USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -119:sc= -6.28! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.4! USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.68 K(o=-13,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.45 X(o=-13,f=-13) USER MOD Set 2.1: A 730 CYS SG : rot 36:sc= -2.49 USER MOD Set 2.2: A 733 CYS SG : rot -107:sc= -1.34 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -3.4 K(o=-8.9,f=-17!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.63 K(o=-8.9,f=-14!) USER MOD Set 3.1: A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 743 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.082) USER MOD Set 4.1: A 727 HIS : no HD1:sc= -4.02! K(o=-4.2!,f=-2.5) USER MOD Set 4.2: A 736 MET CE :methyl -130:sc= -0.164 (180deg=-2.62!) USER MOD Single : A 729 LYS NZ :NH3+ 145:sc= -0.1 (180deg=-1.41!) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 741 TYR OH : rot 165:sc= -0.606 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -159:sc= -0.755 (180deg=-2.44!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -3.1 K(o=-3.1,f=-7.7!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.98 K(o=-2,f=-0.54) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -1.04 X(o=-1,f=-0.9) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.668 3.123 -1.023 1.00 0.00 N ATOM 74 CA HIS A 727 19.575 2.727 -0.144 1.00 0.00 C ATOM 75 C HIS A 727 18.223 3.055 -0.769 1.00 0.00 C ATOM 76 O HIS A 727 18.004 4.168 -1.250 1.00 0.00 O ATOM 77 CB HIS A 727 19.705 3.424 1.212 1.00 0.00 C ATOM 78 CG HIS A 727 20.537 2.665 2.197 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.110 3.249 3.307 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.891 1.359 2.236 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.781 2.335 3.986 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.663 1.180 3.357 1.00 0.00 N ATOM 0 HA HIS A 727 19.634 1.648 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.143 4.411 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.710 3.576 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.617 0.599 1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.332 2.504 4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.078 0.298 3.656 1.00 0.00 H new ATOM 91 N LYS A 728 17.320 2.080 -0.757 1.00 0.00 N ATOM 92 CA LYS A 728 15.988 2.265 -1.320 1.00 0.00 C ATOM 93 C LYS A 728 15.042 2.864 -0.286 1.00 0.00 C ATOM 94 O LYS A 728 14.751 2.243 0.736 1.00 0.00 O ATOM 95 CB LYS A 728 15.433 0.931 -1.825 1.00 0.00 C ATOM 96 CG LYS A 728 15.858 0.593 -3.243 1.00 0.00 C ATOM 97 CD LYS A 728 14.892 -0.381 -3.898 1.00 0.00 C ATOM 98 CE LYS A 728 14.904 -0.244 -5.411 1.00 0.00 C ATOM 99 NZ LYS A 728 13.548 -0.434 -5.998 1.00 0.00 N ATOM 0 H LYS A 728 17.487 1.154 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 728 16.068 2.956 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.761 0.135 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.344 0.959 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.912 1.507 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.859 0.161 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.159 -1.401 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.884 -0.203 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 728 15.282 0.741 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.589 -0.977 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.600 -0.333 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 13.197 -1.384 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 12.899 0.281 -5.612 1.00 0.00 H new ATOM 113 N LYS A 729 14.567 4.074 -0.557 1.00 0.00 N ATOM 114 CA LYS A 729 13.655 4.758 0.352 1.00 0.00 C ATOM 115 C LYS A 729 12.229 4.735 -0.189 1.00 0.00 C ATOM 116 O LYS A 729 11.969 5.201 -1.298 1.00 0.00 O ATOM 117 CB LYS A 729 14.105 6.203 0.570 1.00 0.00 C ATOM 118 CG LYS A 729 13.633 6.796 1.888 1.00 0.00 C ATOM 119 CD LYS A 729 12.768 8.029 1.672 1.00 0.00 C ATOM 120 CE LYS A 729 13.128 9.141 2.643 1.00 0.00 C ATOM 121 NZ LYS A 729 11.927 9.902 3.091 1.00 0.00 N ATOM 0 H LYS A 729 14.798 4.602 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 729 13.672 4.232 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.193 6.245 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.733 6.818 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 729 13.067 6.047 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 729 14.497 7.060 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 729 12.889 8.385 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 729 11.718 7.764 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.632 8.715 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 729 13.833 9.823 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 12.050 10.192 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 11.809 10.746 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 11.083 9.299 3.008 1.00 0.00 H new ATOM 135 N CYS A 730 11.311 4.192 0.601 1.00 0.00 N ATOM 136 CA CYS A 730 9.911 4.112 0.201 1.00 0.00 C ATOM 137 C CYS A 730 9.253 5.493 0.273 1.00 0.00 C ATOM 138 O CYS A 730 9.194 6.103 1.340 1.00 0.00 O ATOM 139 CB CYS A 730 9.165 3.114 1.090 1.00 0.00 C ATOM 140 SG CYS A 730 7.383 3.050 0.805 1.00 0.00 S ATOM 0 H CYS A 730 11.510 3.801 1.522 1.00 0.00 H new ATOM 0 HA CYS A 730 9.862 3.764 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.582 2.120 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.345 3.370 2.134 1.00 0.00 H new ATOM 0 HG CYS A 730 7.140 3.216 -0.461 1.00 0.00 H new ATOM 145 N PRO A 731 8.765 6.012 -0.870 1.00 0.00 N ATOM 146 CA PRO A 731 8.129 7.336 -0.933 1.00 0.00 C ATOM 147 C PRO A 731 6.960 7.490 0.037 1.00 0.00 C ATOM 148 O PRO A 731 6.585 8.607 0.394 1.00 0.00 O ATOM 149 CB PRO A 731 7.631 7.429 -2.378 1.00 0.00 C ATOM 150 CG PRO A 731 8.493 6.485 -3.141 1.00 0.00 C ATOM 151 CD PRO A 731 8.809 5.362 -2.194 1.00 0.00 C ATOM 0 HA PRO A 731 8.829 8.122 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.579 7.152 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.721 8.445 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 731 7.978 6.115 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.404 6.976 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.081 4.555 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.788 4.928 -2.397 1.00 0.00 H new ATOM 159 N LEU A 732 6.379 6.372 0.451 1.00 0.00 N ATOM 160 CA LEU A 732 5.243 6.398 1.367 1.00 0.00 C ATOM 161 C LEU A 732 5.681 6.654 2.806 1.00 0.00 C ATOM 162 O LEU A 732 4.897 7.135 3.624 1.00 0.00 O ATOM 163 CB LEU A 732 4.471 5.083 1.282 1.00 0.00 C ATOM 164 CG LEU A 732 3.741 4.859 -0.040 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.683 3.381 -0.384 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.345 5.452 0.028 1.00 0.00 C ATOM 0 H LEU A 732 6.673 5.437 0.169 1.00 0.00 H new ATOM 0 HA LEU A 732 4.595 7.221 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.165 4.258 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.744 5.051 2.093 1.00 0.00 H new ATOM 0 HG LEU A 732 4.296 5.363 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.158 3.248 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.696 2.988 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.153 2.845 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.833 5.287 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.785 4.973 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.413 6.522 0.222 1.00 0.00 H new ATOM 178 N CYS A 733 6.932 6.330 3.113 1.00 0.00 N ATOM 179 CA CYS A 733 7.455 6.529 4.459 1.00 0.00 C ATOM 180 C CYS A 733 8.875 7.085 4.420 1.00 0.00 C ATOM 181 O CYS A 733 9.362 7.494 3.365 1.00 0.00 O ATOM 182 CB CYS A 733 7.428 5.209 5.232 1.00 0.00 C ATOM 183 SG CYS A 733 8.521 3.939 4.555 1.00 0.00 S ATOM 0 H CYS A 733 7.599 5.931 2.453 1.00 0.00 H new ATOM 0 HA CYS A 733 6.821 7.255 4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.708 5.400 6.268 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.407 4.827 5.243 1.00 0.00 H new ATOM 0 HG CYS A 733 7.810 3.019 3.975 1.00 0.00 H new ATOM 188 N GLU A 734 9.533 7.102 5.575 1.00 0.00 N ATOM 189 CA GLU A 734 10.896 7.610 5.671 1.00 0.00 C ATOM 190 C GLU A 734 11.851 6.522 6.153 1.00 0.00 C ATOM 191 O GLU A 734 12.710 6.766 7.001 1.00 0.00 O ATOM 192 CB GLU A 734 10.946 8.809 6.620 1.00 0.00 C ATOM 193 CG GLU A 734 9.848 9.830 6.370 1.00 0.00 C ATOM 194 CD GLU A 734 9.996 11.070 7.230 1.00 0.00 C ATOM 195 OE1 GLU A 734 9.627 11.013 8.422 1.00 0.00 O ATOM 196 OE2 GLU A 734 10.483 12.096 6.713 1.00 0.00 O ATOM 0 H GLU A 734 9.144 6.770 6.457 1.00 0.00 H new ATOM 0 HA GLU A 734 11.212 7.927 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.871 8.452 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.915 9.299 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 734 9.858 10.118 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 734 8.879 9.371 6.565 1.00 0.00 H new ATOM 203 N LEU A 735 11.695 5.319 5.607 1.00 0.00 N ATOM 204 CA LEU A 735 12.544 4.195 5.982 1.00 0.00 C ATOM 205 C LEU A 735 13.551 3.880 4.879 1.00 0.00 C ATOM 206 O LEU A 735 13.211 3.880 3.697 1.00 0.00 O ATOM 207 CB LEU A 735 11.691 2.958 6.279 1.00 0.00 C ATOM 208 CG LEU A 735 12.082 2.192 7.544 1.00 0.00 C ATOM 209 CD1 LEU A 735 11.774 3.017 8.784 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.361 0.854 7.599 1.00 0.00 C ATOM 0 H LEU A 735 10.989 5.099 4.904 1.00 0.00 H new ATOM 0 HA LEU A 735 13.093 4.473 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.649 3.266 6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.753 2.280 5.428 1.00 0.00 H new ATOM 0 HG LEU A 735 13.155 2.004 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.059 2.456 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.335 3.951 8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 735 10.707 3.236 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.650 0.322 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.284 1.021 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.631 0.259 6.727 1.00 0.00 H new ATOM 222 N MET A 736 14.790 3.610 5.277 1.00 0.00 N ATOM 223 CA MET A 736 15.845 3.290 4.323 1.00 0.00 C ATOM 224 C MET A 736 16.119 1.791 4.307 1.00 0.00 C ATOM 225 O MET A 736 16.260 1.164 5.356 1.00 0.00 O ATOM 226 CB MET A 736 17.126 4.049 4.672 1.00 0.00 C ATOM 227 CG MET A 736 17.138 5.485 4.172 1.00 0.00 C ATOM 228 SD MET A 736 18.689 6.332 4.530 1.00 0.00 S ATOM 229 CE MET A 736 19.361 6.518 2.881 1.00 0.00 C ATOM 0 H MET A 736 15.088 3.606 6.253 1.00 0.00 H new ATOM 0 HA MET A 736 15.511 3.595 3.331 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.255 4.049 5.754 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.979 3.519 4.249 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.964 5.492 3.096 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.315 6.033 4.631 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.392 6.164 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.767 5.935 2.178 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.334 7.569 2.594 1.00 0.00 H new ATOM 239 N PHE A 737 16.189 1.220 3.108 1.00 0.00 N ATOM 240 CA PHE A 737 16.442 -0.208 2.959 1.00 0.00 C ATOM 241 C PHE A 737 17.839 -0.458 2.390 1.00 0.00 C ATOM 242 O PHE A 737 18.327 0.310 1.561 1.00 0.00 O ATOM 243 CB PHE A 737 15.379 -0.840 2.057 1.00 0.00 C ATOM 244 CG PHE A 737 14.004 -0.850 2.669 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.829 -1.164 4.007 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.888 -0.543 1.906 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.569 -1.173 4.573 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.623 -0.551 2.467 1.00 0.00 C ATOM 249 CZ PHE A 737 11.465 -0.866 3.803 1.00 0.00 C ATOM 0 H PHE A 737 16.074 1.723 2.228 1.00 0.00 H new ATOM 0 HA PHE A 737 16.390 -0.670 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.344 -0.296 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.672 -1.864 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.688 -1.405 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.007 -0.295 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.448 -1.420 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.761 -0.312 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.479 -0.872 4.244 1.00 0.00 H new ATOM 259 N PRO A 738 18.505 -1.539 2.836 1.00 0.00 N ATOM 260 CA PRO A 738 19.856 -1.885 2.373 1.00 0.00 C ATOM 261 C PRO A 738 19.892 -2.251 0.892 1.00 0.00 C ATOM 262 O PRO A 738 18.889 -2.685 0.326 1.00 0.00 O ATOM 263 CB PRO A 738 20.234 -3.096 3.231 1.00 0.00 C ATOM 264 CG PRO A 738 18.935 -3.671 3.677 1.00 0.00 C ATOM 265 CD PRO A 738 18.000 -2.505 3.828 1.00 0.00 C ATOM 0 HA PRO A 738 20.542 -1.044 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.811 -3.822 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.848 -2.801 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.553 -4.386 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.048 -4.206 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.967 -2.788 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.026 -2.096 4.838 1.00 0.00 H new ATOM 273 N PRO A 739 21.058 -2.081 0.241 1.00 0.00 N ATOM 274 CA PRO A 739 21.223 -2.397 -1.183 1.00 0.00 C ATOM 275 C PRO A 739 20.903 -3.856 -1.492 1.00 0.00 C ATOM 276 O PRO A 739 20.518 -4.192 -2.612 1.00 0.00 O ATOM 277 CB PRO A 739 22.706 -2.112 -1.451 1.00 0.00 C ATOM 278 CG PRO A 739 23.126 -1.190 -0.359 1.00 0.00 C ATOM 279 CD PRO A 739 22.304 -1.569 0.839 1.00 0.00 C ATOM 0 HA PRO A 739 20.545 -1.813 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.293 -3.031 -1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.849 -1.655 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.191 -1.292 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 739 22.954 -0.150 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.801 -2.326 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.118 -0.713 1.487 1.00 0.00 H new ATOM 287 N ASN A 740 21.063 -4.718 -0.494 1.00 0.00 N ATOM 288 CA ASN A 740 20.789 -6.142 -0.662 1.00 0.00 C ATOM 289 C ASN A 740 19.335 -6.472 -0.329 1.00 0.00 C ATOM 290 O ASN A 740 18.975 -7.640 -0.181 1.00 0.00 O ATOM 291 CB ASN A 740 21.727 -6.968 0.220 1.00 0.00 C ATOM 292 CG ASN A 740 23.164 -6.917 -0.257 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.813 -5.873 -0.201 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.671 -8.050 -0.730 1.00 0.00 N ATOM 0 H ASN A 740 21.381 -4.457 0.439 1.00 0.00 H new ATOM 0 HA ASN A 740 20.963 -6.394 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.674 -6.601 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.389 -8.004 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.634 -8.077 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.097 -8.893 -0.758 1.00 0.00 H new ATOM 301 N TYR A 741 18.502 -5.441 -0.212 1.00 0.00 N ATOM 302 CA TYR A 741 17.091 -5.631 0.102 1.00 0.00 C ATOM 303 C TYR A 741 16.329 -6.143 -1.116 1.00 0.00 C ATOM 304 O TYR A 741 16.457 -5.599 -2.212 1.00 0.00 O ATOM 305 CB TYR A 741 16.477 -4.318 0.590 1.00 0.00 C ATOM 306 CG TYR A 741 15.103 -4.480 1.200 1.00 0.00 C ATOM 307 CD1 TYR A 741 14.952 -4.763 2.552 1.00 0.00 C ATOM 308 CD2 TYR A 741 13.959 -4.350 0.425 1.00 0.00 C ATOM 309 CE1 TYR A 741 13.698 -4.911 3.113 1.00 0.00 C ATOM 310 CE2 TYR A 741 12.702 -4.495 0.978 1.00 0.00 C ATOM 311 CZ TYR A 741 12.576 -4.775 2.323 1.00 0.00 C ATOM 312 OH TYR A 741 11.326 -4.922 2.879 1.00 0.00 O ATOM 0 H TYR A 741 18.781 -4.467 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 741 17.015 -6.376 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.142 -3.868 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.414 -3.623 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 741 15.828 -4.869 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 741 14.053 -4.132 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 741 13.597 -5.132 4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 741 11.822 -4.390 0.361 1.00 0.00 H new ATOM 0 HH TYR A 741 10.651 -4.568 2.264 1.00 0.00 H new ATOM 322 N ASP A 742 15.537 -7.189 -0.916 1.00 0.00 N ATOM 323 CA ASP A 742 14.755 -7.773 -1.999 1.00 0.00 C ATOM 324 C ASP A 742 13.660 -6.815 -2.455 1.00 0.00 C ATOM 325 O ASP A 742 12.894 -6.299 -1.642 1.00 0.00 O ATOM 326 CB ASP A 742 14.136 -9.100 -1.553 1.00 0.00 C ATOM 327 CG ASP A 742 14.330 -10.201 -2.576 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.085 -9.947 -3.775 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.728 -11.317 -2.180 1.00 0.00 O ATOM 0 H ASP A 742 15.419 -7.650 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 742 15.425 -7.958 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.581 -9.405 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.070 -8.958 -1.373 1.00 0.00 H new ATOM 334 N GLN A 743 13.593 -6.578 -3.762 1.00 0.00 N ATOM 335 CA GLN A 743 12.593 -5.678 -4.325 1.00 0.00 C ATOM 336 C GLN A 743 11.184 -6.146 -3.982 1.00 0.00 C ATOM 337 O GLN A 743 10.314 -5.338 -3.658 1.00 0.00 O ATOM 338 CB GLN A 743 12.754 -5.584 -5.841 1.00 0.00 C ATOM 339 CG GLN A 743 13.721 -4.498 -6.283 1.00 0.00 C ATOM 340 CD GLN A 743 13.131 -3.586 -7.342 1.00 0.00 C ATOM 341 OE1 GLN A 743 13.772 -3.292 -8.351 1.00 0.00 O ATOM 342 NE2 GLN A 743 11.903 -3.135 -7.116 1.00 0.00 N ATOM 0 H GLN A 743 14.219 -6.997 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 743 12.746 -4.691 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.101 -6.545 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.779 -5.396 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 743 14.013 -3.903 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 743 14.628 -4.961 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.409 -3.405 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 743 11.453 -2.519 -7.793 1.00 0.00 H new ATOM 351 N SER A 744 10.967 -7.455 -4.048 1.00 0.00 N ATOM 352 CA SER A 744 9.662 -8.029 -3.737 1.00 0.00 C ATOM 353 C SER A 744 9.207 -7.585 -2.351 1.00 0.00 C ATOM 354 O SER A 744 8.033 -7.277 -2.136 1.00 0.00 O ATOM 355 CB SER A 744 9.721 -9.555 -3.807 1.00 0.00 C ATOM 356 OG SER A 744 10.206 -9.991 -5.065 1.00 0.00 O ATOM 0 H SER A 744 11.676 -8.138 -4.314 1.00 0.00 H new ATOM 0 HA SER A 744 8.942 -7.673 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.366 -9.934 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.727 -9.968 -3.634 1.00 0.00 H new ATOM 0 HG SER A 744 10.235 -10.970 -5.083 1.00 0.00 H new ATOM 362 N LYS A 745 10.155 -7.533 -1.423 1.00 0.00 N ATOM 363 CA LYS A 745 9.864 -7.105 -0.064 1.00 0.00 C ATOM 364 C LYS A 745 9.514 -5.626 -0.064 1.00 0.00 C ATOM 365 O LYS A 745 8.658 -5.173 0.696 1.00 0.00 O ATOM 366 CB LYS A 745 11.062 -7.365 0.850 1.00 0.00 C ATOM 367 CG LYS A 745 11.376 -8.840 1.037 1.00 0.00 C ATOM 368 CD LYS A 745 12.307 -9.068 2.217 1.00 0.00 C ATOM 369 CE LYS A 745 13.332 -10.149 1.918 1.00 0.00 C ATOM 370 NZ LYS A 745 13.568 -11.031 3.095 1.00 0.00 N ATOM 0 H LYS A 745 11.130 -7.782 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 745 9.017 -7.677 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.938 -6.865 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.869 -6.917 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.450 -9.393 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.835 -9.233 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.819 -8.138 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 745 11.723 -9.351 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.990 -10.751 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 745 14.272 -9.685 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 14.273 -11.755 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 13.919 -10.461 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 12.677 -11.494 3.366 1.00 0.00 H new ATOM 384 N PHE A 746 10.181 -4.883 -0.940 1.00 0.00 N ATOM 385 CA PHE A 746 9.943 -3.455 -1.067 1.00 0.00 C ATOM 386 C PHE A 746 8.559 -3.214 -1.647 1.00 0.00 C ATOM 387 O PHE A 746 7.844 -2.310 -1.217 1.00 0.00 O ATOM 388 CB PHE A 746 11.009 -2.815 -1.953 1.00 0.00 C ATOM 389 CG PHE A 746 10.952 -1.314 -1.965 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.083 -0.595 -0.786 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.769 -0.620 -3.150 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.032 0.785 -0.791 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.716 0.762 -3.160 1.00 0.00 C ATOM 394 CZ PHE A 746 10.848 1.465 -1.977 1.00 0.00 C ATOM 0 H PHE A 746 10.892 -5.250 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 746 9.998 -2.998 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.994 -3.131 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.893 -3.184 -2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.227 -1.120 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.667 -1.165 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.136 1.332 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.572 1.291 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.807 2.544 -1.981 1.00 0.00 H new ATOM 404 N GLU A 747 8.179 -4.041 -2.615 1.00 0.00 N ATOM 405 CA GLU A 747 6.869 -3.932 -3.238 1.00 0.00 C ATOM 406 C GLU A 747 5.781 -4.154 -2.194 1.00 0.00 C ATOM 407 O GLU A 747 4.773 -3.450 -2.168 1.00 0.00 O ATOM 408 CB GLU A 747 6.727 -4.949 -4.372 1.00 0.00 C ATOM 409 CG GLU A 747 7.308 -4.472 -5.693 1.00 0.00 C ATOM 410 CD GLU A 747 6.246 -4.250 -6.753 1.00 0.00 C ATOM 411 OE1 GLU A 747 5.115 -3.866 -6.389 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.546 -4.460 -7.948 1.00 0.00 O ATOM 0 H GLU A 747 8.761 -4.793 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 747 6.763 -2.932 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.221 -5.876 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.671 -5.180 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.854 -3.542 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.029 -5.206 -6.054 1.00 0.00 H new ATOM 419 N GLU A 748 6.008 -5.138 -1.329 1.00 0.00 N ATOM 420 CA GLU A 748 5.063 -5.460 -0.266 1.00 0.00 C ATOM 421 C GLU A 748 5.022 -4.347 0.774 1.00 0.00 C ATOM 422 O GLU A 748 3.952 -3.962 1.246 1.00 0.00 O ATOM 423 CB GLU A 748 5.450 -6.779 0.401 1.00 0.00 C ATOM 424 CG GLU A 748 5.360 -7.981 -0.525 1.00 0.00 C ATOM 425 CD GLU A 748 4.597 -9.138 0.091 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.399 -8.962 0.398 1.00 0.00 O ATOM 427 OE2 GLU A 748 5.198 -10.219 0.266 1.00 0.00 O ATOM 0 H GLU A 748 6.840 -5.727 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 748 4.072 -5.560 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.469 -6.699 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.802 -6.945 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.873 -7.683 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 748 6.366 -8.311 -0.784 1.00 0.00 H new ATOM 434 N HIS A 749 6.195 -3.829 1.118 1.00 0.00 N ATOM 435 CA HIS A 749 6.304 -2.751 2.095 1.00 0.00 C ATOM 436 C HIS A 749 5.608 -1.507 1.564 1.00 0.00 C ATOM 437 O HIS A 749 4.774 -0.906 2.244 1.00 0.00 O ATOM 438 CB HIS A 749 7.784 -2.478 2.394 1.00 0.00 C ATOM 439 CG HIS A 749 8.080 -1.093 2.881 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.174 -0.752 4.211 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.331 0.046 2.184 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.476 0.551 4.280 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.583 1.080 3.077 1.00 0.00 N ATOM 0 H HIS A 749 7.087 -4.139 0.734 1.00 0.00 H new ATOM 0 HA HIS A 749 5.816 -3.041 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.127 -3.192 3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.363 -2.662 1.489 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.038 -1.380 5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.334 0.134 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.614 1.097 5.201 1.00 0.00 H new ATOM 451 N VAL A 750 5.939 -1.143 0.336 1.00 0.00 N ATOM 452 CA VAL A 750 5.331 0.009 -0.311 1.00 0.00 C ATOM 453 C VAL A 750 3.818 -0.168 -0.370 1.00 0.00 C ATOM 454 O VAL A 750 3.057 0.767 -0.127 1.00 0.00 O ATOM 455 CB VAL A 750 5.881 0.193 -1.738 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.205 1.364 -2.438 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.389 0.382 -1.708 1.00 0.00 C ATOM 0 H VAL A 750 6.629 -1.631 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 750 5.575 0.896 0.274 1.00 0.00 H new ATOM 0 HB VAL A 750 5.658 -0.710 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.612 1.471 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.132 1.181 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.386 2.279 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.760 0.510 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.633 1.266 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.857 -0.494 -1.259 1.00 0.00 H new ATOM 467 N GLU A 751 3.391 -1.389 -0.685 1.00 0.00 N ATOM 468 CA GLU A 751 1.973 -1.708 -0.767 1.00 0.00 C ATOM 469 C GLU A 751 1.343 -1.712 0.622 1.00 0.00 C ATOM 470 O GLU A 751 0.147 -1.468 0.773 1.00 0.00 O ATOM 471 CB GLU A 751 1.771 -3.069 -1.433 1.00 0.00 C ATOM 472 CG GLU A 751 2.114 -3.081 -2.914 1.00 0.00 C ATOM 473 CD GLU A 751 2.429 -4.473 -3.428 1.00 0.00 C ATOM 474 OE1 GLU A 751 3.087 -5.242 -2.695 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.018 -4.794 -4.563 1.00 0.00 O ATOM 0 H GLU A 751 4.011 -2.173 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 751 1.486 -0.942 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.386 -3.809 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.732 -3.375 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.279 -2.669 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.970 -2.430 -3.090 1.00 0.00 H new ATOM 482 N SER A 752 2.158 -1.987 1.638 1.00 0.00 N ATOM 483 CA SER A 752 1.674 -2.014 3.013 1.00 0.00 C ATOM 484 C SER A 752 1.023 -0.685 3.373 1.00 0.00 C ATOM 485 O SER A 752 0.003 -0.645 4.061 1.00 0.00 O ATOM 486 CB SER A 752 2.824 -2.314 3.976 1.00 0.00 C ATOM 487 OG SER A 752 2.403 -3.171 5.024 1.00 0.00 O ATOM 0 H SER A 752 3.152 -2.193 1.534 1.00 0.00 H new ATOM 0 HA SER A 752 0.928 -2.804 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.647 -2.778 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.204 -1.382 4.395 1.00 0.00 H new ATOM 0 HG SER A 752 3.157 -3.348 5.624 1.00 0.00 H new ATOM 493 N HIS A 753 1.620 0.403 2.895 1.00 0.00 N ATOM 494 CA HIS A 753 1.094 1.742 3.160 1.00 0.00 C ATOM 495 C HIS A 753 -0.161 2.013 2.336 1.00 0.00 C ATOM 496 O HIS A 753 -0.984 2.853 2.702 1.00 0.00 O ATOM 497 CB HIS A 753 2.143 2.807 2.840 1.00 0.00 C ATOM 498 CG HIS A 753 3.498 2.513 3.397 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.910 2.905 4.649 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.549 1.858 2.841 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.172 2.489 4.814 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.606 1.846 3.747 1.00 0.00 N ATOM 0 H HIS A 753 2.465 0.386 2.324 1.00 0.00 H new ATOM 0 HA HIS A 753 0.840 1.789 4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.221 2.911 1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.802 3.766 3.229 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.353 3.421 5.331 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.563 1.417 1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.758 2.658 5.705 1.00 0.00 H new ATOM 510 N TRP A 754 -0.298 1.309 1.216 1.00 0.00 N ATOM 511 CA TRP A 754 -1.449 1.489 0.339 1.00 0.00 C ATOM 512 C TRP A 754 -2.739 1.069 1.030 1.00 0.00 C ATOM 513 O TRP A 754 -2.732 0.232 1.933 1.00 0.00 O ATOM 514 CB TRP A 754 -1.271 0.681 -0.948 1.00 0.00 C ATOM 515 CG TRP A 754 -0.318 1.306 -1.918 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.778 2.061 -1.621 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.379 1.231 -3.345 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.403 2.461 -2.778 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.711 1.964 -3.851 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.250 0.614 -4.244 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.950 2.097 -5.215 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.012 0.745 -5.599 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.080 1.482 -6.073 1.00 0.00 C ATOM 0 H TRP A 754 0.372 0.610 0.895 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.516 2.549 0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.916 -0.318 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.241 0.562 -1.430 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.107 2.309 -0.623 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.245 3.034 -2.829 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.095 0.044 -3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.792 2.665 -5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.679 0.271 -6.304 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.239 1.567 -7.138 1.00 0.00 H new ATOM 534 N LYS A 755 -3.850 1.648 0.587 1.00 0.00 N ATOM 535 CA LYS A 755 -5.157 1.330 1.147 1.00 0.00 C ATOM 536 C LYS A 755 -5.688 0.053 0.515 1.00 0.00 C ATOM 537 O LYS A 755 -5.963 0.019 -0.679 1.00 0.00 O ATOM 538 CB LYS A 755 -6.131 2.484 0.902 1.00 0.00 C ATOM 539 CG LYS A 755 -6.094 3.555 1.980 1.00 0.00 C ATOM 540 CD LYS A 755 -6.055 4.951 1.377 1.00 0.00 C ATOM 541 CE LYS A 755 -6.520 6.001 2.374 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.376 6.631 3.091 1.00 0.00 N ATOM 0 H LYS A 755 -3.870 2.342 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.057 1.181 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.903 2.942 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.143 2.085 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.971 3.458 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.219 3.406 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.040 5.180 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.688 4.984 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.089 6.770 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.193 5.542 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.735 7.341 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.847 5.901 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -4.746 7.092 2.403 1.00 0.00 H new ATOM 556 N VAL A 756 -5.813 -1.006 1.306 1.00 0.00 N ATOM 557 CA VAL A 756 -6.292 -2.277 0.781 1.00 0.00 C ATOM 558 C VAL A 756 -7.566 -2.746 1.470 1.00 0.00 C ATOM 559 O VAL A 756 -7.675 -2.723 2.696 1.00 0.00 O ATOM 560 CB VAL A 756 -5.223 -3.377 0.908 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.687 -4.664 0.239 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.912 -2.905 0.306 1.00 0.00 C ATOM 0 H VAL A 756 -5.592 -1.010 2.302 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.511 -2.101 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.067 -3.585 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.915 -5.426 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.605 -5.011 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.874 -4.477 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.164 -3.692 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.059 -2.671 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.570 -2.013 0.832 1.00 0.00 H new ATOM 572 N CYS A 757 -8.517 -3.190 0.659 1.00 0.00 N ATOM 573 CA CYS A 757 -9.786 -3.694 1.162 1.00 0.00 C ATOM 574 C CYS A 757 -9.613 -5.121 1.683 1.00 0.00 C ATOM 575 O CYS A 757 -9.042 -5.970 1.000 1.00 0.00 O ATOM 576 CB CYS A 757 -10.840 -3.657 0.054 1.00 0.00 C ATOM 577 SG CYS A 757 -12.503 -4.120 0.595 1.00 0.00 S ATOM 0 H CYS A 757 -8.431 -3.211 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.120 -3.060 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.874 -2.652 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.531 -4.328 -0.748 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.896 -5.171 -0.062 1.00 0.00 H new ATOM 582 N PRO A 758 -10.083 -5.402 2.911 1.00 0.00 N ATOM 583 CA PRO A 758 -9.954 -6.723 3.521 1.00 0.00 C ATOM 584 C PRO A 758 -11.089 -7.679 3.158 1.00 0.00 C ATOM 585 O PRO A 758 -11.031 -8.866 3.481 1.00 0.00 O ATOM 586 CB PRO A 758 -9.993 -6.398 5.010 1.00 0.00 C ATOM 587 CG PRO A 758 -10.900 -5.216 5.109 1.00 0.00 C ATOM 588 CD PRO A 758 -10.761 -4.451 3.814 1.00 0.00 C ATOM 0 HA PRO A 758 -9.055 -7.239 3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.372 -7.239 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.998 -6.169 5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.932 -5.532 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.628 -4.590 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.732 -4.150 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.176 -3.541 3.948 1.00 0.00 H new ATOM 596 N MET A 759 -12.123 -7.165 2.499 1.00 0.00 N ATOM 597 CA MET A 759 -13.259 -7.999 2.120 1.00 0.00 C ATOM 598 C MET A 759 -13.033 -8.679 0.772 1.00 0.00 C ATOM 599 O MET A 759 -13.589 -9.747 0.510 1.00 0.00 O ATOM 600 CB MET A 759 -14.538 -7.162 2.084 1.00 0.00 C ATOM 601 CG MET A 759 -14.963 -6.652 3.453 1.00 0.00 C ATOM 602 SD MET A 759 -15.171 -7.977 4.658 1.00 0.00 S ATOM 603 CE MET A 759 -14.964 -7.073 6.190 1.00 0.00 C ATOM 0 H MET A 759 -12.198 -6.187 2.219 1.00 0.00 H new ATOM 0 HA MET A 759 -13.364 -8.782 2.872 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.389 -6.312 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.344 -7.761 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.218 -5.947 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.900 -6.104 3.357 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.694 -7.765 6.987 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.175 -6.331 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.898 -6.572 6.446 1.00 0.00 H new ATOM 613 N CYS A 760 -12.215 -8.067 -0.079 1.00 0.00 N ATOM 614 CA CYS A 760 -11.927 -8.636 -1.395 1.00 0.00 C ATOM 615 C CYS A 760 -10.421 -8.675 -1.680 1.00 0.00 C ATOM 616 O CYS A 760 -9.967 -9.453 -2.519 1.00 0.00 O ATOM 617 CB CYS A 760 -12.649 -7.848 -2.487 1.00 0.00 C ATOM 618 SG CYS A 760 -11.981 -6.196 -2.770 1.00 0.00 S ATOM 0 H CYS A 760 -11.742 -7.184 0.115 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.292 -9.663 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.601 -8.412 -3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.702 -7.761 -2.221 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.830 -5.306 -2.349 1.00 0.00 H new ATOM 623 N SER A 761 -9.656 -7.839 -0.976 1.00 0.00 N ATOM 624 CA SER A 761 -8.200 -7.777 -1.142 1.00 0.00 C ATOM 625 C SER A 761 -7.798 -6.891 -2.321 1.00 0.00 C ATOM 626 O SER A 761 -6.893 -7.232 -3.084 1.00 0.00 O ATOM 627 CB SER A 761 -7.606 -9.180 -1.316 1.00 0.00 C ATOM 628 OG SER A 761 -6.474 -9.360 -0.484 1.00 0.00 O ATOM 0 H SER A 761 -10.023 -7.190 -0.280 1.00 0.00 H new ATOM 0 HA SER A 761 -7.796 -7.332 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 761 -8.360 -9.930 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.324 -9.332 -2.358 1.00 0.00 H new ATOM 0 HG SER A 761 -6.114 -10.263 -0.612 1.00 0.00 H new ATOM 634 N GLU A 762 -8.457 -5.743 -2.454 1.00 0.00 N ATOM 635 CA GLU A 762 -8.144 -4.803 -3.528 1.00 0.00 C ATOM 636 C GLU A 762 -7.094 -3.811 -3.057 1.00 0.00 C ATOM 637 O GLU A 762 -7.082 -3.428 -1.888 1.00 0.00 O ATOM 638 CB GLU A 762 -9.401 -4.050 -3.974 1.00 0.00 C ATOM 639 CG GLU A 762 -9.686 -4.167 -5.463 1.00 0.00 C ATOM 640 CD GLU A 762 -10.228 -5.530 -5.848 1.00 0.00 C ATOM 641 OE1 GLU A 762 -9.718 -6.542 -5.322 1.00 0.00 O ATOM 642 OE2 GLU A 762 -11.162 -5.585 -6.674 1.00 0.00 O ATOM 0 H GLU A 762 -9.209 -5.441 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.757 -5.367 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.258 -4.430 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.294 -2.997 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -10.404 -3.400 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.770 -3.974 -6.021 1.00 0.00 H new ATOM 649 N GLN A 763 -6.217 -3.386 -3.959 1.00 0.00 N ATOM 650 CA GLN A 763 -5.187 -2.431 -3.587 1.00 0.00 C ATOM 651 C GLN A 763 -5.509 -1.049 -4.141 1.00 0.00 C ATOM 652 O GLN A 763 -5.810 -0.889 -5.324 1.00 0.00 O ATOM 653 CB GLN A 763 -3.821 -2.894 -4.104 1.00 0.00 C ATOM 654 CG GLN A 763 -2.957 -3.550 -3.040 1.00 0.00 C ATOM 655 CD GLN A 763 -1.499 -3.145 -3.143 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.650 -3.938 -3.549 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.201 -1.904 -2.773 1.00 0.00 N ATOM 0 H GLN A 763 -6.199 -3.682 -4.935 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.154 -2.372 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.971 -3.598 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.288 -2.037 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.336 -3.283 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -3.037 -4.633 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.937 -1.280 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.236 -1.576 -2.820 1.00 0.00 H new ATOM 666 N PHE A 764 -5.427 -0.059 -3.267 1.00 0.00 N ATOM 667 CA PHE A 764 -5.691 1.327 -3.634 1.00 0.00 C ATOM 668 C PHE A 764 -4.454 2.194 -3.400 1.00 0.00 C ATOM 669 O PHE A 764 -3.965 2.287 -2.272 1.00 0.00 O ATOM 670 CB PHE A 764 -6.880 1.868 -2.837 1.00 0.00 C ATOM 671 CG PHE A 764 -8.159 1.122 -3.096 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.983 1.477 -4.152 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.537 0.062 -2.285 1.00 0.00 C ATOM 674 CE1 PHE A 764 -10.158 0.790 -4.394 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.709 -0.628 -2.523 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.521 -0.264 -3.579 1.00 0.00 C ATOM 0 H PHE A 764 -5.177 -0.190 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.936 1.361 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.648 1.819 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.025 2.920 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -8.704 2.300 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -7.907 -0.227 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -10.792 1.077 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -9.990 -1.452 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.438 -0.803 -3.767 1.00 0.00 H new ATOM 686 N PRO A 765 -3.927 2.845 -4.453 1.00 0.00 N ATOM 687 CA PRO A 765 -2.743 3.702 -4.328 1.00 0.00 C ATOM 688 C PRO A 765 -2.958 4.833 -3.325 1.00 0.00 C ATOM 689 O PRO A 765 -4.093 5.201 -3.027 1.00 0.00 O ATOM 690 CB PRO A 765 -2.555 4.270 -5.739 1.00 0.00 C ATOM 691 CG PRO A 765 -3.265 3.315 -6.633 1.00 0.00 C ATOM 692 CD PRO A 765 -4.429 2.800 -5.837 1.00 0.00 C ATOM 0 HA PRO A 765 -1.878 3.149 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.974 5.273 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.499 4.343 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.602 3.809 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.607 2.500 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.314 3.423 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.705 1.788 -6.134 1.00 0.00 H new ATOM 700 N PRO A 766 -1.863 5.396 -2.786 1.00 0.00 N ATOM 701 CA PRO A 766 -1.935 6.486 -1.807 1.00 0.00 C ATOM 702 C PRO A 766 -2.540 7.756 -2.394 1.00 0.00 C ATOM 703 O PRO A 766 -3.090 8.585 -1.670 1.00 0.00 O ATOM 704 CB PRO A 766 -0.473 6.721 -1.417 1.00 0.00 C ATOM 705 CG PRO A 766 0.321 6.174 -2.552 1.00 0.00 C ATOM 706 CD PRO A 766 -0.472 5.014 -3.084 1.00 0.00 C ATOM 0 HA PRO A 766 -2.576 6.229 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.270 7.781 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.227 6.215 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.474 6.930 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.308 5.853 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.313 4.873 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.197 4.079 -2.595 1.00 0.00 H new ATOM 714 N ASP A 767 -2.437 7.901 -3.711 1.00 0.00 N ATOM 715 CA ASP A 767 -2.979 9.072 -4.393 1.00 0.00 C ATOM 716 C ASP A 767 -4.479 8.918 -4.641 1.00 0.00 C ATOM 717 O ASP A 767 -5.122 9.819 -5.180 1.00 0.00 O ATOM 718 CB ASP A 767 -2.253 9.296 -5.720 1.00 0.00 C ATOM 719 CG ASP A 767 -0.901 9.959 -5.534 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.810 10.900 -4.718 1.00 0.00 O ATOM 721 OD2 ASP A 767 0.065 9.537 -6.205 1.00 0.00 O ATOM 0 H ASP A 767 -1.985 7.225 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 767 -2.824 9.938 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.119 8.339 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -2.872 9.915 -6.370 1.00 0.00 H new ATOM 726 N TYR A 768 -5.032 7.774 -4.245 1.00 0.00 N ATOM 727 CA TYR A 768 -6.454 7.510 -4.425 1.00 0.00 C ATOM 728 C TYR A 768 -7.281 8.268 -3.393 1.00 0.00 C ATOM 729 O TYR A 768 -6.774 8.658 -2.342 1.00 0.00 O ATOM 730 CB TYR A 768 -6.733 6.011 -4.311 1.00 0.00 C ATOM 731 CG TYR A 768 -7.795 5.518 -5.265 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.527 5.376 -6.621 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.068 5.198 -4.812 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.497 4.927 -7.497 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.044 4.749 -5.681 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.753 4.615 -7.022 1.00 0.00 C ATOM 737 OH TYR A 768 -10.721 4.168 -7.891 1.00 0.00 O ATOM 0 H TYR A 768 -4.516 7.016 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.739 7.853 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.809 5.463 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.040 5.784 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.544 5.621 -6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.299 5.302 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.272 4.821 -8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.029 4.504 -5.312 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.458 3.769 -7.383 1.00 0.00 H new ATOM 747 N ASP A 769 -8.558 8.468 -3.697 1.00 0.00 N ATOM 748 CA ASP A 769 -9.456 9.173 -2.791 1.00 0.00 C ATOM 749 C ASP A 769 -10.001 8.224 -1.730 1.00 0.00 C ATOM 750 O ASP A 769 -10.620 7.209 -2.050 1.00 0.00 O ATOM 751 CB ASP A 769 -10.610 9.805 -3.570 1.00 0.00 C ATOM 752 CG ASP A 769 -11.159 11.042 -2.888 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.653 12.149 -3.169 1.00 0.00 O ATOM 754 OD2 ASP A 769 -12.096 10.904 -2.074 1.00 0.00 O ATOM 0 H ASP A 769 -8.994 8.152 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.891 9.962 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.268 10.067 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.409 9.073 -3.687 1.00 0.00 H new ATOM 759 N GLN A 770 -9.766 8.558 -0.465 1.00 0.00 N ATOM 760 CA GLN A 770 -10.234 7.731 0.643 1.00 0.00 C ATOM 761 C GLN A 770 -11.743 7.520 0.562 1.00 0.00 C ATOM 762 O GLN A 770 -12.256 6.479 0.972 1.00 0.00 O ATOM 763 CB GLN A 770 -9.864 8.375 1.980 1.00 0.00 C ATOM 764 CG GLN A 770 -9.285 7.395 2.988 1.00 0.00 C ATOM 765 CD GLN A 770 -10.245 7.089 4.122 1.00 0.00 C ATOM 766 OE1 GLN A 770 -10.513 7.940 4.970 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.768 5.869 4.142 1.00 0.00 N ATOM 0 H GLN A 770 -9.255 9.394 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.746 6.759 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.141 9.171 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.752 8.841 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.023 6.468 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.362 7.805 3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.518 5.195 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -11.420 5.606 4.881 1.00 0.00 H new ATOM 776 N GLN A 771 -12.447 8.512 0.026 1.00 0.00 N ATOM 777 CA GLN A 771 -13.896 8.428 -0.113 1.00 0.00 C ATOM 778 C GLN A 771 -14.278 7.253 -1.006 1.00 0.00 C ATOM 779 O GLN A 771 -15.179 6.478 -0.680 1.00 0.00 O ATOM 780 CB GLN A 771 -14.450 9.730 -0.694 1.00 0.00 C ATOM 781 CG GLN A 771 -15.934 9.931 -0.430 1.00 0.00 C ATOM 782 CD GLN A 771 -16.274 11.367 -0.081 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.491 11.699 1.083 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.324 12.226 -1.093 1.00 0.00 N ATOM 0 H GLN A 771 -12.039 9.381 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.329 8.271 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.897 10.570 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.276 9.741 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.500 9.631 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.246 9.279 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.137 11.906 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.550 13.206 -0.920 1.00 0.00 H new ATOM 793 N VAL A 772 -13.580 7.122 -2.129 1.00 0.00 N ATOM 794 CA VAL A 772 -13.838 6.036 -3.065 1.00 0.00 C ATOM 795 C VAL A 772 -13.500 4.691 -2.432 1.00 0.00 C ATOM 796 O VAL A 772 -14.222 3.710 -2.608 1.00 0.00 O ATOM 797 CB VAL A 772 -13.024 6.200 -4.362 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.433 5.153 -5.386 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.195 7.604 -4.928 1.00 0.00 C ATOM 0 H VAL A 772 -12.832 7.755 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.899 6.071 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 772 -11.970 6.053 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.847 5.285 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.254 4.157 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.492 5.265 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.612 7.700 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.248 7.782 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.847 8.335 -4.198 1.00 0.00 H new ATOM 809 N PHE A 773 -12.400 4.657 -1.687 1.00 0.00 N ATOM 810 CA PHE A 773 -11.971 3.435 -1.022 1.00 0.00 C ATOM 811 C PHE A 773 -12.982 3.020 0.041 1.00 0.00 C ATOM 812 O PHE A 773 -13.430 1.875 0.071 1.00 0.00 O ATOM 813 CB PHE A 773 -10.593 3.625 -0.382 1.00 0.00 C ATOM 814 CG PHE A 773 -10.194 2.493 0.524 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.292 1.178 0.095 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.733 2.744 1.806 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.937 0.136 0.928 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.377 1.705 2.644 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.478 0.399 2.205 1.00 0.00 C ATOM 0 H PHE A 773 -11.792 5.460 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.905 2.647 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.847 3.731 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.590 4.555 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.650 0.967 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.651 3.763 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -10.018 -0.884 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.020 1.914 3.642 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.199 -0.415 2.858 1.00 0.00 H new ATOM 829 N GLU A 774 -13.336 3.960 0.913 1.00 0.00 N ATOM 830 CA GLU A 774 -14.291 3.691 1.981 1.00 0.00 C ATOM 831 C GLU A 774 -15.591 3.140 1.413 1.00 0.00 C ATOM 832 O GLU A 774 -16.156 2.182 1.941 1.00 0.00 O ATOM 833 CB GLU A 774 -14.565 4.964 2.784 1.00 0.00 C ATOM 834 CG GLU A 774 -13.674 5.115 4.006 1.00 0.00 C ATOM 835 CD GLU A 774 -14.295 4.526 5.257 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.434 4.911 5.593 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.642 3.678 5.901 1.00 0.00 O ATOM 0 H GLU A 774 -12.975 4.914 0.900 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.859 2.943 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.428 5.829 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.608 4.966 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.717 4.628 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.466 6.172 4.171 1.00 0.00 H new ATOM 844 N ARG A 775 -16.056 3.742 0.324 1.00 0.00 N ATOM 845 CA ARG A 775 -17.283 3.297 -0.318 1.00 0.00 C ATOM 846 C ARG A 775 -17.114 1.874 -0.848 1.00 0.00 C ATOM 847 O ARG A 775 -18.029 1.054 -0.759 1.00 0.00 O ATOM 848 CB ARG A 775 -17.698 4.274 -1.432 1.00 0.00 C ATOM 849 CG ARG A 775 -17.033 4.041 -2.785 1.00 0.00 C ATOM 850 CD ARG A 775 -18.059 3.746 -3.868 1.00 0.00 C ATOM 851 NE ARG A 775 -18.568 2.379 -3.784 1.00 0.00 N ATOM 852 CZ ARG A 775 -17.900 1.312 -4.216 1.00 0.00 C ATOM 853 NH1 ARG A 775 -16.697 1.449 -4.759 1.00 0.00 N ATOM 854 NH2 ARG A 775 -18.436 0.104 -4.103 1.00 0.00 N ATOM 0 H ARG A 775 -15.603 4.535 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.085 3.286 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.779 4.213 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.473 5.289 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.453 4.921 -3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.333 3.209 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.889 4.447 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.608 3.905 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.489 2.234 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -16.280 2.376 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -16.190 0.628 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -19.360 -0.007 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -17.924 -0.714 -4.434 1.00 0.00 H new ATOM 868 N HIS A 776 -15.932 1.586 -1.390 1.00 0.00 N ATOM 869 CA HIS A 776 -15.642 0.262 -1.925 1.00 0.00 C ATOM 870 C HIS A 776 -15.636 -0.778 -0.809 1.00 0.00 C ATOM 871 O HIS A 776 -16.258 -1.833 -0.930 1.00 0.00 O ATOM 872 CB HIS A 776 -14.290 0.261 -2.646 1.00 0.00 C ATOM 873 CG HIS A 776 -13.685 -1.102 -2.784 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.816 -1.893 -3.903 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.943 -1.823 -1.904 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.166 -3.040 -3.673 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.618 -3.045 -2.475 1.00 0.00 N ATOM 0 H HIS A 776 -15.163 2.251 -1.469 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.424 0.005 -2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.416 0.695 -3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.597 0.903 -2.102 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.319 -1.648 -4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.652 -1.497 -0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -13.099 -3.856 -4.378 1.00 0.00 H new ATOM 885 N VAL A 777 -14.934 -0.478 0.278 1.00 0.00 N ATOM 886 CA VAL A 777 -14.865 -1.402 1.405 1.00 0.00 C ATOM 887 C VAL A 777 -16.231 -1.520 2.068 1.00 0.00 C ATOM 888 O VAL A 777 -16.589 -2.571 2.598 1.00 0.00 O ATOM 889 CB VAL A 777 -13.828 -0.980 2.470 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.178 -2.207 3.087 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.767 -0.058 1.889 1.00 0.00 C ATOM 0 H VAL A 777 -14.410 0.388 0.403 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.549 -2.362 0.997 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.358 -0.427 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.450 -1.895 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.942 -2.825 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.676 -2.782 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.057 0.216 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.241 -0.570 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.242 0.842 1.498 1.00 0.00 H new ATOM 901 N GLN A 778 -16.991 -0.430 2.025 1.00 0.00 N ATOM 902 CA GLN A 778 -18.323 -0.403 2.611 1.00 0.00 C ATOM 903 C GLN A 778 -19.274 -1.295 1.821 1.00 0.00 C ATOM 904 O GLN A 778 -20.179 -1.909 2.387 1.00 0.00 O ATOM 905 CB GLN A 778 -18.859 1.030 2.650 1.00 0.00 C ATOM 906 CG GLN A 778 -18.361 1.834 3.839 1.00 0.00 C ATOM 907 CD GLN A 778 -18.833 1.269 5.164 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.989 0.870 5.305 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.938 1.232 6.144 1.00 0.00 N ATOM 0 H GLN A 778 -16.705 0.447 1.589 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.256 -0.782 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.573 1.541 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.948 1.001 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.271 1.858 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.703 2.865 3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.991 1.574 5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.198 0.862 7.058 1.00 0.00 H new ATOM 918 N THR A 779 -19.061 -1.364 0.511 1.00 0.00 N ATOM 919 CA THR A 779 -19.899 -2.186 -0.354 1.00 0.00 C ATOM 920 C THR A 779 -19.848 -3.650 0.074 1.00 0.00 C ATOM 921 O THR A 779 -20.783 -4.414 -0.168 1.00 0.00 O ATOM 922 CB THR A 779 -19.473 -2.036 -1.821 1.00 0.00 C ATOM 923 OG1 THR A 779 -20.563 -2.301 -2.686 1.00 0.00 O ATOM 924 CG2 THR A 779 -18.335 -2.952 -2.230 1.00 0.00 C ATOM 0 H THR A 779 -18.317 -0.862 0.026 1.00 0.00 H new ATOM 0 HA THR A 779 -20.928 -1.840 -0.259 1.00 0.00 H new ATOM 0 HB THR A 779 -19.129 -1.006 -1.909 1.00 0.00 H new ATOM 0 HG1 THR A 779 -20.274 -2.199 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.093 -2.785 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 779 -17.459 -2.739 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.634 -3.990 -2.087 1.00 0.00 H new ATOM 932 N HIS A 780 -18.747 -4.032 0.709 1.00 0.00 N ATOM 933 CA HIS A 780 -18.565 -5.399 1.171 1.00 0.00 C ATOM 934 C HIS A 780 -19.237 -5.616 2.525 1.00 0.00 C ATOM 935 O HIS A 780 -19.686 -6.718 2.836 1.00 0.00 O ATOM 936 CB HIS A 780 -17.075 -5.721 1.270 1.00 0.00 C ATOM 937 CG HIS A 780 -16.364 -5.668 -0.046 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.487 -6.633 -1.020 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.513 -4.734 -0.547 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.725 -6.266 -2.058 1.00 0.00 C ATOM 941 NE2 HIS A 780 -15.114 -5.122 -1.822 1.00 0.00 N ATOM 0 H HIS A 780 -17.965 -3.411 0.916 1.00 0.00 H new ATOM 0 HA HIS A 780 -19.033 -6.068 0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.604 -5.018 1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.954 -6.715 1.700 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -17.057 -7.477 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.197 -3.836 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.624 -6.834 -2.971 1.00 0.00 H new ATOM 949 N PHE A 781 -19.302 -4.556 3.326 1.00 0.00 N ATOM 950 CA PHE A 781 -19.920 -4.631 4.645 1.00 0.00 C ATOM 951 C PHE A 781 -21.442 -4.714 4.539 1.00 0.00 C ATOM 952 O PHE A 781 -22.115 -5.136 5.479 1.00 0.00 O ATOM 953 CB PHE A 781 -19.524 -3.416 5.490 1.00 0.00 C ATOM 954 CG PHE A 781 -18.043 -3.155 5.528 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.132 -4.191 5.378 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.563 -1.869 5.717 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.772 -3.946 5.415 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.205 -1.619 5.755 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.309 -2.659 5.604 1.00 0.00 C ATOM 0 H PHE A 781 -18.934 -3.636 3.084 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.560 -5.538 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.028 -2.533 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.883 -3.562 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.489 -5.199 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.259 -1.052 5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.073 -4.760 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.844 -0.612 5.903 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.247 -2.466 5.634 1.00 0.00 H new ATOM 969 N ASP A 782 -21.978 -4.308 3.391 1.00 0.00 N ATOM 970 CA ASP A 782 -23.420 -4.337 3.169 1.00 0.00 C ATOM 971 C ASP A 782 -23.844 -5.620 2.457 1.00 0.00 C ATOM 972 O ASP A 782 -24.883 -5.659 1.798 1.00 0.00 O ATOM 973 CB ASP A 782 -23.854 -3.118 2.351 1.00 0.00 C ATOM 974 CG ASP A 782 -25.102 -2.463 2.909 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.055 -1.975 4.057 1.00 0.00 O ATOM 976 OD2 ASP A 782 -26.128 -2.439 2.195 1.00 0.00 O ATOM 0 H ASP A 782 -21.436 -3.956 2.602 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.910 -4.310 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.043 -2.390 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.036 -3.422 1.320 1.00 0.00 H new