USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=20 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 -115:sc= -5.72! USER MOD Set 1.2: A 760 CYS SG : rot -111:sc= -1.28 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.07 K(o=-14,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.5 K(o=-14,f=-15!) USER MOD Set 2.1: A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 770 GLN : amide:sc= -3.09 K(o=-3.1,f=-4.8!) USER MOD Set 3.1: A 730 CYS SG : rot -144:sc= -3.04! USER MOD Set 3.2: A 733 CYS SG : rot 25:sc= -1.77 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -4.8! C(o=-11!,f=-18!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -1.36 K(o=-11,f=-14!) USER MOD Set 4.1: A 741 TYR OH : rot 0:sc= 0.387 USER MOD Set 4.2: A 745 LYS NZ :NH3+ 147:sc= 0.785 (180deg=0.125) USER MOD Set 5.1: A 729 LYS NZ :NH3+ 137:sc= -0.284 (180deg=-1.58!) USER MOD Set 5.2: A 736 MET CE :methyl -155:sc= -1.16 (180deg=-0.633) USER MOD Single : A 727 HIS : no HE2:sc= -2.88! K(o=-2.9!,f=-1.3) USER MOD Single : A 728 LYS NZ :NH3+ 151:sc= -0.0863 (180deg=-0.544) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 744 SER OG : rot 172:sc= -0.715 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 759 MET CE :methyl -116:sc= -2.22 (180deg=-6.46!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -5.56 K(o=-5.6,f=-13!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 771 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.12) USER MOD Single : A 778 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 779 THR OG1 : rot 41:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.906 2.369 -0.582 1.00 0.00 N ATOM 74 CA HIS A 727 19.729 1.984 0.189 1.00 0.00 C ATOM 75 C HIS A 727 18.448 2.449 -0.496 1.00 0.00 C ATOM 76 O HIS A 727 18.363 3.581 -0.972 1.00 0.00 O ATOM 77 CB HIS A 727 19.807 2.572 1.600 1.00 0.00 C ATOM 78 CG HIS A 727 20.707 1.805 2.518 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.249 2.344 3.666 1.00 0.00 N ATOM 80 CD2 HIS A 727 21.161 0.531 2.453 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.997 1.436 4.266 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.959 0.327 3.551 1.00 0.00 N ATOM 0 HA HIS A 727 19.709 0.896 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.158 3.602 1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.805 2.602 2.028 1.00 0.00 H new ATOM 0 HD1 HIS A 727 21.096 3.296 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.937 -0.190 1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.546 1.577 5.185 1.00 0.00 H new ATOM 91 N LYS A 728 17.454 1.568 -0.540 1.00 0.00 N ATOM 92 CA LYS A 728 16.176 1.889 -1.165 1.00 0.00 C ATOM 93 C LYS A 728 15.271 2.636 -0.190 1.00 0.00 C ATOM 94 O LYS A 728 14.984 2.149 0.904 1.00 0.00 O ATOM 95 CB LYS A 728 15.483 0.613 -1.648 1.00 0.00 C ATOM 96 CG LYS A 728 15.776 0.274 -3.100 1.00 0.00 C ATOM 97 CD LYS A 728 14.570 -0.355 -3.781 1.00 0.00 C ATOM 98 CE LYS A 728 13.908 0.614 -4.748 1.00 0.00 C ATOM 99 NZ LYS A 728 14.826 1.014 -5.851 1.00 0.00 N ATOM 0 H LYS A 728 17.509 0.627 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 728 16.370 2.533 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.795 -0.221 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.406 0.723 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 728 16.066 1.179 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.622 -0.411 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 728 14.880 -1.251 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.848 -0.669 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.014 0.153 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.583 1.502 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 14.270 1.238 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.370 1.852 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.479 0.232 -6.060 1.00 0.00 H new ATOM 113 N LYS A 729 14.826 3.821 -0.593 1.00 0.00 N ATOM 114 CA LYS A 729 13.956 4.635 0.247 1.00 0.00 C ATOM 115 C LYS A 729 12.548 4.708 -0.332 1.00 0.00 C ATOM 116 O LYS A 729 12.348 5.186 -1.449 1.00 0.00 O ATOM 117 CB LYS A 729 14.529 6.046 0.394 1.00 0.00 C ATOM 118 CG LYS A 729 15.563 6.171 1.501 1.00 0.00 C ATOM 119 CD LYS A 729 16.224 7.541 1.495 1.00 0.00 C ATOM 120 CE LYS A 729 15.693 8.422 2.614 1.00 0.00 C ATOM 121 NZ LYS A 729 16.431 8.206 3.889 1.00 0.00 N ATOM 0 H LYS A 729 15.053 4.239 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 729 13.902 4.165 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.983 6.345 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.713 6.742 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 729 15.086 6.000 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 729 16.323 5.399 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 729 17.303 7.426 1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 729 16.049 8.026 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 729 15.773 9.469 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.634 8.214 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 16.625 9.124 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.855 7.623 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 17.329 7.720 3.692 1.00 0.00 H new ATOM 135 N CYS A 730 11.573 4.235 0.437 1.00 0.00 N ATOM 136 CA CYS A 730 10.181 4.251 0.004 1.00 0.00 C ATOM 137 C CYS A 730 9.615 5.670 0.084 1.00 0.00 C ATOM 138 O CYS A 730 9.611 6.282 1.151 1.00 0.00 O ATOM 139 CB CYS A 730 9.352 3.290 0.860 1.00 0.00 C ATOM 140 SG CYS A 730 7.567 3.408 0.602 1.00 0.00 S ATOM 0 H CYS A 730 11.722 3.836 1.364 1.00 0.00 H new ATOM 0 HA CYS A 730 10.132 3.921 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.670 2.269 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.568 3.481 1.911 1.00 0.00 H new ATOM 0 HG CYS A 730 6.952 3.226 1.733 1.00 0.00 H new ATOM 145 N PRO A 731 9.141 6.219 -1.049 1.00 0.00 N ATOM 146 CA PRO A 731 8.589 7.579 -1.099 1.00 0.00 C ATOM 147 C PRO A 731 7.465 7.809 -0.092 1.00 0.00 C ATOM 148 O PRO A 731 7.249 8.933 0.361 1.00 0.00 O ATOM 149 CB PRO A 731 8.051 7.694 -2.529 1.00 0.00 C ATOM 150 CG PRO A 731 8.838 6.704 -3.313 1.00 0.00 C ATOM 151 CD PRO A 731 9.121 5.568 -2.373 1.00 0.00 C ATOM 0 HA PRO A 731 9.344 8.322 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.985 7.472 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.182 8.703 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 731 8.278 6.361 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.764 7.145 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.352 4.797 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 731 10.073 5.087 -2.599 1.00 0.00 H new ATOM 159 N LEU A 732 6.743 6.747 0.244 1.00 0.00 N ATOM 160 CA LEU A 732 5.631 6.847 1.186 1.00 0.00 C ATOM 161 C LEU A 732 6.117 7.069 2.616 1.00 0.00 C ATOM 162 O LEU A 732 5.363 7.550 3.463 1.00 0.00 O ATOM 163 CB LEU A 732 4.769 5.588 1.118 1.00 0.00 C ATOM 164 CG LEU A 732 4.014 5.403 -0.198 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.775 3.930 -0.481 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.700 6.166 -0.160 1.00 0.00 C ATOM 0 H LEU A 732 6.906 5.808 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 732 5.034 7.713 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.406 4.719 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 732 4.048 5.613 1.935 1.00 0.00 H new ATOM 0 HG LEU A 732 4.624 5.804 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.236 3.823 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.732 3.413 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.185 3.496 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 732 2.171 6.027 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 732 2.086 5.792 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.900 7.227 -0.009 1.00 0.00 H new ATOM 178 N CYS A 733 7.368 6.717 2.886 1.00 0.00 N ATOM 179 CA CYS A 733 7.929 6.883 4.221 1.00 0.00 C ATOM 180 C CYS A 733 9.381 7.348 4.153 1.00 0.00 C ATOM 181 O CYS A 733 9.867 7.743 3.094 1.00 0.00 O ATOM 182 CB CYS A 733 7.829 5.568 4.999 1.00 0.00 C ATOM 183 SG CYS A 733 8.827 4.227 4.312 1.00 0.00 S ATOM 0 H CYS A 733 8.010 6.317 2.202 1.00 0.00 H new ATOM 0 HA CYS A 733 7.354 7.650 4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.136 5.744 6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.786 5.253 5.027 1.00 0.00 H new ATOM 0 HG CYS A 733 9.818 4.727 3.635 1.00 0.00 H new ATOM 188 N GLU A 734 10.070 7.305 5.290 1.00 0.00 N ATOM 189 CA GLU A 734 11.464 7.727 5.355 1.00 0.00 C ATOM 190 C GLU A 734 12.344 6.615 5.918 1.00 0.00 C ATOM 191 O GLU A 734 13.184 6.853 6.787 1.00 0.00 O ATOM 192 CB GLU A 734 11.598 8.986 6.214 1.00 0.00 C ATOM 193 CG GLU A 734 10.666 10.111 5.791 1.00 0.00 C ATOM 194 CD GLU A 734 9.906 10.709 6.959 1.00 0.00 C ATOM 195 OE1 GLU A 734 9.108 9.978 7.584 1.00 0.00 O ATOM 196 OE2 GLU A 734 10.107 11.907 7.249 1.00 0.00 O ATOM 0 H GLU A 734 9.685 6.982 6.178 1.00 0.00 H new ATOM 0 HA GLU A 734 11.798 7.951 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.397 8.730 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.628 9.341 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 734 11.246 10.893 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.956 9.732 5.056 1.00 0.00 H new ATOM 203 N LEU A 735 12.146 5.400 5.417 1.00 0.00 N ATOM 204 CA LEU A 735 12.924 4.252 5.871 1.00 0.00 C ATOM 205 C LEU A 735 13.934 3.826 4.810 1.00 0.00 C ATOM 206 O LEU A 735 13.638 3.841 3.615 1.00 0.00 O ATOM 207 CB LEU A 735 11.996 3.080 6.208 1.00 0.00 C ATOM 208 CG LEU A 735 12.313 2.360 7.519 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.056 3.272 8.707 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.494 1.083 7.635 1.00 0.00 C ATOM 0 H LEU A 735 11.455 5.185 4.698 1.00 0.00 H new ATOM 0 HA LEU A 735 13.468 4.546 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.971 3.449 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.039 2.356 5.394 1.00 0.00 H new ATOM 0 HG LEU A 735 13.370 2.092 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.288 2.741 9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.687 4.157 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.008 3.573 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.731 0.582 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.432 1.328 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.731 0.422 6.801 1.00 0.00 H new ATOM 222 N MET A 736 15.126 3.443 5.255 1.00 0.00 N ATOM 223 CA MET A 736 16.177 3.009 4.343 1.00 0.00 C ATOM 224 C MET A 736 16.302 1.490 4.352 1.00 0.00 C ATOM 225 O MET A 736 16.346 0.867 5.413 1.00 0.00 O ATOM 226 CB MET A 736 17.513 3.649 4.727 1.00 0.00 C ATOM 227 CG MET A 736 17.784 4.963 4.015 1.00 0.00 C ATOM 228 SD MET A 736 19.515 5.460 4.110 1.00 0.00 S ATOM 229 CE MET A 736 19.597 6.656 2.779 1.00 0.00 C ATOM 0 H MET A 736 15.388 3.424 6.241 1.00 0.00 H new ATOM 0 HA MET A 736 15.910 3.329 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.529 3.819 5.804 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.319 2.950 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 736 17.493 4.872 2.969 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.161 5.744 4.452 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.622 6.724 2.414 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.942 6.341 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.277 7.631 3.146 1.00 0.00 H new ATOM 239 N PHE A 737 16.357 0.899 3.163 1.00 0.00 N ATOM 240 CA PHE A 737 16.474 -0.549 3.036 1.00 0.00 C ATOM 241 C PHE A 737 17.860 -0.944 2.529 1.00 0.00 C ATOM 242 O PHE A 737 18.455 -0.240 1.713 1.00 0.00 O ATOM 243 CB PHE A 737 15.389 -1.084 2.096 1.00 0.00 C ATOM 244 CG PHE A 737 13.998 -0.968 2.657 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.748 -1.256 3.990 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.941 -0.571 1.852 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.471 -1.151 4.509 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.661 -0.464 2.367 1.00 0.00 C ATOM 249 CZ PHE A 737 11.428 -0.754 3.697 1.00 0.00 C ATOM 0 H PHE A 737 16.322 1.400 2.275 1.00 0.00 H new ATOM 0 HA PHE A 737 16.337 -0.992 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.438 -0.542 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.596 -2.131 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.560 -1.566 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.119 -0.343 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.290 -1.379 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.846 -0.154 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.430 -0.670 4.101 1.00 0.00 H new ATOM 259 N PRO A 738 18.398 -2.079 3.014 1.00 0.00 N ATOM 260 CA PRO A 738 19.725 -2.564 2.611 1.00 0.00 C ATOM 261 C PRO A 738 19.796 -2.917 1.127 1.00 0.00 C ATOM 262 O PRO A 738 18.778 -3.213 0.501 1.00 0.00 O ATOM 263 CB PRO A 738 19.929 -3.818 3.468 1.00 0.00 C ATOM 264 CG PRO A 738 18.558 -4.240 3.868 1.00 0.00 C ATOM 265 CD PRO A 738 17.759 -2.975 3.993 1.00 0.00 C ATOM 0 HA PRO A 738 20.491 -1.803 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.435 -4.603 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.546 -3.603 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.121 -4.906 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.577 -4.785 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.706 -3.139 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.805 -2.567 5.003 1.00 0.00 H new ATOM 273 N PRO A 739 21.008 -2.894 0.545 1.00 0.00 N ATOM 274 CA PRO A 739 21.214 -3.217 -0.872 1.00 0.00 C ATOM 275 C PRO A 739 20.775 -4.637 -1.209 1.00 0.00 C ATOM 276 O PRO A 739 20.404 -4.929 -2.346 1.00 0.00 O ATOM 277 CB PRO A 739 22.727 -3.063 -1.068 1.00 0.00 C ATOM 278 CG PRO A 739 23.308 -3.136 0.302 1.00 0.00 C ATOM 279 CD PRO A 739 22.272 -2.558 1.221 1.00 0.00 C ATOM 0 HA PRO A 739 20.624 -2.571 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.124 -3.852 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.967 -2.114 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.540 -4.166 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.240 -2.574 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.326 -2.997 2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.393 -1.481 1.340 1.00 0.00 H new ATOM 287 N ASN A 740 20.811 -5.516 -0.211 1.00 0.00 N ATOM 288 CA ASN A 740 20.409 -6.905 -0.402 1.00 0.00 C ATOM 289 C ASN A 740 18.907 -7.079 -0.174 1.00 0.00 C ATOM 290 O ASN A 740 18.407 -8.202 -0.111 1.00 0.00 O ATOM 291 CB ASN A 740 21.188 -7.816 0.549 1.00 0.00 C ATOM 292 CG ASN A 740 21.343 -9.223 0.005 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.152 -9.469 -0.890 1.00 0.00 O ATOM 294 ND2 ASN A 740 20.565 -10.155 0.543 1.00 0.00 N ATOM 0 H ASN A 740 21.114 -5.291 0.737 1.00 0.00 H new ATOM 0 HA ASN A 740 20.635 -7.183 -1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.174 -7.389 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 740 20.676 -7.856 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 740 20.624 -11.119 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 740 19.908 -9.906 1.283 1.00 0.00 H new ATOM 301 N TYR A 741 18.193 -5.962 -0.055 1.00 0.00 N ATOM 302 CA TYR A 741 16.753 -5.992 0.163 1.00 0.00 C ATOM 303 C TYR A 741 16.018 -6.368 -1.119 1.00 0.00 C ATOM 304 O TYR A 741 16.197 -5.732 -2.157 1.00 0.00 O ATOM 305 CB TYR A 741 16.273 -4.627 0.660 1.00 0.00 C ATOM 306 CG TYR A 741 14.878 -4.641 1.240 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.767 -4.452 0.428 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.671 -4.837 2.600 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.490 -4.459 0.955 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.397 -4.847 3.133 1.00 0.00 C ATOM 311 CZ TYR A 741 12.311 -4.656 2.308 1.00 0.00 C ATOM 312 OH TYR A 741 11.040 -4.663 2.835 1.00 0.00 O ATOM 0 H TYR A 741 18.591 -5.024 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 741 16.534 -6.747 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 741 16.967 -4.263 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.304 -3.919 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.904 -4.297 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.520 -4.984 3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.636 -4.311 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.253 -5.004 4.192 1.00 0.00 H new ATOM 0 HH TYR A 741 10.388 -4.514 2.119 1.00 0.00 H new ATOM 322 N ASP A 742 15.191 -7.406 -1.040 1.00 0.00 N ATOM 323 CA ASP A 742 14.431 -7.865 -2.197 1.00 0.00 C ATOM 324 C ASP A 742 13.380 -6.837 -2.598 1.00 0.00 C ATOM 325 O ASP A 742 12.658 -6.309 -1.752 1.00 0.00 O ATOM 326 CB ASP A 742 13.760 -9.206 -1.893 1.00 0.00 C ATOM 327 CG ASP A 742 13.408 -9.975 -3.152 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.189 -9.330 -4.200 1.00 0.00 O ATOM 329 OD2 ASP A 742 13.353 -11.221 -3.091 1.00 0.00 O ATOM 0 H ASP A 742 15.030 -7.944 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 742 15.124 -7.994 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.425 -9.810 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.855 -9.033 -1.311 1.00 0.00 H new ATOM 334 N GLN A 743 13.299 -6.553 -3.894 1.00 0.00 N ATOM 335 CA GLN A 743 12.336 -5.585 -4.406 1.00 0.00 C ATOM 336 C GLN A 743 10.910 -6.000 -4.065 1.00 0.00 C ATOM 337 O GLN A 743 10.070 -5.160 -3.741 1.00 0.00 O ATOM 338 CB GLN A 743 12.485 -5.431 -5.918 1.00 0.00 C ATOM 339 CG GLN A 743 13.507 -4.381 -6.326 1.00 0.00 C ATOM 340 CD GLN A 743 12.907 -3.286 -7.186 1.00 0.00 C ATOM 341 OE1 GLN A 743 13.074 -3.276 -8.406 1.00 0.00 O ATOM 342 NE2 GLN A 743 12.204 -2.354 -6.552 1.00 0.00 N ATOM 0 H GLN A 743 13.889 -6.980 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 743 12.540 -4.626 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.773 -6.391 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.517 -5.169 -6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.943 -3.937 -5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 743 14.319 -4.862 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 743 12.091 -2.401 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 743 11.777 -1.591 -7.078 1.00 0.00 H new ATOM 351 N SER A 744 10.642 -7.300 -4.134 1.00 0.00 N ATOM 352 CA SER A 744 9.316 -7.823 -3.826 1.00 0.00 C ATOM 353 C SER A 744 8.877 -7.363 -2.441 1.00 0.00 C ATOM 354 O SER A 744 7.732 -6.955 -2.239 1.00 0.00 O ATOM 355 CB SER A 744 9.314 -9.351 -3.895 1.00 0.00 C ATOM 356 OG SER A 744 10.606 -9.875 -3.644 1.00 0.00 O ATOM 0 H SER A 744 11.325 -8.010 -4.400 1.00 0.00 H new ATOM 0 HA SER A 744 8.613 -7.439 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.609 -9.750 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.972 -9.673 -4.879 1.00 0.00 H new ATOM 0 HG SER A 744 10.554 -10.851 -3.570 1.00 0.00 H new ATOM 362 N LYS A 745 9.808 -7.411 -1.495 1.00 0.00 N ATOM 363 CA LYS A 745 9.531 -6.977 -0.136 1.00 0.00 C ATOM 364 C LYS A 745 9.271 -5.479 -0.127 1.00 0.00 C ATOM 365 O LYS A 745 8.438 -4.983 0.630 1.00 0.00 O ATOM 366 CB LYS A 745 10.702 -7.319 0.788 1.00 0.00 C ATOM 367 CG LYS A 745 10.479 -8.580 1.609 1.00 0.00 C ATOM 368 CD LYS A 745 9.655 -8.295 2.855 1.00 0.00 C ATOM 369 CE LYS A 745 10.528 -8.228 4.097 1.00 0.00 C ATOM 370 NZ LYS A 745 11.285 -6.948 4.177 1.00 0.00 N ATOM 0 H LYS A 745 10.759 -7.746 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 745 8.647 -7.499 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.604 -7.440 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.878 -6.482 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.972 -9.328 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.441 -9.003 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 745 9.122 -7.352 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 745 8.902 -9.073 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 745 9.905 -8.337 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.228 -9.064 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 11.399 -6.674 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 12.222 -7.071 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 10.763 -6.204 3.671 1.00 0.00 H new ATOM 384 N PHE A 746 9.988 -4.770 -0.991 1.00 0.00 N ATOM 385 CA PHE A 746 9.837 -3.330 -1.106 1.00 0.00 C ATOM 386 C PHE A 746 8.463 -2.999 -1.666 1.00 0.00 C ATOM 387 O PHE A 746 7.809 -2.059 -1.219 1.00 0.00 O ATOM 388 CB PHE A 746 10.928 -2.749 -2.005 1.00 0.00 C ATOM 389 CG PHE A 746 10.926 -1.246 -2.055 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.132 -0.503 -0.903 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.720 -0.578 -3.251 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.132 0.879 -0.944 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.717 0.804 -3.297 1.00 0.00 C ATOM 394 CZ PHE A 746 10.924 1.534 -2.141 1.00 0.00 C ATOM 0 H PHE A 746 10.681 -5.173 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 746 9.934 -2.886 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.900 -3.092 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.801 -3.139 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.294 -1.009 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.560 -1.143 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.295 1.446 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.553 1.313 -4.235 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.923 2.613 -2.175 1.00 0.00 H new ATOM 404 N GLU A 747 8.023 -3.794 -2.636 1.00 0.00 N ATOM 405 CA GLU A 747 6.713 -3.599 -3.242 1.00 0.00 C ATOM 406 C GLU A 747 5.627 -3.764 -2.188 1.00 0.00 C ATOM 407 O GLU A 747 4.666 -2.996 -2.138 1.00 0.00 O ATOM 408 CB GLU A 747 6.496 -4.597 -4.381 1.00 0.00 C ATOM 409 CG GLU A 747 7.013 -4.108 -5.725 1.00 0.00 C ATOM 410 CD GLU A 747 6.513 -4.949 -6.882 1.00 0.00 C ATOM 411 OE1 GLU A 747 6.978 -6.099 -7.025 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.655 -4.458 -7.646 1.00 0.00 O ATOM 0 H GLU A 747 8.554 -4.577 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 747 6.663 -2.590 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.991 -5.535 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.431 -4.812 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.706 -3.073 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.103 -4.119 -5.717 1.00 0.00 H new ATOM 419 N GLU A 748 5.799 -4.771 -1.337 1.00 0.00 N ATOM 420 CA GLU A 748 4.847 -5.045 -0.268 1.00 0.00 C ATOM 421 C GLU A 748 4.850 -3.917 0.757 1.00 0.00 C ATOM 422 O GLU A 748 3.796 -3.478 1.219 1.00 0.00 O ATOM 423 CB GLU A 748 5.189 -6.366 0.419 1.00 0.00 C ATOM 424 CG GLU A 748 4.857 -7.591 -0.417 1.00 0.00 C ATOM 425 CD GLU A 748 3.387 -7.959 -0.352 1.00 0.00 C ATOM 426 OE1 GLU A 748 2.947 -8.459 0.704 1.00 0.00 O ATOM 427 OE2 GLU A 748 2.677 -7.749 -1.358 1.00 0.00 O ATOM 0 H GLU A 748 6.592 -5.412 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 748 3.852 -5.117 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.252 -6.377 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.649 -6.425 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 748 5.136 -7.405 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.455 -8.435 -0.072 1.00 0.00 H new ATOM 434 N HIS A 749 6.043 -3.450 1.102 1.00 0.00 N ATOM 435 CA HIS A 749 6.195 -2.367 2.067 1.00 0.00 C ATOM 436 C HIS A 749 5.576 -1.090 1.515 1.00 0.00 C ATOM 437 O HIS A 749 4.768 -0.441 2.180 1.00 0.00 O ATOM 438 CB HIS A 749 7.683 -2.175 2.389 1.00 0.00 C ATOM 439 CG HIS A 749 8.066 -0.781 2.783 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.155 -0.349 4.085 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.412 0.281 2.011 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.545 0.932 4.066 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.715 1.361 2.832 1.00 0.00 N ATOM 0 H HIS A 749 6.923 -3.805 0.727 1.00 0.00 H new ATOM 0 HA HIS A 749 5.674 -2.618 2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 749 7.956 -2.854 3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.269 -2.465 1.517 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.959 -0.905 4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.446 0.286 0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.700 1.535 4.948 1.00 0.00 H new ATOM 451 N VAL A 750 5.939 -0.752 0.286 1.00 0.00 N ATOM 452 CA VAL A 750 5.399 0.430 -0.369 1.00 0.00 C ATOM 453 C VAL A 750 3.878 0.343 -0.423 1.00 0.00 C ATOM 454 O VAL A 750 3.174 1.313 -0.144 1.00 0.00 O ATOM 455 CB VAL A 750 5.952 0.575 -1.801 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.289 1.736 -2.530 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.463 0.748 -1.773 1.00 0.00 C ATOM 0 H VAL A 750 6.605 -1.280 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 750 5.701 1.303 0.210 1.00 0.00 H new ATOM 0 HB VAL A 750 5.719 -0.339 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.698 1.815 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.214 1.563 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.479 2.662 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.837 0.849 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.716 1.642 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.920 -0.123 -1.303 1.00 0.00 H new ATOM 467 N GLU A 751 3.378 -0.838 -0.773 1.00 0.00 N ATOM 468 CA GLU A 751 1.943 -1.070 -0.854 1.00 0.00 C ATOM 469 C GLU A 751 1.322 -1.080 0.539 1.00 0.00 C ATOM 470 O GLU A 751 0.133 -0.804 0.701 1.00 0.00 O ATOM 471 CB GLU A 751 1.657 -2.395 -1.564 1.00 0.00 C ATOM 472 CG GLU A 751 2.132 -2.424 -3.008 1.00 0.00 C ATOM 473 CD GLU A 751 2.433 -3.828 -3.494 1.00 0.00 C ATOM 474 OE1 GLU A 751 1.930 -4.790 -2.876 1.00 0.00 O ATOM 475 OE2 GLU A 751 3.172 -3.966 -4.491 1.00 0.00 O ATOM 0 H GLU A 751 3.949 -1.651 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 751 1.497 -0.258 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.139 -3.204 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.584 -2.588 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.369 -1.978 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.028 -1.810 -3.105 1.00 0.00 H new ATOM 482 N SER A 752 2.132 -1.389 1.548 1.00 0.00 N ATOM 483 CA SER A 752 1.655 -1.419 2.925 1.00 0.00 C ATOM 484 C SER A 752 1.045 -0.074 3.298 1.00 0.00 C ATOM 485 O SER A 752 0.034 -0.008 3.998 1.00 0.00 O ATOM 486 CB SER A 752 2.799 -1.762 3.882 1.00 0.00 C ATOM 487 OG SER A 752 2.360 -2.633 4.909 1.00 0.00 O ATOM 0 H SER A 752 3.119 -1.621 1.437 1.00 0.00 H new ATOM 0 HA SER A 752 0.890 -2.190 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.613 -2.229 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.196 -0.847 4.322 1.00 0.00 H new ATOM 0 HG SER A 752 3.109 -2.839 5.506 1.00 0.00 H new ATOM 493 N HIS A 753 1.666 0.998 2.815 1.00 0.00 N ATOM 494 CA HIS A 753 1.183 2.348 3.086 1.00 0.00 C ATOM 495 C HIS A 753 -0.100 2.635 2.308 1.00 0.00 C ATOM 496 O HIS A 753 -0.897 3.489 2.700 1.00 0.00 O ATOM 497 CB HIS A 753 2.241 3.386 2.711 1.00 0.00 C ATOM 498 CG HIS A 753 3.604 3.089 3.251 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.055 3.528 4.474 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.630 2.391 2.702 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.313 3.097 4.628 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.709 2.401 3.582 1.00 0.00 N ATOM 0 H HIS A 753 2.504 0.958 2.235 1.00 0.00 H new ATOM 0 HA HIS A 753 0.975 2.414 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.299 3.454 1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.922 4.363 3.075 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.525 4.084 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.612 1.906 1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.924 3.294 5.497 1.00 0.00 H new ATOM 510 N TRP A 754 -0.291 1.920 1.203 1.00 0.00 N ATOM 511 CA TRP A 754 -1.473 2.103 0.369 1.00 0.00 C ATOM 512 C TRP A 754 -2.730 1.618 1.082 1.00 0.00 C ATOM 513 O TRP A 754 -2.657 0.829 2.024 1.00 0.00 O ATOM 514 CB TRP A 754 -1.313 1.350 -0.953 1.00 0.00 C ATOM 515 CG TRP A 754 -0.393 2.030 -1.920 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.661 2.843 -1.621 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.449 1.951 -3.345 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.262 3.277 -2.779 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.599 2.742 -3.852 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.285 1.287 -4.241 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.828 2.885 -5.217 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.058 1.428 -5.596 1.00 0.00 C ATOM 523 CH2 TRP A 754 -0.008 2.222 -6.074 1.00 0.00 C ATOM 0 H TRP A 754 0.358 1.209 0.865 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.576 3.170 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.936 0.348 -0.748 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.293 1.233 -1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 754 0.977 3.107 -0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.070 3.897 -2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.097 0.672 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.637 3.498 -5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.701 0.918 -6.298 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.145 2.313 -7.139 1.00 0.00 H new ATOM 534 N LYS A 755 -3.882 2.085 0.616 1.00 0.00 N ATOM 535 CA LYS A 755 -5.159 1.688 1.196 1.00 0.00 C ATOM 536 C LYS A 755 -5.640 0.401 0.545 1.00 0.00 C ATOM 537 O LYS A 755 -5.923 0.375 -0.647 1.00 0.00 O ATOM 538 CB LYS A 755 -6.198 2.794 1.001 1.00 0.00 C ATOM 539 CG LYS A 755 -6.118 3.897 2.044 1.00 0.00 C ATOM 540 CD LYS A 755 -6.234 5.273 1.409 1.00 0.00 C ATOM 541 CE LYS A 755 -6.829 6.284 2.376 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.775 7.062 3.085 1.00 0.00 N ATOM 0 H LYS A 755 -3.958 2.740 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.025 1.521 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -6.069 3.232 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.195 2.353 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.914 3.765 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.173 3.822 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.249 5.611 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.856 5.212 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.480 6.968 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.451 5.766 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.222 7.740 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.169 6.413 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.197 7.577 2.390 1.00 0.00 H new ATOM 556 N VAL A 756 -5.713 -0.673 1.322 1.00 0.00 N ATOM 557 CA VAL A 756 -6.140 -1.957 0.784 1.00 0.00 C ATOM 558 C VAL A 756 -7.377 -2.495 1.486 1.00 0.00 C ATOM 559 O VAL A 756 -7.470 -2.486 2.715 1.00 0.00 O ATOM 560 CB VAL A 756 -5.018 -3.005 0.877 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.421 -4.295 0.177 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.736 -2.452 0.283 1.00 0.00 C ATOM 0 H VAL A 756 -5.485 -0.681 2.316 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.386 -1.777 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.846 -3.234 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.611 -5.020 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.318 -4.699 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.623 -4.091 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.949 -3.202 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.900 -2.197 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.437 -1.559 0.831 1.00 0.00 H new ATOM 572 N CYS A 757 -8.315 -2.981 0.686 1.00 0.00 N ATOM 573 CA CYS A 757 -9.550 -3.552 1.202 1.00 0.00 C ATOM 574 C CYS A 757 -9.300 -4.971 1.713 1.00 0.00 C ATOM 575 O CYS A 757 -8.696 -5.789 1.018 1.00 0.00 O ATOM 576 CB CYS A 757 -10.618 -3.561 0.107 1.00 0.00 C ATOM 577 SG CYS A 757 -12.244 -4.123 0.663 1.00 0.00 S ATOM 0 H CYS A 757 -8.243 -2.991 -0.331 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.904 -2.941 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.713 -2.554 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.283 -4.204 -0.707 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.549 -5.233 0.059 1.00 0.00 H new ATOM 582 N PRO A 758 -9.742 -5.284 2.945 1.00 0.00 N ATOM 583 CA PRO A 758 -9.540 -6.601 3.545 1.00 0.00 C ATOM 584 C PRO A 758 -10.627 -7.609 3.180 1.00 0.00 C ATOM 585 O PRO A 758 -10.525 -8.789 3.520 1.00 0.00 O ATOM 586 CB PRO A 758 -9.586 -6.290 5.037 1.00 0.00 C ATOM 587 CG PRO A 758 -10.547 -5.152 5.152 1.00 0.00 C ATOM 588 CD PRO A 758 -10.455 -4.373 3.861 1.00 0.00 C ATOM 0 HA PRO A 758 -8.617 -7.067 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.922 -7.153 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.601 -6.018 5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.562 -5.517 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.298 -4.520 6.004 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.443 -4.115 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.912 -3.438 3.997 1.00 0.00 H new ATOM 596 N MET A 759 -11.670 -7.149 2.497 1.00 0.00 N ATOM 597 CA MET A 759 -12.765 -8.029 2.108 1.00 0.00 C ATOM 598 C MET A 759 -12.484 -8.716 0.774 1.00 0.00 C ATOM 599 O MET A 759 -12.992 -9.806 0.510 1.00 0.00 O ATOM 600 CB MET A 759 -14.068 -7.235 2.023 1.00 0.00 C ATOM 601 CG MET A 759 -14.440 -6.549 3.328 1.00 0.00 C ATOM 602 SD MET A 759 -15.692 -7.452 4.257 1.00 0.00 S ATOM 603 CE MET A 759 -15.182 -7.098 5.937 1.00 0.00 C ATOM 0 H MET A 759 -11.780 -6.178 2.203 1.00 0.00 H new ATOM 0 HA MET A 759 -12.860 -8.803 2.870 1.00 0.00 H new ATOM 0 HB2 MET A 759 -13.977 -6.484 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 759 -14.876 -7.906 1.730 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.547 -6.438 3.943 1.00 0.00 H new ATOM 0 HG3 MET A 759 -14.806 -5.545 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.884 -8.024 6.429 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.340 -6.406 5.923 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.012 -6.648 6.482 1.00 0.00 H new ATOM 613 N CYS A 760 -11.674 -8.077 -0.063 1.00 0.00 N ATOM 614 CA CYS A 760 -11.332 -8.639 -1.368 1.00 0.00 C ATOM 615 C CYS A 760 -9.821 -8.622 -1.608 1.00 0.00 C ATOM 616 O CYS A 760 -9.298 -9.451 -2.352 1.00 0.00 O ATOM 617 CB CYS A 760 -12.045 -7.867 -2.477 1.00 0.00 C ATOM 618 SG CYS A 760 -11.461 -6.173 -2.680 1.00 0.00 S ATOM 0 H CYS A 760 -11.243 -7.174 0.136 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.663 -9.678 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -11.916 -8.401 -3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.114 -7.849 -2.265 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.389 -5.346 -2.301 1.00 0.00 H new ATOM 623 N SER A 761 -9.129 -7.671 -0.973 1.00 0.00 N ATOM 624 CA SER A 761 -7.675 -7.532 -1.104 1.00 0.00 C ATOM 625 C SER A 761 -7.299 -6.631 -2.279 1.00 0.00 C ATOM 626 O SER A 761 -6.324 -6.892 -2.985 1.00 0.00 O ATOM 627 CB SER A 761 -6.996 -8.898 -1.255 1.00 0.00 C ATOM 628 OG SER A 761 -5.770 -8.939 -0.548 1.00 0.00 O ATOM 0 H SER A 761 -9.557 -6.980 -0.357 1.00 0.00 H new ATOM 0 HA SER A 761 -7.318 -7.065 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.659 -9.680 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.818 -9.104 -2.310 1.00 0.00 H new ATOM 0 HG SER A 761 -5.358 -9.821 -0.659 1.00 0.00 H new ATOM 634 N GLU A 762 -8.063 -5.560 -2.476 1.00 0.00 N ATOM 635 CA GLU A 762 -7.791 -4.612 -3.554 1.00 0.00 C ATOM 636 C GLU A 762 -6.832 -3.537 -3.074 1.00 0.00 C ATOM 637 O GLU A 762 -6.851 -3.163 -1.902 1.00 0.00 O ATOM 638 CB GLU A 762 -9.088 -3.965 -4.047 1.00 0.00 C ATOM 639 CG GLU A 762 -8.947 -3.270 -5.392 1.00 0.00 C ATOM 640 CD GLU A 762 -9.586 -4.051 -6.523 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.910 -4.935 -7.089 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.761 -3.779 -6.842 1.00 0.00 O ATOM 0 H GLU A 762 -8.875 -5.326 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.337 -5.157 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.861 -4.730 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.427 -3.241 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.403 -2.282 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -7.890 -3.121 -5.611 1.00 0.00 H new ATOM 649 N GLN A 763 -5.992 -3.036 -3.974 1.00 0.00 N ATOM 650 CA GLN A 763 -5.043 -2.002 -3.598 1.00 0.00 C ATOM 651 C GLN A 763 -5.471 -0.646 -4.140 1.00 0.00 C ATOM 652 O GLN A 763 -5.790 -0.500 -5.320 1.00 0.00 O ATOM 653 CB GLN A 763 -3.646 -2.353 -4.117 1.00 0.00 C ATOM 654 CG GLN A 763 -2.753 -2.998 -3.072 1.00 0.00 C ATOM 655 CD GLN A 763 -1.311 -2.542 -3.174 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.433 -3.305 -3.577 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.058 -1.289 -2.810 1.00 0.00 N ATOM 0 H GLN A 763 -5.950 -3.325 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.018 -1.945 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.743 -3.028 -4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.165 -1.446 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.135 -2.763 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.796 -4.082 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.816 -0.690 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.106 -0.926 -2.859 1.00 0.00 H new ATOM 666 N PHE A 764 -5.458 0.342 -3.258 1.00 0.00 N ATOM 667 CA PHE A 764 -5.825 1.706 -3.611 1.00 0.00 C ATOM 668 C PHE A 764 -4.651 2.660 -3.383 1.00 0.00 C ATOM 669 O PHE A 764 -4.197 2.824 -2.249 1.00 0.00 O ATOM 670 CB PHE A 764 -7.038 2.155 -2.792 1.00 0.00 C ATOM 671 CG PHE A 764 -8.262 1.313 -3.023 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.450 0.132 -2.322 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.223 1.702 -3.942 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.574 -0.644 -2.533 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.348 0.929 -4.157 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.523 -0.245 -3.452 1.00 0.00 C ATOM 0 H PHE A 764 -5.194 0.222 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 764 -6.084 1.729 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.782 2.127 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.268 3.192 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.710 -0.185 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -9.091 2.619 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.709 -1.561 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -11.090 1.243 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.402 -0.850 -3.620 1.00 0.00 H new ATOM 686 N PRO A 765 -4.140 3.305 -4.447 1.00 0.00 N ATOM 687 CA PRO A 765 -3.016 4.240 -4.327 1.00 0.00 C ATOM 688 C PRO A 765 -3.329 5.391 -3.373 1.00 0.00 C ATOM 689 O PRO A 765 -4.488 5.768 -3.203 1.00 0.00 O ATOM 690 CB PRO A 765 -2.826 4.767 -5.753 1.00 0.00 C ATOM 691 CG PRO A 765 -3.459 3.743 -6.630 1.00 0.00 C ATOM 692 CD PRO A 765 -4.604 3.178 -5.840 1.00 0.00 C ATOM 0 HA PRO A 765 -2.127 3.757 -3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.298 5.741 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.769 4.891 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.809 4.188 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.746 2.963 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.526 3.734 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.804 2.140 -6.106 1.00 0.00 H new ATOM 700 N PRO A 766 -2.295 5.964 -2.732 1.00 0.00 N ATOM 701 CA PRO A 766 -2.469 7.073 -1.788 1.00 0.00 C ATOM 702 C PRO A 766 -3.250 8.236 -2.393 1.00 0.00 C ATOM 703 O PRO A 766 -3.846 9.036 -1.671 1.00 0.00 O ATOM 704 CB PRO A 766 -1.034 7.502 -1.470 1.00 0.00 C ATOM 705 CG PRO A 766 -0.209 6.291 -1.736 1.00 0.00 C ATOM 706 CD PRO A 766 -0.881 5.575 -2.874 1.00 0.00 C ATOM 0 HA PRO A 766 -3.042 6.772 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.723 8.338 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.938 7.827 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.813 6.565 -1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -0.154 5.655 -0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.474 5.881 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.752 4.495 -2.802 1.00 0.00 H new ATOM 714 N ASP A 767 -3.248 8.322 -3.719 1.00 0.00 N ATOM 715 CA ASP A 767 -3.960 9.386 -4.416 1.00 0.00 C ATOM 716 C ASP A 767 -5.445 9.056 -4.554 1.00 0.00 C ATOM 717 O ASP A 767 -6.250 9.916 -4.910 1.00 0.00 O ATOM 718 CB ASP A 767 -3.346 9.616 -5.799 1.00 0.00 C ATOM 719 CG ASP A 767 -3.333 11.081 -6.190 1.00 0.00 C ATOM 720 OD1 ASP A 767 -4.393 11.734 -6.084 1.00 0.00 O ATOM 721 OD2 ASP A 767 -2.263 11.575 -6.603 1.00 0.00 O ATOM 0 H ASP A 767 -2.761 7.668 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.865 10.297 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.326 9.231 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.908 9.050 -6.542 1.00 0.00 H new ATOM 726 N TYR A 768 -5.802 7.805 -4.270 1.00 0.00 N ATOM 727 CA TYR A 768 -7.189 7.368 -4.361 1.00 0.00 C ATOM 728 C TYR A 768 -8.043 8.046 -3.295 1.00 0.00 C ATOM 729 O TYR A 768 -7.644 8.143 -2.135 1.00 0.00 O ATOM 730 CB TYR A 768 -7.277 5.849 -4.206 1.00 0.00 C ATOM 731 CG TYR A 768 -8.380 5.217 -5.024 1.00 0.00 C ATOM 732 CD1 TYR A 768 -8.148 4.788 -6.325 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.653 5.050 -4.495 1.00 0.00 C ATOM 734 CE1 TYR A 768 -9.155 4.210 -7.075 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.664 4.472 -5.238 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.411 4.054 -6.528 1.00 0.00 C ATOM 737 OH TYR A 768 -11.415 3.479 -7.271 1.00 0.00 O ATOM 0 H TYR A 768 -5.149 7.079 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.569 7.651 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.323 5.407 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.433 5.609 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -7.165 4.908 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.856 5.377 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.959 3.882 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.648 4.348 -4.811 1.00 0.00 H new ATOM 0 HH TYR A 768 -12.237 3.443 -6.738 1.00 0.00 H new ATOM 747 N ASP A 769 -9.222 8.510 -3.694 1.00 0.00 N ATOM 748 CA ASP A 769 -10.131 9.174 -2.769 1.00 0.00 C ATOM 749 C ASP A 769 -10.629 8.198 -1.709 1.00 0.00 C ATOM 750 O ASP A 769 -11.196 7.153 -2.032 1.00 0.00 O ATOM 751 CB ASP A 769 -11.318 9.773 -3.525 1.00 0.00 C ATOM 752 CG ASP A 769 -12.030 10.848 -2.726 1.00 0.00 C ATOM 753 OD1 ASP A 769 -11.340 11.639 -2.050 1.00 0.00 O ATOM 754 OD2 ASP A 769 -13.276 10.898 -2.778 1.00 0.00 O ATOM 0 H ASP A 769 -9.570 8.438 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.585 9.977 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.969 10.196 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -12.024 8.981 -3.773 1.00 0.00 H new ATOM 759 N GLN A 770 -10.411 8.541 -0.443 1.00 0.00 N ATOM 760 CA GLN A 770 -10.837 7.688 0.661 1.00 0.00 C ATOM 761 C GLN A 770 -12.332 7.402 0.582 1.00 0.00 C ATOM 762 O GLN A 770 -12.789 6.323 0.960 1.00 0.00 O ATOM 763 CB GLN A 770 -10.500 8.345 2.001 1.00 0.00 C ATOM 764 CG GLN A 770 -10.836 7.480 3.204 1.00 0.00 C ATOM 765 CD GLN A 770 -9.613 6.819 3.808 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.612 7.478 4.090 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.687 5.507 4.009 1.00 0.00 N ATOM 0 H GLN A 770 -9.943 9.401 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.301 6.742 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.437 8.584 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.041 9.288 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.325 8.092 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.550 6.712 2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.537 5.000 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.894 5.007 4.412 1.00 0.00 H new ATOM 776 N GLN A 771 -13.092 8.372 0.084 1.00 0.00 N ATOM 777 CA GLN A 771 -14.536 8.215 -0.048 1.00 0.00 C ATOM 778 C GLN A 771 -14.861 7.039 -0.963 1.00 0.00 C ATOM 779 O GLN A 771 -15.713 6.209 -0.647 1.00 0.00 O ATOM 780 CB GLN A 771 -15.164 9.497 -0.600 1.00 0.00 C ATOM 781 CG GLN A 771 -16.653 9.615 -0.318 1.00 0.00 C ATOM 782 CD GLN A 771 -16.950 9.869 1.148 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.436 10.817 1.741 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.783 9.021 1.739 1.00 0.00 N ATOM 0 H GLN A 771 -12.733 9.272 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.952 8.017 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.652 10.357 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.002 9.536 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -17.069 10.426 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -17.153 8.699 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -18.186 8.249 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -18.020 9.142 2.724 1.00 0.00 H new ATOM 793 N VAL A 772 -14.166 6.971 -2.095 1.00 0.00 N ATOM 794 CA VAL A 772 -14.371 5.891 -3.050 1.00 0.00 C ATOM 795 C VAL A 772 -13.929 4.561 -2.455 1.00 0.00 C ATOM 796 O VAL A 772 -14.608 3.545 -2.603 1.00 0.00 O ATOM 797 CB VAL A 772 -13.599 6.140 -4.359 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.954 5.088 -5.399 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.880 7.539 -4.890 1.00 0.00 C ATOM 0 H VAL A 772 -13.457 7.651 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.437 5.857 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.532 6.064 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.398 5.281 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.695 4.099 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -15.023 5.128 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -13.325 7.695 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.947 7.647 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.569 8.278 -4.151 1.00 0.00 H new ATOM 809 N PHE A 773 -12.789 4.578 -1.769 1.00 0.00 N ATOM 810 CA PHE A 773 -12.262 3.375 -1.139 1.00 0.00 C ATOM 811 C PHE A 773 -13.223 2.880 -0.063 1.00 0.00 C ATOM 812 O PHE A 773 -13.616 1.715 -0.055 1.00 0.00 O ATOM 813 CB PHE A 773 -10.885 3.650 -0.528 1.00 0.00 C ATOM 814 CG PHE A 773 -10.384 2.539 0.353 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.374 1.226 -0.096 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.931 2.808 1.634 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.920 0.206 0.718 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.478 1.792 2.452 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.472 0.489 1.994 1.00 0.00 C ATOM 0 H PHE A 773 -12.215 5.411 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.157 2.603 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.167 3.817 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.932 4.570 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.725 0.999 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.932 3.825 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.915 -0.812 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.129 2.016 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.118 -0.307 2.632 1.00 0.00 H new ATOM 829 N GLU A 774 -13.602 3.780 0.842 1.00 0.00 N ATOM 830 CA GLU A 774 -14.522 3.436 1.920 1.00 0.00 C ATOM 831 C GLU A 774 -15.807 2.848 1.350 1.00 0.00 C ATOM 832 O GLU A 774 -16.371 1.905 1.905 1.00 0.00 O ATOM 833 CB GLU A 774 -14.839 4.670 2.767 1.00 0.00 C ATOM 834 CG GLU A 774 -13.857 4.895 3.906 1.00 0.00 C ATOM 835 CD GLU A 774 -14.518 4.825 5.269 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.725 5.126 5.360 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.825 4.469 6.246 1.00 0.00 O ATOM 0 H GLU A 774 -13.286 4.750 0.849 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.045 2.690 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.845 5.550 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.843 4.570 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.066 4.147 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.384 5.869 3.786 1.00 0.00 H new ATOM 844 N ARG A 775 -16.255 3.404 0.229 1.00 0.00 N ATOM 845 CA ARG A 775 -17.463 2.925 -0.429 1.00 0.00 C ATOM 846 C ARG A 775 -17.259 1.499 -0.926 1.00 0.00 C ATOM 847 O ARG A 775 -18.155 0.659 -0.831 1.00 0.00 O ATOM 848 CB ARG A 775 -17.827 3.840 -1.601 1.00 0.00 C ATOM 849 CG ARG A 775 -18.914 4.849 -1.270 1.00 0.00 C ATOM 850 CD ARG A 775 -20.300 4.269 -1.493 1.00 0.00 C ATOM 851 NE ARG A 775 -21.218 4.609 -0.408 1.00 0.00 N ATOM 852 CZ ARG A 775 -22.525 4.355 -0.434 1.00 0.00 C ATOM 853 NH1 ARG A 775 -23.070 3.760 -1.487 1.00 0.00 N ATOM 854 NH2 ARG A 775 -23.287 4.696 0.595 1.00 0.00 N ATOM 0 H ARG A 775 -15.799 4.186 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.280 2.935 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.934 4.374 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -18.155 3.228 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -18.814 5.166 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.787 5.738 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -20.701 4.640 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -20.229 3.185 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 775 -20.835 5.068 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -22.487 3.495 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -24.072 3.567 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -22.873 5.153 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -24.288 4.501 0.575 1.00 0.00 H new ATOM 868 N HIS A 776 -16.066 1.235 -1.450 1.00 0.00 N ATOM 869 CA HIS A 776 -15.726 -0.087 -1.961 1.00 0.00 C ATOM 870 C HIS A 776 -15.611 -1.093 -0.818 1.00 0.00 C ATOM 871 O HIS A 776 -16.159 -2.191 -0.888 1.00 0.00 O ATOM 872 CB HIS A 776 -14.415 -0.021 -2.750 1.00 0.00 C ATOM 873 CG HIS A 776 -13.678 -1.322 -2.826 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.724 -2.171 -3.907 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.855 -1.915 -1.921 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.948 -3.226 -3.634 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.397 -3.117 -2.443 1.00 0.00 N ATOM 0 H HIS A 776 -15.317 1.922 -1.532 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.522 -0.419 -2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.630 0.321 -3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.766 0.725 -2.292 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.256 -2.023 -4.765 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.599 -1.515 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.793 -4.059 -4.304 1.00 0.00 H new ATOM 885 N VAL A 777 -14.902 -0.713 0.239 1.00 0.00 N ATOM 886 CA VAL A 777 -14.743 -1.597 1.387 1.00 0.00 C ATOM 887 C VAL A 777 -16.092 -1.811 2.058 1.00 0.00 C ATOM 888 O VAL A 777 -16.432 -2.924 2.459 1.00 0.00 O ATOM 889 CB VAL A 777 -13.744 -1.053 2.426 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.123 -2.197 3.209 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.663 -0.213 1.766 1.00 0.00 C ATOM 0 H VAL A 777 -14.434 0.189 0.325 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.344 -2.539 1.010 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.292 -0.410 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.419 -1.798 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.906 -2.752 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.597 -2.863 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.974 0.156 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.117 -0.823 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.122 0.631 1.251 1.00 0.00 H new ATOM 901 N GLN A 778 -16.867 -0.734 2.153 1.00 0.00 N ATOM 902 CA GLN A 778 -18.194 -0.796 2.749 1.00 0.00 C ATOM 903 C GLN A 778 -19.103 -1.668 1.892 1.00 0.00 C ATOM 904 O GLN A 778 -20.012 -2.326 2.396 1.00 0.00 O ATOM 905 CB GLN A 778 -18.787 0.608 2.883 1.00 0.00 C ATOM 906 CG GLN A 778 -18.241 1.388 4.068 1.00 0.00 C ATOM 907 CD GLN A 778 -18.775 0.881 5.392 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.943 0.510 5.503 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.919 0.863 6.408 1.00 0.00 N ATOM 0 H GLN A 778 -16.596 0.193 1.824 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.112 -1.233 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.588 1.166 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.870 0.528 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.153 1.324 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.498 2.441 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.959 1.180 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.222 0.532 7.324 1.00 0.00 H new ATOM 918 N THR A 779 -18.832 -1.677 0.588 1.00 0.00 N ATOM 919 CA THR A 779 -19.604 -2.476 -0.352 1.00 0.00 C ATOM 920 C THR A 779 -19.525 -3.953 0.023 1.00 0.00 C ATOM 921 O THR A 779 -20.425 -4.735 -0.286 1.00 0.00 O ATOM 922 CB THR A 779 -19.090 -2.247 -1.778 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.426 -0.947 -2.227 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.629 -3.230 -2.793 1.00 0.00 C ATOM 0 H THR A 779 -18.080 -1.137 0.161 1.00 0.00 H new ATOM 0 HA THR A 779 -20.649 -2.169 -0.308 1.00 0.00 H new ATOM 0 HB THR A 779 -18.011 -2.385 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.290 -0.304 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.218 -3.000 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.342 -4.242 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.716 -3.157 -2.828 1.00 0.00 H new ATOM 932 N HIS A 780 -18.442 -4.324 0.699 1.00 0.00 N ATOM 933 CA HIS A 780 -18.238 -5.699 1.132 1.00 0.00 C ATOM 934 C HIS A 780 -18.932 -5.951 2.468 1.00 0.00 C ATOM 935 O HIS A 780 -19.370 -7.066 2.752 1.00 0.00 O ATOM 936 CB HIS A 780 -16.744 -5.993 1.262 1.00 0.00 C ATOM 937 CG HIS A 780 -16.002 -5.916 -0.034 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.057 -6.890 -1.006 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.173 -4.953 -0.514 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.278 -6.501 -2.023 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.721 -5.331 -1.775 1.00 0.00 N ATOM 0 H HIS A 780 -17.689 -3.687 0.959 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.671 -6.362 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.303 -5.286 1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.614 -6.988 1.687 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.596 -7.755 -0.959 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.907 -4.041 -0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.126 -7.070 -2.928 1.00 0.00 H new ATOM 949 N PHE A 781 -19.028 -4.905 3.283 1.00 0.00 N ATOM 950 CA PHE A 781 -19.668 -5.006 4.591 1.00 0.00 C ATOM 951 C PHE A 781 -21.180 -5.177 4.458 1.00 0.00 C ATOM 952 O PHE A 781 -21.863 -5.498 5.431 1.00 0.00 O ATOM 953 CB PHE A 781 -19.357 -3.762 5.430 1.00 0.00 C ATOM 954 CG PHE A 781 -17.890 -3.428 5.520 1.00 0.00 C ATOM 955 CD1 PHE A 781 -16.921 -4.371 5.212 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.484 -2.164 5.915 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.577 -4.059 5.298 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.142 -1.847 6.002 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.188 -2.795 5.693 1.00 0.00 C ATOM 0 H PHE A 781 -18.670 -3.976 3.061 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.268 -5.888 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.887 -2.909 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.747 -3.910 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.220 -5.361 4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.225 -1.417 6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.833 -4.803 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.840 -0.858 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.139 -2.548 5.760 1.00 0.00 H new ATOM 969 N ASP A 782 -21.702 -4.961 3.253 1.00 0.00 N ATOM 970 CA ASP A 782 -23.133 -5.092 3.004 1.00 0.00 C ATOM 971 C ASP A 782 -23.473 -6.478 2.460 1.00 0.00 C ATOM 972 O ASP A 782 -24.490 -6.657 1.789 1.00 0.00 O ATOM 973 CB ASP A 782 -23.600 -4.017 2.022 1.00 0.00 C ATOM 974 CG ASP A 782 -23.756 -2.660 2.682 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.859 -2.371 3.192 1.00 0.00 O ATOM 976 OD2 ASP A 782 -22.775 -1.888 2.687 1.00 0.00 O ATOM 0 H ASP A 782 -21.155 -4.695 2.435 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.653 -4.961 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -22.884 -3.940 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.552 -4.317 1.585 1.00 0.00 H new