USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=18 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= -5.73! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.52! USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.02 K(o=-14,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.84! C(o=-14!,f=-14!) USER MOD Set 2.1: A 730 CYS SG : rot 37:sc= -2.84 USER MOD Set 2.2: A 733 CYS SG : rot -102:sc= -1.26 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.18 K(o=-9.8,f=-17!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.56 K(o=-9.8,f=-14!) USER MOD Set 3.1: A 741 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 745 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.439) USER MOD Set 4.1: A 728 LYS NZ :NH3+ -175:sc= -0.0447 (180deg=0) USER MOD Set 4.2: A 743 GLN : amide:sc= -0.493 X(o=-0.54,f=-0.5) USER MOD Single : A 727 HIS : no HD1:sc= -4.52! K(o=-4.5!,f=-3) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl -151:sc= -0.0778 (180deg=-1.31) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 744 SER OG : rot -91:sc= 0.0256 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 -108:sc= -1.82 (180deg=-6.46!) USER MOD Single : A 761 SER OG : rot 93:sc= -0.123 USER MOD Single : A 763 GLN : amide:sc= -4.84 K(o=-4.8,f=-13!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.9 X(o=-1.9,f=-2.3) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.7) USER MOD Single : A 779 THR OG1 : rot 59:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.582 2.846 -1.667 1.00 0.00 N ATOM 74 CA HIS A 727 19.578 2.565 -0.647 1.00 0.00 C ATOM 75 C HIS A 727 18.180 2.915 -1.147 1.00 0.00 C ATOM 76 O HIS A 727 17.897 4.069 -1.468 1.00 0.00 O ATOM 77 CB HIS A 727 19.887 3.348 0.631 1.00 0.00 C ATOM 78 CG HIS A 727 20.695 2.574 1.625 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.408 3.169 2.645 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.900 1.242 1.754 1.00 0.00 C ATOM 81 CE1 HIS A 727 22.016 2.237 3.357 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.723 1.059 2.837 1.00 0.00 N ATOM 0 HA HIS A 727 19.608 1.498 -0.428 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.425 4.259 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.950 3.654 1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.492 0.467 1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.645 2.409 4.218 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.055 0.159 3.184 1.00 0.00 H new ATOM 91 N LYS A 728 17.311 1.913 -1.208 1.00 0.00 N ATOM 92 CA LYS A 728 15.942 2.115 -1.667 1.00 0.00 C ATOM 93 C LYS A 728 15.083 2.712 -0.557 1.00 0.00 C ATOM 94 O LYS A 728 14.905 2.104 0.498 1.00 0.00 O ATOM 95 CB LYS A 728 15.338 0.793 -2.141 1.00 0.00 C ATOM 96 CG LYS A 728 15.876 0.325 -3.483 1.00 0.00 C ATOM 97 CD LYS A 728 15.430 -1.095 -3.802 1.00 0.00 C ATOM 98 CE LYS A 728 14.538 -1.137 -5.032 1.00 0.00 C ATOM 99 NZ LYS A 728 15.317 -1.386 -6.276 1.00 0.00 N ATOM 0 H LYS A 728 17.530 0.952 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 728 15.964 2.814 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.533 0.025 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.256 0.902 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.534 0.999 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.965 0.372 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.305 -1.724 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.894 -1.509 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.789 -1.919 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.001 -0.193 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 14.685 -1.323 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 16.070 -0.674 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.740 -2.335 -6.236 1.00 0.00 H new ATOM 113 N LYS A 729 14.556 3.908 -0.802 1.00 0.00 N ATOM 114 CA LYS A 729 13.717 4.588 0.177 1.00 0.00 C ATOM 115 C LYS A 729 12.265 4.634 -0.288 1.00 0.00 C ATOM 116 O LYS A 729 11.969 5.113 -1.383 1.00 0.00 O ATOM 117 CB LYS A 729 14.234 6.008 0.422 1.00 0.00 C ATOM 118 CG LYS A 729 14.369 6.362 1.895 1.00 0.00 C ATOM 119 CD LYS A 729 13.312 7.366 2.330 1.00 0.00 C ATOM 120 CE LYS A 729 13.925 8.723 2.638 1.00 0.00 C ATOM 121 NZ LYS A 729 14.171 9.516 1.401 1.00 0.00 N ATOM 0 H LYS A 729 14.696 4.425 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 729 13.761 4.027 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.205 6.120 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.558 6.719 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 729 14.281 5.457 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 729 15.361 6.774 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 729 12.565 7.473 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 729 12.794 6.991 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.261 9.279 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.865 8.584 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.589 10.434 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.825 8.997 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 13.271 9.671 0.903 1.00 0.00 H new ATOM 135 N CYS A 730 11.363 4.137 0.551 1.00 0.00 N ATOM 136 CA CYS A 730 9.943 4.126 0.225 1.00 0.00 C ATOM 137 C CYS A 730 9.358 5.537 0.328 1.00 0.00 C ATOM 138 O CYS A 730 9.371 6.144 1.397 1.00 0.00 O ATOM 139 CB CYS A 730 9.195 3.169 1.156 1.00 0.00 C ATOM 140 SG CYS A 730 7.401 3.179 0.948 1.00 0.00 S ATOM 0 H CYS A 730 11.590 3.737 1.461 1.00 0.00 H new ATOM 0 HA CYS A 730 9.825 3.779 -0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.563 2.157 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.431 3.427 2.188 1.00 0.00 H new ATOM 0 HG CYS A 730 7.111 3.322 -0.311 1.00 0.00 H new ATOM 145 N PRO A 731 8.847 6.083 -0.793 1.00 0.00 N ATOM 146 CA PRO A 731 8.273 7.435 -0.825 1.00 0.00 C ATOM 147 C PRO A 731 7.136 7.631 0.173 1.00 0.00 C ATOM 148 O PRO A 731 6.827 8.758 0.559 1.00 0.00 O ATOM 149 CB PRO A 731 7.747 7.571 -2.258 1.00 0.00 C ATOM 150 CG PRO A 731 8.529 6.582 -3.049 1.00 0.00 C ATOM 151 CD PRO A 731 8.804 5.437 -2.118 1.00 0.00 C ATOM 0 HA PRO A 731 9.016 8.183 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.679 7.361 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.891 8.583 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 731 7.968 6.249 -3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.458 7.020 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.023 4.678 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.746 4.942 -2.355 1.00 0.00 H new ATOM 159 N LEU A 732 6.507 6.536 0.580 1.00 0.00 N ATOM 160 CA LEU A 732 5.395 6.602 1.523 1.00 0.00 C ATOM 161 C LEU A 732 5.878 6.845 2.949 1.00 0.00 C ATOM 162 O LEU A 732 5.128 7.346 3.788 1.00 0.00 O ATOM 163 CB LEU A 732 4.575 5.315 1.460 1.00 0.00 C ATOM 164 CG LEU A 732 3.858 5.084 0.131 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.780 3.601 -0.190 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.471 5.700 0.174 1.00 0.00 C ATOM 0 H LEU A 732 6.746 5.593 0.274 1.00 0.00 H new ATOM 0 HA LEU A 732 4.768 7.446 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.235 4.469 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.834 5.332 2.260 1.00 0.00 H new ATOM 0 HG LEU A 732 4.430 5.567 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.265 3.461 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.787 3.190 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.231 3.086 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.968 5.530 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.894 5.241 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.554 6.772 0.354 1.00 0.00 H new ATOM 178 N CYS A 733 7.126 6.488 3.224 1.00 0.00 N ATOM 179 CA CYS A 733 7.691 6.671 4.556 1.00 0.00 C ATOM 180 C CYS A 733 9.125 7.185 4.476 1.00 0.00 C ATOM 181 O CYS A 733 9.602 7.561 3.405 1.00 0.00 O ATOM 182 CB CYS A 733 7.645 5.355 5.333 1.00 0.00 C ATOM 183 SG CYS A 733 8.689 4.054 4.640 1.00 0.00 S ATOM 0 H CYS A 733 7.764 6.072 2.546 1.00 0.00 H new ATOM 0 HA CYS A 733 7.092 7.415 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.951 5.542 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.615 5.001 5.366 1.00 0.00 H new ATOM 0 HG CYS A 733 7.951 3.210 3.981 1.00 0.00 H new ATOM 188 N GLU A 734 9.808 7.202 5.616 1.00 0.00 N ATOM 189 CA GLU A 734 11.187 7.672 5.674 1.00 0.00 C ATOM 190 C GLU A 734 12.126 6.557 6.124 1.00 0.00 C ATOM 191 O GLU A 734 13.027 6.779 6.934 1.00 0.00 O ATOM 192 CB GLU A 734 11.299 8.867 6.623 1.00 0.00 C ATOM 193 CG GLU A 734 10.543 10.096 6.147 1.00 0.00 C ATOM 194 CD GLU A 734 10.004 10.929 7.294 1.00 0.00 C ATOM 195 OE1 GLU A 734 10.818 11.546 8.013 1.00 0.00 O ATOM 196 OE2 GLU A 734 8.768 10.966 7.472 1.00 0.00 O ATOM 0 H GLU A 734 9.429 6.896 6.512 1.00 0.00 H new ATOM 0 HA GLU A 734 11.481 7.984 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.923 8.577 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.351 9.124 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 734 11.204 10.710 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.716 9.785 5.509 1.00 0.00 H new ATOM 203 N LEU A 735 11.909 5.357 5.595 1.00 0.00 N ATOM 204 CA LEU A 735 12.737 4.208 5.942 1.00 0.00 C ATOM 205 C LEU A 735 13.689 3.856 4.804 1.00 0.00 C ATOM 206 O LEU A 735 13.291 3.816 3.640 1.00 0.00 O ATOM 207 CB LEU A 735 11.859 2.999 6.276 1.00 0.00 C ATOM 208 CG LEU A 735 12.481 1.996 7.248 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.649 2.620 8.625 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.630 0.738 7.332 1.00 0.00 C ATOM 0 H LEU A 735 11.167 5.155 4.925 1.00 0.00 H new ATOM 0 HA LEU A 735 13.328 4.474 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.920 3.357 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.614 2.480 5.349 1.00 0.00 H new ATOM 0 HG LEU A 735 13.467 1.720 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 735 13.093 1.891 9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 735 13.299 3.492 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.675 2.925 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.087 0.035 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.631 0.997 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.561 0.279 6.346 1.00 0.00 H new ATOM 222 N MET A 736 14.946 3.601 5.149 1.00 0.00 N ATOM 223 CA MET A 736 15.954 3.249 4.156 1.00 0.00 C ATOM 224 C MET A 736 16.231 1.750 4.177 1.00 0.00 C ATOM 225 O MET A 736 16.424 1.159 5.240 1.00 0.00 O ATOM 226 CB MET A 736 17.248 4.026 4.414 1.00 0.00 C ATOM 227 CG MET A 736 17.443 5.209 3.480 1.00 0.00 C ATOM 228 SD MET A 736 19.156 5.769 3.417 1.00 0.00 S ATOM 229 CE MET A 736 19.218 6.487 1.778 1.00 0.00 C ATOM 0 H MET A 736 15.291 3.631 6.108 1.00 0.00 H new ATOM 0 HA MET A 736 15.571 3.516 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.249 4.383 5.444 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.096 3.349 4.311 1.00 0.00 H new ATOM 0 HG2 MET A 736 17.118 4.932 2.477 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.807 6.032 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.231 6.407 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.530 5.955 1.121 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.931 7.537 1.830 1.00 0.00 H new ATOM 239 N PHE A 737 16.245 1.138 2.998 1.00 0.00 N ATOM 240 CA PHE A 737 16.494 -0.294 2.885 1.00 0.00 C ATOM 241 C PHE A 737 17.865 -0.564 2.264 1.00 0.00 C ATOM 242 O PHE A 737 18.299 0.155 1.363 1.00 0.00 O ATOM 243 CB PHE A 737 15.391 -0.954 2.054 1.00 0.00 C ATOM 244 CG PHE A 737 14.039 -0.892 2.707 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.898 -1.135 4.064 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.908 -0.589 1.964 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.657 -1.077 4.668 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.663 -0.531 2.563 1.00 0.00 C ATOM 249 CZ PHE A 737 11.538 -0.774 3.917 1.00 0.00 C ATOM 0 H PHE A 737 16.087 1.611 2.108 1.00 0.00 H new ATOM 0 HA PHE A 737 16.488 -0.724 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.339 -0.468 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.654 -1.997 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.769 -1.373 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.001 -0.396 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.562 -1.268 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.790 -0.296 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.567 -0.727 4.388 1.00 0.00 H new ATOM 259 N PRO A 738 18.570 -1.605 2.745 1.00 0.00 N ATOM 260 CA PRO A 738 19.902 -1.965 2.240 1.00 0.00 C ATOM 261 C PRO A 738 19.879 -2.398 0.775 1.00 0.00 C ATOM 262 O PRO A 738 18.850 -2.842 0.267 1.00 0.00 O ATOM 263 CB PRO A 738 20.327 -3.133 3.135 1.00 0.00 C ATOM 264 CG PRO A 738 19.054 -3.683 3.680 1.00 0.00 C ATOM 265 CD PRO A 738 18.129 -2.509 3.822 1.00 0.00 C ATOM 0 HA PRO A 738 20.585 -1.116 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.872 -3.887 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.987 -2.798 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.634 -4.433 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.218 -4.170 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.086 -2.801 3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.218 -2.042 4.803 1.00 0.00 H new ATOM 273 N PRO A 739 21.022 -2.272 0.075 1.00 0.00 N ATOM 274 CA PRO A 739 21.132 -2.653 -1.337 1.00 0.00 C ATOM 275 C PRO A 739 20.760 -4.113 -1.573 1.00 0.00 C ATOM 276 O PRO A 739 20.329 -4.484 -2.665 1.00 0.00 O ATOM 277 CB PRO A 739 22.611 -2.422 -1.664 1.00 0.00 C ATOM 278 CG PRO A 739 23.088 -1.456 -0.635 1.00 0.00 C ATOM 279 CD PRO A 739 22.294 -1.751 0.606 1.00 0.00 C ATOM 0 HA PRO A 739 20.451 -2.077 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.175 -3.354 -1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.735 -2.020 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.156 -1.575 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 739 22.933 -0.428 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.795 -2.482 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.142 -0.856 1.209 1.00 0.00 H new ATOM 287 N ASN A 740 20.925 -4.937 -0.543 1.00 0.00 N ATOM 288 CA ASN A 740 20.604 -6.357 -0.639 1.00 0.00 C ATOM 289 C ASN A 740 19.130 -6.615 -0.326 1.00 0.00 C ATOM 290 O ASN A 740 18.707 -7.764 -0.200 1.00 0.00 O ATOM 291 CB ASN A 740 21.486 -7.166 0.314 1.00 0.00 C ATOM 292 CG ASN A 740 22.933 -7.214 -0.136 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.235 -7.631 -1.255 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.839 -6.787 0.738 1.00 0.00 N ATOM 0 H ASN A 740 21.279 -4.646 0.368 1.00 0.00 H new ATOM 0 HA ASN A 740 20.796 -6.673 -1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.433 -6.730 1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.098 -8.182 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.829 -6.797 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.544 -6.450 1.654 1.00 0.00 H new ATOM 301 N TYR A 741 18.352 -5.541 -0.203 1.00 0.00 N ATOM 302 CA TYR A 741 16.930 -5.659 0.093 1.00 0.00 C ATOM 303 C TYR A 741 16.157 -6.126 -1.135 1.00 0.00 C ATOM 304 O TYR A 741 16.271 -5.540 -2.213 1.00 0.00 O ATOM 305 CB TYR A 741 16.383 -4.314 0.574 1.00 0.00 C ATOM 306 CG TYR A 741 15.023 -4.407 1.226 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.862 -4.331 0.466 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.899 -4.566 2.600 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.617 -4.411 1.058 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.656 -4.650 3.198 1.00 0.00 C ATOM 311 CZ TYR A 741 12.519 -4.570 2.424 1.00 0.00 C ATOM 312 OH TYR A 741 11.280 -4.650 3.019 1.00 0.00 O ATOM 0 H TYR A 741 18.684 -4.582 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 741 16.804 -6.401 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.087 -3.879 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.323 -3.632 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.935 -4.207 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.788 -4.625 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.724 -4.349 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.576 -4.778 4.267 1.00 0.00 H new ATOM 0 HH TYR A 741 11.388 -4.762 3.987 1.00 0.00 H new ATOM 322 N ASP A 742 15.369 -7.183 -0.967 1.00 0.00 N ATOM 323 CA ASP A 742 14.577 -7.727 -2.064 1.00 0.00 C ATOM 324 C ASP A 742 13.477 -6.754 -2.473 1.00 0.00 C ATOM 325 O ASP A 742 12.743 -6.241 -1.629 1.00 0.00 O ATOM 326 CB ASP A 742 13.965 -9.069 -1.660 1.00 0.00 C ATOM 327 CG ASP A 742 14.881 -10.238 -1.967 1.00 0.00 C ATOM 328 OD1 ASP A 742 16.061 -10.188 -1.562 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.417 -11.202 -2.611 1.00 0.00 O ATOM 0 H ASP A 742 15.262 -7.679 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 742 15.237 -7.880 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.741 -9.057 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.018 -9.206 -2.183 1.00 0.00 H new ATOM 334 N GLN A 743 13.370 -6.502 -3.774 1.00 0.00 N ATOM 335 CA GLN A 743 12.360 -5.587 -4.293 1.00 0.00 C ATOM 336 C GLN A 743 10.958 -6.052 -3.924 1.00 0.00 C ATOM 337 O GLN A 743 10.101 -5.245 -3.570 1.00 0.00 O ATOM 338 CB GLN A 743 12.482 -5.464 -5.810 1.00 0.00 C ATOM 339 CG GLN A 743 13.558 -4.488 -6.259 1.00 0.00 C ATOM 340 CD GLN A 743 13.013 -3.381 -7.140 1.00 0.00 C ATOM 341 OE1 GLN A 743 13.610 -3.032 -8.159 1.00 0.00 O ATOM 342 NE2 GLN A 743 11.874 -2.821 -6.750 1.00 0.00 N ATOM 0 H GLN A 743 13.969 -6.918 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 743 12.530 -4.610 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.697 -6.447 -6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.523 -5.147 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 743 14.033 -4.048 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 743 14.332 -5.031 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.413 -3.142 -5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 743 11.460 -2.070 -7.302 1.00 0.00 H new ATOM 351 N SER A 744 10.730 -7.358 -4.004 1.00 0.00 N ATOM 352 CA SER A 744 9.429 -7.927 -3.670 1.00 0.00 C ATOM 353 C SER A 744 9.012 -7.498 -2.268 1.00 0.00 C ATOM 354 O SER A 744 7.856 -7.145 -2.027 1.00 0.00 O ATOM 355 CB SER A 744 9.473 -9.454 -3.761 1.00 0.00 C ATOM 356 OG SER A 744 10.730 -9.954 -3.339 1.00 0.00 O ATOM 0 H SER A 744 11.428 -8.042 -4.297 1.00 0.00 H new ATOM 0 HA SER A 744 8.695 -7.557 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.682 -9.881 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.280 -9.766 -4.787 1.00 0.00 H new ATOM 0 HG SER A 744 11.330 -10.025 -4.111 1.00 0.00 H new ATOM 362 N LYS A 745 9.976 -7.506 -1.354 1.00 0.00 N ATOM 363 CA LYS A 745 9.726 -7.096 0.017 1.00 0.00 C ATOM 364 C LYS A 745 9.418 -5.608 0.048 1.00 0.00 C ATOM 365 O LYS A 745 8.593 -5.144 0.834 1.00 0.00 O ATOM 366 CB LYS A 745 10.936 -7.407 0.899 1.00 0.00 C ATOM 367 CG LYS A 745 11.183 -8.895 1.088 1.00 0.00 C ATOM 368 CD LYS A 745 12.587 -9.167 1.603 1.00 0.00 C ATOM 369 CE LYS A 745 12.604 -9.342 3.113 1.00 0.00 C ATOM 370 NZ LYS A 745 12.260 -8.078 3.822 1.00 0.00 N ATOM 0 H LYS A 745 10.937 -7.792 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 745 8.872 -7.650 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.823 -6.953 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.793 -6.944 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.453 -9.300 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.036 -9.412 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.982 -10.065 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 745 13.244 -8.343 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.897 -10.121 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 745 13.592 -9.678 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 12.540 -8.153 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 12.765 -7.283 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 11.235 -7.914 3.761 1.00 0.00 H new ATOM 384 N PHE A 746 10.085 -4.868 -0.832 1.00 0.00 N ATOM 385 CA PHE A 746 9.885 -3.433 -0.931 1.00 0.00 C ATOM 386 C PHE A 746 8.489 -3.143 -1.457 1.00 0.00 C ATOM 387 O PHE A 746 7.824 -2.215 -1.002 1.00 0.00 O ATOM 388 CB PHE A 746 10.937 -2.811 -1.851 1.00 0.00 C ATOM 389 CG PHE A 746 10.913 -1.308 -1.859 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.066 -0.596 -0.680 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.739 -0.608 -3.043 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.045 0.787 -0.681 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.717 0.775 -3.049 1.00 0.00 C ATOM 394 CZ PHE A 746 10.871 1.473 -1.867 1.00 0.00 C ATOM 0 H PHE A 746 10.770 -5.243 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 746 9.990 -2.993 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.926 -3.149 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.781 -3.174 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.203 -1.127 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.619 -1.148 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.165 1.330 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.579 1.309 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.855 2.553 -1.870 1.00 0.00 H new ATOM 404 N GLU A 747 8.043 -3.959 -2.407 1.00 0.00 N ATOM 405 CA GLU A 747 6.714 -3.804 -2.979 1.00 0.00 C ATOM 406 C GLU A 747 5.661 -3.985 -1.896 1.00 0.00 C ATOM 407 O GLU A 747 4.708 -3.212 -1.800 1.00 0.00 O ATOM 408 CB GLU A 747 6.492 -4.817 -4.105 1.00 0.00 C ATOM 409 CG GLU A 747 7.261 -4.493 -5.375 1.00 0.00 C ATOM 410 CD GLU A 747 6.371 -3.935 -6.468 1.00 0.00 C ATOM 411 OE1 GLU A 747 6.037 -2.733 -6.407 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.009 -4.699 -7.387 1.00 0.00 O ATOM 0 H GLU A 747 8.583 -4.732 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 747 6.628 -2.801 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.785 -5.807 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.428 -4.863 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 747 8.045 -3.772 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.753 -5.395 -5.738 1.00 0.00 H new ATOM 419 N GLU A 748 5.851 -5.012 -1.074 1.00 0.00 N ATOM 420 CA GLU A 748 4.931 -5.304 0.018 1.00 0.00 C ATOM 421 C GLU A 748 4.933 -4.176 1.043 1.00 0.00 C ATOM 422 O GLU A 748 3.882 -3.767 1.536 1.00 0.00 O ATOM 423 CB GLU A 748 5.313 -6.621 0.694 1.00 0.00 C ATOM 424 CG GLU A 748 4.587 -7.830 0.127 1.00 0.00 C ATOM 425 CD GLU A 748 5.538 -8.887 -0.403 1.00 0.00 C ATOM 426 OE1 GLU A 748 6.287 -9.471 0.407 1.00 0.00 O ATOM 427 OE2 GLU A 748 5.532 -9.129 -1.628 1.00 0.00 O ATOM 0 H GLU A 748 6.637 -5.658 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 748 3.927 -5.394 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.388 -6.773 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.100 -6.547 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.958 -8.268 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 748 3.924 -7.507 -0.676 1.00 0.00 H new ATOM 434 N HIS A 749 6.123 -3.673 1.351 1.00 0.00 N ATOM 435 CA HIS A 749 6.272 -2.584 2.310 1.00 0.00 C ATOM 436 C HIS A 749 5.614 -1.323 1.768 1.00 0.00 C ATOM 437 O HIS A 749 4.814 -0.682 2.451 1.00 0.00 O ATOM 438 CB HIS A 749 7.762 -2.357 2.599 1.00 0.00 C ATOM 439 CG HIS A 749 8.109 -0.967 3.040 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.236 -0.590 4.358 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.380 0.141 2.305 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.574 0.705 4.381 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.675 1.194 3.163 1.00 0.00 N ATOM 0 H HIS A 749 7.001 -4.003 0.950 1.00 0.00 H new ATOM 0 HA HIS A 749 5.777 -2.845 3.246 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.080 -3.058 3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.332 -2.592 1.700 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.097 -1.190 5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.368 0.196 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.742 1.275 5.283 1.00 0.00 H new ATOM 451 N VAL A 750 5.938 -0.989 0.529 1.00 0.00 N ATOM 452 CA VAL A 750 5.365 0.177 -0.125 1.00 0.00 C ATOM 453 C VAL A 750 3.848 0.041 -0.193 1.00 0.00 C ATOM 454 O VAL A 750 3.112 0.998 0.045 1.00 0.00 O ATOM 455 CB VAL A 750 5.928 0.346 -1.549 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.277 1.524 -2.262 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.440 0.511 -1.509 1.00 0.00 C ATOM 0 H VAL A 750 6.598 -1.512 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 750 5.631 1.057 0.460 1.00 0.00 H new ATOM 0 HB VAL A 750 5.693 -0.557 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.694 1.618 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.202 1.359 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.468 2.439 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.820 0.629 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.694 1.393 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.890 -0.371 -1.053 1.00 0.00 H new ATOM 467 N GLU A 751 3.389 -1.165 -0.515 1.00 0.00 N ATOM 468 CA GLU A 751 1.963 -1.444 -0.608 1.00 0.00 C ATOM 469 C GLU A 751 1.322 -1.441 0.775 1.00 0.00 C ATOM 470 O GLU A 751 0.132 -1.166 0.919 1.00 0.00 O ATOM 471 CB GLU A 751 1.729 -2.793 -1.288 1.00 0.00 C ATOM 472 CG GLU A 751 2.178 -2.830 -2.740 1.00 0.00 C ATOM 473 CD GLU A 751 2.571 -4.223 -3.194 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.204 -5.197 -2.506 1.00 0.00 O ATOM 475 OE2 GLU A 751 3.247 -4.337 -4.239 1.00 0.00 O ATOM 0 H GLU A 751 3.988 -1.966 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 751 1.501 -0.660 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.259 -3.567 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.668 -3.036 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.373 -2.459 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.025 -2.157 -2.872 1.00 0.00 H new ATOM 482 N SER A 752 2.119 -1.745 1.796 1.00 0.00 N ATOM 483 CA SER A 752 1.625 -1.769 3.167 1.00 0.00 C ATOM 484 C SER A 752 1.006 -0.423 3.529 1.00 0.00 C ATOM 485 O SER A 752 -0.017 -0.360 4.212 1.00 0.00 O ATOM 486 CB SER A 752 2.759 -2.109 4.137 1.00 0.00 C ATOM 487 OG SER A 752 2.471 -3.291 4.864 1.00 0.00 O ATOM 0 H SER A 752 3.107 -1.977 1.699 1.00 0.00 H new ATOM 0 HA SER A 752 0.858 -2.539 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.689 -2.236 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.911 -1.281 4.829 1.00 0.00 H new ATOM 0 HG SER A 752 3.211 -3.488 5.475 1.00 0.00 H new ATOM 493 N HIS A 753 1.635 0.650 3.062 1.00 0.00 N ATOM 494 CA HIS A 753 1.145 2.001 3.330 1.00 0.00 C ATOM 495 C HIS A 753 -0.120 2.296 2.529 1.00 0.00 C ATOM 496 O HIS A 753 -0.918 3.154 2.907 1.00 0.00 O ATOM 497 CB HIS A 753 2.213 3.039 2.981 1.00 0.00 C ATOM 498 CG HIS A 753 3.562 2.742 3.555 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.964 3.141 4.808 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.616 2.080 3.015 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.223 2.722 4.989 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.665 2.071 3.931 1.00 0.00 N ATOM 0 H HIS A 753 2.483 0.613 2.497 1.00 0.00 H new ATOM 0 HA HIS A 753 0.913 2.060 4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.298 3.107 1.896 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.885 4.016 3.337 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.403 3.664 5.480 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.638 1.632 2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.801 2.895 5.885 1.00 0.00 H new ATOM 510 N TRP A 754 -0.293 1.591 1.415 1.00 0.00 N ATOM 511 CA TRP A 754 -1.456 1.788 0.556 1.00 0.00 C ATOM 512 C TRP A 754 -2.736 1.334 1.245 1.00 0.00 C ATOM 513 O TRP A 754 -2.707 0.507 2.156 1.00 0.00 O ATOM 514 CB TRP A 754 -1.281 1.026 -0.757 1.00 0.00 C ATOM 515 CG TRP A 754 -0.336 1.689 -1.707 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.734 2.470 -1.388 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.379 1.631 -3.136 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.360 2.904 -2.532 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.695 2.401 -3.619 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.221 1.000 -4.052 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.947 2.558 -4.978 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.972 1.156 -5.403 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.106 1.929 -5.855 1.00 0.00 C ATOM 0 H TRP A 754 0.358 0.878 1.086 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.537 2.855 0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.920 0.021 -0.540 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.253 0.919 -1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.045 2.713 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.185 3.503 -2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.052 0.400 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.776 3.155 -5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.619 0.674 -6.122 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.276 2.030 -6.917 1.00 0.00 H new ATOM 534 N LYS A 755 -3.863 1.871 0.787 1.00 0.00 N ATOM 535 CA LYS A 755 -5.162 1.511 1.340 1.00 0.00 C ATOM 536 C LYS A 755 -5.655 0.231 0.684 1.00 0.00 C ATOM 537 O LYS A 755 -5.902 0.204 -0.515 1.00 0.00 O ATOM 538 CB LYS A 755 -6.166 2.643 1.111 1.00 0.00 C ATOM 539 CG LYS A 755 -6.093 3.743 2.158 1.00 0.00 C ATOM 540 CD LYS A 755 -6.034 5.120 1.514 1.00 0.00 C ATOM 541 CE LYS A 755 -6.762 6.159 2.351 1.00 0.00 C ATOM 542 NZ LYS A 755 -6.574 7.535 1.814 1.00 0.00 N ATOM 0 H LYS A 755 -3.901 2.558 0.034 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.063 1.349 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.992 3.078 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.174 2.227 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.963 3.683 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.213 3.594 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -4.994 5.419 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.478 5.077 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.826 5.922 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.399 6.117 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -7.086 8.214 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.561 7.771 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -6.944 7.582 0.843 1.00 0.00 H new ATOM 556 N VAL A 756 -5.773 -0.836 1.464 1.00 0.00 N ATOM 557 CA VAL A 756 -6.211 -2.114 0.919 1.00 0.00 C ATOM 558 C VAL A 756 -7.478 -2.626 1.586 1.00 0.00 C ATOM 559 O VAL A 756 -7.605 -2.614 2.811 1.00 0.00 O ATOM 560 CB VAL A 756 -5.110 -3.180 1.050 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.516 -4.466 0.345 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.803 -2.650 0.492 1.00 0.00 C ATOM 0 H VAL A 756 -5.574 -0.843 2.464 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.426 -1.935 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.971 -3.408 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.722 -5.205 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.433 -4.852 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.684 -4.264 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.030 -3.412 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.933 -2.397 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.506 -1.759 1.045 1.00 0.00 H new ATOM 572 N CYS A 757 -8.404 -3.091 0.758 1.00 0.00 N ATOM 573 CA CYS A 757 -9.666 -3.636 1.238 1.00 0.00 C ATOM 574 C CYS A 757 -9.457 -5.050 1.781 1.00 0.00 C ATOM 575 O CYS A 757 -8.840 -5.887 1.123 1.00 0.00 O ATOM 576 CB CYS A 757 -10.693 -3.647 0.106 1.00 0.00 C ATOM 577 SG CYS A 757 -12.346 -4.176 0.615 1.00 0.00 S ATOM 0 H CYS A 757 -8.303 -3.101 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.040 -3.006 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.759 -2.646 -0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.339 -4.308 -0.685 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.605 -5.343 0.104 1.00 0.00 H new ATOM 582 N PRO A 758 -9.950 -5.334 3.000 1.00 0.00 N ATOM 583 CA PRO A 758 -9.795 -6.645 3.627 1.00 0.00 C ATOM 584 C PRO A 758 -10.901 -7.631 3.258 1.00 0.00 C ATOM 585 O PRO A 758 -10.833 -8.807 3.617 1.00 0.00 O ATOM 586 CB PRO A 758 -9.866 -6.301 5.111 1.00 0.00 C ATOM 587 CG PRO A 758 -10.806 -5.143 5.182 1.00 0.00 C ATOM 588 CD PRO A 758 -10.684 -4.398 3.872 1.00 0.00 C ATOM 0 HA PRO A 758 -8.879 -7.143 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.231 -7.145 5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.884 -6.040 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.829 -5.485 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.556 -4.493 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.662 -4.151 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.144 -3.459 3.995 1.00 0.00 H new ATOM 596 N MET A 759 -11.921 -7.155 2.551 1.00 0.00 N ATOM 597 CA MET A 759 -13.032 -8.013 2.158 1.00 0.00 C ATOM 598 C MET A 759 -12.749 -8.727 0.838 1.00 0.00 C ATOM 599 O MET A 759 -13.277 -9.810 0.584 1.00 0.00 O ATOM 600 CB MET A 759 -14.315 -7.192 2.043 1.00 0.00 C ATOM 601 CG MET A 759 -14.700 -6.487 3.333 1.00 0.00 C ATOM 602 SD MET A 759 -16.066 -7.295 4.189 1.00 0.00 S ATOM 603 CE MET A 759 -15.746 -6.795 5.879 1.00 0.00 C ATOM 0 H MET A 759 -12.001 -6.187 2.241 1.00 0.00 H new ATOM 0 HA MET A 759 -13.156 -8.772 2.930 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.192 -6.449 1.255 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.131 -7.848 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.834 -6.450 3.994 1.00 0.00 H new ATOM 0 HG3 MET A 759 -14.975 -5.456 3.110 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.384 -7.651 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.993 -6.007 5.889 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.666 -6.422 6.329 1.00 0.00 H new ATOM 613 N CYS A 760 -11.914 -8.120 0.001 1.00 0.00 N ATOM 614 CA CYS A 760 -11.570 -8.713 -1.290 1.00 0.00 C ATOM 615 C CYS A 760 -10.055 -8.748 -1.507 1.00 0.00 C ATOM 616 O CYS A 760 -9.546 -9.617 -2.217 1.00 0.00 O ATOM 617 CB CYS A 760 -12.244 -7.947 -2.427 1.00 0.00 C ATOM 618 SG CYS A 760 -11.594 -6.283 -2.680 1.00 0.00 S ATOM 0 H CYS A 760 -11.465 -7.224 0.190 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.934 -9.740 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.130 -8.514 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.313 -7.881 -2.223 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.484 -5.409 -2.314 1.00 0.00 H new ATOM 623 N SER A 761 -9.344 -7.801 -0.888 1.00 0.00 N ATOM 624 CA SER A 761 -7.884 -7.710 -0.995 1.00 0.00 C ATOM 625 C SER A 761 -7.453 -6.844 -2.179 1.00 0.00 C ATOM 626 O SER A 761 -6.528 -7.196 -2.913 1.00 0.00 O ATOM 627 CB SER A 761 -7.251 -9.101 -1.107 1.00 0.00 C ATOM 628 OG SER A 761 -7.910 -10.031 -0.265 1.00 0.00 O ATOM 0 H SER A 761 -9.761 -7.079 -0.301 1.00 0.00 H new ATOM 0 HA SER A 761 -7.529 -7.234 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.299 -9.444 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.196 -9.047 -0.838 1.00 0.00 H new ATOM 0 HG SER A 761 -8.611 -10.492 -0.772 1.00 0.00 H new ATOM 634 N GLU A 762 -8.109 -5.699 -2.347 1.00 0.00 N ATOM 635 CA GLU A 762 -7.770 -4.775 -3.427 1.00 0.00 C ATOM 636 C GLU A 762 -6.801 -3.719 -2.924 1.00 0.00 C ATOM 637 O GLU A 762 -6.854 -3.332 -1.757 1.00 0.00 O ATOM 638 CB GLU A 762 -9.028 -4.101 -3.982 1.00 0.00 C ATOM 639 CG GLU A 762 -9.124 -4.147 -5.498 1.00 0.00 C ATOM 640 CD GLU A 762 -8.334 -3.039 -6.166 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.296 -1.920 -5.611 1.00 0.00 O ATOM 642 OE2 GLU A 762 -7.756 -3.289 -7.243 1.00 0.00 O ATOM 0 H GLU A 762 -8.877 -5.389 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.299 -5.345 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.907 -4.584 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.047 -3.061 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -8.761 -5.112 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.170 -4.072 -5.795 1.00 0.00 H new ATOM 649 N GLN A 763 -5.916 -3.251 -3.796 1.00 0.00 N ATOM 650 CA GLN A 763 -4.953 -2.239 -3.396 1.00 0.00 C ATOM 651 C GLN A 763 -5.322 -0.877 -3.967 1.00 0.00 C ATOM 652 O GLN A 763 -5.594 -0.735 -5.160 1.00 0.00 O ATOM 653 CB GLN A 763 -3.550 -2.632 -3.862 1.00 0.00 C ATOM 654 CG GLN A 763 -2.742 -3.368 -2.806 1.00 0.00 C ATOM 655 CD GLN A 763 -1.279 -2.969 -2.810 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.399 -3.800 -3.038 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.011 -1.692 -2.558 1.00 0.00 N ATOM 0 H GLN A 763 -5.847 -3.551 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.967 -2.172 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.634 -3.262 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.010 -1.733 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.167 -3.167 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.823 -4.442 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.772 -1.038 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.045 -1.366 -2.548 1.00 0.00 H new ATOM 666 N PHE A 764 -5.313 0.120 -3.097 1.00 0.00 N ATOM 667 CA PHE A 764 -5.627 1.490 -3.478 1.00 0.00 C ATOM 668 C PHE A 764 -4.432 2.410 -3.218 1.00 0.00 C ATOM 669 O PHE A 764 -3.947 2.494 -2.086 1.00 0.00 O ATOM 670 CB PHE A 764 -6.852 1.990 -2.710 1.00 0.00 C ATOM 671 CG PHE A 764 -8.093 1.185 -2.977 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.325 -0.003 -2.303 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.028 1.618 -3.906 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.463 -0.745 -2.548 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.169 0.879 -4.155 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.387 -0.303 -3.474 1.00 0.00 C ATOM 0 H PHE A 764 -5.089 0.004 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.851 1.505 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.636 1.968 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.039 3.031 -2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.606 -0.353 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.863 2.542 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.630 -1.670 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.889 1.225 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.279 -0.881 -3.666 1.00 0.00 H new ATOM 686 N PRO A 765 -3.939 3.118 -4.251 1.00 0.00 N ATOM 687 CA PRO A 765 -2.798 4.029 -4.102 1.00 0.00 C ATOM 688 C PRO A 765 -3.068 5.119 -3.068 1.00 0.00 C ATOM 689 O PRO A 765 -4.219 5.424 -2.761 1.00 0.00 O ATOM 690 CB PRO A 765 -2.638 4.644 -5.496 1.00 0.00 C ATOM 691 CG PRO A 765 -3.303 3.680 -6.416 1.00 0.00 C ATOM 692 CD PRO A 765 -4.442 3.091 -5.635 1.00 0.00 C ATOM 0 HA PRO A 765 -1.906 3.510 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.104 5.628 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.587 4.775 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.663 4.181 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.608 2.905 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.354 3.678 -5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.674 2.077 -5.961 1.00 0.00 H new ATOM 700 N PRO A 766 -2.002 5.722 -2.515 1.00 0.00 N ATOM 701 CA PRO A 766 -2.126 6.782 -1.508 1.00 0.00 C ATOM 702 C PRO A 766 -2.777 8.041 -2.068 1.00 0.00 C ATOM 703 O PRO A 766 -3.359 8.833 -1.327 1.00 0.00 O ATOM 704 CB PRO A 766 -0.677 7.063 -1.100 1.00 0.00 C ATOM 705 CG PRO A 766 0.143 6.595 -2.252 1.00 0.00 C ATOM 706 CD PRO A 766 -0.594 5.418 -2.826 1.00 0.00 C ATOM 0 HA PRO A 766 -2.763 6.479 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.519 8.124 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.414 6.531 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.260 7.384 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.144 6.310 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.429 5.324 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.274 4.481 -2.371 1.00 0.00 H new ATOM 714 N ASP A 767 -2.680 8.219 -3.382 1.00 0.00 N ATOM 715 CA ASP A 767 -3.264 9.383 -4.039 1.00 0.00 C ATOM 716 C ASP A 767 -4.756 9.177 -4.294 1.00 0.00 C ATOM 717 O ASP A 767 -5.471 10.120 -4.636 1.00 0.00 O ATOM 718 CB ASP A 767 -2.544 9.663 -5.360 1.00 0.00 C ATOM 719 CG ASP A 767 -1.106 10.095 -5.154 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.889 11.173 -4.562 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.196 9.356 -5.586 1.00 0.00 O ATOM 0 H ASP A 767 -2.203 7.573 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.143 10.240 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.566 8.767 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.080 10.440 -5.905 1.00 0.00 H new ATOM 726 N TYR A 768 -5.223 7.941 -4.127 1.00 0.00 N ATOM 727 CA TYR A 768 -6.629 7.619 -4.339 1.00 0.00 C ATOM 728 C TYR A 768 -7.513 8.361 -3.343 1.00 0.00 C ATOM 729 O TYR A 768 -7.039 8.842 -2.314 1.00 0.00 O ATOM 730 CB TYR A 768 -6.852 6.111 -4.204 1.00 0.00 C ATOM 731 CG TYR A 768 -7.916 5.571 -5.131 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.709 5.518 -6.503 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.128 5.112 -4.631 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.681 5.024 -7.353 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.106 4.616 -5.474 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.877 4.575 -6.833 1.00 0.00 C ATOM 737 OH TYR A 768 -10.847 4.082 -7.675 1.00 0.00 O ATOM 0 H TYR A 768 -4.647 7.148 -3.846 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.900 7.935 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.913 5.594 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.130 5.884 -3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.773 5.868 -6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.310 5.143 -3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.505 4.990 -8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.043 4.263 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.516 3.593 -7.152 1.00 0.00 H new ATOM 747 N ASP A 769 -8.802 8.447 -3.654 1.00 0.00 N ATOM 748 CA ASP A 769 -9.754 9.126 -2.784 1.00 0.00 C ATOM 749 C ASP A 769 -10.309 8.161 -1.741 1.00 0.00 C ATOM 750 O ASP A 769 -10.877 7.123 -2.082 1.00 0.00 O ATOM 751 CB ASP A 769 -10.896 9.723 -3.610 1.00 0.00 C ATOM 752 CG ASP A 769 -10.892 11.238 -3.592 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.025 11.838 -4.261 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.755 11.827 -2.906 1.00 0.00 O ATOM 0 H ASP A 769 -9.211 8.055 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.234 9.933 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.817 9.375 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.848 9.360 -3.223 1.00 0.00 H new ATOM 759 N GLN A 770 -10.141 8.509 -0.469 1.00 0.00 N ATOM 760 CA GLN A 770 -10.625 7.671 0.622 1.00 0.00 C ATOM 761 C GLN A 770 -12.120 7.405 0.482 1.00 0.00 C ATOM 762 O GLN A 770 -12.607 6.335 0.848 1.00 0.00 O ATOM 763 CB GLN A 770 -10.336 8.332 1.971 1.00 0.00 C ATOM 764 CG GLN A 770 -10.792 7.508 3.163 1.00 0.00 C ATOM 765 CD GLN A 770 -9.650 6.763 3.827 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.681 7.368 4.286 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.759 5.440 3.882 1.00 0.00 N ATOM 0 H GLN A 770 -9.674 9.365 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.099 6.718 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.265 8.514 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.828 9.304 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.267 8.164 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.548 6.793 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.580 4.979 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -9.022 4.885 4.317 1.00 0.00 H new ATOM 776 N GLN A 771 -12.844 8.381 -0.055 1.00 0.00 N ATOM 777 CA GLN A 771 -14.282 8.243 -0.247 1.00 0.00 C ATOM 778 C GLN A 771 -14.587 7.065 -1.165 1.00 0.00 C ATOM 779 O GLN A 771 -15.464 6.249 -0.880 1.00 0.00 O ATOM 780 CB GLN A 771 -14.867 9.533 -0.831 1.00 0.00 C ATOM 781 CG GLN A 771 -15.692 10.333 0.164 1.00 0.00 C ATOM 782 CD GLN A 771 -15.558 11.830 -0.038 1.00 0.00 C ATOM 783 OE1 GLN A 771 -14.934 12.523 0.766 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.146 12.337 -1.116 1.00 0.00 N ATOM 0 H GLN A 771 -12.460 9.274 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.743 8.056 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.053 10.157 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.491 9.283 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.741 10.050 0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -15.381 10.077 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.653 11.725 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.091 13.338 -1.304 1.00 0.00 H new ATOM 793 N VAL A 772 -13.846 6.978 -2.265 1.00 0.00 N ATOM 794 CA VAL A 772 -14.026 5.894 -3.222 1.00 0.00 C ATOM 795 C VAL A 772 -13.623 4.562 -2.604 1.00 0.00 C ATOM 796 O VAL A 772 -14.290 3.546 -2.797 1.00 0.00 O ATOM 797 CB VAL A 772 -13.201 6.127 -4.502 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.562 5.102 -5.566 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.409 7.541 -5.021 1.00 0.00 C ATOM 0 H VAL A 772 -13.116 7.645 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.083 5.871 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.146 6.005 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.969 5.283 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.355 4.100 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.621 5.187 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.818 7.687 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.464 7.694 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.094 8.257 -4.262 1.00 0.00 H new ATOM 809 N PHE A 773 -12.531 4.576 -1.851 1.00 0.00 N ATOM 810 CA PHE A 773 -12.050 3.369 -1.198 1.00 0.00 C ATOM 811 C PHE A 773 -13.052 2.893 -0.152 1.00 0.00 C ATOM 812 O PHE A 773 -13.459 1.732 -0.151 1.00 0.00 O ATOM 813 CB PHE A 773 -10.693 3.621 -0.539 1.00 0.00 C ATOM 814 CG PHE A 773 -10.244 2.495 0.349 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.241 1.188 -0.114 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.835 2.744 1.648 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.836 0.151 0.704 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.428 1.710 2.471 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.430 0.412 1.998 1.00 0.00 C ATOM 0 H PHE A 773 -11.965 5.407 -1.679 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.936 2.594 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.945 3.783 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.747 4.538 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.559 0.978 -1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.834 3.757 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.837 -0.863 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.109 1.917 3.482 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.114 -0.398 2.639 1.00 0.00 H new ATOM 829 N GLU A 774 -13.446 3.801 0.736 1.00 0.00 N ATOM 830 CA GLU A 774 -14.401 3.472 1.786 1.00 0.00 C ATOM 831 C GLU A 774 -15.694 2.934 1.189 1.00 0.00 C ATOM 832 O GLU A 774 -16.312 2.028 1.744 1.00 0.00 O ATOM 833 CB GLU A 774 -14.689 4.697 2.654 1.00 0.00 C ATOM 834 CG GLU A 774 -13.597 4.993 3.669 1.00 0.00 C ATOM 835 CD GLU A 774 -14.087 4.892 5.102 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.763 3.894 5.429 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.794 5.810 5.895 1.00 0.00 O ATOM 0 H GLU A 774 -13.119 4.767 0.749 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.961 2.697 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.820 5.566 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.631 4.546 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.771 4.297 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.205 5.995 3.493 1.00 0.00 H new ATOM 844 N ARG A 775 -16.096 3.485 0.047 1.00 0.00 N ATOM 845 CA ARG A 775 -17.310 3.034 -0.619 1.00 0.00 C ATOM 846 C ARG A 775 -17.122 1.605 -1.124 1.00 0.00 C ATOM 847 O ARG A 775 -18.032 0.778 -1.041 1.00 0.00 O ATOM 848 CB ARG A 775 -17.701 3.996 -1.757 1.00 0.00 C ATOM 849 CG ARG A 775 -17.149 3.631 -3.130 1.00 0.00 C ATOM 850 CD ARG A 775 -18.208 2.974 -4.003 1.00 0.00 C ATOM 851 NE ARG A 775 -18.695 3.875 -5.045 1.00 0.00 N ATOM 852 CZ ARG A 775 -19.308 3.466 -6.153 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.517 2.173 -6.366 1.00 0.00 N ATOM 854 NH2 ARG A 775 -19.717 4.354 -7.050 1.00 0.00 N ATOM 0 H ARG A 775 -15.602 4.238 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.132 3.036 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.788 4.038 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.358 4.998 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.776 4.529 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.302 2.955 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.793 2.078 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -19.044 2.654 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 775 -18.557 4.877 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.207 1.486 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -19.987 1.866 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -19.561 5.349 -6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -20.187 4.041 -7.900 1.00 0.00 H new ATOM 868 N HIS A 776 -15.926 1.321 -1.635 1.00 0.00 N ATOM 869 CA HIS A 776 -15.604 -0.008 -2.142 1.00 0.00 C ATOM 870 C HIS A 776 -15.549 -1.013 -0.998 1.00 0.00 C ATOM 871 O HIS A 776 -16.134 -2.091 -1.078 1.00 0.00 O ATOM 872 CB HIS A 776 -14.262 0.020 -2.883 1.00 0.00 C ATOM 873 CG HIS A 776 -13.571 -1.310 -2.940 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.624 -2.158 -4.023 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.796 -1.935 -2.015 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.900 -3.246 -3.729 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.376 -3.157 -2.524 1.00 0.00 N ATOM 0 H HIS A 776 -15.164 1.995 -1.708 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.385 -0.313 -2.838 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.427 0.376 -3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.604 0.740 -2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.126 -1.988 -4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.547 -1.544 -1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.764 -4.086 -4.393 1.00 0.00 H new ATOM 885 N VAL A 777 -14.845 -0.655 0.069 1.00 0.00 N ATOM 886 CA VAL A 777 -14.734 -1.537 1.221 1.00 0.00 C ATOM 887 C VAL A 777 -16.102 -1.722 1.860 1.00 0.00 C ATOM 888 O VAL A 777 -16.539 -2.846 2.103 1.00 0.00 O ATOM 889 CB VAL A 777 -13.752 -1.005 2.283 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.195 -2.154 3.109 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.622 -0.216 1.643 1.00 0.00 C ATOM 0 H VAL A 777 -14.348 0.231 0.159 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.346 -2.488 0.857 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.300 -0.331 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.503 -1.764 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.013 -2.673 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.669 -2.850 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.946 0.146 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.073 -0.859 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.034 0.632 1.096 1.00 0.00 H new ATOM 901 N GLN A 778 -16.778 -0.602 2.109 1.00 0.00 N ATOM 902 CA GLN A 778 -18.111 -0.619 2.702 1.00 0.00 C ATOM 903 C GLN A 778 -19.060 -1.457 1.855 1.00 0.00 C ATOM 904 O GLN A 778 -19.976 -2.094 2.374 1.00 0.00 O ATOM 905 CB GLN A 778 -18.652 0.804 2.831 1.00 0.00 C ATOM 906 CG GLN A 778 -18.069 1.577 4.004 1.00 0.00 C ATOM 907 CD GLN A 778 -18.220 0.839 5.319 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.195 1.033 6.045 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.251 -0.013 5.631 1.00 0.00 N ATOM 0 H GLN A 778 -16.421 0.332 1.908 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.039 -1.063 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.443 1.347 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.736 0.763 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.012 1.770 3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.562 2.547 4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.461 -0.141 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.296 -0.539 6.504 1.00 0.00 H new ATOM 918 N THR A 779 -18.825 -1.458 0.546 1.00 0.00 N ATOM 919 CA THR A 779 -19.650 -2.223 -0.378 1.00 0.00 C ATOM 920 C THR A 779 -19.612 -3.707 -0.023 1.00 0.00 C ATOM 921 O THR A 779 -20.539 -4.457 -0.330 1.00 0.00 O ATOM 922 CB THR A 779 -19.173 -1.991 -1.819 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.684 -0.770 -2.323 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.572 -3.084 -2.789 1.00 0.00 C ATOM 0 H THR A 779 -18.069 -0.936 0.103 1.00 0.00 H new ATOM 0 HA THR A 779 -20.683 -1.884 -0.296 1.00 0.00 H new ATOM 0 HB THR A 779 -18.085 -1.979 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.390 -0.031 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.196 -2.843 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.149 -4.034 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.659 -3.163 -2.821 1.00 0.00 H new ATOM 932 N HIS A 780 -18.529 -4.122 0.626 1.00 0.00 N ATOM 933 CA HIS A 780 -18.355 -5.512 1.025 1.00 0.00 C ATOM 934 C HIS A 780 -19.107 -5.829 2.320 1.00 0.00 C ATOM 935 O HIS A 780 -19.264 -6.995 2.682 1.00 0.00 O ATOM 936 CB HIS A 780 -16.869 -5.814 1.197 1.00 0.00 C ATOM 937 CG HIS A 780 -16.114 -5.814 -0.095 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.184 -6.829 -1.022 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.268 -4.887 -0.616 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.398 -6.497 -2.055 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.820 -5.328 -1.858 1.00 0.00 N ATOM 0 H HIS A 780 -17.755 -3.511 0.887 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.771 -6.142 0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.430 -5.075 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.756 -6.786 1.677 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.736 -7.682 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.988 -3.957 -0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.256 -7.107 -2.935 1.00 0.00 H new ATOM 949 N PHE A 781 -19.573 -4.793 3.014 1.00 0.00 N ATOM 950 CA PHE A 781 -20.306 -4.980 4.262 1.00 0.00 C ATOM 951 C PHE A 781 -21.808 -5.039 4.006 1.00 0.00 C ATOM 952 O PHE A 781 -22.556 -5.649 4.770 1.00 0.00 O ATOM 953 CB PHE A 781 -19.990 -3.852 5.248 1.00 0.00 C ATOM 954 CG PHE A 781 -18.528 -3.717 5.556 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.652 -3.247 4.596 1.00 0.00 C ATOM 956 CD2 PHE A 781 -18.031 -4.056 6.804 1.00 0.00 C ATOM 957 CE1 PHE A 781 -16.305 -3.115 4.869 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.684 -3.928 7.085 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.819 -3.457 6.116 1.00 0.00 C ATOM 0 H PHE A 781 -19.456 -3.819 2.734 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.989 -5.928 4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.355 -2.910 4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.534 -4.029 6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -18.026 -2.979 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.703 -4.424 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.633 -2.745 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.308 -4.196 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.766 -3.357 6.333 1.00 0.00 H new ATOM 969 N ASP A 782 -22.245 -4.398 2.925 1.00 0.00 N ATOM 970 CA ASP A 782 -23.660 -4.379 2.568 1.00 0.00 C ATOM 971 C ASP A 782 -24.001 -5.509 1.598 1.00 0.00 C ATOM 972 O ASP A 782 -24.975 -5.422 0.850 1.00 0.00 O ATOM 973 CB ASP A 782 -24.029 -3.032 1.945 1.00 0.00 C ATOM 974 CG ASP A 782 -25.467 -2.640 2.227 1.00 0.00 C ATOM 975 OD1 ASP A 782 -26.370 -3.165 1.542 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.690 -1.808 3.132 1.00 0.00 O ATOM 0 H ASP A 782 -21.641 -3.886 2.282 1.00 0.00 H new ATOM 0 HA ASP A 782 -24.238 -4.526 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.362 -2.261 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.872 -3.078 0.867 1.00 0.00 H new