE A 781 -18.012 -2.624 5.702 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.089 -3.651 5.566 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.547 -1.331 5.868 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.733 -3.390 5.594 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.192 -1.064 5.897 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.284 -2.095 5.760 1.00 0.00 C ATOM 0 H PHE A 781 -18.899 -3.309 3.299 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.484 -5.049 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.999 -2.062 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.859 -2.961 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.435 -4.666 5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.253 -0.520 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.025 -4.198 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.843 -0.050 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.224 -1.889 5.783 1.00 0.00 H new ATOM 969 N ASP A 782 -21.953 -3.981 3.698 1.00 0.00 N ATOM 970 CA ASP A 782 -23.397 -4.052 3.503 1.00 0.00 C ATOM 971 C ASP A 782 -23.809 -5.386 2.883 1.00 0.00 C ATOM 972 O ASP A 782 -24.858 -5.485 2.247 1.00 0.00 O ATOM 973 CB ASP A 782 -23.869 -2.899 2.615 1.00 0.00 C ATOM 974 CG ASP A 782 -24.105 -1.624 3.401 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.474 -1.719 4.590 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.919 -0.530 2.827 1.00 0.00 O ATOM 0 H ASP A 782 -21.431 -3.662 2.882 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.870 -3.971 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.125 -2.713 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.791 -3.187 2.109 1.00 0.00 H new