USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -117:sc= -5.97! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.46! USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.74 K(o=-13,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.11 X(o=-13,f=-14) USER MOD Set 2.1: A 730 CYS SG : rot -143:sc= -3.81! USER MOD Set 2.2: A 733 CYS SG : rot 15:sc= -1.69 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.54 K(o=-11,f=-19!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.31 K(o=-11,f=-14!) USER MOD Single : A 727 HIS : no HD1:sc= -5.19! K(o=-5.2!,f=-3.6) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ -155:sc= 0.108 (180deg=0.0127) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.39) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 743 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) 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 -144:sc= -0.115 (180deg=-1.18) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -5.71 K(o=-5.7,f=-13!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -3.38 K(o=-3.4,f=-5.2!) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.61) USER MOD Single : A 779 THR OG1 : rot 103:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.764 2.842 -0.838 1.00 0.00 N ATOM 74 CA HIS A 727 19.682 2.282 -0.038 1.00 0.00 C ATOM 75 C HIS A 727 18.323 2.611 -0.647 1.00 0.00 C ATOM 76 O HIS A 727 18.116 3.705 -1.172 1.00 0.00 O ATOM 77 CB HIS A 727 19.749 2.818 1.393 1.00 0.00 C ATOM 78 CG HIS A 727 20.635 2.014 2.293 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.191 2.519 3.450 1.00 0.00 N ATOM 80 CD2 HIS A 727 21.060 0.733 2.202 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.920 1.582 4.031 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.856 0.489 3.294 1.00 0.00 N ATOM 0 HA HIS A 727 19.802 1.199 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.106 3.847 1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.743 2.839 1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.818 0.032 1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.474 1.692 4.952 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.322 -0.394 3.502 1.00 0.00 H new ATOM 91 N LYS A 728 17.398 1.660 -0.566 1.00 0.00 N ATOM 92 CA LYS A 728 16.057 1.854 -1.105 1.00 0.00 C ATOM 93 C LYS A 728 15.202 2.661 -0.134 1.00 0.00 C ATOM 94 O LYS A 728 15.043 2.285 1.028 1.00 0.00 O ATOM 95 CB LYS A 728 15.392 0.506 -1.389 1.00 0.00 C ATOM 96 CG LYS A 728 15.566 0.031 -2.823 1.00 0.00 C ATOM 97 CD LYS A 728 14.326 0.306 -3.656 1.00 0.00 C ATOM 98 CE LYS A 728 14.167 -0.713 -4.772 1.00 0.00 C ATOM 99 NZ LYS A 728 15.223 -0.568 -5.811 1.00 0.00 N ATOM 0 H LYS A 728 17.552 0.749 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 728 16.143 2.407 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.806 -0.243 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.328 0.582 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 728 16.425 0.531 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 728 15.780 -1.038 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 728 13.444 0.286 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.388 1.307 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.205 -1.719 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.186 -0.597 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.079 -1.281 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.171 0.383 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 16.158 -0.704 -5.377 1.00 0.00 H new ATOM 113 N LYS A 729 14.657 3.772 -0.617 1.00 0.00 N ATOM 114 CA LYS A 729 13.821 4.632 0.210 1.00 0.00 C ATOM 115 C LYS A 729 12.390 4.669 -0.314 1.00 0.00 C ATOM 116 O LYS A 729 12.144 5.083 -1.448 1.00 0.00 O ATOM 117 CB LYS A 729 14.397 6.049 0.250 1.00 0.00 C ATOM 118 CG LYS A 729 14.043 6.815 1.514 1.00 0.00 C ATOM 119 CD LYS A 729 14.486 8.266 1.427 1.00 0.00 C ATOM 120 CE LYS A 729 13.798 9.124 2.476 1.00 0.00 C ATOM 121 NZ LYS A 729 14.316 10.521 2.480 1.00 0.00 N ATOM 0 H LYS A 729 14.779 4.097 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 729 13.808 4.221 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.482 5.994 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 729 14.034 6.604 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.966 6.771 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 729 14.516 6.340 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 729 15.566 8.326 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 729 14.264 8.656 0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.724 9.136 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 729 13.944 8.680 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.167 10.944 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.333 10.515 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 13.810 11.081 1.764 1.00 0.00 H new ATOM 135 N CYS A 730 11.448 4.239 0.518 1.00 0.00 N ATOM 136 CA CYS A 730 10.042 4.228 0.138 1.00 0.00 C ATOM 137 C CYS A 730 9.440 5.627 0.278 1.00 0.00 C ATOM 138 O CYS A 730 9.401 6.186 1.373 1.00 0.00 O ATOM 139 CB CYS A 730 9.271 3.223 0.997 1.00 0.00 C ATOM 140 SG CYS A 730 7.482 3.247 0.744 1.00 0.00 S ATOM 0 H CYS A 730 11.633 3.894 1.460 1.00 0.00 H new ATOM 0 HA CYS A 730 9.964 3.925 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.643 2.221 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.480 3.425 2.048 1.00 0.00 H new ATOM 0 HG CYS A 730 6.880 3.050 1.880 1.00 0.00 H new ATOM 145 N PRO A 731 8.975 6.219 -0.838 1.00 0.00 N ATOM 146 CA PRO A 731 8.392 7.566 -0.836 1.00 0.00 C ATOM 147 C PRO A 731 7.239 7.722 0.153 1.00 0.00 C ATOM 148 O PRO A 731 6.923 8.834 0.577 1.00 0.00 O ATOM 149 CB PRO A 731 7.886 7.742 -2.270 1.00 0.00 C ATOM 150 CG PRO A 731 8.713 6.808 -3.082 1.00 0.00 C ATOM 151 CD PRO A 731 8.997 5.632 -2.192 1.00 0.00 C ATOM 0 HA PRO A 731 9.125 8.312 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.826 7.501 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.005 8.771 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 731 8.182 6.498 -3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.638 7.285 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.245 4.851 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.962 5.179 -2.419 1.00 0.00 H new ATOM 159 N LEU A 732 6.606 6.611 0.508 1.00 0.00 N ATOM 160 CA LEU A 732 5.480 6.640 1.437 1.00 0.00 C ATOM 161 C LEU A 732 5.941 6.760 2.888 1.00 0.00 C ATOM 162 O LEU A 732 5.130 7.001 3.782 1.00 0.00 O ATOM 163 CB LEU A 732 4.624 5.386 1.266 1.00 0.00 C ATOM 164 CG LEU A 732 3.815 5.339 -0.026 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.562 3.902 -0.449 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.504 6.088 0.149 1.00 0.00 C ATOM 0 H LEU A 732 6.851 5.681 0.169 1.00 0.00 H new ATOM 0 HA LEU A 732 4.886 7.523 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.273 4.511 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.939 5.312 2.111 1.00 0.00 H new ATOM 0 HG LEU A 732 4.390 5.826 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 732 2.983 3.891 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.514 3.397 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.006 3.385 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.935 6.048 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.925 5.627 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.710 7.128 0.403 1.00 0.00 H new ATOM 178 N CYS A 733 7.238 6.590 3.122 1.00 0.00 N ATOM 179 CA CYS A 733 7.778 6.683 4.473 1.00 0.00 C ATOM 180 C CYS A 733 9.234 7.136 4.453 1.00 0.00 C ATOM 181 O CYS A 733 9.761 7.525 3.411 1.00 0.00 O ATOM 182 CB CYS A 733 7.655 5.331 5.180 1.00 0.00 C ATOM 183 SG CYS A 733 8.701 4.034 4.483 1.00 0.00 S ATOM 0 H CYS A 733 7.930 6.389 2.400 1.00 0.00 H new ATOM 0 HA CYS A 733 7.200 7.428 5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.908 5.460 6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.616 5.005 5.139 1.00 0.00 H new ATOM 0 HG CYS A 733 9.597 4.569 3.708 1.00 0.00 H new ATOM 188 N GLU A 734 9.880 7.084 5.614 1.00 0.00 N ATOM 189 CA GLU A 734 11.275 7.486 5.733 1.00 0.00 C ATOM 190 C GLU A 734 12.136 6.318 6.201 1.00 0.00 C ATOM 191 O GLU A 734 13.048 6.488 7.010 1.00 0.00 O ATOM 192 CB GLU A 734 11.408 8.657 6.710 1.00 0.00 C ATOM 193 CG GLU A 734 11.099 10.009 6.086 1.00 0.00 C ATOM 194 CD GLU A 734 12.298 10.938 6.079 1.00 0.00 C ATOM 195 OE1 GLU A 734 13.313 10.592 5.439 1.00 0.00 O ATOM 196 OE2 GLU A 734 12.221 12.011 6.712 1.00 0.00 O ATOM 0 H GLU A 734 9.458 6.767 6.486 1.00 0.00 H new ATOM 0 HA GLU A 734 11.624 7.802 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.737 8.494 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.422 8.673 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.753 9.862 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 734 10.283 10.480 6.634 1.00 0.00 H new ATOM 203 N LEU A 735 11.838 5.130 5.685 1.00 0.00 N ATOM 204 CA LEU A 735 12.580 3.929 6.050 1.00 0.00 C ATOM 205 C LEU A 735 13.675 3.633 5.031 1.00 0.00 C ATOM 206 O LEU A 735 13.464 3.754 3.825 1.00 0.00 O ATOM 207 CB LEU A 735 11.631 2.732 6.155 1.00 0.00 C ATOM 208 CG LEU A 735 12.006 1.699 7.219 1.00 0.00 C ATOM 209 CD1 LEU A 735 13.282 0.969 6.829 1.00 0.00 C ATOM 210 CD2 LEU A 735 12.165 2.366 8.577 1.00 0.00 C ATOM 0 H LEU A 735 11.087 4.973 5.012 1.00 0.00 H new ATOM 0 HA LEU A 735 13.048 4.103 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.627 3.101 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.590 2.234 5.186 1.00 0.00 H new ATOM 0 HG LEU A 735 11.200 0.968 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 735 13.533 0.238 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 735 13.133 0.458 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 735 14.096 1.687 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.432 1.616 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 735 12.951 3.119 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.226 2.841 8.861 1.00 0.00 H new ATOM 222 N MET A 736 14.845 3.241 5.526 1.00 0.00 N ATOM 223 CA MET A 736 15.973 2.923 4.659 1.00 0.00 C ATOM 224 C MET A 736 16.147 1.413 4.539 1.00 0.00 C ATOM 225 O MET A 736 16.134 0.695 5.539 1.00 0.00 O ATOM 226 CB MET A 736 17.255 3.557 5.204 1.00 0.00 C ATOM 227 CG MET A 736 18.102 4.229 4.136 1.00 0.00 C ATOM 228 SD MET A 736 19.134 5.551 4.797 1.00 0.00 S ATOM 229 CE MET A 736 19.195 6.667 3.397 1.00 0.00 C ATOM 0 H MET A 736 15.036 3.136 6.522 1.00 0.00 H new ATOM 0 HA MET A 736 15.771 3.330 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 736 16.992 4.293 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.850 2.788 5.697 1.00 0.00 H new ATOM 0 HG2 MET A 736 18.737 3.483 3.658 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.450 4.635 3.363 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.800 7.537 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.638 6.155 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.185 6.989 3.144 1.00 0.00 H new ATOM 239 N PHE A 737 16.309 0.933 3.309 1.00 0.00 N ATOM 240 CA PHE A 737 16.480 -0.494 3.066 1.00 0.00 C ATOM 241 C PHE A 737 17.881 -0.796 2.532 1.00 0.00 C ATOM 242 O PHE A 737 18.453 -0.004 1.782 1.00 0.00 O ATOM 243 CB PHE A 737 15.419 -0.995 2.084 1.00 0.00 C ATOM 244 CG PHE A 737 14.022 -0.970 2.645 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.781 -1.350 3.957 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.952 -0.566 1.862 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.502 -1.327 4.476 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.668 -0.541 2.378 1.00 0.00 C ATOM 249 CZ PHE A 737 11.444 -0.922 3.686 1.00 0.00 C ATOM 0 H PHE A 737 16.325 1.510 2.468 1.00 0.00 H new ATOM 0 HA PHE A 737 16.359 -1.017 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.451 -0.383 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.664 -2.014 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.604 -1.668 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.122 -0.267 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.329 -1.626 5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.842 -0.224 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.443 -0.903 4.091 1.00 0.00 H new ATOM 259 N PRO A 738 18.456 -1.950 2.920 1.00 0.00 N ATOM 260 CA PRO A 738 19.799 -2.356 2.485 1.00 0.00 C ATOM 261 C PRO A 738 19.876 -2.611 0.982 1.00 0.00 C ATOM 262 O PRO A 738 18.868 -2.907 0.340 1.00 0.00 O ATOM 263 CB PRO A 738 20.053 -3.655 3.259 1.00 0.00 C ATOM 264 CG PRO A 738 18.698 -4.165 3.607 1.00 0.00 C ATOM 265 CD PRO A 738 17.844 -2.947 3.816 1.00 0.00 C ATOM 0 HA PRO A 738 20.536 -1.577 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.602 -4.375 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.648 -3.472 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.299 -4.790 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.730 -4.779 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.802 -3.136 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.859 -2.618 4.855 1.00 0.00 H new ATOM 273 N PRO A 739 21.085 -2.504 0.398 1.00 0.00 N ATOM 274 CA PRO A 739 21.294 -2.730 -1.037 1.00 0.00 C ATOM 275 C PRO A 739 20.895 -4.140 -1.460 1.00 0.00 C ATOM 276 O PRO A 739 20.533 -4.374 -2.613 1.00 0.00 O ATOM 277 CB PRO A 739 22.802 -2.520 -1.225 1.00 0.00 C ATOM 278 CG PRO A 739 23.388 -2.664 0.138 1.00 0.00 C ATOM 279 CD PRO A 739 22.340 -2.166 1.088 1.00 0.00 C ATOM 0 HA PRO A 739 20.684 -2.063 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.219 -3.255 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 739 23.014 -1.536 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.643 -3.703 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.307 -2.086 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.411 -2.654 2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.429 -1.094 1.262 1.00 0.00 H new ATOM 287 N ASN A 740 20.957 -5.073 -0.516 1.00 0.00 N ATOM 288 CA ASN A 740 20.596 -6.461 -0.787 1.00 0.00 C ATOM 289 C ASN A 740 19.111 -6.705 -0.517 1.00 0.00 C ATOM 290 O ASN A 740 18.664 -7.851 -0.452 1.00 0.00 O ATOM 291 CB ASN A 740 21.442 -7.405 0.070 1.00 0.00 C ATOM 292 CG ASN A 740 21.503 -8.806 -0.504 1.00 0.00 C ATOM 293 OD1 ASN A 740 20.607 -9.622 -0.282 1.00 0.00 O ATOM 294 ND2 ASN A 740 22.565 -9.096 -1.248 1.00 0.00 N ATOM 0 H ASN A 740 21.254 -4.894 0.443 1.00 0.00 H new ATOM 0 HA ASN A 740 20.791 -6.660 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.453 -7.006 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.029 -7.446 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 740 22.661 -10.024 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.284 -8.391 -1.407 1.00 0.00 H new ATOM 301 N TYR A 741 18.351 -5.623 -0.362 1.00 0.00 N ATOM 302 CA TYR A 741 16.921 -5.723 -0.099 1.00 0.00 C ATOM 303 C TYR A 741 16.166 -6.123 -1.362 1.00 0.00 C ATOM 304 O TYR A 741 16.308 -5.491 -2.409 1.00 0.00 O ATOM 305 CB TYR A 741 16.392 -4.387 0.426 1.00 0.00 C ATOM 306 CG TYR A 741 15.005 -4.469 1.023 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.876 -4.326 0.227 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.827 -4.684 2.384 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.609 -4.395 0.770 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.562 -4.756 2.934 1.00 0.00 C ATOM 311 CZ TYR A 741 12.456 -4.610 2.124 1.00 0.00 C ATOM 312 OH TYR A 741 11.195 -4.679 2.668 1.00 0.00 O ATOM 0 H TYR A 741 18.704 -4.667 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 741 16.762 -6.493 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.080 -4.006 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.383 -3.665 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.991 -4.158 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.691 -4.797 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.741 -4.281 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.440 -4.926 3.994 1.00 0.00 H new ATOM 0 HH TYR A 741 11.263 -4.836 3.633 1.00 0.00 H new ATOM 322 N ASP A 742 15.361 -7.175 -1.257 1.00 0.00 N ATOM 323 CA ASP A 742 14.585 -7.658 -2.392 1.00 0.00 C ATOM 324 C ASP A 742 13.506 -6.653 -2.776 1.00 0.00 C ATOM 325 O ASP A 742 12.745 -6.188 -1.927 1.00 0.00 O ATOM 326 CB ASP A 742 13.947 -9.009 -2.064 1.00 0.00 C ATOM 327 CG ASP A 742 13.678 -9.839 -3.306 1.00 0.00 C ATOM 328 OD1 ASP A 742 12.718 -9.517 -4.036 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.428 -10.808 -3.545 1.00 0.00 O ATOM 0 H ASP A 742 15.229 -7.709 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 742 15.261 -7.781 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.603 -9.565 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.011 -8.846 -1.530 1.00 0.00 H new ATOM 334 N GLN A 743 13.446 -6.319 -4.061 1.00 0.00 N ATOM 335 CA GLN A 743 12.461 -5.364 -4.557 1.00 0.00 C ATOM 336 C GLN A 743 11.044 -5.832 -4.248 1.00 0.00 C ATOM 337 O GLN A 743 10.178 -5.029 -3.903 1.00 0.00 O ATOM 338 CB GLN A 743 12.630 -5.163 -6.063 1.00 0.00 C ATOM 339 CG GLN A 743 12.634 -3.702 -6.485 1.00 0.00 C ATOM 340 CD GLN A 743 11.865 -3.465 -7.769 1.00 0.00 C ATOM 341 OE1 GLN A 743 12.442 -3.094 -8.792 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.555 -3.679 -7.724 1.00 0.00 N ATOM 0 H GLN A 743 14.067 -6.695 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 743 12.626 -4.413 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.564 -5.627 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.824 -5.681 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.201 -3.096 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.663 -3.368 -6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.118 -3.986 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.986 -3.536 -8.558 1.00 0.00 H new ATOM 351 N SER A 744 10.814 -7.136 -4.368 1.00 0.00 N ATOM 352 CA SER A 744 9.500 -7.705 -4.091 1.00 0.00 C ATOM 353 C SER A 744 9.038 -7.309 -2.695 1.00 0.00 C ATOM 354 O SER A 744 7.879 -6.940 -2.487 1.00 0.00 O ATOM 355 CB SER A 744 9.541 -9.229 -4.221 1.00 0.00 C ATOM 356 OG SER A 744 9.815 -9.621 -5.555 1.00 0.00 O ATOM 0 H SER A 744 11.518 -7.816 -4.654 1.00 0.00 H new ATOM 0 HA SER A 744 8.791 -7.312 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.304 -9.633 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.587 -9.650 -3.904 1.00 0.00 H new ATOM 0 HG SER A 744 9.837 -10.599 -5.610 1.00 0.00 H new ATOM 362 N LYS A 745 9.963 -7.362 -1.743 1.00 0.00 N ATOM 363 CA LYS A 745 9.662 -6.986 -0.372 1.00 0.00 C ATOM 364 C LYS A 745 9.365 -5.497 -0.314 1.00 0.00 C ATOM 365 O LYS A 745 8.510 -5.046 0.449 1.00 0.00 O ATOM 366 CB LYS A 745 10.833 -7.334 0.551 1.00 0.00 C ATOM 367 CG LYS A 745 10.469 -8.324 1.646 1.00 0.00 C ATOM 368 CD LYS A 745 9.492 -7.717 2.641 1.00 0.00 C ATOM 369 CE LYS A 745 8.836 -8.787 3.499 1.00 0.00 C ATOM 370 NZ LYS A 745 8.487 -8.277 4.854 1.00 0.00 N ATOM 0 H LYS A 745 10.926 -7.662 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 745 8.788 -7.542 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.646 -7.748 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.208 -6.419 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.029 -9.216 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.372 -8.640 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 745 10.016 -7.007 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 745 8.725 -7.158 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 745 7.934 -9.147 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 745 9.509 -9.639 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 8.042 -9.037 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 9.350 -7.957 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 7.824 -7.480 4.765 1.00 0.00 H new ATOM 384 N PHE A 746 10.074 -4.739 -1.145 1.00 0.00 N ATOM 385 CA PHE A 746 9.888 -3.301 -1.214 1.00 0.00 C ATOM 386 C PHE A 746 8.507 -2.991 -1.769 1.00 0.00 C ATOM 387 O PHE A 746 7.830 -2.078 -1.303 1.00 0.00 O ATOM 388 CB PHE A 746 10.966 -2.665 -2.092 1.00 0.00 C ATOM 389 CG PHE A 746 10.944 -1.162 -2.076 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.143 -0.467 -0.892 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.725 -0.444 -3.240 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.126 0.915 -0.872 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.706 0.939 -3.227 1.00 0.00 C ATOM 394 CZ PHE A 746 10.907 1.619 -2.040 1.00 0.00 C ATOM 0 H PHE A 746 10.784 -5.102 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 746 9.973 -2.884 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.945 -3.010 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.839 -3.011 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.313 -1.012 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.567 -0.971 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.284 1.444 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.535 1.487 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.893 2.699 -2.026 1.00 0.00 H new ATOM 404 N GLU A 747 8.087 -3.777 -2.755 1.00 0.00 N ATOM 405 CA GLU A 747 6.773 -3.607 -3.356 1.00 0.00 C ATOM 406 C GLU A 747 5.695 -3.824 -2.305 1.00 0.00 C ATOM 407 O GLU A 747 4.713 -3.085 -2.239 1.00 0.00 O ATOM 408 CB GLU A 747 6.583 -4.587 -4.517 1.00 0.00 C ATOM 409 CG GLU A 747 7.139 -4.081 -5.838 1.00 0.00 C ATOM 410 CD GLU A 747 7.107 -5.135 -6.926 1.00 0.00 C ATOM 411 OE1 GLU A 747 8.054 -5.945 -6.996 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.133 -5.151 -7.708 1.00 0.00 O ATOM 0 H GLU A 747 8.639 -4.537 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 747 6.694 -2.592 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.066 -5.531 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.520 -4.795 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.564 -3.213 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.166 -3.747 -5.691 1.00 0.00 H new ATOM 419 N GLU A 748 5.898 -4.844 -1.478 1.00 0.00 N ATOM 420 CA GLU A 748 4.957 -5.166 -0.411 1.00 0.00 C ATOM 421 C GLU A 748 4.934 -4.061 0.638 1.00 0.00 C ATOM 422 O GLU A 748 3.871 -3.638 1.088 1.00 0.00 O ATOM 423 CB GLU A 748 5.332 -6.496 0.243 1.00 0.00 C ATOM 424 CG GLU A 748 5.273 -7.681 -0.707 1.00 0.00 C ATOM 425 CD GLU A 748 3.852 -8.128 -0.995 1.00 0.00 C ATOM 426 OE1 GLU A 748 2.955 -7.260 -1.043 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.638 -9.345 -1.172 1.00 0.00 O ATOM 0 H GLU A 748 6.707 -5.463 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 748 3.962 -5.252 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.340 -6.419 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.661 -6.680 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 748 5.763 -7.416 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.832 -8.513 -0.279 1.00 0.00 H new ATOM 434 N HIS A 749 6.119 -3.596 1.015 1.00 0.00 N ATOM 435 CA HIS A 749 6.248 -2.530 2.004 1.00 0.00 C ATOM 436 C HIS A 749 5.601 -1.254 1.483 1.00 0.00 C ATOM 437 O HIS A 749 4.777 -0.640 2.161 1.00 0.00 O ATOM 438 CB HIS A 749 7.734 -2.318 2.330 1.00 0.00 C ATOM 439 CG HIS A 749 8.090 -0.936 2.784 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.181 -0.562 4.105 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.415 0.165 2.060 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.555 0.722 4.142 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.709 1.209 2.927 1.00 0.00 N ATOM 0 H HIS A 749 7.007 -3.941 0.650 1.00 0.00 H new ATOM 0 HA HIS A 749 5.732 -2.810 2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.025 -3.026 3.106 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.323 -2.556 1.444 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.996 -1.158 4.912 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.441 0.220 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.711 1.286 5.050 1.00 0.00 H new ATOM 451 N VAL A 750 5.956 -0.877 0.263 1.00 0.00 N ATOM 452 CA VAL A 750 5.388 0.307 -0.365 1.00 0.00 C ATOM 453 C VAL A 750 3.869 0.179 -0.428 1.00 0.00 C ATOM 454 O VAL A 750 3.139 1.139 -0.178 1.00 0.00 O ATOM 455 CB VAL A 750 5.946 0.504 -1.790 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.206 1.616 -2.524 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.440 0.787 -1.740 1.00 0.00 C ATOM 0 H VAL A 750 6.636 -1.375 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 750 5.663 1.174 0.236 1.00 0.00 H new ATOM 0 HB VAL A 750 5.788 -0.420 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.622 1.731 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.148 1.362 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.318 2.551 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.819 0.924 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.620 1.692 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.954 -0.052 -1.271 1.00 0.00 H new ATOM 467 N GLU A 751 3.406 -1.024 -0.756 1.00 0.00 N ATOM 468 CA GLU A 751 1.977 -1.301 -0.844 1.00 0.00 C ATOM 469 C GLU A 751 1.346 -1.321 0.543 1.00 0.00 C ATOM 470 O GLU A 751 0.152 -1.067 0.696 1.00 0.00 O ATOM 471 CB GLU A 751 1.739 -2.639 -1.546 1.00 0.00 C ATOM 472 CG GLU A 751 2.121 -2.632 -3.018 1.00 0.00 C ATOM 473 CD GLU A 751 2.453 -4.015 -3.540 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.799 -4.892 -2.722 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.366 -4.222 -4.769 1.00 0.00 O ATOM 0 H GLU A 751 4.003 -1.824 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 751 1.510 -0.507 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.310 -3.414 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.686 -2.906 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.300 -2.215 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.980 -1.977 -3.164 1.00 0.00 H new ATOM 482 N SER A 752 2.154 -1.622 1.557 1.00 0.00 N ATOM 483 CA SER A 752 1.667 -1.665 2.930 1.00 0.00 C ATOM 484 C SER A 752 1.028 -0.335 3.305 1.00 0.00 C ATOM 485 O SER A 752 0.006 -0.293 3.990 1.00 0.00 O ATOM 486 CB SER A 752 2.812 -1.988 3.891 1.00 0.00 C ATOM 487 OG SER A 752 2.325 -2.244 5.197 1.00 0.00 O ATOM 0 H SER A 752 3.145 -1.839 1.453 1.00 0.00 H new ATOM 0 HA SER A 752 0.915 -2.450 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.362 -2.856 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.514 -1.155 3.918 1.00 0.00 H new ATOM 0 HG SER A 752 3.076 -2.449 5.792 1.00 0.00 H new ATOM 493 N HIS A 753 1.637 0.751 2.842 1.00 0.00 N ATOM 494 CA HIS A 753 1.125 2.091 3.120 1.00 0.00 C ATOM 495 C HIS A 753 -0.141 2.375 2.315 1.00 0.00 C ATOM 496 O HIS A 753 -0.957 3.212 2.700 1.00 0.00 O ATOM 497 CB HIS A 753 2.178 3.148 2.790 1.00 0.00 C ATOM 498 CG HIS A 753 3.537 2.838 3.330 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.957 3.187 4.592 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.585 2.204 2.746 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.218 2.767 4.736 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.647 2.161 3.646 1.00 0.00 N ATOM 0 H HIS A 753 2.484 0.732 2.274 1.00 0.00 H new ATOM 0 HA HIS A 753 0.886 2.136 4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.244 3.256 1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.851 4.109 3.187 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.404 3.679 5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.594 1.798 1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.809 2.906 5.629 1.00 0.00 H new ATOM 510 N TRP A 754 -0.297 1.680 1.192 1.00 0.00 N ATOM 511 CA TRP A 754 -1.461 1.865 0.334 1.00 0.00 C ATOM 512 C TRP A 754 -2.739 1.437 1.043 1.00 0.00 C ATOM 513 O TRP A 754 -2.705 0.645 1.984 1.00 0.00 O ATOM 514 CB TRP A 754 -1.302 1.067 -0.960 1.00 0.00 C ATOM 515 CG TRP A 754 -0.361 1.696 -1.940 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.703 2.501 -1.658 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.406 1.571 -3.362 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.324 2.884 -2.823 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.661 2.326 -3.884 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.246 0.893 -4.243 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.907 2.419 -5.252 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.002 0.984 -5.600 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.066 1.742 -6.094 1.00 0.00 C ATOM 0 H TRP A 754 0.368 0.984 0.856 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.533 2.926 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.946 0.066 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.279 0.953 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.012 2.794 -0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.145 3.486 -2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.073 0.307 -3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.731 3.004 -5.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.646 0.461 -6.291 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.230 1.794 -7.160 1.00 0.00 H new ATOM 534 N LYS A 755 -3.869 1.954 0.572 1.00 0.00 N ATOM 535 CA LYS A 755 -5.162 1.611 1.149 1.00 0.00 C ATOM 536 C LYS A 755 -5.657 0.304 0.550 1.00 0.00 C ATOM 537 O LYS A 755 -5.933 0.235 -0.641 1.00 0.00 O ATOM 538 CB LYS A 755 -6.175 2.727 0.883 1.00 0.00 C ATOM 539 CG LYS A 755 -6.123 3.854 1.901 1.00 0.00 C ATOM 540 CD LYS A 755 -6.590 5.168 1.295 1.00 0.00 C ATOM 541 CE LYS A 755 -6.775 6.236 2.360 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.524 7.009 2.595 1.00 0.00 N ATOM 0 H LYS A 755 -3.915 2.611 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.050 1.494 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.997 3.138 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.178 2.301 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.749 3.603 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.104 3.964 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.863 5.509 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -7.531 5.013 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.571 6.917 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.093 5.768 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.692 7.727 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.771 6.364 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.234 7.477 1.712 1.00 0.00 H new ATOM 556 N VAL A 756 -5.750 -0.737 1.367 1.00 0.00 N ATOM 557 CA VAL A 756 -6.193 -2.034 0.874 1.00 0.00 C ATOM 558 C VAL A 756 -7.440 -2.529 1.588 1.00 0.00 C ATOM 559 O VAL A 756 -7.536 -2.486 2.814 1.00 0.00 O ATOM 560 CB VAL A 756 -5.085 -3.094 1.010 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.512 -4.409 0.372 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.800 -2.588 0.386 1.00 0.00 C ATOM 0 H VAL A 756 -5.528 -0.710 2.362 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.432 -1.889 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.909 -3.277 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.713 -5.142 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.412 -4.777 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.717 -4.250 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.023 -3.346 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.966 -2.379 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.485 -1.675 0.891 1.00 0.00 H new ATOM 572 N CYS A 757 -8.387 -3.018 0.798 1.00 0.00 N ATOM 573 CA CYS A 757 -9.635 -3.549 1.327 1.00 0.00 C ATOM 574 C CYS A 757 -9.404 -4.938 1.923 1.00 0.00 C ATOM 575 O CYS A 757 -8.788 -5.795 1.290 1.00 0.00 O ATOM 576 CB CYS A 757 -10.688 -3.618 0.221 1.00 0.00 C ATOM 577 SG CYS A 757 -12.324 -4.135 0.790 1.00 0.00 S ATOM 0 H CYS A 757 -8.313 -3.058 -0.219 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.995 -2.885 2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.771 -2.638 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.347 -4.311 -0.548 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.647 -5.257 0.219 1.00 0.00 H new ATOM 582 N PRO A 758 -9.877 -5.181 3.159 1.00 0.00 N ATOM 583 CA PRO A 758 -9.698 -6.463 3.835 1.00 0.00 C ATOM 584 C PRO A 758 -10.797 -7.476 3.517 1.00 0.00 C ATOM 585 O PRO A 758 -10.702 -8.640 3.906 1.00 0.00 O ATOM 586 CB PRO A 758 -9.753 -6.064 5.305 1.00 0.00 C ATOM 587 CG PRO A 758 -10.702 -4.912 5.346 1.00 0.00 C ATOM 588 CD PRO A 758 -10.608 -4.219 4.006 1.00 0.00 C ATOM 0 HA PRO A 758 -8.779 -6.962 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.103 -6.888 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.768 -5.780 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.719 -5.256 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.444 -4.227 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.595 -3.999 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.077 -3.270 4.083 1.00 0.00 H new ATOM 596 N MET A 759 -11.840 -7.035 2.822 1.00 0.00 N ATOM 597 CA MET A 759 -12.945 -7.923 2.477 1.00 0.00 C ATOM 598 C MET A 759 -12.679 -8.669 1.172 1.00 0.00 C ATOM 599 O MET A 759 -13.198 -9.766 0.960 1.00 0.00 O ATOM 600 CB MET A 759 -14.249 -7.130 2.378 1.00 0.00 C ATOM 601 CG MET A 759 -14.696 -6.535 3.705 1.00 0.00 C ATOM 602 SD MET A 759 -14.869 -7.777 5.002 1.00 0.00 S ATOM 603 CE MET A 759 -14.499 -6.801 6.456 1.00 0.00 C ATOM 0 H MET A 759 -11.944 -6.077 2.489 1.00 0.00 H new ATOM 0 HA MET A 759 -13.037 -8.665 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.123 -6.327 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.035 -7.783 1.998 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.974 -5.782 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.649 -6.025 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 759 -13.953 -7.412 7.175 1.00 0.00 H new ATOM 0 HE2 MET A 759 -13.890 -5.942 6.173 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.428 -6.454 6.907 1.00 0.00 H new ATOM 613 N CYS A 760 -11.870 -8.077 0.299 1.00 0.00 N ATOM 614 CA CYS A 760 -11.542 -8.705 -0.981 1.00 0.00 C ATOM 615 C CYS A 760 -10.033 -8.720 -1.232 1.00 0.00 C ATOM 616 O CYS A 760 -9.528 -9.595 -1.935 1.00 0.00 O ATOM 617 CB CYS A 760 -12.256 -7.985 -2.125 1.00 0.00 C ATOM 618 SG CYS A 760 -11.625 -6.328 -2.462 1.00 0.00 S ATOM 0 H CYS A 760 -11.431 -7.169 0.451 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.885 -9.739 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.168 -8.587 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.318 -7.917 -1.890 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.510 -5.446 -2.104 1.00 0.00 H new ATOM 623 N SER A 761 -9.323 -7.750 -0.651 1.00 0.00 N ATOM 624 CA SER A 761 -7.866 -7.640 -0.796 1.00 0.00 C ATOM 625 C SER A 761 -7.476 -6.812 -2.020 1.00 0.00 C ATOM 626 O SER A 761 -6.560 -7.174 -2.759 1.00 0.00 O ATOM 627 CB SER A 761 -7.211 -9.023 -0.873 1.00 0.00 C ATOM 628 OG SER A 761 -5.985 -9.048 -0.162 1.00 0.00 O ATOM 0 H SER A 761 -9.737 -7.022 -0.070 1.00 0.00 H new ATOM 0 HA SER A 761 -7.500 -7.125 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.888 -9.773 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.036 -9.288 -1.916 1.00 0.00 H new ATOM 0 HG SER A 761 -5.588 -9.942 -0.225 1.00 0.00 H new ATOM 634 N GLU A 762 -8.158 -5.687 -2.218 1.00 0.00 N ATOM 635 CA GLU A 762 -7.859 -4.798 -3.340 1.00 0.00 C ATOM 636 C GLU A 762 -6.871 -3.730 -2.903 1.00 0.00 C ATOM 637 O GLU A 762 -6.878 -3.313 -1.747 1.00 0.00 O ATOM 638 CB GLU A 762 -9.135 -4.136 -3.866 1.00 0.00 C ATOM 639 CG GLU A 762 -9.264 -4.185 -5.380 1.00 0.00 C ATOM 640 CD GLU A 762 -8.462 -3.098 -6.067 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.901 -1.929 -6.044 1.00 0.00 O ATOM 642 OE2 GLU A 762 -7.392 -3.416 -6.631 1.00 0.00 O ATOM 0 H GLU A 762 -8.920 -5.369 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.422 -5.393 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.000 -4.627 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.156 -3.096 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -8.931 -5.159 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.314 -4.086 -5.655 1.00 0.00 H new ATOM 649 N GLN A 763 -6.023 -3.283 -3.822 1.00 0.00 N ATOM 650 CA GLN A 763 -5.048 -2.258 -3.485 1.00 0.00 C ATOM 651 C GLN A 763 -5.445 -0.913 -4.076 1.00 0.00 C ATOM 652 O GLN A 763 -5.758 -0.803 -5.262 1.00 0.00 O ATOM 653 CB GLN A 763 -3.661 -2.660 -3.992 1.00 0.00 C ATOM 654 CG GLN A 763 -2.785 -3.302 -2.929 1.00 0.00 C ATOM 655 CD GLN A 763 -1.343 -2.842 -3.005 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.451 -3.613 -3.358 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.105 -1.577 -2.672 1.00 0.00 N ATOM 0 H GLN A 763 -5.991 -3.608 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.019 -2.163 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.775 -3.355 -4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.156 -1.776 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.186 -3.067 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.823 -4.386 -3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.874 -0.972 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.153 -1.212 -2.704 1.00 0.00 H new ATOM 666 N PHE A 764 -5.412 0.105 -3.232 1.00 0.00 N ATOM 667 CA PHE A 764 -5.747 1.465 -3.636 1.00 0.00 C ATOM 668 C PHE A 764 -4.553 2.400 -3.439 1.00 0.00 C ATOM 669 O PHE A 764 -4.093 2.590 -2.311 1.00 0.00 O ATOM 670 CB PHE A 764 -6.952 1.975 -2.841 1.00 0.00 C ATOM 671 CG PHE A 764 -8.198 1.164 -3.060 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.431 0.012 -2.324 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.137 1.553 -4.002 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.574 -0.735 -2.523 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.282 0.808 -4.206 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.501 -0.338 -3.465 1.00 0.00 C ATOM 0 H PHE A 764 -5.153 0.015 -2.249 1.00 0.00 H new ATOM 0 HA PHE A 764 -6.003 1.452 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.706 1.970 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.148 3.011 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.709 -0.304 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.972 2.448 -4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.743 -1.630 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -11.006 1.121 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.396 -0.922 -3.623 1.00 0.00 H new ATOM 686 N PRO A 765 -4.031 3.001 -4.524 1.00 0.00 N ATOM 687 CA PRO A 765 -2.888 3.916 -4.436 1.00 0.00 C ATOM 688 C PRO A 765 -3.176 5.104 -3.519 1.00 0.00 C ATOM 689 O PRO A 765 -4.326 5.512 -3.364 1.00 0.00 O ATOM 690 CB PRO A 765 -2.690 4.393 -5.879 1.00 0.00 C ATOM 691 CG PRO A 765 -3.350 3.357 -6.721 1.00 0.00 C ATOM 692 CD PRO A 765 -4.503 2.840 -5.910 1.00 0.00 C ATOM 0 HA PRO A 765 -2.009 3.429 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.139 5.374 -6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.632 4.484 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.695 3.782 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.655 2.554 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.414 3.409 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.725 1.799 -6.142 1.00 0.00 H new ATOM 700 N PRO A 766 -2.129 5.674 -2.897 1.00 0.00 N ATOM 701 CA PRO A 766 -2.277 6.817 -1.989 1.00 0.00 C ATOM 702 C PRO A 766 -3.029 7.978 -2.631 1.00 0.00 C ATOM 703 O PRO A 766 -3.596 8.822 -1.937 1.00 0.00 O ATOM 704 CB PRO A 766 -0.833 7.221 -1.682 1.00 0.00 C ATOM 705 CG PRO A 766 -0.036 5.984 -1.909 1.00 0.00 C ATOM 706 CD PRO A 766 -0.723 5.248 -3.024 1.00 0.00 C ATOM 0 HA PRO A 766 -2.858 6.557 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.502 8.030 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.731 7.575 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.992 6.226 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 766 0.005 5.375 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.309 5.514 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.619 4.168 -2.917 1.00 0.00 H new ATOM 714 N ASP A 767 -3.030 8.018 -3.960 1.00 0.00 N ATOM 715 CA ASP A 767 -3.714 9.079 -4.691 1.00 0.00 C ATOM 716 C ASP A 767 -5.208 8.790 -4.813 1.00 0.00 C ATOM 717 O ASP A 767 -5.988 9.663 -5.197 1.00 0.00 O ATOM 718 CB ASP A 767 -3.101 9.242 -6.083 1.00 0.00 C ATOM 719 CG ASP A 767 -1.620 9.566 -6.028 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.991 9.298 -4.982 1.00 0.00 O ATOM 721 OD2 ASP A 767 -1.089 10.087 -7.031 1.00 0.00 O ATOM 0 H ASP A 767 -2.566 7.329 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.589 10.006 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -3.248 8.324 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.624 10.035 -6.617 1.00 0.00 H new ATOM 726 N TYR A 768 -5.607 7.563 -4.483 1.00 0.00 N ATOM 727 CA TYR A 768 -7.007 7.169 -4.556 1.00 0.00 C ATOM 728 C TYR A 768 -7.838 7.914 -3.516 1.00 0.00 C ATOM 729 O TYR A 768 -7.397 8.112 -2.383 1.00 0.00 O ATOM 730 CB TYR A 768 -7.147 5.660 -4.345 1.00 0.00 C ATOM 731 CG TYR A 768 -8.225 5.028 -5.195 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.949 4.582 -6.482 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.518 4.876 -4.711 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.932 4.004 -7.263 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.506 4.299 -5.486 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.209 3.864 -6.759 1.00 0.00 C ATOM 737 OH TYR A 768 -11.190 3.290 -7.534 1.00 0.00 O ATOM 0 H TYR A 768 -4.978 6.827 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.378 7.428 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.193 5.181 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.364 5.467 -3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.950 4.689 -6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.755 5.214 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.702 3.664 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.507 4.190 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 768 -12.031 3.265 -7.032 1.00 0.00 H new ATOM 747 N ASP A 769 -9.040 8.320 -3.907 1.00 0.00 N ATOM 748 CA ASP A 769 -9.931 9.038 -3.004 1.00 0.00 C ATOM 749 C ASP A 769 -10.425 8.119 -1.894 1.00 0.00 C ATOM 750 O ASP A 769 -11.007 7.066 -2.158 1.00 0.00 O ATOM 751 CB ASP A 769 -11.121 9.611 -3.777 1.00 0.00 C ATOM 752 CG ASP A 769 -11.569 10.954 -3.233 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.697 11.805 -2.963 1.00 0.00 O ATOM 754 OD2 ASP A 769 -12.793 11.153 -3.079 1.00 0.00 O ATOM 0 H ASP A 769 -9.419 8.165 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.373 9.859 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.851 9.719 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.953 8.908 -3.732 1.00 0.00 H new ATOM 759 N GLN A 770 -10.189 8.520 -0.648 1.00 0.00 N ATOM 760 CA GLN A 770 -10.608 7.728 0.503 1.00 0.00 C ATOM 761 C GLN A 770 -12.107 7.453 0.459 1.00 0.00 C ATOM 762 O GLN A 770 -12.565 6.387 0.869 1.00 0.00 O ATOM 763 CB GLN A 770 -10.246 8.447 1.804 1.00 0.00 C ATOM 764 CG GLN A 770 -10.625 7.671 3.055 1.00 0.00 C ATOM 765 CD GLN A 770 -9.426 7.034 3.731 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.425 7.696 3.999 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.525 5.739 4.009 1.00 0.00 N ATOM 0 H GLN A 770 -9.710 9.389 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.082 6.774 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.173 8.639 1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.743 9.417 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.120 8.341 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.345 6.895 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.375 5.229 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.751 5.254 4.463 1.00 0.00 H new ATOM 776 N GLN A 771 -12.867 8.419 -0.046 1.00 0.00 N ATOM 777 CA GLN A 771 -14.315 8.273 -0.147 1.00 0.00 C ATOM 778 C GLN A 771 -14.669 7.091 -1.041 1.00 0.00 C ATOM 779 O GLN A 771 -15.522 6.271 -0.698 1.00 0.00 O ATOM 780 CB GLN A 771 -14.941 9.555 -0.699 1.00 0.00 C ATOM 781 CG GLN A 771 -16.458 9.500 -0.790 1.00 0.00 C ATOM 782 CD GLN A 771 -17.045 10.723 -1.469 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.347 10.701 -2.661 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.209 11.800 -0.708 1.00 0.00 N ATOM 0 H GLN A 771 -12.506 9.309 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.714 8.089 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.653 10.393 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.533 9.752 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.753 8.606 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.876 9.410 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.945 11.774 0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.599 12.653 -1.109 1.00 0.00 H new ATOM 793 N VAL A 772 -13.998 7.004 -2.185 1.00 0.00 N ATOM 794 CA VAL A 772 -14.233 5.915 -3.123 1.00 0.00 C ATOM 795 C VAL A 772 -13.810 4.586 -2.513 1.00 0.00 C ATOM 796 O VAL A 772 -14.500 3.577 -2.656 1.00 0.00 O ATOM 797 CB VAL A 772 -13.468 6.130 -4.444 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.854 5.069 -5.464 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.727 7.526 -4.992 1.00 0.00 C ATOM 0 H VAL A 772 -13.289 7.674 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.302 5.899 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.401 6.037 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.304 5.237 -6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.611 4.082 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.924 5.127 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -13.178 7.658 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.794 7.652 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.395 8.269 -4.267 1.00 0.00 H new ATOM 809 N PHE A 773 -12.673 4.596 -1.824 1.00 0.00 N ATOM 810 CA PHE A 773 -12.162 3.393 -1.182 1.00 0.00 C ATOM 811 C PHE A 773 -13.131 2.916 -0.106 1.00 0.00 C ATOM 812 O PHE A 773 -13.540 1.756 -0.098 1.00 0.00 O ATOM 813 CB PHE A 773 -10.787 3.662 -0.565 1.00 0.00 C ATOM 814 CG PHE A 773 -10.316 2.567 0.350 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.297 1.247 -0.076 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.897 2.858 1.638 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.868 0.239 0.767 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.467 1.854 2.485 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.453 0.544 2.049 1.00 0.00 C ATOM 0 H PHE A 773 -12.090 5.423 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.062 2.614 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.058 3.795 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.824 4.599 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.621 1.004 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.906 3.881 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.857 -0.785 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.142 2.094 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.118 -0.242 2.710 1.00 0.00 H new ATOM 829 N GLU A 774 -13.502 3.822 0.795 1.00 0.00 N ATOM 830 CA GLU A 774 -14.431 3.491 1.867 1.00 0.00 C ATOM 831 C GLU A 774 -15.725 2.939 1.284 1.00 0.00 C ATOM 832 O GLU A 774 -16.335 2.032 1.846 1.00 0.00 O ATOM 833 CB GLU A 774 -14.720 4.717 2.731 1.00 0.00 C ATOM 834 CG GLU A 774 -13.569 5.102 3.646 1.00 0.00 C ATOM 835 CD GLU A 774 -13.613 6.560 4.056 1.00 0.00 C ATOM 836 OE1 GLU A 774 -13.971 7.406 3.209 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.289 6.858 5.226 1.00 0.00 O ATOM 0 H GLU A 774 -13.174 4.788 0.803 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.973 2.729 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.955 5.561 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.605 4.524 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.594 4.477 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.625 4.899 3.141 1.00 0.00 H new ATOM 844 N ARG A 775 -16.127 3.484 0.140 1.00 0.00 N ATOM 845 CA ARG A 775 -17.335 3.031 -0.534 1.00 0.00 C ATOM 846 C ARG A 775 -17.165 1.583 -0.982 1.00 0.00 C ATOM 847 O ARG A 775 -18.071 0.762 -0.839 1.00 0.00 O ATOM 848 CB ARG A 775 -17.631 3.923 -1.742 1.00 0.00 C ATOM 849 CG ARG A 775 -18.820 4.848 -1.541 1.00 0.00 C ATOM 850 CD ARG A 775 -19.975 4.479 -2.459 1.00 0.00 C ATOM 851 NE ARG A 775 -19.953 5.246 -3.701 1.00 0.00 N ATOM 852 CZ ARG A 775 -21.003 5.378 -4.511 1.00 0.00 C ATOM 853 NH1 ARG A 775 -22.159 4.797 -4.210 1.00 0.00 N ATOM 854 NH2 ARG A 775 -20.898 6.092 -5.622 1.00 0.00 N ATOM 0 H ARG A 775 -15.634 4.238 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.173 3.093 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.749 4.523 -1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.815 3.292 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -19.149 4.799 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.517 5.878 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -19.929 3.415 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -20.919 4.653 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.083 5.708 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -22.246 4.247 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -22.960 4.901 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -20.013 6.541 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -21.702 6.193 -6.241 1.00 0.00 H new ATOM 868 N HIS A 776 -15.985 1.284 -1.517 1.00 0.00 N ATOM 869 CA HIS A 776 -15.667 -0.058 -1.989 1.00 0.00 C ATOM 870 C HIS A 776 -15.587 -1.037 -0.821 1.00 0.00 C ATOM 871 O HIS A 776 -16.167 -2.120 -0.866 1.00 0.00 O ATOM 872 CB HIS A 776 -14.341 -0.041 -2.755 1.00 0.00 C ATOM 873 CG HIS A 776 -13.648 -1.370 -2.811 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.733 -2.237 -3.877 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.841 -1.975 -1.900 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.993 -3.315 -3.587 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.430 -3.203 -2.402 1.00 0.00 N ATOM 0 H HIS A 776 -15.229 1.959 -1.635 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.462 -0.388 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.526 0.303 -3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.674 0.685 -2.289 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.264 -2.085 -4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.564 -1.566 -0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.873 -4.166 -4.241 1.00 0.00 H new ATOM 885 N VAL A 777 -14.864 -0.653 0.222 1.00 0.00 N ATOM 886 CA VAL A 777 -14.725 -1.510 1.391 1.00 0.00 C ATOM 887 C VAL A 777 -16.080 -1.703 2.054 1.00 0.00 C ATOM 888 O VAL A 777 -16.502 -2.827 2.317 1.00 0.00 O ATOM 889 CB VAL A 777 -13.733 -0.948 2.428 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.118 -2.079 3.236 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.645 -0.122 1.762 1.00 0.00 C ATOM 0 H VAL A 777 -14.369 0.237 0.283 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.330 -2.463 1.038 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.286 -0.292 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.419 -1.668 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.905 -2.625 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.588 -2.757 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.962 0.260 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.094 -0.746 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.098 0.714 1.228 1.00 0.00 H new ATOM 901 N GLN A 778 -16.764 -0.588 2.302 1.00 0.00 N ATOM 902 CA GLN A 778 -18.085 -0.613 2.916 1.00 0.00 C ATOM 903 C GLN A 778 -19.041 -1.460 2.086 1.00 0.00 C ATOM 904 O GLN A 778 -19.948 -2.099 2.621 1.00 0.00 O ATOM 905 CB GLN A 778 -18.632 0.808 3.050 1.00 0.00 C ATOM 906 CG GLN A 778 -17.985 1.608 4.168 1.00 0.00 C ATOM 907 CD GLN A 778 -18.170 0.964 5.527 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.086 1.310 6.272 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.297 0.020 5.856 1.00 0.00 N ATOM 0 H GLN A 778 -16.421 0.348 2.085 1.00 0.00 H new ATOM 0 HA GLN A 778 -17.996 -1.054 3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.486 1.335 2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.707 0.759 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -16.920 1.716 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.410 2.612 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.553 -0.235 5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.370 -0.450 6.758 1.00 0.00 H new ATOM 918 N THR A 779 -18.824 -1.465 0.774 1.00 0.00 N ATOM 919 CA THR A 779 -19.656 -2.239 -0.137 1.00 0.00 C ATOM 920 C THR A 779 -19.604 -3.723 0.223 1.00 0.00 C ATOM 921 O THR A 779 -20.532 -4.477 -0.068 1.00 0.00 O ATOM 922 CB THR A 779 -19.199 -2.011 -1.584 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.631 -0.746 -2.049 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.705 -3.050 -2.563 1.00 0.00 C ATOM 0 H THR A 779 -18.077 -0.940 0.319 1.00 0.00 H new ATOM 0 HA THR A 779 -20.690 -1.906 -0.043 1.00 0.00 H new ATOM 0 HB THR A 779 -18.112 -2.080 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 779 -18.877 -0.120 -2.043 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.338 -2.817 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.347 -4.035 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.795 -3.046 -2.567 1.00 0.00 H new ATOM 932 N HIS A 780 -18.511 -4.130 0.858 1.00 0.00 N ATOM 933 CA HIS A 780 -18.326 -5.518 1.260 1.00 0.00 C ATOM 934 C HIS A 780 -19.075 -5.835 2.555 1.00 0.00 C ATOM 935 O HIS A 780 -19.237 -7.001 2.914 1.00 0.00 O ATOM 936 CB HIS A 780 -16.837 -5.809 1.432 1.00 0.00 C ATOM 937 CG HIS A 780 -16.088 -5.823 0.138 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.152 -6.852 -0.774 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.256 -4.895 -0.401 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.376 -6.526 -1.816 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.811 -5.348 -1.639 1.00 0.00 N ATOM 0 H HIS A 780 -17.736 -3.515 1.106 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.737 -6.154 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.400 -5.058 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.716 -6.774 1.925 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.694 -7.710 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.983 -3.956 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.232 -7.147 -2.688 1.00 0.00 H new ATOM 949 N PHE A 781 -19.535 -4.798 3.253 1.00 0.00 N ATOM 950 CA PHE A 781 -20.268 -4.986 4.501 1.00 0.00 C ATOM 951 C PHE A 781 -21.767 -5.064 4.237 1.00 0.00 C ATOM 952 O PHE A 781 -22.507 -5.703 4.986 1.00 0.00 O ATOM 953 CB PHE A 781 -19.968 -3.845 5.476 1.00 0.00 C ATOM 954 CG PHE A 781 -18.508 -3.694 5.790 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.629 -3.234 4.828 1.00 0.00 C ATOM 956 CD2 PHE A 781 -18.015 -4.008 7.047 1.00 0.00 C ATOM 957 CE1 PHE A 781 -16.285 -3.088 5.106 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.670 -3.867 7.334 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.804 -3.406 6.362 1.00 0.00 C ATOM 0 H PHE A 781 -19.413 -3.824 2.976 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.942 -5.925 4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.339 -2.911 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.515 -4.017 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.999 -2.985 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.689 -4.367 7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.611 -2.726 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.297 -4.117 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.753 -3.294 6.583 1.00 0.00 H new ATOM 969 N ASP A 782 -22.208 -4.414 3.165 1.00 0.00 N ATOM 970 CA ASP A 782 -23.619 -4.414 2.797 1.00 0.00 C ATOM 971 C ASP A 782 -23.952 -5.594 1.884 1.00 0.00 C ATOM 972 O ASP A 782 -25.112 -5.805 1.529 1.00 0.00 O ATOM 973 CB ASP A 782 -23.987 -3.101 2.105 1.00 0.00 C ATOM 974 CG ASP A 782 -25.403 -2.659 2.418 1.00 0.00 C ATOM 975 OD1 ASP A 782 -26.301 -3.527 2.453 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.615 -1.446 2.627 1.00 0.00 O ATOM 0 H ASP A 782 -21.608 -3.880 2.536 1.00 0.00 H new ATOM 0 HA ASP A 782 -24.203 -4.514 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.290 -2.323 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.876 -3.218 1.027 1.00 0.00 H new