USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -110:sc= -6.48! USER MOD Set 1.2: A 760 CYS SG : rot -113:sc= -1.11 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.01 K(o=-13,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.78 X(o=-13,f=-13) USER MOD Set 2.1: A 730 CYS SG : rot -136:sc= -1.8 USER MOD Set 2.2: A 733 CYS SG : rot 27:sc= -1.44 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -5.81 K(o=-11,f=-17!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -2.02 K(o=-11,f=-16!) USER MOD Single : A 727 HIS : no HD1:sc= -5.65! C(o=-5.7!,f=-4.2!) USER MOD Single : A 728 LYS NZ :NH3+ 177:sc= 0.328 (180deg=0.322) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 743 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.4) USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.108) 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 -163:sc= -0.673 (180deg=-2.03) USER MOD Single : A 761 SER OG : rot -64:sc= 0.7 USER MOD Single : A 763 GLN : amide:sc= -10.6! C(o=-11!,f=-21!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.6) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 778 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.79) USER MOD Single : A 779 THR OG1 : rot -42:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.776 2.270 -1.326 1.00 0.00 N ATOM 74 CA HIS A 727 19.673 1.941 -0.430 1.00 0.00 C ATOM 75 C HIS A 727 18.328 2.232 -1.089 1.00 0.00 C ATOM 76 O HIS A 727 18.228 3.082 -1.974 1.00 0.00 O ATOM 77 CB HIS A 727 19.793 2.734 0.873 1.00 0.00 C ATOM 78 CG HIS A 727 20.599 2.036 1.923 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.152 2.688 3.006 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.941 0.734 2.056 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.800 1.815 3.758 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.687 0.623 3.203 1.00 0.00 N ATOM 0 HA HIS A 727 19.727 0.875 -0.208 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.248 3.701 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.794 2.930 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.676 -0.069 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.331 2.039 4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.089 -0.241 3.567 1.00 0.00 H new ATOM 91 N LYS A 728 17.295 1.521 -0.648 1.00 0.00 N ATOM 92 CA LYS A 728 15.954 1.702 -1.190 1.00 0.00 C ATOM 93 C LYS A 728 15.100 2.542 -0.247 1.00 0.00 C ATOM 94 O LYS A 728 14.890 2.175 0.909 1.00 0.00 O ATOM 95 CB LYS A 728 15.289 0.345 -1.430 1.00 0.00 C ATOM 96 CG LYS A 728 15.478 -0.185 -2.841 1.00 0.00 C ATOM 97 CD LYS A 728 14.305 0.182 -3.735 1.00 0.00 C ATOM 98 CE LYS A 728 14.257 1.677 -4.003 1.00 0.00 C ATOM 99 NZ LYS A 728 13.254 2.023 -5.049 1.00 0.00 N ATOM 0 H LYS A 728 17.362 0.814 0.084 1.00 0.00 H new ATOM 0 HA LYS A 728 16.039 2.227 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.693 -0.378 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.222 0.431 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 728 16.398 0.219 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 728 15.590 -1.269 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 728 14.384 -0.356 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.374 -0.135 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.015 2.204 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.242 2.021 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.216 3.056 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 13.527 1.582 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 12.318 1.673 -4.762 1.00 0.00 H new ATOM 113 N LYS A 729 14.610 3.672 -0.747 1.00 0.00 N ATOM 114 CA LYS A 729 13.779 4.565 0.053 1.00 0.00 C ATOM 115 C LYS A 729 12.344 4.580 -0.461 1.00 0.00 C ATOM 116 O LYS A 729 12.088 4.945 -1.608 1.00 0.00 O ATOM 117 CB LYS A 729 14.357 5.982 0.037 1.00 0.00 C ATOM 118 CG LYS A 729 15.095 6.353 1.313 1.00 0.00 C ATOM 119 CD LYS A 729 15.361 7.849 1.387 1.00 0.00 C ATOM 120 CE LYS A 729 14.353 8.551 2.283 1.00 0.00 C ATOM 121 NZ LYS A 729 14.817 9.907 2.684 1.00 0.00 N ATOM 0 H LYS A 729 14.774 3.991 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 729 13.772 4.195 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.039 6.078 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.547 6.694 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 729 14.508 6.043 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 729 16.040 5.811 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 729 16.368 8.022 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 729 15.319 8.277 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.399 8.633 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.178 7.949 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.102 10.352 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.714 9.827 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 14.959 10.490 1.835 1.00 0.00 H new ATOM 135 N CYS A 730 11.409 4.185 0.398 1.00 0.00 N ATOM 136 CA CYS A 730 9.998 4.158 0.032 1.00 0.00 C ATOM 137 C CYS A 730 9.436 5.582 -0.028 1.00 0.00 C ATOM 138 O CYS A 730 9.750 6.414 0.824 1.00 0.00 O ATOM 139 CB CYS A 730 9.214 3.303 1.036 1.00 0.00 C ATOM 140 SG CYS A 730 7.418 3.388 0.855 1.00 0.00 S ATOM 0 H CYS A 730 11.603 3.880 1.352 1.00 0.00 H new ATOM 0 HA CYS A 730 9.895 3.712 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.528 2.264 0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.480 3.616 2.046 1.00 0.00 H new ATOM 0 HG CYS A 730 6.869 3.504 2.028 1.00 0.00 H new ATOM 145 N PRO A 731 8.607 5.895 -1.048 1.00 0.00 N ATOM 146 CA PRO A 731 8.024 7.228 -1.221 1.00 0.00 C ATOM 147 C PRO A 731 6.786 7.466 -0.354 1.00 0.00 C ATOM 148 O PRO A 731 5.986 8.356 -0.639 1.00 0.00 O ATOM 149 CB PRO A 731 7.639 7.271 -2.710 1.00 0.00 C ATOM 150 CG PRO A 731 8.014 5.937 -3.284 1.00 0.00 C ATOM 151 CD PRO A 731 8.185 4.996 -2.127 1.00 0.00 C ATOM 0 HA PRO A 731 8.729 8.002 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.572 7.459 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.164 8.076 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 731 7.241 5.578 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 731 8.936 6.010 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.257 4.478 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.933 4.230 -2.333 1.00 0.00 H new ATOM 159 N LEU A 732 6.632 6.674 0.701 1.00 0.00 N ATOM 160 CA LEU A 732 5.488 6.813 1.599 1.00 0.00 C ATOM 161 C LEU A 732 5.945 7.047 3.036 1.00 0.00 C ATOM 162 O LEU A 732 5.246 7.684 3.824 1.00 0.00 O ATOM 163 CB LEU A 732 4.606 5.564 1.530 1.00 0.00 C ATOM 164 CG LEU A 732 3.792 5.418 0.243 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.812 3.978 -0.246 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.361 5.893 0.458 1.00 0.00 C ATOM 0 H LEU A 732 7.282 5.931 0.956 1.00 0.00 H new ATOM 0 HA LEU A 732 4.910 7.679 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.239 4.684 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.920 5.575 2.377 1.00 0.00 H new ATOM 0 HG LEU A 732 4.249 6.044 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.227 3.897 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.840 3.675 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.383 3.329 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.798 5.781 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.893 5.296 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.367 6.942 0.755 1.00 0.00 H new ATOM 178 N CYS A 733 7.119 6.524 3.370 1.00 0.00 N ATOM 179 CA CYS A 733 7.671 6.668 4.710 1.00 0.00 C ATOM 180 C CYS A 733 9.085 7.241 4.654 1.00 0.00 C ATOM 181 O CYS A 733 9.523 7.732 3.612 1.00 0.00 O ATOM 182 CB CYS A 733 7.685 5.310 5.410 1.00 0.00 C ATOM 183 SG CYS A 733 8.739 4.088 4.598 1.00 0.00 S ATOM 0 H CYS A 733 7.708 5.994 2.728 1.00 0.00 H new ATOM 0 HA CYS A 733 7.043 7.359 5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.023 5.444 6.437 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.666 4.925 5.457 1.00 0.00 H new ATOM 0 HG CYS A 733 9.690 4.696 3.952 1.00 0.00 H new ATOM 188 N GLU A 734 9.796 7.174 5.775 1.00 0.00 N ATOM 189 CA GLU A 734 11.160 7.684 5.848 1.00 0.00 C ATOM 190 C GLU A 734 12.119 6.601 6.336 1.00 0.00 C ATOM 191 O GLU A 734 12.953 6.842 7.210 1.00 0.00 O ATOM 192 CB GLU A 734 11.224 8.898 6.777 1.00 0.00 C ATOM 193 CG GLU A 734 10.152 9.939 6.493 1.00 0.00 C ATOM 194 CD GLU A 734 10.733 11.286 6.110 1.00 0.00 C ATOM 195 OE1 GLU A 734 11.000 12.099 7.020 1.00 0.00 O ATOM 196 OE2 GLU A 734 10.920 11.529 4.899 1.00 0.00 O ATOM 0 H GLU A 734 9.450 6.771 6.646 1.00 0.00 H new ATOM 0 HA GLU A 734 11.463 7.988 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.127 8.561 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.205 9.364 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 734 9.509 9.583 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.523 10.057 7.375 1.00 0.00 H new ATOM 203 N LEU A 735 11.994 5.405 5.767 1.00 0.00 N ATOM 204 CA LEU A 735 12.849 4.285 6.146 1.00 0.00 C ATOM 205 C LEU A 735 13.856 3.967 5.045 1.00 0.00 C ATOM 206 O LEU A 735 13.612 4.239 3.870 1.00 0.00 O ATOM 207 CB LEU A 735 12.000 3.047 6.449 1.00 0.00 C ATOM 208 CG LEU A 735 12.393 2.286 7.716 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.136 3.138 8.951 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.631 0.973 7.806 1.00 0.00 C ATOM 0 H LEU A 735 11.310 5.187 5.043 1.00 0.00 H new ATOM 0 HA LEU A 735 13.399 4.570 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.957 3.353 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.063 2.366 5.600 1.00 0.00 H new ATOM 0 HG LEU A 735 13.459 2.063 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.421 2.581 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.725 4.053 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.077 3.391 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.923 0.444 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.560 1.175 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.863 0.357 6.937 1.00 0.00 H new ATOM 222 N MET A 736 14.986 3.385 5.435 1.00 0.00 N ATOM 223 CA MET A 736 16.030 3.024 4.483 1.00 0.00 C ATOM 224 C MET A 736 16.214 1.510 4.437 1.00 0.00 C ATOM 225 O MET A 736 16.303 0.855 5.476 1.00 0.00 O ATOM 226 CB MET A 736 17.351 3.700 4.857 1.00 0.00 C ATOM 227 CG MET A 736 18.147 4.185 3.657 1.00 0.00 C ATOM 228 SD MET A 736 18.037 5.970 3.422 1.00 0.00 S ATOM 229 CE MET A 736 19.032 6.179 1.947 1.00 0.00 C ATOM 0 H MET A 736 15.202 3.153 6.405 1.00 0.00 H new ATOM 0 HA MET A 736 15.725 3.369 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.144 4.547 5.511 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.960 2.998 5.427 1.00 0.00 H new ATOM 0 HG2 MET A 736 19.192 3.903 3.782 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.786 3.682 2.760 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.061 7.234 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 736 20.045 5.826 2.139 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.596 5.604 1.130 1.00 0.00 H new ATOM 239 N PHE A 737 16.264 0.958 3.229 1.00 0.00 N ATOM 240 CA PHE A 737 16.432 -0.480 3.055 1.00 0.00 C ATOM 241 C PHE A 737 17.814 -0.811 2.493 1.00 0.00 C ATOM 242 O PHE A 737 18.349 -0.072 1.665 1.00 0.00 O ATOM 243 CB PHE A 737 15.340 -1.031 2.133 1.00 0.00 C ATOM 244 CG PHE A 737 13.960 -0.961 2.727 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.753 -1.234 4.070 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.870 -0.622 1.941 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.487 -1.170 4.618 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.600 -0.557 2.483 1.00 0.00 C ATOM 249 CZ PHE A 737 11.409 -0.831 3.823 1.00 0.00 C ATOM 0 H PHE A 737 16.191 1.483 2.358 1.00 0.00 H new ATOM 0 HA PHE A 737 16.344 -0.952 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.352 -0.474 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.570 -2.068 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.592 -1.500 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.015 -0.406 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.340 -1.385 5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.759 -0.292 1.860 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.418 -0.780 4.249 1.00 0.00 H new ATOM 259 N PRO A 738 18.413 -1.929 2.941 1.00 0.00 N ATOM 260 CA PRO A 738 19.742 -2.357 2.485 1.00 0.00 C ATOM 261 C PRO A 738 19.770 -2.681 0.993 1.00 0.00 C ATOM 262 O PRO A 738 18.742 -3.002 0.398 1.00 0.00 O ATOM 263 CB PRO A 738 20.022 -3.619 3.310 1.00 0.00 C ATOM 264 CG PRO A 738 18.682 -4.097 3.751 1.00 0.00 C ATOM 265 CD PRO A 738 17.845 -2.863 3.930 1.00 0.00 C ATOM 0 HA PRO A 738 20.485 -1.572 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.534 -4.375 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.663 -3.398 4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.242 -4.764 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.754 -4.659 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.790 -3.060 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.918 -2.470 4.944 1.00 0.00 H new ATOM 273 N PRO A 739 20.958 -2.602 0.368 1.00 0.00 N ATOM 274 CA PRO A 739 21.123 -2.890 -1.062 1.00 0.00 C ATOM 275 C PRO A 739 20.738 -4.323 -1.412 1.00 0.00 C ATOM 276 O PRO A 739 20.391 -4.622 -2.555 1.00 0.00 O ATOM 277 CB PRO A 739 22.618 -2.659 -1.313 1.00 0.00 C ATOM 278 CG PRO A 739 23.255 -2.744 0.030 1.00 0.00 C ATOM 279 CD PRO A 739 22.234 -2.230 1.002 1.00 0.00 C ATOM 0 HA PRO A 739 20.478 -2.262 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.025 -3.410 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.795 -1.686 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.536 -3.771 0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.166 -2.147 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.345 -2.688 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.316 -1.152 1.142 1.00 0.00 H new ATOM 287 N ASN A 740 20.799 -5.209 -0.421 1.00 0.00 N ATOM 288 CA ASN A 740 20.453 -6.611 -0.628 1.00 0.00 C ATOM 289 C ASN A 740 18.972 -6.862 -0.344 1.00 0.00 C ATOM 290 O ASN A 740 18.541 -8.009 -0.230 1.00 0.00 O ATOM 291 CB ASN A 740 21.312 -7.506 0.268 1.00 0.00 C ATOM 292 CG ASN A 740 22.785 -7.152 0.197 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.225 -6.459 -0.719 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.555 -7.630 1.167 1.00 0.00 N ATOM 0 H ASN A 740 21.084 -4.981 0.531 1.00 0.00 H new ATOM 0 HA ASN A 740 20.648 -6.854 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 740 20.970 -7.419 1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.177 -8.547 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.554 -7.426 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.147 -8.201 1.907 1.00 0.00 H new ATOM 301 N TYR A 741 18.198 -5.785 -0.233 1.00 0.00 N ATOM 302 CA TYR A 741 16.769 -5.894 0.035 1.00 0.00 C ATOM 303 C TYR A 741 16.007 -6.282 -1.229 1.00 0.00 C ATOM 304 O TYR A 741 16.175 -5.663 -2.281 1.00 0.00 O ATOM 305 CB TYR A 741 16.235 -4.569 0.581 1.00 0.00 C ATOM 306 CG TYR A 741 14.857 -4.674 1.193 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.718 -4.623 0.399 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.693 -4.824 2.564 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.457 -4.717 0.955 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.435 -4.918 3.128 1.00 0.00 C ATOM 311 CZ TYR A 741 12.321 -4.864 2.319 1.00 0.00 C ATOM 312 OH TYR A 741 11.066 -4.958 2.875 1.00 0.00 O ATOM 0 H TYR A 741 18.538 -4.828 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 741 16.619 -6.675 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 741 16.928 -4.190 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.209 -3.838 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.820 -4.508 -0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.564 -4.868 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.582 -4.676 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.326 -5.033 4.196 1.00 0.00 H new ATOM 0 HH TYR A 741 11.145 -5.059 3.847 1.00 0.00 H new ATOM 322 N ASP A 742 15.172 -7.310 -1.120 1.00 0.00 N ATOM 323 CA ASP A 742 14.386 -7.778 -2.256 1.00 0.00 C ATOM 324 C ASP A 742 13.337 -6.745 -2.652 1.00 0.00 C ATOM 325 O ASP A 742 12.625 -6.209 -1.803 1.00 0.00 O ATOM 326 CB ASP A 742 13.709 -9.109 -1.919 1.00 0.00 C ATOM 327 CG ASP A 742 14.472 -10.299 -2.468 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.270 -10.637 -3.654 1.00 0.00 O ATOM 329 OD2 ASP A 742 15.269 -10.894 -1.713 1.00 0.00 O ATOM 0 H ASP A 742 15.022 -7.834 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 742 15.061 -7.925 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.620 -9.205 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.697 -9.112 -2.323 1.00 0.00 H new ATOM 334 N GLN A 743 13.247 -6.468 -3.950 1.00 0.00 N ATOM 335 CA GLN A 743 12.286 -5.497 -4.458 1.00 0.00 C ATOM 336 C GLN A 743 10.859 -5.933 -4.149 1.00 0.00 C ATOM 337 O GLN A 743 10.010 -5.110 -3.804 1.00 0.00 O ATOM 338 CB GLN A 743 12.461 -5.312 -5.964 1.00 0.00 C ATOM 339 CG GLN A 743 13.365 -4.147 -6.333 1.00 0.00 C ATOM 340 CD GLN A 743 12.679 -2.804 -6.178 1.00 0.00 C ATOM 341 OE1 GLN A 743 12.898 -2.092 -5.197 1.00 0.00 O ATOM 342 NE2 GLN A 743 11.844 -2.451 -7.147 1.00 0.00 N ATOM 0 H GLN A 743 13.828 -6.902 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 743 12.472 -4.545 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.871 -6.228 -6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.482 -5.160 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 743 14.256 -4.170 -5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.699 -4.263 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.693 -3.072 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 743 11.353 -1.558 -7.097 1.00 0.00 H new ATOM 351 N SER A 744 10.600 -7.231 -4.268 1.00 0.00 N ATOM 352 CA SER A 744 9.273 -7.772 -3.993 1.00 0.00 C ATOM 353 C SER A 744 8.821 -7.363 -2.597 1.00 0.00 C ATOM 354 O SER A 744 7.695 -6.899 -2.402 1.00 0.00 O ATOM 355 CB SER A 744 9.279 -9.295 -4.117 1.00 0.00 C ATOM 356 OG SER A 744 9.335 -9.697 -5.475 1.00 0.00 O ATOM 0 H SER A 744 11.289 -7.927 -4.552 1.00 0.00 H new ATOM 0 HA SER A 744 8.575 -7.367 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.134 -9.703 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.383 -9.704 -3.650 1.00 0.00 H new ATOM 0 HG SER A 744 9.339 -10.676 -5.527 1.00 0.00 H new ATOM 362 N LYS A 745 9.719 -7.518 -1.631 1.00 0.00 N ATOM 363 CA LYS A 745 9.429 -7.144 -0.258 1.00 0.00 C ATOM 364 C LYS A 745 9.216 -5.641 -0.176 1.00 0.00 C ATOM 365 O LYS A 745 8.388 -5.155 0.595 1.00 0.00 O ATOM 366 CB LYS A 745 10.572 -7.572 0.668 1.00 0.00 C ATOM 367 CG LYS A 745 10.167 -8.625 1.687 1.00 0.00 C ATOM 368 CD LYS A 745 10.933 -8.461 2.990 1.00 0.00 C ATOM 369 CE LYS A 745 10.650 -9.606 3.949 1.00 0.00 C ATOM 370 NZ LYS A 745 11.259 -10.883 3.487 1.00 0.00 N ATOM 0 H LYS A 745 10.653 -7.900 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 745 8.521 -7.653 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.392 -7.959 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.950 -6.695 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.097 -8.553 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.351 -9.619 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.002 -8.415 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 745 10.658 -7.516 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.037 -9.356 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 745 9.573 -9.735 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 11.221 -11.584 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 10.733 -11.241 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 12.250 -10.718 3.218 1.00 0.00 H new ATOM 384 N PHE A 746 9.972 -4.910 -0.992 1.00 0.00 N ATOM 385 CA PHE A 746 9.870 -3.461 -1.031 1.00 0.00 C ATOM 386 C PHE A 746 8.505 -3.048 -1.554 1.00 0.00 C ATOM 387 O PHE A 746 7.888 -2.115 -1.044 1.00 0.00 O ATOM 388 CB PHE A 746 10.972 -2.870 -1.910 1.00 0.00 C ATOM 389 CG PHE A 746 10.966 -1.369 -1.948 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.071 -0.636 -0.775 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.853 -0.690 -3.149 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.064 0.745 -0.803 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.844 0.691 -3.183 1.00 0.00 C ATOM 394 CZ PHE A 746 10.950 1.410 -2.008 1.00 0.00 C ATOM 0 H PHE A 746 10.661 -5.302 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 746 9.992 -3.077 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.940 -3.213 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.861 -3.252 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.159 -1.151 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.771 -1.247 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.148 1.304 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.754 1.208 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.944 2.490 -2.032 1.00 0.00 H new ATOM 404 N GLU A 747 8.026 -3.767 -2.566 1.00 0.00 N ATOM 405 CA GLU A 747 6.719 -3.487 -3.142 1.00 0.00 C ATOM 406 C GLU A 747 5.647 -3.667 -2.079 1.00 0.00 C ATOM 407 O GLU A 747 4.756 -2.831 -1.927 1.00 0.00 O ATOM 408 CB GLU A 747 6.448 -4.411 -4.333 1.00 0.00 C ATOM 409 CG GLU A 747 6.652 -3.741 -5.681 1.00 0.00 C ATOM 410 CD GLU A 747 5.350 -3.278 -6.304 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.385 -3.034 -5.550 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.295 -3.159 -7.546 1.00 0.00 O ATOM 0 H GLU A 747 8.523 -4.544 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 747 6.701 -2.457 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.104 -5.279 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.424 -4.779 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.317 -2.886 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.147 -4.437 -6.358 1.00 0.00 H new ATOM 419 N GLU A 748 5.756 -4.759 -1.333 1.00 0.00 N ATOM 420 CA GLU A 748 4.813 -5.052 -0.263 1.00 0.00 C ATOM 421 C GLU A 748 4.837 -3.944 0.781 1.00 0.00 C ATOM 422 O GLU A 748 3.795 -3.527 1.288 1.00 0.00 O ATOM 423 CB GLU A 748 5.158 -6.389 0.393 1.00 0.00 C ATOM 424 CG GLU A 748 4.484 -7.582 -0.265 1.00 0.00 C ATOM 425 CD GLU A 748 4.551 -8.833 0.588 1.00 0.00 C ATOM 426 OE1 GLU A 748 4.328 -8.729 1.812 1.00 0.00 O ATOM 427 OE2 GLU A 748 4.826 -9.917 0.031 1.00 0.00 O ATOM 0 H GLU A 748 6.490 -5.457 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 748 3.812 -5.113 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.238 -6.531 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.870 -6.354 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.441 -7.340 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 748 4.957 -7.777 -1.227 1.00 0.00 H new ATOM 434 N HIS A 749 6.037 -3.465 1.087 1.00 0.00 N ATOM 435 CA HIS A 749 6.213 -2.395 2.059 1.00 0.00 C ATOM 436 C HIS A 749 5.574 -1.114 1.540 1.00 0.00 C ATOM 437 O HIS A 749 4.785 -0.472 2.235 1.00 0.00 O ATOM 438 CB HIS A 749 7.709 -2.194 2.337 1.00 0.00 C ATOM 439 CG HIS A 749 8.074 -0.824 2.819 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.147 -0.472 4.146 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.414 0.288 2.117 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.523 0.811 4.210 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.698 1.316 3.005 1.00 0.00 N ATOM 0 H HIS A 749 6.906 -3.803 0.673 1.00 0.00 H new ATOM 0 HA HIS A 749 5.722 -2.664 2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.028 -2.924 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.266 -2.404 1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.950 -1.080 4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.457 0.361 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.665 1.361 5.129 1.00 0.00 H new ATOM 451 N VAL A 750 5.905 -0.764 0.305 1.00 0.00 N ATOM 452 CA VAL A 750 5.348 0.424 -0.327 1.00 0.00 C ATOM 453 C VAL A 750 3.826 0.329 -0.369 1.00 0.00 C ATOM 454 O VAL A 750 3.122 1.300 -0.100 1.00 0.00 O ATOM 455 CB VAL A 750 5.887 0.594 -1.761 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.259 1.801 -2.448 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.406 0.709 -1.751 1.00 0.00 C ATOM 0 H VAL A 750 6.557 -1.286 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 750 5.647 1.290 0.264 1.00 0.00 H new ATOM 0 HB VAL A 750 5.611 -0.293 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.659 1.894 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.178 1.670 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.490 2.703 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.769 0.828 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.701 1.574 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.836 -0.193 -1.316 1.00 0.00 H new ATOM 467 N GLU A 751 3.332 -0.860 -0.704 1.00 0.00 N ATOM 468 CA GLU A 751 1.897 -1.103 -0.777 1.00 0.00 C ATOM 469 C GLU A 751 1.282 -1.122 0.618 1.00 0.00 C ATOM 470 O GLU A 751 0.099 -0.831 0.789 1.00 0.00 O ATOM 471 CB GLU A 751 1.620 -2.428 -1.490 1.00 0.00 C ATOM 472 CG GLU A 751 1.907 -2.391 -2.982 1.00 0.00 C ATOM 473 CD GLU A 751 1.214 -3.509 -3.736 1.00 0.00 C ATOM 474 OE1 GLU A 751 1.329 -4.675 -3.306 1.00 0.00 O ATOM 475 OE2 GLU A 751 0.557 -3.218 -4.757 1.00 0.00 O ATOM 0 H GLU A 751 3.908 -1.671 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 751 1.441 -0.292 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.225 -3.210 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.576 -2.702 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.586 -1.431 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.983 -2.461 -3.143 1.00 0.00 H new ATOM 482 N SER A 752 2.092 -1.464 1.615 1.00 0.00 N ATOM 483 CA SER A 752 1.621 -1.512 2.994 1.00 0.00 C ATOM 484 C SER A 752 1.033 -0.167 3.402 1.00 0.00 C ATOM 485 O SER A 752 0.028 -0.103 4.111 1.00 0.00 O ATOM 486 CB SER A 752 2.765 -1.890 3.936 1.00 0.00 C ATOM 487 OG SER A 752 2.308 -2.730 4.982 1.00 0.00 O ATOM 0 H SER A 752 3.074 -1.711 1.494 1.00 0.00 H new ATOM 0 HA SER A 752 0.843 -2.272 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.550 -2.397 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.207 -0.987 4.357 1.00 0.00 H new ATOM 0 HG SER A 752 3.058 -2.959 5.569 1.00 0.00 H new ATOM 493 N HIS A 753 1.667 0.907 2.942 1.00 0.00 N ATOM 494 CA HIS A 753 1.207 2.257 3.251 1.00 0.00 C ATOM 495 C HIS A 753 -0.055 2.601 2.462 1.00 0.00 C ATOM 496 O HIS A 753 -0.840 3.455 2.873 1.00 0.00 O ATOM 497 CB HIS A 753 2.302 3.278 2.937 1.00 0.00 C ATOM 498 CG HIS A 753 3.647 2.899 3.472 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.060 3.158 4.759 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.683 2.264 2.866 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.306 2.687 4.895 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.730 2.133 3.776 1.00 0.00 N ATOM 0 H HIS A 753 2.500 0.869 2.354 1.00 0.00 H new ATOM 0 HA HIS A 753 0.973 2.294 4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.372 3.402 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.015 4.245 3.351 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.513 3.626 5.482 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.694 1.916 1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.888 2.752 5.803 1.00 0.00 H new ATOM 510 N TRP A 754 -0.245 1.931 1.329 1.00 0.00 N ATOM 511 CA TRP A 754 -1.413 2.166 0.488 1.00 0.00 C ATOM 512 C TRP A 754 -2.688 1.710 1.186 1.00 0.00 C ATOM 513 O TRP A 754 -2.641 0.946 2.151 1.00 0.00 O ATOM 514 CB TRP A 754 -1.272 1.422 -0.841 1.00 0.00 C ATOM 515 CG TRP A 754 -0.334 2.075 -1.809 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.753 2.844 -1.516 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.405 2.006 -3.235 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.362 3.257 -2.678 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.668 2.756 -3.746 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.275 1.382 -4.129 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.895 2.898 -5.113 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.052 1.522 -5.486 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.027 2.274 -5.967 1.00 0.00 C ATOM 0 H TRP A 754 0.395 1.221 0.973 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.477 3.238 0.300 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.925 0.408 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.255 1.338 -1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.086 3.092 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.196 3.842 -2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.109 0.799 -3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.726 3.479 -5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.721 1.044 -6.186 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.177 2.363 -7.033 1.00 0.00 H new ATOM 534 N LYS A 755 -3.829 2.165 0.679 1.00 0.00 N ATOM 535 CA LYS A 755 -5.120 1.784 1.238 1.00 0.00 C ATOM 536 C LYS A 755 -5.583 0.482 0.606 1.00 0.00 C ATOM 537 O LYS A 755 -5.818 0.424 -0.596 1.00 0.00 O ATOM 538 CB LYS A 755 -6.152 2.887 0.991 1.00 0.00 C ATOM 539 CG LYS A 755 -6.059 4.042 1.974 1.00 0.00 C ATOM 540 CD LYS A 755 -6.327 5.375 1.292 1.00 0.00 C ATOM 541 CE LYS A 755 -6.938 6.380 2.254 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.896 7.124 3.015 1.00 0.00 N ATOM 0 H LYS A 755 -3.885 2.798 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.016 1.644 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -6.024 3.272 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.152 2.456 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.777 3.894 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.068 4.057 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.395 5.774 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.999 5.224 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.555 7.086 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.596 5.862 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.353 7.800 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.323 6.453 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.283 7.640 2.351 1.00 0.00 H new ATOM 556 N VAL A 756 -5.691 -0.571 1.409 1.00 0.00 N ATOM 557 CA VAL A 756 -6.104 -1.867 0.885 1.00 0.00 C ATOM 558 C VAL A 756 -7.352 -2.398 1.569 1.00 0.00 C ATOM 559 O VAL A 756 -7.467 -2.379 2.794 1.00 0.00 O ATOM 560 CB VAL A 756 -4.982 -2.912 1.027 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.360 -4.207 0.322 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.681 -2.365 0.474 1.00 0.00 C ATOM 0 H VAL A 756 -5.501 -0.554 2.411 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.327 -1.704 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.845 -3.129 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.553 -4.931 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.272 -4.608 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.525 -4.010 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.897 -3.114 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.808 -2.121 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.401 -1.466 1.024 1.00 0.00 H new ATOM 572 N CYS A 757 -8.272 -2.895 0.755 1.00 0.00 N ATOM 573 CA CYS A 757 -9.513 -3.469 1.257 1.00 0.00 C ATOM 574 C CYS A 757 -9.248 -4.874 1.799 1.00 0.00 C ATOM 575 O CYS A 757 -8.618 -5.692 1.132 1.00 0.00 O ATOM 576 CB CYS A 757 -10.560 -3.510 0.142 1.00 0.00 C ATOM 577 SG CYS A 757 -12.213 -3.992 0.694 1.00 0.00 S ATOM 0 H CYS A 757 -8.182 -2.912 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.897 -2.848 2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.617 -2.526 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.228 -4.208 -0.627 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.497 -5.174 0.233 1.00 0.00 H new ATOM 582 N PRO A 758 -9.704 -5.170 3.031 1.00 0.00 N ATOM 583 CA PRO A 758 -9.484 -6.470 3.660 1.00 0.00 C ATOM 584 C PRO A 758 -10.539 -7.512 3.299 1.00 0.00 C ATOM 585 O PRO A 758 -10.394 -8.688 3.636 1.00 0.00 O ATOM 586 CB PRO A 758 -9.559 -6.130 5.144 1.00 0.00 C ATOM 587 CG PRO A 758 -10.538 -5.007 5.225 1.00 0.00 C ATOM 588 CD PRO A 758 -10.445 -4.253 3.919 1.00 0.00 C ATOM 0 HA PRO A 758 -8.546 -6.923 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.890 -6.987 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.584 -5.835 5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.548 -5.385 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.308 -4.353 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.433 -4.022 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.921 -3.305 4.041 1.00 0.00 H new ATOM 596 N MET A 759 -11.603 -7.087 2.628 1.00 0.00 N ATOM 597 CA MET A 759 -12.669 -8.008 2.249 1.00 0.00 C ATOM 598 C MET A 759 -12.380 -8.684 0.911 1.00 0.00 C ATOM 599 O MET A 759 -12.851 -9.793 0.655 1.00 0.00 O ATOM 600 CB MET A 759 -14.006 -7.273 2.195 1.00 0.00 C ATOM 601 CG MET A 759 -14.486 -6.794 3.557 1.00 0.00 C ATOM 602 SD MET A 759 -14.626 -8.134 4.756 1.00 0.00 S ATOM 603 CE MET A 759 -14.580 -7.217 6.293 1.00 0.00 C ATOM 0 H MET A 759 -11.751 -6.121 2.337 1.00 0.00 H new ATOM 0 HA MET A 759 -12.721 -8.788 3.008 1.00 0.00 H new ATOM 0 HB2 MET A 759 -13.915 -6.416 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 759 -14.758 -7.933 1.764 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.795 -6.042 3.938 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.456 -6.308 3.446 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.354 -7.896 7.115 1.00 0.00 H new ATOM 0 HE2 MET A 759 -13.810 -6.448 6.235 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.549 -6.748 6.466 1.00 0.00 H new ATOM 613 N CYS A 760 -11.603 -8.019 0.061 1.00 0.00 N ATOM 614 CA CYS A 760 -11.259 -8.575 -1.247 1.00 0.00 C ATOM 615 C CYS A 760 -9.748 -8.556 -1.484 1.00 0.00 C ATOM 616 O CYS A 760 -9.222 -9.393 -2.218 1.00 0.00 O ATOM 617 CB CYS A 760 -11.971 -7.806 -2.357 1.00 0.00 C ATOM 618 SG CYS A 760 -11.381 -6.112 -2.569 1.00 0.00 S ATOM 0 H CYS A 760 -11.201 -7.101 0.251 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.590 -9.613 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -11.845 -8.344 -3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.039 -7.784 -2.143 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.325 -5.280 -2.244 1.00 0.00 H new ATOM 623 N SER A 761 -9.060 -7.595 -0.860 1.00 0.00 N ATOM 624 CA SER A 761 -7.606 -7.451 -0.990 1.00 0.00 C ATOM 625 C SER A 761 -7.233 -6.554 -2.171 1.00 0.00 C ATOM 626 O SER A 761 -6.246 -6.804 -2.863 1.00 0.00 O ATOM 627 CB SER A 761 -6.919 -8.817 -1.127 1.00 0.00 C ATOM 628 OG SER A 761 -6.782 -9.192 -2.487 1.00 0.00 O ATOM 0 H SER A 761 -9.492 -6.898 -0.253 1.00 0.00 H new ATOM 0 HA SER A 761 -7.251 -6.976 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 761 -5.936 -8.781 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.498 -9.572 -0.596 1.00 0.00 H new ATOM 0 HG SER A 761 -7.670 -9.307 -2.886 1.00 0.00 H new ATOM 634 N GLU A 762 -8.016 -5.499 -2.384 1.00 0.00 N ATOM 635 CA GLU A 762 -7.750 -4.557 -3.469 1.00 0.00 C ATOM 636 C GLU A 762 -6.775 -3.488 -3.006 1.00 0.00 C ATOM 637 O GLU A 762 -6.767 -3.117 -1.833 1.00 0.00 O ATOM 638 CB GLU A 762 -9.049 -3.901 -3.944 1.00 0.00 C ATOM 639 CG GLU A 762 -8.907 -3.158 -5.263 1.00 0.00 C ATOM 640 CD GLU A 762 -9.566 -3.889 -6.418 1.00 0.00 C ATOM 641 OE1 GLU A 762 -10.800 -3.768 -6.570 1.00 0.00 O ATOM 642 OE2 GLU A 762 -8.847 -4.582 -7.168 1.00 0.00 O ATOM 0 H GLU A 762 -8.837 -5.275 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.311 -5.108 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.817 -4.668 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.396 -3.205 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.348 -2.166 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -7.849 -3.016 -5.484 1.00 0.00 H new ATOM 649 N GLN A 763 -5.951 -2.990 -3.924 1.00 0.00 N ATOM 650 CA GLN A 763 -4.986 -1.963 -3.567 1.00 0.00 C ATOM 651 C GLN A 763 -5.420 -0.602 -4.096 1.00 0.00 C ATOM 652 O GLN A 763 -5.757 -0.449 -5.270 1.00 0.00 O ATOM 653 CB GLN A 763 -3.607 -2.320 -4.132 1.00 0.00 C ATOM 654 CG GLN A 763 -2.587 -2.689 -3.068 1.00 0.00 C ATOM 655 CD GLN A 763 -1.977 -1.475 -2.396 1.00 0.00 C ATOM 656 OE1 GLN A 763 -2.575 -0.884 -1.497 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.786 -1.088 -2.836 1.00 0.00 N ATOM 0 H GLN A 763 -5.933 -3.277 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.931 -1.911 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.713 -3.154 -4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.230 -1.474 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.065 -3.315 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -1.795 -3.285 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -0.325 -1.607 -3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.332 -0.272 -2.427 1.00 0.00 H new ATOM 666 N PHE A 764 -5.389 0.381 -3.210 1.00 0.00 N ATOM 667 CA PHE A 764 -5.756 1.750 -3.553 1.00 0.00 C ATOM 668 C PHE A 764 -4.578 2.700 -3.329 1.00 0.00 C ATOM 669 O PHE A 764 -4.125 2.871 -2.196 1.00 0.00 O ATOM 670 CB PHE A 764 -6.964 2.195 -2.727 1.00 0.00 C ATOM 671 CG PHE A 764 -8.185 1.350 -2.958 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.413 0.214 -2.198 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.100 1.687 -3.942 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.531 -0.568 -2.413 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.220 0.908 -4.163 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.435 -0.221 -3.396 1.00 0.00 C ATOM 0 H PHE A 764 -5.110 0.256 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 764 -6.022 1.781 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.704 2.164 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.198 3.232 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.708 -0.063 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.936 2.569 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.697 -1.450 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.926 1.181 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.310 -0.831 -3.566 1.00 0.00 H new ATOM 686 N PRO A 765 -4.060 3.333 -4.396 1.00 0.00 N ATOM 687 CA PRO A 765 -2.930 4.264 -4.281 1.00 0.00 C ATOM 688 C PRO A 765 -3.236 5.426 -3.338 1.00 0.00 C ATOM 689 O PRO A 765 -4.387 5.838 -3.202 1.00 0.00 O ATOM 690 CB PRO A 765 -2.733 4.774 -5.712 1.00 0.00 C ATOM 691 CG PRO A 765 -3.356 3.733 -6.574 1.00 0.00 C ATOM 692 CD PRO A 765 -4.519 3.199 -5.788 1.00 0.00 C ATOM 0 HA PRO A 765 -2.046 3.781 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.209 5.744 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.676 4.900 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.686 4.156 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.645 2.941 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.428 3.772 -5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.738 2.162 -6.044 1.00 0.00 H new ATOM 700 N PRO A 766 -2.204 5.969 -2.669 1.00 0.00 N ATOM 701 CA PRO A 766 -2.369 7.087 -1.733 1.00 0.00 C ATOM 702 C PRO A 766 -3.111 8.263 -2.357 1.00 0.00 C ATOM 703 O PRO A 766 -3.731 9.061 -1.654 1.00 0.00 O ATOM 704 CB PRO A 766 -0.931 7.484 -1.392 1.00 0.00 C ATOM 705 CG PRO A 766 -0.129 6.252 -1.631 1.00 0.00 C ATOM 706 CD PRO A 766 -0.798 5.537 -2.771 1.00 0.00 C ATOM 0 HA PRO A 766 -2.964 6.804 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.588 8.307 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.847 7.816 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.903 6.500 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -0.102 5.625 -0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.361 5.814 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.703 4.455 -2.678 1.00 0.00 H new ATOM 714 N ASP A 767 -3.044 8.365 -3.681 1.00 0.00 N ATOM 715 CA ASP A 767 -3.712 9.445 -4.398 1.00 0.00 C ATOM 716 C ASP A 767 -5.192 9.132 -4.613 1.00 0.00 C ATOM 717 O ASP A 767 -5.970 10.006 -4.995 1.00 0.00 O ATOM 718 CB ASP A 767 -3.031 9.687 -5.746 1.00 0.00 C ATOM 719 CG ASP A 767 -3.380 11.038 -6.337 1.00 0.00 C ATOM 720 OD1 ASP A 767 -3.551 12.001 -5.559 1.00 0.00 O ATOM 721 OD2 ASP A 767 -3.482 11.135 -7.578 1.00 0.00 O ATOM 0 H ASP A 767 -2.535 7.714 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.637 10.347 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -1.950 9.616 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.323 8.902 -6.444 1.00 0.00 H new ATOM 726 N TYR A 768 -5.577 7.883 -4.362 1.00 0.00 N ATOM 727 CA TYR A 768 -6.962 7.463 -4.528 1.00 0.00 C ATOM 728 C TYR A 768 -7.861 8.148 -3.504 1.00 0.00 C ATOM 729 O TYR A 768 -7.493 8.292 -2.339 1.00 0.00 O ATOM 730 CB TYR A 768 -7.078 5.945 -4.388 1.00 0.00 C ATOM 731 CG TYR A 768 -8.102 5.328 -5.312 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.801 5.075 -6.644 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.371 4.998 -4.851 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.736 4.511 -7.492 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.310 4.434 -5.693 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.988 4.192 -7.011 1.00 0.00 C ATOM 737 OH TYR A 768 -10.921 3.630 -7.852 1.00 0.00 O ATOM 0 H TYR A 768 -4.948 7.146 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.287 7.754 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.105 5.495 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.338 5.703 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.821 5.323 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.627 5.185 -3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.487 4.321 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.292 4.184 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.751 3.465 -7.357 1.00 0.00 H new ATOM 747 N ASP A 769 -9.043 8.563 -3.947 1.00 0.00 N ATOM 748 CA ASP A 769 -9.994 9.229 -3.065 1.00 0.00 C ATOM 749 C ASP A 769 -10.492 8.273 -1.987 1.00 0.00 C ATOM 750 O ASP A 769 -11.032 7.209 -2.288 1.00 0.00 O ATOM 751 CB ASP A 769 -11.178 9.769 -3.873 1.00 0.00 C ATOM 752 CG ASP A 769 -10.984 11.215 -4.285 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.334 11.966 -3.527 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.485 11.597 -5.363 1.00 0.00 O ATOM 0 H ASP A 769 -9.365 8.450 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.484 10.062 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.317 9.156 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -12.089 9.682 -3.281 1.00 0.00 H new ATOM 759 N GLN A 770 -10.306 8.659 -0.728 1.00 0.00 N ATOM 760 CA GLN A 770 -10.737 7.833 0.396 1.00 0.00 C ATOM 761 C GLN A 770 -12.226 7.514 0.297 1.00 0.00 C ATOM 762 O GLN A 770 -12.676 6.459 0.743 1.00 0.00 O ATOM 763 CB GLN A 770 -10.437 8.542 1.719 1.00 0.00 C ATOM 764 CG GLN A 770 -9.750 7.653 2.742 1.00 0.00 C ATOM 765 CD GLN A 770 -10.665 7.261 3.885 1.00 0.00 C ATOM 766 OE1 GLN A 770 -11.148 8.114 4.629 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.910 5.964 4.028 1.00 0.00 N ATOM 0 H GLN A 770 -9.861 9.537 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.183 6.895 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.807 9.410 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.370 8.915 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.386 6.752 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.879 8.172 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.488 5.292 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -11.520 5.640 4.778 1.00 0.00 H new ATOM 776 N GLN A 771 -12.985 8.432 -0.293 1.00 0.00 N ATOM 777 CA GLN A 771 -14.422 8.244 -0.453 1.00 0.00 C ATOM 778 C GLN A 771 -14.709 7.001 -1.288 1.00 0.00 C ATOM 779 O GLN A 771 -15.567 6.189 -0.939 1.00 0.00 O ATOM 780 CB GLN A 771 -15.048 9.477 -1.111 1.00 0.00 C ATOM 781 CG GLN A 771 -16.054 10.194 -0.224 1.00 0.00 C ATOM 782 CD GLN A 771 -16.779 11.309 -0.949 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.295 11.118 -2.050 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.824 12.485 -0.332 1.00 0.00 N ATOM 0 H GLN A 771 -12.630 9.312 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.864 8.109 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.256 10.174 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.541 9.175 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.783 9.474 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -15.539 10.605 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.383 12.599 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.300 13.273 -0.771 1.00 0.00 H new ATOM 793 N VAL A 772 -13.980 6.854 -2.390 1.00 0.00 N ATOM 794 CA VAL A 772 -14.151 5.708 -3.273 1.00 0.00 C ATOM 795 C VAL A 772 -13.713 4.422 -2.583 1.00 0.00 C ATOM 796 O VAL A 772 -14.326 3.369 -2.760 1.00 0.00 O ATOM 797 CB VAL A 772 -13.353 5.876 -4.579 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.705 4.776 -5.567 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.605 7.248 -5.185 1.00 0.00 C ATOM 0 H VAL A 772 -13.265 7.516 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.212 5.648 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.291 5.796 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.131 4.912 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.467 3.806 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.770 4.820 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -13.033 7.349 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.667 7.360 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.296 8.020 -4.480 1.00 0.00 H new ATOM 809 N PHE A 773 -12.650 4.512 -1.793 1.00 0.00 N ATOM 810 CA PHE A 773 -12.146 3.351 -1.076 1.00 0.00 C ATOM 811 C PHE A 773 -13.135 2.908 -0.003 1.00 0.00 C ATOM 812 O PHE A 773 -13.504 1.736 0.069 1.00 0.00 O ATOM 813 CB PHE A 773 -10.789 3.651 -0.433 1.00 0.00 C ATOM 814 CG PHE A 773 -10.330 2.569 0.503 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.352 1.240 0.105 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.895 2.876 1.780 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.944 0.240 0.965 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.489 1.878 2.646 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.513 0.559 2.238 1.00 0.00 C ATOM 0 H PHE A 773 -12.124 5.372 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.021 2.545 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.044 3.786 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.852 4.593 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.692 0.985 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.872 3.906 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.962 -0.791 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.153 2.130 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.195 -0.222 2.913 1.00 0.00 H new ATOM 829 N GLU A 774 -13.558 3.855 0.832 1.00 0.00 N ATOM 830 CA GLU A 774 -14.498 3.563 1.907 1.00 0.00 C ATOM 831 C GLU A 774 -15.756 2.910 1.357 1.00 0.00 C ATOM 832 O GLU A 774 -16.225 1.900 1.881 1.00 0.00 O ATOM 833 CB GLU A 774 -14.858 4.843 2.663 1.00 0.00 C ATOM 834 CG GLU A 774 -13.990 5.091 3.885 1.00 0.00 C ATOM 835 CD GLU A 774 -14.346 4.186 5.047 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.518 4.205 5.476 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.453 3.457 5.527 1.00 0.00 O ATOM 0 H GLU A 774 -13.264 4.830 0.783 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.020 2.869 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.769 5.692 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.902 4.791 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.944 4.940 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -14.094 6.131 4.194 1.00 0.00 H new ATOM 844 N ARG A 775 -16.291 3.486 0.288 1.00 0.00 N ATOM 845 CA ARG A 775 -17.485 2.948 -0.339 1.00 0.00 C ATOM 846 C ARG A 775 -17.214 1.540 -0.860 1.00 0.00 C ATOM 847 O ARG A 775 -18.057 0.650 -0.746 1.00 0.00 O ATOM 848 CB ARG A 775 -17.961 3.878 -1.465 1.00 0.00 C ATOM 849 CG ARG A 775 -17.215 3.715 -2.780 1.00 0.00 C ATOM 850 CD ARG A 775 -17.950 4.387 -3.929 1.00 0.00 C ATOM 851 NE ARG A 775 -19.239 3.753 -4.204 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.392 4.137 -3.655 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.427 5.142 -2.789 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.515 3.508 -3.973 1.00 0.00 N ATOM 0 H ARG A 775 -15.917 4.323 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.281 2.887 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -19.022 3.701 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.861 4.911 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.216 4.142 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -17.090 2.655 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.107 5.439 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.331 4.351 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.257 2.969 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.567 5.629 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -21.314 5.428 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.495 2.733 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -22.399 3.799 -3.555 1.00 0.00 H new ATOM 868 N HIS A 776 -16.022 1.342 -1.420 1.00 0.00 N ATOM 869 CA HIS A 776 -15.633 0.039 -1.945 1.00 0.00 C ATOM 870 C HIS A 776 -15.582 -0.995 -0.826 1.00 0.00 C ATOM 871 O HIS A 776 -16.133 -2.088 -0.953 1.00 0.00 O ATOM 872 CB HIS A 776 -14.268 0.128 -2.636 1.00 0.00 C ATOM 873 CG HIS A 776 -13.570 -1.193 -2.754 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.637 -1.999 -3.866 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.785 -1.852 -1.861 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.911 -3.097 -3.620 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.372 -3.054 -2.420 1.00 0.00 N ATOM 0 H HIS A 776 -15.312 2.067 -1.521 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.380 -0.272 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.401 0.550 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.633 0.817 -2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.148 -1.797 -4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.524 -1.497 -0.875 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.784 -3.913 -4.316 1.00 0.00 H new ATOM 885 N VAL A 777 -14.920 -0.643 0.270 1.00 0.00 N ATOM 886 CA VAL A 777 -14.811 -1.550 1.406 1.00 0.00 C ATOM 887 C VAL A 777 -16.180 -1.762 2.038 1.00 0.00 C ATOM 888 O VAL A 777 -16.474 -2.831 2.573 1.00 0.00 O ATOM 889 CB VAL A 777 -13.830 -1.041 2.484 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.205 -2.211 3.224 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.749 -0.158 1.882 1.00 0.00 C ATOM 0 H VAL A 777 -14.454 0.256 0.396 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.419 -2.491 1.019 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.398 -0.436 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.516 -1.836 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.988 -2.798 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.662 -2.840 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.077 0.182 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.184 -0.727 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.210 0.705 1.401 1.00 0.00 H new ATOM 901 N GLN A 778 -17.019 -0.731 1.963 1.00 0.00 N ATOM 902 CA GLN A 778 -18.365 -0.794 2.514 1.00 0.00 C ATOM 903 C GLN A 778 -19.215 -1.797 1.743 1.00 0.00 C ATOM 904 O GLN A 778 -20.062 -2.480 2.319 1.00 0.00 O ATOM 905 CB GLN A 778 -19.022 0.587 2.473 1.00 0.00 C ATOM 906 CG GLN A 778 -18.632 1.483 3.637 1.00 0.00 C ATOM 907 CD GLN A 778 -19.067 0.922 4.976 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.205 0.484 5.138 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.159 0.934 5.945 1.00 0.00 N ATOM 0 H GLN A 778 -16.786 0.160 1.524 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.294 -1.122 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.752 1.081 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -20.105 0.464 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.551 1.620 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -19.078 2.468 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.227 1.307 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.394 0.570 6.868 1.00 0.00 H new ATOM 918 N THR A 779 -18.982 -1.881 0.437 1.00 0.00 N ATOM 919 CA THR A 779 -19.725 -2.800 -0.411 1.00 0.00 C ATOM 920 C THR A 779 -19.543 -4.240 0.051 1.00 0.00 C ATOM 921 O THR A 779 -20.400 -5.091 -0.185 1.00 0.00 O ATOM 922 CB THR A 779 -19.281 -2.656 -1.865 1.00 0.00 C ATOM 923 OG1 THR A 779 -18.002 -3.232 -2.061 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.216 -1.219 -2.333 1.00 0.00 C ATOM 0 H THR A 779 -18.284 -1.323 -0.055 1.00 0.00 H new ATOM 0 HA THR A 779 -20.783 -2.548 -0.335 1.00 0.00 H new ATOM 0 HB THR A 779 -20.040 -3.176 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 779 -17.421 -3.002 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.894 -1.190 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 779 -20.202 -0.763 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.505 -0.668 -1.718 1.00 0.00 H new ATOM 932 N HIS A 780 -18.421 -4.506 0.708 1.00 0.00 N ATOM 933 CA HIS A 780 -18.126 -5.842 1.202 1.00 0.00 C ATOM 934 C HIS A 780 -18.797 -6.089 2.551 1.00 0.00 C ATOM 935 O HIS A 780 -19.154 -7.220 2.879 1.00 0.00 O ATOM 936 CB HIS A 780 -16.617 -6.031 1.327 1.00 0.00 C ATOM 937 CG HIS A 780 -15.895 -5.936 0.020 1.00 0.00 C ATOM 938 ND1 HIS A 780 -15.924 -6.917 -0.945 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.115 -4.942 -0.480 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.178 -6.501 -1.976 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.665 -5.308 -1.744 1.00 0.00 N ATOM 0 H HIS A 780 -17.701 -3.813 0.910 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.522 -6.564 0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.220 -5.279 2.008 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.416 -7.004 1.774 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.425 -7.804 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.882 -4.016 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.017 -7.069 -2.881 1.00 0.00 H new ATOM 949 N PHE A 781 -18.966 -5.024 3.328 1.00 0.00 N ATOM 950 CA PHE A 781 -19.594 -5.129 4.640 1.00 0.00 C ATOM 951 C PHE A 781 -21.090 -5.403 4.506 1.00 0.00 C ATOM 952 O PHE A 781 -21.700 -6.010 5.385 1.00 0.00 O ATOM 953 CB PHE A 781 -19.366 -3.845 5.443 1.00 0.00 C ATOM 954 CG PHE A 781 -17.920 -3.452 5.563 1.00 0.00 C ATOM 955 CD1 PHE A 781 -16.920 -4.413 5.586 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.562 -2.118 5.655 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.592 -4.048 5.697 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.235 -1.747 5.766 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.248 -2.714 5.786 1.00 0.00 C ATOM 0 H PHE A 781 -18.677 -4.080 3.072 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.136 -5.965 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.916 -3.031 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.782 -3.974 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.182 -5.458 5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.329 -1.358 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.823 -4.806 5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.970 -0.702 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.210 -2.427 5.871 1.00 0.00 H new ATOM 969 N ASP A 782 -21.673 -4.952 3.399 1.00 0.00 N ATOM 970 CA ASP A 782 -23.096 -5.150 3.150 1.00 0.00 C ATOM 971 C ASP A 782 -23.329 -6.329 2.207 1.00 0.00 C ATOM 972 O ASP A 782 -24.413 -6.910 2.183 1.00 0.00 O ATOM 973 CB ASP A 782 -23.712 -3.880 2.557 1.00 0.00 C ATOM 974 CG ASP A 782 -25.181 -3.735 2.905 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.490 -3.511 4.094 1.00 0.00 O ATOM 976 OD2 ASP A 782 -26.021 -3.846 1.987 1.00 0.00 O ATOM 0 H ASP A 782 -21.182 -4.447 2.661 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.577 -5.371 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.167 -3.010 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.598 -3.896 1.473 1.00 0.00 H new