USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 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= -5.65! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.38 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.97 K(o=-13,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.72 X(o=-13,f=-13) USER MOD Set 2.1: A 730 CYS SG : rot -122:sc= -5.2! USER MOD Set 2.2: A 733 CYS SG : rot 150:sc= -1.23 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.64 K(o=-15,f=-22!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -4.39 K(o=-15,f=-21!) USER MOD Set 3.1: A 728 LYS NZ :NH3+ 153:sc= -0.0521 (180deg=-0.318) USER MOD Set 3.2: A 743 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.7!) USER MOD Single : A 727 HIS : no HD1:sc= -3.93! K(o=-3.9!,f=-1.9) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 744 SER OG : rot 180:sc= 0.0785 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 -161:sc= -0.674 (180deg=-2.16) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -3.49 K(o=-3.5,f=-11!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.25) USER MOD Single : A 771 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.8!) USER MOD Single : A 778 GLN : amide:sc= -0.991 X(o=-0.99,f=-0.81) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.407 2.855 -2.041 1.00 0.00 N ATOM 74 CA HIS A 727 19.452 2.612 -0.967 1.00 0.00 C ATOM 75 C HIS A 727 18.023 2.870 -1.437 1.00 0.00 C ATOM 76 O HIS A 727 17.694 3.971 -1.880 1.00 0.00 O ATOM 77 CB HIS A 727 19.771 3.497 0.240 1.00 0.00 C ATOM 78 CG HIS A 727 20.609 2.815 1.275 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.308 3.495 2.250 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.854 1.502 1.485 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.946 2.628 3.016 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.687 1.412 2.573 1.00 0.00 N ATOM 0 HA HIS A 727 19.535 1.565 -0.674 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.289 4.393 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.837 3.824 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.467 0.677 0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.573 2.873 3.861 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.047 0.546 2.974 1.00 0.00 H new ATOM 91 N LYS A 728 17.179 1.848 -1.336 1.00 0.00 N ATOM 92 CA LYS A 728 15.786 1.964 -1.750 1.00 0.00 C ATOM 93 C LYS A 728 14.971 2.717 -0.704 1.00 0.00 C ATOM 94 O LYS A 728 15.005 2.385 0.482 1.00 0.00 O ATOM 95 CB LYS A 728 15.183 0.577 -1.980 1.00 0.00 C ATOM 96 CG LYS A 728 15.694 -0.108 -3.238 1.00 0.00 C ATOM 97 CD LYS A 728 15.142 -1.518 -3.366 1.00 0.00 C ATOM 98 CE LYS A 728 13.850 -1.540 -4.166 1.00 0.00 C ATOM 99 NZ LYS A 728 14.078 -1.216 -5.601 1.00 0.00 N ATOM 0 H LYS A 728 17.436 0.931 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 728 15.755 2.525 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.403 -0.053 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.098 0.667 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.410 0.476 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.783 -0.143 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.881 -2.157 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.964 -1.932 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.390 -2.525 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.147 -0.824 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.338 -1.663 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 14.046 -0.185 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.010 -1.574 -5.894 1.00 0.00 H new ATOM 113 N LYS A 729 14.240 3.735 -1.149 1.00 0.00 N ATOM 114 CA LYS A 729 13.417 4.535 -0.249 1.00 0.00 C ATOM 115 C LYS A 729 11.948 4.472 -0.651 1.00 0.00 C ATOM 116 O LYS A 729 11.586 4.812 -1.778 1.00 0.00 O ATOM 117 CB LYS A 729 13.896 5.989 -0.246 1.00 0.00 C ATOM 118 CG LYS A 729 13.186 6.861 0.776 1.00 0.00 C ATOM 119 CD LYS A 729 13.566 8.324 0.621 1.00 0.00 C ATOM 120 CE LYS A 729 13.714 9.008 1.971 1.00 0.00 C ATOM 121 NZ LYS A 729 13.563 10.485 1.864 1.00 0.00 N ATOM 0 H LYS A 729 14.201 4.025 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 729 13.516 4.124 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.967 6.009 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.748 6.414 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.107 6.750 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 729 13.438 6.523 1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 729 14.502 8.401 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 729 12.806 8.838 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.967 8.616 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.691 8.772 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 13.671 10.914 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.292 10.863 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 12.621 10.711 1.486 1.00 0.00 H new ATOM 135 N CYS A 730 11.104 4.037 0.279 1.00 0.00 N ATOM 136 CA CYS A 730 9.672 3.931 0.025 1.00 0.00 C ATOM 137 C CYS A 730 9.025 5.319 -0.002 1.00 0.00 C ATOM 138 O CYS A 730 9.363 6.183 0.808 1.00 0.00 O ATOM 139 CB CYS A 730 9.012 3.052 1.093 1.00 0.00 C ATOM 140 SG CYS A 730 7.204 3.031 1.036 1.00 0.00 S ATOM 0 H CYS A 730 11.388 3.752 1.216 1.00 0.00 H new ATOM 0 HA CYS A 730 9.525 3.468 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.378 2.031 0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.328 3.399 2.077 1.00 0.00 H new ATOM 0 HG CYS A 730 6.729 3.429 2.179 1.00 0.00 H new ATOM 145 N PRO A 731 8.091 5.554 -0.942 1.00 0.00 N ATOM 146 CA PRO A 731 7.411 6.844 -1.077 1.00 0.00 C ATOM 147 C PRO A 731 6.216 7.000 -0.135 1.00 0.00 C ATOM 148 O PRO A 731 5.305 7.781 -0.405 1.00 0.00 O ATOM 149 CB PRO A 731 6.936 6.819 -2.526 1.00 0.00 C ATOM 150 CG PRO A 731 6.671 5.380 -2.810 1.00 0.00 C ATOM 151 CD PRO A 731 7.635 4.587 -1.963 1.00 0.00 C ATOM 0 HA PRO A 731 8.068 7.676 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.037 7.421 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.693 7.223 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.640 5.121 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 731 6.815 5.161 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.150 3.724 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.468 4.208 -2.555 1.00 0.00 H new ATOM 159 N LEU A 732 6.221 6.256 0.966 1.00 0.00 N ATOM 160 CA LEU A 732 5.130 6.321 1.934 1.00 0.00 C ATOM 161 C LEU A 732 5.651 6.459 3.365 1.00 0.00 C ATOM 162 O LEU A 732 4.867 6.571 4.306 1.00 0.00 O ATOM 163 CB LEU A 732 4.254 5.073 1.823 1.00 0.00 C ATOM 164 CG LEU A 732 3.644 4.834 0.439 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.955 3.428 -0.048 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.141 5.070 0.471 1.00 0.00 C ATOM 0 H LEU A 732 6.965 5.603 1.211 1.00 0.00 H new ATOM 0 HA LEU A 732 4.538 7.207 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.851 4.203 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.447 5.148 2.552 1.00 0.00 H new ATOM 0 HG LEU A 732 4.088 5.543 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.513 3.278 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 732 5.035 3.295 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.540 2.701 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.724 4.896 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.680 4.386 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 732 1.940 6.098 0.773 1.00 0.00 H new ATOM 178 N CYS A 733 6.971 6.442 3.528 1.00 0.00 N ATOM 179 CA CYS A 733 7.575 6.559 4.847 1.00 0.00 C ATOM 180 C CYS A 733 8.963 7.185 4.755 1.00 0.00 C ATOM 181 O CYS A 733 9.357 7.695 3.705 1.00 0.00 O ATOM 182 CB CYS A 733 7.664 5.181 5.501 1.00 0.00 C ATOM 183 SG CYS A 733 8.725 4.018 4.613 1.00 0.00 S ATOM 0 H CYS A 733 7.640 6.348 2.763 1.00 0.00 H new ATOM 0 HA CYS A 733 6.947 7.208 5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.038 5.296 6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.662 4.759 5.576 1.00 0.00 H new ATOM 0 HG CYS A 733 9.255 3.183 5.457 1.00 0.00 H new ATOM 188 N GLU A 734 9.703 7.145 5.859 1.00 0.00 N ATOM 189 CA GLU A 734 11.049 7.706 5.899 1.00 0.00 C ATOM 190 C GLU A 734 12.065 6.651 6.325 1.00 0.00 C ATOM 191 O GLU A 734 12.945 6.915 7.146 1.00 0.00 O ATOM 192 CB GLU A 734 11.097 8.897 6.859 1.00 0.00 C ATOM 193 CG GLU A 734 9.929 9.858 6.696 1.00 0.00 C ATOM 194 CD GLU A 734 9.896 10.925 7.773 1.00 0.00 C ATOM 195 OE1 GLU A 734 10.977 11.278 8.292 1.00 0.00 O ATOM 196 OE2 GLU A 734 8.792 11.407 8.097 1.00 0.00 O ATOM 0 H GLU A 734 9.393 6.730 6.738 1.00 0.00 H new ATOM 0 HA GLU A 734 11.306 8.046 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.111 8.526 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.029 9.441 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 734 9.990 10.336 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 734 8.995 9.296 6.718 1.00 0.00 H new ATOM 203 N LEU A 735 11.938 5.453 5.763 1.00 0.00 N ATOM 204 CA LEU A 735 12.845 4.356 6.083 1.00 0.00 C ATOM 205 C LEU A 735 13.797 4.075 4.924 1.00 0.00 C ATOM 206 O LEU A 735 13.423 4.199 3.757 1.00 0.00 O ATOM 207 CB LEU A 735 12.052 3.091 6.422 1.00 0.00 C ATOM 208 CG LEU A 735 12.636 2.245 7.555 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.001 2.622 8.884 1.00 0.00 C ATOM 210 CD2 LEU A 735 12.439 0.763 7.269 1.00 0.00 C ATOM 0 H LEU A 735 11.215 5.217 5.083 1.00 0.00 H new ATOM 0 HA LEU A 735 13.435 4.652 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 735 11.036 3.379 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.982 2.473 5.527 1.00 0.00 H new ATOM 0 HG LEU A 735 13.706 2.444 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.429 2.010 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.193 3.674 9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 735 10.925 2.452 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.860 0.176 8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 735 11.374 0.548 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 735 12.941 0.502 6.337 1.00 0.00 H new ATOM 222 N MET A 736 15.025 3.692 5.256 1.00 0.00 N ATOM 223 CA MET A 736 16.030 3.386 4.244 1.00 0.00 C ATOM 224 C MET A 736 16.287 1.885 4.179 1.00 0.00 C ATOM 225 O MET A 736 16.473 1.233 5.208 1.00 0.00 O ATOM 226 CB MET A 736 17.333 4.128 4.548 1.00 0.00 C ATOM 227 CG MET A 736 17.227 5.636 4.393 1.00 0.00 C ATOM 228 SD MET A 736 18.829 6.423 4.140 1.00 0.00 S ATOM 229 CE MET A 736 18.646 7.034 2.466 1.00 0.00 C ATOM 0 H MET A 736 15.349 3.586 6.217 1.00 0.00 H new ATOM 0 HA MET A 736 15.653 3.716 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.643 3.897 5.567 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.115 3.757 3.885 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.577 5.866 3.549 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.756 6.056 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.559 7.547 2.164 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.460 6.198 1.792 1.00 0.00 H new ATOM 0 HE3 MET A 736 17.807 7.729 2.422 1.00 0.00 H new ATOM 239 N PHE A 737 16.294 1.339 2.968 1.00 0.00 N ATOM 240 CA PHE A 737 16.526 -0.088 2.776 1.00 0.00 C ATOM 241 C PHE A 737 17.885 -0.339 2.124 1.00 0.00 C ATOM 242 O PHE A 737 18.273 0.365 1.191 1.00 0.00 O ATOM 243 CB PHE A 737 15.411 -0.695 1.922 1.00 0.00 C ATOM 244 CG PHE A 737 14.068 -0.704 2.601 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.959 -0.999 3.952 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.915 -0.418 1.887 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.727 -1.007 4.577 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.680 -0.427 2.508 1.00 0.00 C ATOM 249 CZ PHE A 737 11.586 -0.721 3.854 1.00 0.00 C ATOM 0 H PHE A 737 16.142 1.862 2.106 1.00 0.00 H new ATOM 0 HA PHE A 737 16.524 -0.567 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.334 -0.136 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.682 -1.717 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.848 -1.225 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 737 12.982 -0.186 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.656 -1.237 5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.789 -0.204 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.622 -0.727 4.340 1.00 0.00 H new ATOM 259 N PRO A 738 18.629 -1.351 2.607 1.00 0.00 N ATOM 260 CA PRO A 738 19.951 -1.693 2.067 1.00 0.00 C ATOM 261 C PRO A 738 19.888 -2.131 0.606 1.00 0.00 C ATOM 262 O PRO A 738 18.850 -2.591 0.131 1.00 0.00 O ATOM 263 CB PRO A 738 20.419 -2.854 2.952 1.00 0.00 C ATOM 264 CG PRO A 738 19.175 -3.408 3.555 1.00 0.00 C ATOM 265 CD PRO A 738 18.244 -2.242 3.716 1.00 0.00 C ATOM 0 HA PRO A 738 20.624 -0.835 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.944 -3.609 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 738 21.110 -2.510 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.737 -4.173 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.382 -3.878 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.200 -2.547 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.369 -1.757 4.684 1.00 0.00 H new ATOM 273 N PRO A 739 21.007 -1.995 -0.128 1.00 0.00 N ATOM 274 CA PRO A 739 21.078 -2.380 -1.543 1.00 0.00 C ATOM 275 C PRO A 739 20.768 -3.859 -1.755 1.00 0.00 C ATOM 276 O PRO A 739 20.350 -4.265 -2.839 1.00 0.00 O ATOM 277 CB PRO A 739 22.530 -2.076 -1.934 1.00 0.00 C ATOM 278 CG PRO A 739 23.272 -1.983 -0.644 1.00 0.00 C ATOM 279 CD PRO A 739 22.287 -1.461 0.360 1.00 0.00 C ATOM 0 HA PRO A 739 20.345 -1.843 -2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.940 -2.862 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.600 -1.145 -2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.657 -2.958 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.129 -1.316 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.513 -1.811 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.284 -0.372 0.394 1.00 0.00 H new ATOM 287 N ASN A 740 20.973 -4.659 -0.712 1.00 0.00 N ATOM 288 CA ASN A 740 20.711 -6.092 -0.787 1.00 0.00 C ATOM 289 C ASN A 740 19.277 -6.417 -0.367 1.00 0.00 C ATOM 290 O ASN A 740 18.938 -7.577 -0.135 1.00 0.00 O ATOM 291 CB ASN A 740 21.696 -6.857 0.099 1.00 0.00 C ATOM 292 CG ASN A 740 23.139 -6.622 -0.304 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.443 -6.435 -1.482 1.00 0.00 O ATOM 294 ND2 ASN A 740 24.037 -6.633 0.675 1.00 0.00 N ATOM 0 H ASN A 740 21.319 -4.340 0.193 1.00 0.00 H new ATOM 0 HA ASN A 740 20.842 -6.401 -1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.558 -6.554 1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.476 -7.923 0.046 1.00 0.00 H new ATOM 0 HD21 ASN A 740 25.023 -6.482 0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.740 -6.792 1.638 1.00 0.00 H new ATOM 301 N TYR A 741 18.439 -5.388 -0.271 1.00 0.00 N ATOM 302 CA TYR A 741 17.046 -5.569 0.120 1.00 0.00 C ATOM 303 C TYR A 741 16.233 -6.164 -1.024 1.00 0.00 C ATOM 304 O TYR A 741 16.320 -5.707 -2.164 1.00 0.00 O ATOM 305 CB TYR A 741 16.442 -4.230 0.548 1.00 0.00 C ATOM 306 CG TYR A 741 15.101 -4.358 1.234 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.922 -4.392 0.500 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.014 -4.442 2.619 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.695 -4.505 1.125 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.790 -4.556 3.250 1.00 0.00 C ATOM 311 CZ TYR A 741 12.634 -4.587 2.500 1.00 0.00 C ATOM 312 OH TYR A 741 11.414 -4.700 3.126 1.00 0.00 O ATOM 0 H TYR A 741 18.702 -4.420 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 741 17.015 -6.262 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.137 -3.727 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.331 -3.594 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.965 -4.329 -0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.917 -4.418 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.788 -4.529 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.739 -4.621 4.327 1.00 0.00 H new ATOM 0 HH TYR A 741 11.547 -4.748 4.096 1.00 0.00 H new ATOM 322 N ASP A 742 15.442 -7.186 -0.714 1.00 0.00 N ATOM 323 CA ASP A 742 14.614 -7.841 -1.718 1.00 0.00 C ATOM 324 C ASP A 742 13.508 -6.907 -2.199 1.00 0.00 C ATOM 325 O ASP A 742 12.755 -6.355 -1.397 1.00 0.00 O ATOM 326 CB ASP A 742 14.005 -9.123 -1.148 1.00 0.00 C ATOM 327 CG ASP A 742 14.851 -10.346 -1.447 1.00 0.00 C ATOM 328 OD1 ASP A 742 16.091 -10.252 -1.335 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.273 -11.398 -1.793 1.00 0.00 O ATOM 0 H ASP A 742 15.357 -7.578 0.224 1.00 0.00 H new ATOM 0 HA ASP A 742 15.246 -8.096 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.890 -9.019 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.007 -9.264 -1.563 1.00 0.00 H new ATOM 334 N GLN A 743 13.418 -6.733 -3.514 1.00 0.00 N ATOM 335 CA GLN A 743 12.406 -5.862 -4.102 1.00 0.00 C ATOM 336 C GLN A 743 11.004 -6.316 -3.712 1.00 0.00 C ATOM 337 O GLN A 743 10.141 -5.498 -3.400 1.00 0.00 O ATOM 338 CB GLN A 743 12.546 -5.836 -5.624 1.00 0.00 C ATOM 339 CG GLN A 743 12.687 -4.436 -6.199 1.00 0.00 C ATOM 340 CD GLN A 743 11.400 -3.637 -6.108 1.00 0.00 C ATOM 341 OE1 GLN A 743 10.598 -3.833 -5.196 1.00 0.00 O ATOM 342 NE2 GLN A 743 11.200 -2.730 -7.057 1.00 0.00 N ATOM 0 H GLN A 743 14.033 -7.183 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 743 12.560 -4.855 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.416 -6.427 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.674 -6.316 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.478 -3.907 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 743 12.995 -4.505 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.893 -2.602 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 743 10.353 -2.161 -7.049 1.00 0.00 H new ATOM 351 N SER A 744 10.786 -7.627 -3.728 1.00 0.00 N ATOM 352 CA SER A 744 9.488 -8.189 -3.369 1.00 0.00 C ATOM 353 C SER A 744 9.064 -7.698 -1.989 1.00 0.00 C ATOM 354 O SER A 744 7.910 -7.322 -1.775 1.00 0.00 O ATOM 355 CB SER A 744 9.545 -9.718 -3.387 1.00 0.00 C ATOM 356 OG SER A 744 10.464 -10.183 -4.360 1.00 0.00 O ATOM 0 H SER A 744 11.490 -8.319 -3.985 1.00 0.00 H new ATOM 0 HA SER A 744 8.753 -7.858 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 744 9.836 -10.086 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.554 -10.119 -3.597 1.00 0.00 H new ATOM 0 HG SER A 744 10.483 -11.163 -4.350 1.00 0.00 H new ATOM 362 N LYS A 745 10.017 -7.683 -1.064 1.00 0.00 N ATOM 363 CA LYS A 745 9.754 -7.216 0.288 1.00 0.00 C ATOM 364 C LYS A 745 9.434 -5.730 0.256 1.00 0.00 C ATOM 365 O LYS A 745 8.602 -5.242 1.021 1.00 0.00 O ATOM 366 CB LYS A 745 10.962 -7.478 1.191 1.00 0.00 C ATOM 367 CG LYS A 745 10.837 -8.746 2.021 1.00 0.00 C ATOM 368 CD LYS A 745 11.768 -8.720 3.223 1.00 0.00 C ATOM 369 CE LYS A 745 12.365 -10.091 3.495 1.00 0.00 C ATOM 370 NZ LYS A 745 13.789 -10.003 3.920 1.00 0.00 N ATOM 0 H LYS A 745 10.976 -7.989 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 745 8.901 -7.761 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.859 -7.544 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.097 -6.628 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.807 -8.860 2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.067 -9.612 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.569 -8.001 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 745 11.220 -8.380 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.785 -10.592 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 745 12.292 -10.703 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 14.159 -10.959 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 14.348 -9.548 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 13.857 -9.440 4.792 1.00 0.00 H new ATOM 384 N PHE A 746 10.101 -5.021 -0.647 1.00 0.00 N ATOM 385 CA PHE A 746 9.891 -3.592 -0.801 1.00 0.00 C ATOM 386 C PHE A 746 8.496 -3.329 -1.346 1.00 0.00 C ATOM 387 O PHE A 746 7.813 -2.406 -0.911 1.00 0.00 O ATOM 388 CB PHE A 746 10.944 -2.995 -1.734 1.00 0.00 C ATOM 389 CG PHE A 746 10.865 -1.498 -1.840 1.00 0.00 C ATOM 390 CD1 PHE A 746 10.964 -0.706 -0.708 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.690 -0.883 -3.070 1.00 0.00 C ATOM 392 CE1 PHE A 746 10.890 0.671 -0.798 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.615 0.494 -3.167 1.00 0.00 C ATOM 394 CZ PHE A 746 10.715 1.272 -2.029 1.00 0.00 C ATOM 0 H PHE A 746 10.793 -5.416 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 746 9.986 -3.117 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.935 -3.275 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.827 -3.429 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.101 -1.171 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.611 -1.486 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 746 10.969 1.276 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.478 0.961 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.656 2.348 -2.102 1.00 0.00 H new ATOM 404 N GLU A 747 8.072 -4.161 -2.292 1.00 0.00 N ATOM 405 CA GLU A 747 6.747 -4.029 -2.879 1.00 0.00 C ATOM 406 C GLU A 747 5.685 -4.209 -1.803 1.00 0.00 C ATOM 407 O GLU A 747 4.687 -3.491 -1.769 1.00 0.00 O ATOM 408 CB GLU A 747 6.550 -5.059 -3.993 1.00 0.00 C ATOM 409 CG GLU A 747 7.038 -4.586 -5.353 1.00 0.00 C ATOM 410 CD GLU A 747 6.032 -4.847 -6.458 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.902 -4.324 -6.367 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.376 -5.573 -7.414 1.00 0.00 O ATOM 0 H GLU A 747 8.626 -4.931 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 747 6.652 -3.033 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.076 -5.975 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.491 -5.308 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.252 -3.518 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.975 -5.089 -5.594 1.00 0.00 H new ATOM 419 N GLU A 748 5.921 -5.173 -0.919 1.00 0.00 N ATOM 420 CA GLU A 748 4.998 -5.456 0.174 1.00 0.00 C ATOM 421 C GLU A 748 4.997 -4.317 1.189 1.00 0.00 C ATOM 422 O GLU A 748 3.946 -3.919 1.691 1.00 0.00 O ATOM 423 CB GLU A 748 5.380 -6.766 0.862 1.00 0.00 C ATOM 424 CG GLU A 748 4.574 -7.963 0.384 1.00 0.00 C ATOM 425 CD GLU A 748 4.100 -8.841 1.524 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.691 -8.290 2.568 1.00 0.00 O ATOM 427 OE2 GLU A 748 4.136 -10.081 1.374 1.00 0.00 O ATOM 0 H GLU A 748 6.746 -5.773 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 748 3.995 -5.551 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.439 -6.960 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.245 -6.654 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.711 -7.612 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.183 -8.557 -0.298 1.00 0.00 H new ATOM 434 N HIS A 749 6.183 -3.795 1.480 1.00 0.00 N ATOM 435 CA HIS A 749 6.324 -2.697 2.429 1.00 0.00 C ATOM 436 C HIS A 749 5.656 -1.444 1.877 1.00 0.00 C ATOM 437 O HIS A 749 4.867 -0.792 2.559 1.00 0.00 O ATOM 438 CB HIS A 749 7.811 -2.451 2.717 1.00 0.00 C ATOM 439 CG HIS A 749 8.143 -1.050 3.133 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.286 -0.652 4.443 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.380 0.052 2.378 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.598 0.651 4.442 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.668 1.124 3.215 1.00 0.00 N ATOM 0 H HIS A 749 7.061 -4.115 1.072 1.00 0.00 H new ATOM 0 HA HIS A 749 5.832 -2.958 3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.133 -3.135 3.502 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.386 -2.697 1.824 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.174 -1.243 5.267 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.350 0.090 1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.770 1.238 5.332 1.00 0.00 H new ATOM 451 N VAL A 750 5.966 -1.130 0.627 1.00 0.00 N ATOM 452 CA VAL A 750 5.388 0.027 -0.038 1.00 0.00 C ATOM 453 C VAL A 750 3.870 -0.101 -0.092 1.00 0.00 C ATOM 454 O VAL A 750 3.142 0.836 0.236 1.00 0.00 O ATOM 455 CB VAL A 750 5.938 0.169 -1.471 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.321 1.366 -2.183 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.454 0.278 -1.452 1.00 0.00 C ATOM 0 H VAL A 750 6.618 -1.664 0.052 1.00 0.00 H new ATOM 0 HA VAL A 750 5.660 0.914 0.534 1.00 0.00 H new ATOM 0 HB VAL A 750 5.662 -0.727 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.729 1.440 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.240 1.239 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.552 2.277 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.824 0.378 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.749 1.153 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.878 -0.618 -0.998 1.00 0.00 H new ATOM 467 N GLU A 751 3.400 -1.277 -0.501 1.00 0.00 N ATOM 468 CA GLU A 751 1.970 -1.540 -0.591 1.00 0.00 C ATOM 469 C GLU A 751 1.334 -1.541 0.796 1.00 0.00 C ATOM 470 O GLU A 751 0.149 -1.253 0.945 1.00 0.00 O ATOM 471 CB GLU A 751 1.718 -2.880 -1.284 1.00 0.00 C ATOM 472 CG GLU A 751 2.195 -2.917 -2.727 1.00 0.00 C ATOM 473 CD GLU A 751 2.500 -4.325 -3.203 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.719 -5.207 -2.347 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.520 -4.544 -4.433 1.00 0.00 O ATOM 0 H GLU A 751 3.991 -2.062 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 751 1.514 -0.746 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.219 -3.669 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.650 -3.099 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.432 -2.477 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.089 -2.302 -2.826 1.00 0.00 H new ATOM 482 N SER A 752 2.132 -1.862 1.810 1.00 0.00 N ATOM 483 CA SER A 752 1.642 -1.889 3.183 1.00 0.00 C ATOM 484 C SER A 752 1.064 -0.531 3.564 1.00 0.00 C ATOM 485 O SER A 752 0.051 -0.445 4.257 1.00 0.00 O ATOM 486 CB SER A 752 2.768 -2.269 4.146 1.00 0.00 C ATOM 487 OG SER A 752 2.284 -3.074 5.206 1.00 0.00 O ATOM 0 H SER A 752 3.117 -2.106 1.707 1.00 0.00 H new ATOM 0 HA SER A 752 0.855 -2.640 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.548 -2.805 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.225 -1.366 4.551 1.00 0.00 H new ATOM 0 HG SER A 752 3.024 -3.304 5.806 1.00 0.00 H new ATOM 493 N HIS A 753 1.716 0.528 3.095 1.00 0.00 N ATOM 494 CA HIS A 753 1.268 1.889 3.377 1.00 0.00 C ATOM 495 C HIS A 753 0.014 2.228 2.575 1.00 0.00 C ATOM 496 O HIS A 753 -0.763 3.101 2.962 1.00 0.00 O ATOM 497 CB HIS A 753 2.373 2.893 3.041 1.00 0.00 C ATOM 498 CG HIS A 753 3.691 2.570 3.670 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.035 2.923 4.955 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.765 1.912 3.161 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.278 2.484 5.184 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.766 1.861 4.128 1.00 0.00 N ATOM 0 H HIS A 753 2.556 0.471 2.518 1.00 0.00 H new ATOM 0 HA HIS A 753 1.033 1.950 4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.497 2.934 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.060 3.886 3.364 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.446 3.430 5.616 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.832 1.496 2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.812 2.622 6.112 1.00 0.00 H new ATOM 510 N TRP A 754 -0.176 1.535 1.457 1.00 0.00 N ATOM 511 CA TRP A 754 -1.334 1.765 0.600 1.00 0.00 C ATOM 512 C TRP A 754 -2.622 1.324 1.284 1.00 0.00 C ATOM 513 O TRP A 754 -2.601 0.506 2.205 1.00 0.00 O ATOM 514 CB TRP A 754 -1.174 1.015 -0.722 1.00 0.00 C ATOM 515 CG TRP A 754 -0.223 1.673 -1.672 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.869 2.424 -1.351 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.280 1.639 -3.101 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.491 2.863 -2.496 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.805 2.394 -3.582 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.147 1.044 -4.019 1.00 0.00 C ATOM 521 CZ2 TRP A 754 1.046 2.569 -4.941 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.907 1.216 -5.370 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.182 1.974 -5.820 1.00 0.00 C ATOM 0 H TRP A 754 0.458 0.809 1.123 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.395 2.836 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.827 0.003 -0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.149 0.926 -1.200 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.197 2.642 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.328 3.444 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -1.990 0.460 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.885 3.153 -5.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.570 0.759 -6.090 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.343 2.091 -6.882 1.00 0.00 H new ATOM 534 N LYS A 755 -3.744 1.858 0.815 1.00 0.00 N ATOM 535 CA LYS A 755 -5.048 1.507 1.367 1.00 0.00 C ATOM 536 C LYS A 755 -5.569 0.252 0.687 1.00 0.00 C ATOM 537 O LYS A 755 -5.806 0.251 -0.517 1.00 0.00 O ATOM 538 CB LYS A 755 -6.035 2.660 1.173 1.00 0.00 C ATOM 539 CG LYS A 755 -5.949 3.724 2.255 1.00 0.00 C ATOM 540 CD LYS A 755 -6.041 5.125 1.669 1.00 0.00 C ATOM 541 CE LYS A 755 -6.785 6.069 2.598 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.944 6.492 3.752 1.00 0.00 N ATOM 0 H LYS A 755 -3.777 2.536 0.054 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.942 1.318 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.853 3.124 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.048 2.259 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.753 3.577 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.010 3.617 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.038 5.510 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.549 5.085 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.105 6.949 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.687 5.580 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.489 7.135 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.659 5.655 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.096 6.982 3.402 1.00 0.00 H new ATOM 556 N VAL A 756 -5.722 -0.825 1.446 1.00 0.00 N ATOM 557 CA VAL A 756 -6.189 -2.081 0.876 1.00 0.00 C ATOM 558 C VAL A 756 -7.458 -2.589 1.543 1.00 0.00 C ATOM 559 O VAL A 756 -7.571 -2.614 2.768 1.00 0.00 O ATOM 560 CB VAL A 756 -5.107 -3.170 0.967 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.546 -4.436 0.245 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.800 -2.652 0.397 1.00 0.00 C ATOM 0 H VAL A 756 -5.532 -0.855 2.448 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.412 -1.870 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.956 -3.422 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.763 -5.190 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.462 -4.815 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.728 -4.211 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.039 -3.430 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.943 -2.375 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.477 -1.778 0.963 1.00 0.00 H new ATOM 572 N CYS A 757 -8.402 -3.013 0.712 1.00 0.00 N ATOM 573 CA CYS A 757 -9.667 -3.551 1.190 1.00 0.00 C ATOM 574 C CYS A 757 -9.465 -4.979 1.700 1.00 0.00 C ATOM 575 O CYS A 757 -8.848 -5.803 1.024 1.00 0.00 O ATOM 576 CB CYS A 757 -10.703 -3.526 0.065 1.00 0.00 C ATOM 577 SG CYS A 757 -12.356 -4.066 0.565 1.00 0.00 S ATOM 0 H CYS A 757 -8.313 -2.994 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.031 -2.935 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.769 -2.512 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.355 -4.164 -0.748 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.620 -5.216 0.019 1.00 0.00 H new ATOM 582 N PRO A 758 -9.960 -5.290 2.911 1.00 0.00 N ATOM 583 CA PRO A 758 -9.804 -6.615 3.510 1.00 0.00 C ATOM 584 C PRO A 758 -10.883 -7.608 3.086 1.00 0.00 C ATOM 585 O PRO A 758 -10.789 -8.797 3.389 1.00 0.00 O ATOM 586 CB PRO A 758 -9.919 -6.314 5.001 1.00 0.00 C ATOM 587 CG PRO A 758 -10.868 -5.164 5.078 1.00 0.00 C ATOM 588 CD PRO A 758 -10.690 -4.370 3.806 1.00 0.00 C ATOM 0 HA PRO A 758 -8.871 -7.090 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.295 -7.176 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.950 -6.059 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.895 -5.516 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.659 -4.547 5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.650 -4.077 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.127 -3.454 3.983 1.00 0.00 H new ATOM 596 N MET A 759 -11.911 -7.124 2.397 1.00 0.00 N ATOM 597 CA MET A 759 -12.998 -7.994 1.960 1.00 0.00 C ATOM 598 C MET A 759 -12.697 -8.639 0.609 1.00 0.00 C ATOM 599 O MET A 759 -13.199 -9.721 0.306 1.00 0.00 O ATOM 600 CB MET A 759 -14.306 -7.207 1.893 1.00 0.00 C ATOM 601 CG MET A 759 -14.789 -6.728 3.253 1.00 0.00 C ATOM 602 SD MET A 759 -14.993 -8.076 4.434 1.00 0.00 S ATOM 603 CE MET A 759 -14.861 -7.187 5.983 1.00 0.00 C ATOM 0 H MET A 759 -12.015 -6.145 2.131 1.00 0.00 H new ATOM 0 HA MET A 759 -13.098 -8.795 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.171 -6.346 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.076 -7.833 1.441 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.078 -6.005 3.653 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.739 -6.208 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.629 -7.887 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.068 -6.443 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.806 -6.689 6.198 1.00 0.00 H new ATOM 613 N CYS A 760 -11.873 -7.978 -0.198 1.00 0.00 N ATOM 614 CA CYS A 760 -11.513 -8.508 -1.513 1.00 0.00 C ATOM 615 C CYS A 760 -9.998 -8.505 -1.728 1.00 0.00 C ATOM 616 O CYS A 760 -9.485 -9.250 -2.563 1.00 0.00 O ATOM 617 CB CYS A 760 -12.199 -7.707 -2.619 1.00 0.00 C ATOM 618 SG CYS A 760 -11.566 -6.028 -2.813 1.00 0.00 S ATOM 0 H CYS A 760 -11.444 -7.081 0.031 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.856 -9.542 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.083 -8.239 -3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.267 -7.659 -2.409 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.465 -5.177 -2.417 1.00 0.00 H new ATOM 623 N SER A 761 -9.288 -7.664 -0.973 1.00 0.00 N ATOM 624 CA SER A 761 -7.831 -7.560 -1.073 1.00 0.00 C ATOM 625 C SER A 761 -7.411 -6.633 -2.213 1.00 0.00 C ATOM 626 O SER A 761 -6.391 -6.859 -2.862 1.00 0.00 O ATOM 627 CB SER A 761 -7.192 -8.941 -1.262 1.00 0.00 C ATOM 628 OG SER A 761 -5.879 -8.972 -0.731 1.00 0.00 O ATOM 0 H SER A 761 -9.703 -7.041 -0.280 1.00 0.00 H new ATOM 0 HA SER A 761 -7.476 -7.133 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.804 -9.698 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.165 -9.191 -2.323 1.00 0.00 H new ATOM 0 HG SER A 761 -5.494 -9.864 -0.863 1.00 0.00 H new ATOM 634 N GLU A 762 -8.193 -5.581 -2.440 1.00 0.00 N ATOM 635 CA GLU A 762 -7.884 -4.614 -3.490 1.00 0.00 C ATOM 636 C GLU A 762 -6.874 -3.599 -2.985 1.00 0.00 C ATOM 637 O GLU A 762 -6.889 -3.235 -1.811 1.00 0.00 O ATOM 638 CB GLU A 762 -9.155 -3.894 -3.952 1.00 0.00 C ATOM 639 CG GLU A 762 -9.699 -4.413 -5.273 1.00 0.00 C ATOM 640 CD GLU A 762 -9.767 -3.338 -6.340 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.750 -2.641 -6.546 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.835 -3.195 -6.971 1.00 0.00 O ATOM 0 H GLU A 762 -9.042 -5.377 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.459 -5.152 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.922 -4.000 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.945 -2.829 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.069 -5.230 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.695 -4.825 -5.114 1.00 0.00 H new ATOM 649 N GLN A 763 -5.995 -3.137 -3.868 1.00 0.00 N ATOM 650 CA GLN A 763 -4.994 -2.160 -3.469 1.00 0.00 C ATOM 651 C GLN A 763 -5.339 -0.777 -4.003 1.00 0.00 C ATOM 652 O GLN A 763 -5.628 -0.602 -5.187 1.00 0.00 O ATOM 653 CB GLN A 763 -3.612 -2.582 -3.975 1.00 0.00 C ATOM 654 CG GLN A 763 -2.765 -3.279 -2.924 1.00 0.00 C ATOM 655 CD GLN A 763 -1.301 -2.894 -3.005 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.451 -3.711 -3.356 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.999 -1.642 -2.678 1.00 0.00 N ATOM 0 H GLN A 763 -5.956 -3.418 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.980 -2.116 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.735 -3.247 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.080 -1.700 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.147 -3.033 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.860 -4.358 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.736 -0.998 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.030 -1.325 -2.713 1.00 0.00 H new ATOM 666 N PHE A 764 -5.288 0.201 -3.112 1.00 0.00 N ATOM 667 CA PHE A 764 -5.573 1.587 -3.458 1.00 0.00 C ATOM 668 C PHE A 764 -4.356 2.473 -3.193 1.00 0.00 C ATOM 669 O PHE A 764 -3.878 2.548 -2.057 1.00 0.00 O ATOM 670 CB PHE A 764 -6.779 2.094 -2.665 1.00 0.00 C ATOM 671 CG PHE A 764 -8.041 1.326 -2.941 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.329 0.164 -2.241 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.937 1.764 -3.903 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.486 -0.546 -2.495 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.098 1.057 -4.159 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.371 -0.099 -3.454 1.00 0.00 C ATOM 0 H PHE A 764 -5.049 0.058 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.806 1.633 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.554 2.038 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -6.943 3.145 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.640 -0.190 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.727 2.666 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.698 -1.450 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.790 1.409 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.277 -0.652 -3.653 1.00 0.00 H new ATOM 686 N PRO A 765 -3.835 3.164 -4.222 1.00 0.00 N ATOM 687 CA PRO A 765 -2.672 4.043 -4.063 1.00 0.00 C ATOM 688 C PRO A 765 -2.925 5.142 -3.034 1.00 0.00 C ATOM 689 O PRO A 765 -4.073 5.478 -2.743 1.00 0.00 O ATOM 690 CB PRO A 765 -2.481 4.651 -5.456 1.00 0.00 C ATOM 691 CG PRO A 765 -3.161 3.703 -6.381 1.00 0.00 C ATOM 692 CD PRO A 765 -4.326 3.148 -5.611 1.00 0.00 C ATOM 0 HA PRO A 765 -1.798 3.501 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.920 5.647 -5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.424 4.754 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.496 4.211 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.484 2.908 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.219 3.761 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.584 2.141 -5.938 1.00 0.00 H new ATOM 700 N PRO A 766 -1.853 5.717 -2.464 1.00 0.00 N ATOM 701 CA PRO A 766 -1.967 6.779 -1.461 1.00 0.00 C ATOM 702 C PRO A 766 -2.657 8.023 -2.011 1.00 0.00 C ATOM 703 O PRO A 766 -3.238 8.806 -1.260 1.00 0.00 O ATOM 704 CB PRO A 766 -0.513 7.091 -1.089 1.00 0.00 C ATOM 705 CG PRO A 766 0.301 6.563 -2.221 1.00 0.00 C ATOM 706 CD PRO A 766 -0.451 5.377 -2.751 1.00 0.00 C ATOM 0 HA PRO A 766 -2.575 6.467 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.361 8.163 -0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.236 6.614 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.432 7.320 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.297 6.275 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.281 5.236 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.150 4.454 -2.255 1.00 0.00 H new ATOM 714 N ASP A 767 -2.595 8.197 -3.328 1.00 0.00 N ATOM 715 CA ASP A 767 -3.220 9.343 -3.977 1.00 0.00 C ATOM 716 C ASP A 767 -4.712 9.103 -4.197 1.00 0.00 C ATOM 717 O ASP A 767 -5.456 10.028 -4.525 1.00 0.00 O ATOM 718 CB ASP A 767 -2.536 9.632 -5.315 1.00 0.00 C ATOM 719 CG ASP A 767 -1.138 10.193 -5.141 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.931 10.993 -4.204 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.250 9.832 -5.942 1.00 0.00 O ATOM 0 H ASP A 767 -2.118 7.559 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.104 10.206 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.486 8.714 -5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.140 10.339 -5.883 1.00 0.00 H new ATOM 726 N TYR A 768 -5.146 7.859 -4.013 1.00 0.00 N ATOM 727 CA TYR A 768 -6.549 7.505 -4.191 1.00 0.00 C ATOM 728 C TYR A 768 -7.426 8.241 -3.186 1.00 0.00 C ATOM 729 O TYR A 768 -6.999 8.530 -2.068 1.00 0.00 O ATOM 730 CB TYR A 768 -6.737 5.995 -4.035 1.00 0.00 C ATOM 731 CG TYR A 768 -7.793 5.417 -4.950 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.515 5.153 -6.285 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.069 5.137 -4.477 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.479 4.625 -7.124 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.038 4.608 -5.309 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.738 4.355 -6.631 1.00 0.00 C ATOM 737 OH TYR A 768 -10.700 3.829 -7.462 1.00 0.00 O ATOM 0 H TYR A 768 -4.546 7.080 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.849 7.802 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.787 5.497 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.005 5.776 -3.001 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.530 5.364 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.308 5.336 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.247 4.425 -8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.025 4.394 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.439 3.476 -6.924 1.00 0.00 H new ATOM 747 N ASP A 769 -8.657 8.540 -3.587 1.00 0.00 N ATOM 748 CA ASP A 769 -9.595 9.238 -2.717 1.00 0.00 C ATOM 749 C ASP A 769 -10.189 8.282 -1.690 1.00 0.00 C ATOM 750 O ASP A 769 -10.761 7.251 -2.045 1.00 0.00 O ATOM 751 CB ASP A 769 -10.712 9.878 -3.544 1.00 0.00 C ATOM 752 CG ASP A 769 -10.418 11.324 -3.893 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.306 12.149 -2.961 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.300 11.633 -5.097 1.00 0.00 O ATOM 0 H ASP A 769 -9.028 8.310 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.052 10.022 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.853 9.307 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.648 9.824 -2.988 1.00 0.00 H new ATOM 759 N GLN A 770 -10.050 8.628 -0.414 1.00 0.00 N ATOM 760 CA GLN A 770 -10.572 7.795 0.665 1.00 0.00 C ATOM 761 C GLN A 770 -12.066 7.547 0.487 1.00 0.00 C ATOM 762 O GLN A 770 -12.576 6.486 0.846 1.00 0.00 O ATOM 763 CB GLN A 770 -10.306 8.456 2.021 1.00 0.00 C ATOM 764 CG GLN A 770 -9.616 7.539 3.017 1.00 0.00 C ATOM 765 CD GLN A 770 -10.542 7.081 4.127 1.00 0.00 C ATOM 766 OE1 GLN A 770 -11.150 7.897 4.820 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.653 5.769 4.302 1.00 0.00 N ATOM 0 H GLN A 770 -9.581 9.478 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.059 6.834 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.691 9.343 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.252 8.793 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.225 6.667 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.762 8.058 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.130 5.129 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -11.261 5.402 5.034 1.00 0.00 H new ATOM 776 N GLN A 771 -12.763 8.530 -0.075 1.00 0.00 N ATOM 777 CA GLN A 771 -14.198 8.412 -0.304 1.00 0.00 C ATOM 778 C GLN A 771 -14.496 7.223 -1.210 1.00 0.00 C ATOM 779 O GLN A 771 -15.397 6.429 -0.937 1.00 0.00 O ATOM 780 CB GLN A 771 -14.746 9.696 -0.931 1.00 0.00 C ATOM 781 CG GLN A 771 -14.453 10.944 -0.114 1.00 0.00 C ATOM 782 CD GLN A 771 -15.648 11.398 0.702 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.771 10.944 0.486 1.00 0.00 O ATOM 784 NE2 GLN A 771 -15.410 12.301 1.647 1.00 0.00 N ATOM 0 H GLN A 771 -12.358 9.415 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.687 8.253 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.319 9.815 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.824 9.598 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -13.614 10.748 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -14.147 11.749 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -14.463 12.650 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.175 12.645 2.228 1.00 0.00 H new ATOM 793 N VAL A 772 -13.724 7.102 -2.286 1.00 0.00 N ATOM 794 CA VAL A 772 -13.897 6.005 -3.229 1.00 0.00 C ATOM 795 C VAL A 772 -13.528 4.677 -2.583 1.00 0.00 C ATOM 796 O VAL A 772 -14.200 3.666 -2.787 1.00 0.00 O ATOM 797 CB VAL A 772 -13.039 6.207 -4.492 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.379 5.163 -5.543 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.228 7.613 -5.046 1.00 0.00 C ATOM 0 H VAL A 772 -12.974 7.750 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.948 5.992 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 772 -11.991 6.085 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.762 5.323 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.188 4.168 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.431 5.249 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.614 7.738 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.276 7.765 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.929 8.343 -4.294 1.00 0.00 H new ATOM 809 N PHE A 773 -12.459 4.688 -1.796 1.00 0.00 N ATOM 810 CA PHE A 773 -12.007 3.483 -1.114 1.00 0.00 C ATOM 811 C PHE A 773 -13.031 3.039 -0.075 1.00 0.00 C ATOM 812 O PHE A 773 -13.442 1.880 -0.051 1.00 0.00 O ATOM 813 CB PHE A 773 -10.654 3.721 -0.438 1.00 0.00 C ATOM 814 CG PHE A 773 -10.239 2.597 0.468 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.280 1.283 0.028 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.820 2.854 1.763 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.909 0.247 0.864 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.449 1.822 2.603 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.494 0.517 2.154 1.00 0.00 C ATOM 0 H PHE A 773 -11.891 5.516 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.895 2.696 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.892 3.861 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.701 4.645 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.605 1.067 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.783 3.873 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.943 -0.773 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.124 2.036 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.205 -0.291 2.810 1.00 0.00 H new ATOM 829 N GLU A 774 -13.436 3.971 0.784 1.00 0.00 N ATOM 830 CA GLU A 774 -14.408 3.674 1.829 1.00 0.00 C ATOM 831 C GLU A 774 -15.677 3.080 1.230 1.00 0.00 C ATOM 832 O GLU A 774 -16.204 2.085 1.731 1.00 0.00 O ATOM 833 CB GLU A 774 -14.742 4.938 2.623 1.00 0.00 C ATOM 834 CG GLU A 774 -13.892 5.115 3.870 1.00 0.00 C ATOM 835 CD GLU A 774 -14.316 4.197 4.999 1.00 0.00 C ATOM 836 OE1 GLU A 774 -13.949 3.004 4.964 1.00 0.00 O ATOM 837 OE2 GLU A 774 -15.016 4.672 5.919 1.00 0.00 O ATOM 0 H GLU A 774 -13.106 4.936 0.776 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.968 2.941 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.612 5.807 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.793 4.909 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.848 4.924 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.956 6.150 4.205 1.00 0.00 H new ATOM 844 N ARG A 775 -16.160 3.685 0.150 1.00 0.00 N ATOM 845 CA ARG A 775 -17.360 3.198 -0.514 1.00 0.00 C ATOM 846 C ARG A 775 -17.128 1.784 -1.044 1.00 0.00 C ATOM 847 O ARG A 775 -18.007 0.925 -0.964 1.00 0.00 O ATOM 848 CB ARG A 775 -17.772 4.149 -1.650 1.00 0.00 C ATOM 849 CG ARG A 775 -17.380 3.676 -3.044 1.00 0.00 C ATOM 850 CD ARG A 775 -17.522 4.788 -4.071 1.00 0.00 C ATOM 851 NE ARG A 775 -17.182 4.334 -5.419 1.00 0.00 N ATOM 852 CZ ARG A 775 -16.891 5.153 -6.426 1.00 0.00 C ATOM 853 NH1 ARG A 775 -16.897 6.468 -6.244 1.00 0.00 N ATOM 854 NH2 ARG A 775 -16.591 4.657 -7.618 1.00 0.00 N ATOM 0 H ARG A 775 -15.741 4.509 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.175 3.166 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.853 4.287 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.321 5.125 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.350 3.320 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.006 2.831 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.546 5.162 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -16.876 5.621 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 775 -17.167 3.330 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -17.126 6.855 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -16.673 7.091 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -16.583 3.647 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -16.368 5.285 -8.390 1.00 0.00 H new ATOM 868 N HIS A 776 -15.931 1.550 -1.576 1.00 0.00 N ATOM 869 CA HIS A 776 -15.578 0.242 -2.110 1.00 0.00 C ATOM 870 C HIS A 776 -15.565 -0.805 -1.002 1.00 0.00 C ATOM 871 O HIS A 776 -16.145 -1.879 -1.146 1.00 0.00 O ATOM 872 CB HIS A 776 -14.208 0.296 -2.795 1.00 0.00 C ATOM 873 CG HIS A 776 -13.538 -1.040 -2.901 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.589 -1.837 -4.020 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.797 -1.723 -1.989 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.895 -2.953 -3.760 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.393 -2.929 -2.543 1.00 0.00 N ATOM 0 H HIS A 776 -15.192 2.249 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.330 -0.039 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.327 0.714 -3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.560 0.975 -2.241 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.070 -1.618 -4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.560 -1.381 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.764 -3.767 -4.458 1.00 0.00 H new ATOM 885 N VAL A 777 -14.902 -0.487 0.104 1.00 0.00 N ATOM 886 CA VAL A 777 -14.831 -1.413 1.226 1.00 0.00 C ATOM 887 C VAL A 777 -16.209 -1.595 1.845 1.00 0.00 C ATOM 888 O VAL A 777 -16.538 -2.664 2.360 1.00 0.00 O ATOM 889 CB VAL A 777 -13.848 -0.949 2.321 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.286 -2.147 3.068 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.721 -0.113 1.737 1.00 0.00 C ATOM 0 H VAL A 777 -14.411 0.396 0.247 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.464 -2.358 0.826 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.400 -0.322 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.594 -1.804 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.101 -2.701 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.759 -2.797 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.047 0.197 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.170 -0.705 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.137 0.769 1.250 1.00 0.00 H new ATOM 901 N GLN A 778 -17.015 -0.539 1.783 1.00 0.00 N ATOM 902 CA GLN A 778 -18.365 -0.572 2.326 1.00 0.00 C ATOM 903 C GLN A 778 -19.251 -1.498 1.501 1.00 0.00 C ATOM 904 O GLN A 778 -20.151 -2.148 2.031 1.00 0.00 O ATOM 905 CB GLN A 778 -18.964 0.836 2.353 1.00 0.00 C ATOM 906 CG GLN A 778 -18.503 1.670 3.537 1.00 0.00 C ATOM 907 CD GLN A 778 -19.020 1.139 4.859 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.188 0.769 4.978 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.151 1.100 5.861 1.00 0.00 N ATOM 0 H GLN A 778 -16.754 0.352 1.360 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.314 -0.953 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.699 1.352 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -20.051 0.759 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.413 1.692 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.840 2.698 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.192 1.417 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.442 0.753 6.775 1.00 0.00 H new ATOM 918 N THR A 779 -18.985 -1.557 0.198 1.00 0.00 N ATOM 919 CA THR A 779 -19.758 -2.409 -0.697 1.00 0.00 C ATOM 920 C THR A 779 -19.664 -3.870 -0.267 1.00 0.00 C ATOM 921 O THR A 779 -20.557 -4.671 -0.545 1.00 0.00 O ATOM 922 CB THR A 779 -19.282 -2.241 -2.147 1.00 0.00 C ATOM 923 OG1 THR A 779 -20.330 -2.536 -3.053 1.00 0.00 O ATOM 924 CG2 THR A 779 -18.102 -3.119 -2.515 1.00 0.00 C ATOM 0 H THR A 779 -18.243 -1.027 -0.258 1.00 0.00 H new ATOM 0 HA THR A 779 -20.803 -2.104 -0.641 1.00 0.00 H new ATOM 0 HB THR A 779 -18.967 -1.200 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 779 -20.010 -2.422 -3.972 1.00 0.00 H new ATOM 0 HG21 THR A 779 -17.827 -2.941 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 779 -17.256 -2.881 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.374 -4.167 -2.386 1.00 0.00 H new ATOM 932 N HIS A 780 -18.574 -4.206 0.411 1.00 0.00 N ATOM 933 CA HIS A 780 -18.353 -5.566 0.881 1.00 0.00 C ATOM 934 C HIS A 780 -19.053 -5.804 2.217 1.00 0.00 C ATOM 935 O HIS A 780 -19.470 -6.922 2.518 1.00 0.00 O ATOM 936 CB HIS A 780 -16.856 -5.830 1.022 1.00 0.00 C ATOM 937 CG HIS A 780 -16.106 -5.728 -0.269 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.158 -6.680 -1.262 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.269 -4.757 -0.724 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.373 -6.270 -2.266 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.811 -5.109 -1.989 1.00 0.00 N ATOM 0 H HIS A 780 -17.828 -3.553 0.648 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.774 -6.254 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.436 -5.120 1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.709 -6.826 1.440 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.699 -7.545 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.003 -3.857 -0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.220 -6.819 -3.184 1.00 0.00 H new ATOM 949 N PHE A 781 -19.178 -4.747 3.015 1.00 0.00 N ATOM 950 CA PHE A 781 -19.827 -4.845 4.317 1.00 0.00 C ATOM 951 C PHE A 781 -21.335 -5.027 4.166 1.00 0.00 C ATOM 952 O PHE A 781 -21.996 -5.566 5.053 1.00 0.00 O ATOM 953 CB PHE A 781 -19.534 -3.595 5.154 1.00 0.00 C ATOM 954 CG PHE A 781 -18.069 -3.282 5.292 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.118 -4.290 5.259 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.647 -1.974 5.458 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.773 -3.997 5.387 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.304 -1.674 5.587 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.366 -2.688 5.551 1.00 0.00 C ATOM 0 H PHE A 781 -18.838 -3.814 2.782 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.424 -5.720 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.037 -2.741 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.962 -3.727 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.431 -5.316 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.376 -1.178 5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.042 -4.791 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.988 -0.649 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.316 -2.457 5.651 1.00 0.00 H new ATOM 969 N ASP A 782 -21.874 -4.572 3.037 1.00 0.00 N ATOM 970 CA ASP A 782 -23.304 -4.686 2.775 1.00 0.00 C ATOM 971 C ASP A 782 -23.617 -5.931 1.947 1.00 0.00 C ATOM 972 O ASP A 782 -24.636 -5.991 1.260 1.00 0.00 O ATOM 973 CB ASP A 782 -23.810 -3.438 2.047 1.00 0.00 C ATOM 974 CG ASP A 782 -25.314 -3.276 2.152 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.883 -3.675 3.189 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.922 -2.752 1.196 1.00 0.00 O ATOM 0 H ASP A 782 -21.342 -4.122 2.292 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.814 -4.776 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.323 -2.556 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.526 -3.494 0.996 1.00 0.00 H new